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Acta Crystallogr Sect E Struct Rep Online. 2008 January 1; 64(Pt 1): m164–m165.
Published online 2007 December 12. doi:  10.1107/S1600536807065105
PMCID: PMC2915101

{1-[1-(3-Carboxy­propanamido)eth­yl]-1′,2-bis­(diphenyl­phosphino)ferrocene-κ2 P,P′}dichloridoplatinum(II) dichloro­methane 1.25-solvate

Abstract

The dinuclear title compound, [FePtCl2(C17H14P)(C23H23NO3P)]·1.25CH2Cl2, has a slightly distorted cis-PtCl2P2 square-planar geometry around the Pt atom, and the ferrocenylphosphine ligands are staggered at an angle of 29.4 (2)° about Pt. In the crystal structure, the complex forms centrosymmetric dimers via two strong inter­molecular O—H(...)O bonds resulting in R 2 2(8) rings. A weak intra­molecular N—H(...)Cl bond leads to an S(8) motif. The solvent is highly disordered and has not been modelled with discrete atoms.

Related literature

For background, see: Beagley et al. (2003 [triangle]); Bernstein et al. (1995 [triangle]); Bjelosevic et al. (2006 [triangle]); Clemente et al. (1986 [triangle]); Fouda et al. (2007 [triangle]); Spencer & Bjelosevic (2007 [triangle]); Top et al. (2003 [triangle]); Van Staveren & Metzler-Nolte (2004 [triangle]). For disordered solvent treatment, see: Spek (1983 [triangle]). Related structures were found from the Cambridge Structural Database (Allen, 2002 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-0m164-scheme1.jpg

Experimental

Crystal data

  • [FePtCl2(C17H14P)(C23H23NO3P)]·1.25CH2Cl2
  • M r = 1069.64
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-0m164-efi1.jpg
  • a = 13.0154 (8) Å
  • b = 15.7866 (10) Å
  • c = 19.3403 (12) Å
  • β = 100.916 (1)°
  • V = 3901.9 (4) Å3
  • Z = 4
  • Mo- Kα radiation
  • μ = 4.39 mm−1
  • T = 100 (2) K
  • 0.35 × 0.33 × 0.30 mm

Data collection

  • Bruker SMART 1K CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 2003 [triangle]) T min = 0.309, T max = 0.353 (expected range = 0.235–0.268)
  • 56419 measured reflections
  • 10833 independent reflections
  • 9395 reflections with I > 2σ(I)
  • R int = 0.036

Refinement

  • R[F 2 > 2σ(F 2)] = 0.025
  • wR(F 2) = 0.065
  • S = 1.08
  • 10833 reflections
  • 453 parameters
  • H-atom parameters constrained
  • Δρmax = 1.45 e Å−3
  • Δρmin = −0.49 e Å−3

Data collection: SMART (Bruker, 2003 [triangle]); cell refinement: SAINT (Bruker, 2003 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2003 [triangle]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL, PLATON (Spek, 2003 [triangle]), publCIF (Westrip, 2007 [triangle]) and modiCIFer (Guzei, 2007 [triangle]).

Table 1
Selected bond lengths (Å)
Table 2
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807065105/hb2623sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807065105/hb2623Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

Financial support from SIDA/NRF Swedish Research Links (to SKCE and JD: Platinum group metals: synthesis, catalytic and medicinal properties) is gratefully acknowledged. The authors thank Dr Ilia Guzei for his help and guidance in solving the structure and preparing the manuscript.

supplementary crystallographic information

Comment

Many ferrocenyl compounds have found interesting biological applications (Fouda et al., 2007). With the rapid growth of bioorganometallic chemistry, the number of bioconjugates of ferrocene with proteins, DNA, RNA, carbohydrates, hormones etc. are increasing (Van Staveren & Metzler-Nolte, 2004). The electrochemical properties of ferrocene seem to improve the biological applications of already existing drugs (Beagley et al., 2003, Top et al., 2003).

Here we report the title compound, (I), a solvated platinum(II) complex with substituted 1,1'-bis(diphenylphosphino)ferrocene. The substituent is aimed to act as a linker arm with polar functionalities in order to increase the solubility of the compound in polar solvents. The carboxylic acid moiety is likely to facilitate further functionalization towards the synthesis of biologically active molecules.

The geometry around atom Pt1 in (I) is a slightly distorted square planar with the two phosphorous atoms cis to each other (Table 1). The P2—Pt1—P1 angle of 97.55 (2)° is significantly larger than 90° due to the geometry of the ferrocenyl moiety. The other bond angles about the Pt atom in (I) are consistent with those seen in related structures (Allen, 2002). Around Pt1, atoms P1 and Cl2 are slightly below and atoms P2 and Cl1 are slightly above the least squares plane defined by atoms Pt1, P1, P2, Cl1, and Cl2. This distorted square planar geometry is typical of this class of compounds with a cis substitution pattern around the central platinum(II) atom.

Atom Fe1 is almost equidistant from the centroids of the two five membered rings: Fe1···Cg(C1—C5) = 1.6404 (12) Å and Fe1···Cg(C36—C40) = 1.6512 (12) Å. The two five-membered rings are staggered about Pt1 with an angle of 29.4 (2)° calculated by taking the average and standard deviation of the dihedral angles C1-Centroid 1-Centroid 2-C40, C2- Centroid 1-Centroid 2-C39, C3-Centroid 1-Centroid 2 –C38, C4-Centroid 1-Centroid 2-C37, and C5-Centroid 1-Centroid 2-C36. This angle is slightly larger than the twist angle of 24.7 (2)° between the two five-membered rings in the complex PtCl2(1-[1',2-bis(diphenylphosphino)ferrocenyl]ethylacetate) dichloromethane solvate (Spencer & Bjelosevic, 2007). A dihedral angle of 4.22 (17) ° is formed between the cyclopentadienyl rings. This angle is similar to the angles of 5.9° for the similar complexes PtCl2[1,1'-bis(diphenylphosphino)ferrocene) (Clemente et al., 1986) and 4.32 (18)° for PtCl2(1-[1',2-bis(diphenylphosphino)ferrocenyl]ethylacetate) dichloromethane solvate (Spencer & Bjelosevic, 2007). The other geometrical parameters are typical.

Compound (I) participates in one intramolecular N—H···Cl and intermolecular O—H···O hydrogen bonding interations (Table 2). The intramolecular hydrogen-bonding interaction of the type N—H···Cl which leads to the motif S(8) (Bernstein et al., 1995) may be regarded as weak, as its H···Cl separation of 2.69Å corresponds to a mean of 2.4 (1)Å for similar interactions in the Cambridge Structural Database (CSD; Version 5.28; August 2007 update; Allen, 2002). The prameters for the strong O—H···O interaction are comparable to those of similar hydrogen bonds. This interaction forms dimers of compound (I) and can be described using graph set notation by the motif R22(8) (Bernstein et al., 1995).

Experimental

(1,5-cyclooctadiene)platinum(II)chloride, (128 mg, 0.342 mmol), was added to a mixture of 1-[1-[(3-carboxy-1-oxopropyl)amino]ethyl]-1',2-bis(diphenylphosphino)ferrocene (Bjelosevic et al., 2006), (241 mg, 0.346 mmol) in dry CH2Cl2 (20 ml). The resulting solution was stirred under N2 atmosphere at room temperature for one hour and then reduced to about 5 ml. Dry Et2O (35 ml) was added under stirring, resulting in precipitation of a yellow product. The product was collected, washed with dry Et2O and evaporated under reduced pressure over night at room temperature to give the title compound as a yellow powder (293 mg, 88%). 1H NMR (400 MHz, CD2Cl2, p.p.m.): δ 1.93 (d, 3H, J = 6.8 Hz, –CHCH3), 1.95–2.45 (m, 4H, –CH2CH2-), 3.40–5.10 (m, 7H, ferrocene), 6.90–8.33 (m, 22H, PPh, –CHCH3 and –CHNHCO–), 11.50–12.55 (br s, 1H, –COOH). 31P NMR (202 MHz, CD2Cl2, p.p.m. relative to H3PO4): δ 14.41 (d, JPP' = 8.3 Hz, 195Pt satellites JPtP = 3778 Hz), 8.91 (d, JPP'= 8.3 Hz, 195Pt satellites JPtP = 3761 Hz). HRMS (FAB+) m/z calculated for C40H37Cl2FeNO3P2Pt: 962.0623, found 962.0626 [M]+. El. anal: C 49.80, H 3.95, N 1.37. Crystallization from CH2Cl2/hexane solution, by slow evaporation at room temperature, resulted in yellow blocks of (I).

Refinement

Compound (I) co-crystallizes with approximately 1.25 solvent molecules of dichloromethane per platinum complex. A significant amount of time was invested in identifying and refining the disordered dichloromethane solvent molecules. Bond length restraints were applied to model the molecules but the resulting isotropic displacement coefficients suggested the molecules were mobile. In addition, the refinement was computationally unstable. Option SQUEEZE of program PLATON (Spek, 2003) was used to correct the diffraction data for diffuse scattering effects and to identify the solvate molecules. PLATON calculated the upper limit of volume that can be occupied by the solvent to be 476.2 Å3, or 12.2% of the unit cell volume. The program calculated 216 electrons in the unit cell for the diffuse species. This approximately corresponds to 1.25 molecules of dichloromethane (52.5 electrons) per compound (I).

All H-atoms were placed in idealized locations (C—H = 0.95–1.00 Å, N—H = 0.86 Å, O—H = 0.84 Å) and refined as riding with Uiso(H) = 1.2Ueq(carrier) or 1.5Ueq(methyl C).

The highest difference peak is 0.xxÅ from Pt1.

Figures

Fig. 1.
: The molecular structure of (I) drawn with 30% probability ellipsoids. All hydrogen atoms attached to carbon atoms are omitted for clarity.
Fig. 2.
: A centrosymmetric dimer of compound (I) formed due to the intermolecular hydrogen bonding interaction. The intermolecular hydrogen bond and intramolecular hydrogen bond are shown with the thinner dashed lines. [Symmetry transformation: i: -x + 2, -y, ...

Crystal data

[FePtCl2(C17H14P)(C23H23NO3P)]·1.25CH2Cl2F000 = 2114
Mr = 1069.64Dx = 1.821 Mg m3
Monoclinic, P21/nMo- Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 21973 reflections
a = 13.0154 (8) Åθ = 2.2–29.6º
b = 15.7866 (10) ŵ = 4.39 mm1
c = 19.3403 (12) ÅT = 100 (2) K
β = 100.916 (1)ºBlock, yellow
V = 3901.9 (4) Å30.35 × 0.33 × 0.30 mm
Z = 4

Data collection

Bruker SMART1000 CCD diffractometer10833 independent reflections
Radiation source: fine-focus sealed tube9395 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.036
T = 100(2) Kθmax = 29.6º
ω scansθmin = 1.7º
Absorption correction: multi-scan(SADABS; Bruker, 2003)h = −18→18
Tmin = 0.309, Tmax = 0.353k = −21→21
56419 measured reflectionsl = −26→26

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.025H-atom parameters constrained
wR(F2) = 0.065  w = 1/[σ2(Fo2) + (0.0366P)2 + 0.9654P] where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max = 0.001
10833 reflectionsΔρmax = 1.45 e Å3
453 parametersΔρmin = −0.48 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)are estimated using the full covariance matrix. The cell e.s.d.'s are takeninto account individually in the estimation of e.s.d.'s in distances, anglesand torsion angles; correlations between e.s.d.'s in cell parameters are onlyused when they are defined by crystal symmetry. An approximate (isotropic)treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR andgoodness of fit S are based on F2, conventional R-factors R are basedon F, with F set to zero for negative F2. The threshold expression ofF2 > σ(F2) is used only for calculating R-factors(gt) etc. and isnot relevant to the choice of reflections for refinement. R-factors basedon F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/Ueq
Pt10.517748 (7)0.236711 (6)0.227608 (5)0.01205 (3)
Fe10.40957 (3)0.25793 (2)0.007455 (19)0.01408 (7)
Cl10.67981 (5)0.17995 (4)0.28377 (3)0.02068 (13)
Cl20.52630 (5)0.32416 (4)0.32745 (3)0.01833 (12)
P10.50312 (5)0.13556 (4)0.14368 (3)0.01277 (12)
P20.38650 (5)0.32092 (4)0.17376 (3)0.01277 (12)
O10.79978 (17)0.22592 (16)0.02709 (11)0.0341 (5)
O21.05274 (17)0.10838 (14)0.00910 (12)0.0318 (5)
H21.05340.0631−0.01360.048*
O30.93828 (15)0.03658 (14)0.05916 (11)0.0305 (5)
N10.73423 (17)0.25400 (14)0.12523 (13)0.0182 (4)
H10.74350.24690.17110.022*
C10.45365 (19)0.13779 (16)−0.00883 (13)0.0174 (5)
H1A0.40730.0868−0.01400.021*
C20.4742 (2)0.18988 (18)−0.06440 (13)0.0202 (5)
H2A0.44300.1828−0.11550.024*
C30.5439 (2)0.25468 (17)−0.03527 (14)0.0187 (5)
H30.56920.3017−0.06240.022*
C40.56845 (19)0.24502 (15)0.03934 (14)0.0157 (5)
C50.51106 (18)0.17171 (16)0.05675 (13)0.0142 (5)
C60.64074 (19)0.30043 (17)0.09061 (13)0.0171 (5)
H60.60160.31650.12840.021*
C70.6698 (2)0.38307 (18)0.05800 (15)0.0241 (6)
H7A0.70970.41910.09490.036*
H7B0.60590.41260.03560.036*
H7C0.71250.37050.02260.036*
C80.8071 (2)0.22138 (18)0.09118 (16)0.0239 (6)
C90.8993 (2)0.1799 (2)0.13841 (16)0.0270 (6)
H9A0.87920.12220.15090.032*
H9B0.91800.21290.18250.032*
C100.9939 (2)0.1743 (2)0.10304 (17)0.0284 (6)
H10A0.99830.22680.07570.034*
H10B1.05800.17070.13980.034*
C110.9903 (2)0.09984 (19)0.05495 (16)0.0251 (6)
C120.59865 (18)0.05016 (16)0.16185 (13)0.0157 (5)
C130.67153 (19)0.03441 (16)0.11885 (14)0.0178 (5)
H130.67580.07110.08060.021*
C140.7377 (2)−0.03525 (17)0.13238 (15)0.0219 (6)
H140.7876−0.04590.10330.026*
C150.7315 (2)−0.08917 (17)0.18795 (16)0.0242 (6)
H150.7755−0.13760.19600.029*
C160.66108 (19)−0.07251 (17)0.23194 (15)0.0200 (5)
H160.6585−0.10850.27090.024*
C170.59439 (19)−0.00311 (16)0.21893 (14)0.0189 (5)
H170.54590.00810.24890.023*
C180.38247 (18)0.07400 (16)0.13510 (13)0.0141 (5)
C190.36812 (19)0.00308 (16)0.09043 (13)0.0166 (5)
H190.4207−0.01210.06470.020*
C200.2775 (2)−0.04485 (17)0.08379 (14)0.0219 (5)
H200.2667−0.09110.05180.026*
C210.2025 (2)−0.02546 (18)0.12373 (15)0.0237 (6)
H210.1403−0.05820.11910.028*
C220.2191 (2)0.04204 (18)0.17043 (14)0.0217 (5)
H220.16890.05410.19900.026*
C230.30772 (19)0.09213 (17)0.17606 (13)0.0178 (5)
H230.31760.13870.20770.021*
C240.26636 (19)0.31782 (16)0.20920 (14)0.0168 (5)
C250.2685 (2)0.28888 (17)0.27762 (14)0.0197 (5)
H250.33110.26590.30430.024*
C260.1784 (2)0.29372 (18)0.30681 (16)0.0259 (6)
H260.18010.27490.35370.031*
C270.0872 (2)0.32574 (18)0.26774 (17)0.0283 (7)
H270.02620.32900.28790.034*
C280.0838 (2)0.35315 (19)0.19946 (17)0.0277 (6)
H280.02050.37520.17290.033*
C290.17282 (19)0.34854 (17)0.16937 (15)0.0215 (5)
H290.17000.36620.12210.026*
C300.4300 (2)0.43184 (16)0.18119 (13)0.0161 (5)
C310.3561 (2)0.49628 (17)0.16439 (14)0.0204 (5)
H310.28390.48250.15210.024*
C320.3874 (2)0.57983 (18)0.16548 (15)0.0272 (6)
H320.33660.62330.15410.033*
C330.4933 (2)0.60076 (18)0.18318 (14)0.0255 (6)
H330.51460.65840.18430.031*
C340.5667 (2)0.53766 (18)0.19900 (14)0.0239 (6)
H340.63890.55160.21030.029*
C350.5351 (2)0.45313 (17)0.19849 (13)0.0176 (5)
H350.58610.40980.21010.021*
C360.33884 (18)0.31513 (16)0.07995 (13)0.0152 (5)
C370.35963 (19)0.37625 (16)0.02881 (13)0.0176 (5)
H370.40480.42770.03920.021*
C380.3063 (2)0.35052 (18)−0.03852 (14)0.0219 (5)
H380.30820.3801−0.08400.026*
C390.2515 (2)0.27440 (18)−0.03070 (14)0.0202 (5)
H390.20840.2413−0.06980.024*
C400.2707 (2)0.25155 (16)0.04190 (15)0.0168 (5)
H400.24210.20080.06270.020*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Pt10.01341 (5)0.01136 (5)0.01105 (5)0.00026 (3)0.00150 (3)−0.00018 (3)
Fe10.01480 (16)0.01564 (18)0.01161 (17)0.00201 (13)0.00204 (13)−0.00002 (13)
Cl10.0199 (3)0.0201 (3)0.0190 (3)0.0042 (2)−0.0041 (2)−0.0016 (2)
Cl20.0228 (3)0.0180 (3)0.0140 (3)−0.0016 (2)0.0032 (2)−0.0037 (2)
P10.0125 (3)0.0119 (3)0.0137 (3)0.0011 (2)0.0020 (2)−0.0003 (2)
P20.0134 (3)0.0122 (3)0.0130 (3)0.0009 (2)0.0033 (2)−0.0007 (2)
O10.0255 (11)0.0534 (15)0.0224 (11)0.0109 (10)0.0022 (9)−0.0106 (10)
O20.0305 (11)0.0261 (12)0.0414 (13)−0.0034 (9)0.0135 (10)−0.0064 (10)
O30.0255 (10)0.0285 (12)0.0391 (13)−0.0023 (9)0.0104 (9)−0.0088 (10)
N10.0158 (10)0.0208 (12)0.0176 (11)0.0015 (8)0.0020 (9)−0.0007 (8)
C10.0191 (11)0.0160 (12)0.0173 (12)0.0012 (9)0.0040 (10)−0.0051 (10)
C20.0223 (12)0.0258 (15)0.0133 (12)0.0031 (10)0.0058 (10)−0.0029 (10)
C30.0213 (12)0.0211 (14)0.0151 (12)0.0024 (10)0.0068 (10)0.0024 (10)
C40.0135 (11)0.0160 (12)0.0182 (12)0.0021 (9)0.0048 (9)−0.0006 (9)
C50.0131 (10)0.0147 (12)0.0152 (11)0.0017 (9)0.0041 (9)0.0003 (9)
C60.0147 (11)0.0177 (13)0.0191 (12)0.0001 (9)0.0035 (9)0.0009 (10)
C70.0240 (13)0.0186 (14)0.0293 (15)−0.0036 (10)0.0040 (11)0.0040 (11)
C80.0175 (12)0.0259 (15)0.0270 (15)0.0025 (10)0.0009 (11)−0.0081 (12)
C90.0190 (13)0.0311 (16)0.0294 (15)0.0060 (11)0.0012 (11)−0.0057 (12)
C100.0180 (12)0.0279 (16)0.0369 (17)0.0028 (11)−0.0007 (12)−0.0074 (13)
C110.0180 (12)0.0235 (15)0.0319 (16)0.0034 (10)0.0001 (11)−0.0033 (12)
C120.0138 (11)0.0121 (12)0.0205 (13)0.0009 (9)0.0009 (9)−0.0028 (9)
C130.0171 (11)0.0153 (12)0.0202 (13)0.0001 (9)0.0015 (10)−0.0016 (10)
C140.0147 (11)0.0207 (14)0.0307 (15)0.0009 (10)0.0053 (11)−0.0064 (11)
C150.0169 (12)0.0152 (13)0.0370 (16)0.0025 (10)−0.0037 (11)−0.0022 (11)
C160.0163 (11)0.0156 (13)0.0258 (14)−0.0029 (9)−0.0021 (10)0.0026 (10)
C170.0167 (11)0.0150 (13)0.0246 (14)0.0005 (9)0.0027 (10)0.0017 (10)
C180.0135 (10)0.0141 (12)0.0139 (11)0.0007 (9)0.0009 (9)0.0028 (9)
C190.0198 (12)0.0141 (12)0.0155 (12)−0.0006 (9)0.0021 (10)−0.0006 (9)
C200.0241 (13)0.0178 (13)0.0219 (14)−0.0041 (10)−0.0004 (11)−0.0023 (11)
C210.0200 (12)0.0225 (14)0.0274 (15)−0.0035 (10)0.0011 (11)0.0070 (11)
C220.0176 (12)0.0252 (14)0.0241 (14)0.0017 (10)0.0085 (10)0.0047 (11)
C230.0192 (12)0.0169 (13)0.0177 (12)0.0029 (9)0.0043 (10)−0.0006 (10)
C240.0172 (11)0.0144 (12)0.0205 (13)−0.0026 (9)0.0078 (10)−0.0042 (10)
C250.0232 (12)0.0154 (12)0.0228 (13)−0.0017 (10)0.0102 (11)−0.0009 (10)
C260.0336 (15)0.0171 (13)0.0324 (16)−0.0035 (11)0.0202 (13)−0.0031 (12)
C270.0271 (14)0.0187 (14)0.0449 (18)−0.0018 (11)0.0214 (13)−0.0050 (13)
C280.0193 (13)0.0246 (15)0.0414 (18)0.0022 (11)0.0110 (12)−0.0066 (13)
C290.0185 (12)0.0201 (14)0.0269 (14)0.0016 (10)0.0071 (11)−0.0026 (11)
C300.0218 (12)0.0117 (12)0.0155 (12)−0.0005 (9)0.0049 (10)0.0000 (9)
C310.0227 (12)0.0182 (13)0.0202 (13)0.0029 (10)0.0036 (10)0.0003 (10)
C320.0405 (17)0.0147 (14)0.0269 (15)0.0042 (12)0.0082 (13)0.0040 (11)
C330.0412 (16)0.0141 (13)0.0201 (13)−0.0041 (11)0.0031 (12)0.0013 (10)
C340.0293 (14)0.0211 (14)0.0201 (14)−0.0084 (11)0.0013 (11)0.0005 (11)
C350.0209 (12)0.0171 (13)0.0144 (12)0.0008 (10)0.0019 (10)0.0000 (10)
C360.0133 (10)0.0162 (12)0.0159 (12)0.0037 (9)0.0020 (9)−0.0018 (9)
C370.0201 (12)0.0142 (12)0.0190 (12)0.0029 (9)0.0047 (10)0.0008 (10)
C380.0253 (13)0.0237 (14)0.0155 (12)0.0092 (11)0.0009 (10)0.0033 (10)
C390.0188 (12)0.0239 (14)0.0161 (12)0.0055 (10)−0.0012 (10)−0.0037 (10)
C400.0125 (11)0.0179 (13)0.0197 (13)0.0027 (9)0.0023 (10)−0.0036 (9)

Geometric parameters (Å, °)

Pt1—P22.2575 (6)C13—H130.9500
Pt1—P12.2592 (6)C14—C151.385 (4)
Pt1—Cl12.3588 (6)C14—H140.9500
Pt1—Cl22.3592 (6)C15—C161.389 (4)
Fe1—C52.007 (2)C15—H150.9500
Fe1—C12.023 (3)C16—C171.391 (4)
Fe1—C362.029 (2)C16—H160.9500
Fe1—C402.044 (3)C17—H170.9500
Fe1—C372.045 (3)C18—C231.396 (3)
Fe1—C42.053 (3)C18—C191.405 (3)
Fe1—C22.058 (2)C19—C201.386 (3)
Fe1—C392.066 (3)C19—H190.9500
Fe1—C382.069 (3)C20—C211.389 (4)
Fe1—C32.071 (3)C20—H200.9500
P1—C51.797 (2)C21—C221.387 (4)
P1—C121.823 (2)C21—H210.9500
P1—C181.827 (2)C22—C231.386 (4)
P2—C361.805 (3)C22—H220.9500
P2—C241.823 (2)C23—H230.9500
P2—C301.837 (3)C24—C251.395 (4)
O1—C81.227 (4)C24—C291.398 (4)
O2—C111.318 (3)C25—C261.396 (4)
O2—H20.8400C25—H250.9500
O3—C111.218 (3)C26—C271.377 (4)
N1—C81.354 (3)C26—H260.9500
N1—C61.469 (3)C27—C281.382 (4)
N1—H10.8800C27—H270.9500
C1—C21.418 (4)C28—C291.394 (4)
C1—C51.447 (3)C28—H280.9500
C1—H1A1.0000C29—H290.9500
C2—C31.412 (4)C30—C351.387 (3)
C2—H2A1.0000C30—C311.395 (4)
C3—C41.426 (4)C31—C321.379 (4)
C3—H31.0000C31—H310.9500
C4—C51.451 (3)C32—C331.396 (4)
C4—C61.510 (4)C32—H320.9500
C6—C71.527 (4)C33—C341.374 (4)
C6—H61.0000C33—H330.9500
C7—H7A0.9800C34—C351.395 (4)
C7—H7B0.9800C34—H340.9500
C7—H7C0.9800C35—H350.9500
C8—C91.513 (4)C36—C371.443 (3)
C9—C101.520 (4)C36—C401.445 (3)
C9—H9A0.9900C37—C381.414 (4)
C9—H9B0.9900C37—H371.0000
C10—C111.494 (4)C38—C391.420 (4)
C10—H10A0.9900C38—H381.0000
C10—H10B0.9900C39—C401.425 (4)
C12—C131.397 (3)C39—H391.0000
C12—C171.397 (4)C40—H401.0000
C13—C141.391 (4)
P2—Pt1—P197.55 (2)C8—C9—H9B109.3
P2—Pt1—Cl1165.62 (2)C10—C9—H9B109.3
P1—Pt1—Cl190.50 (2)H9A—C9—H9B107.9
P2—Pt1—Cl286.98 (2)C11—C10—C9113.2 (2)
P1—Pt1—Cl2170.47 (2)C11—C10—H10A108.9
Cl1—Pt1—Cl286.90 (2)C9—C10—H10A108.9
C5—Fe1—C142.09 (10)C11—C10—H10B108.9
C5—Fe1—C36108.51 (10)C9—C10—H10B108.9
C1—Fe1—C36134.73 (10)H10A—C10—H10B107.8
C5—Fe1—C40110.79 (10)O3—C11—O2123.4 (3)
C1—Fe1—C40107.39 (10)O3—C11—C10123.7 (3)
C36—Fe1—C4041.56 (10)O2—C11—C10112.8 (3)
C5—Fe1—C37136.80 (10)C13—C12—C17119.8 (2)
C1—Fe1—C37176.16 (10)C13—C12—P1122.2 (2)
C36—Fe1—C3741.49 (10)C17—C12—P1118.02 (18)
C40—Fe1—C3769.19 (10)C14—C13—C12119.7 (2)
C5—Fe1—C441.86 (9)C14—C13—H13120.2
C1—Fe1—C469.79 (10)C12—C13—H13120.2
C36—Fe1—C4113.55 (10)C15—C14—C13120.4 (2)
C40—Fe1—C4143.12 (11)C15—C14—H14119.8
C37—Fe1—C4111.75 (10)C13—C14—H14119.8
C5—Fe1—C269.55 (10)C14—C15—C16120.1 (2)
C1—Fe1—C240.66 (10)C14—C15—H15120.0
C36—Fe1—C2174.72 (11)C16—C15—H15120.0
C40—Fe1—C2133.95 (11)C15—C16—C17120.0 (3)
C37—Fe1—C2143.05 (11)C15—C16—H16120.0
C4—Fe1—C268.53 (10)C17—C16—H16120.0
C5—Fe1—C39140.90 (11)C16—C17—C12120.0 (2)
C1—Fe1—C39110.79 (11)C16—C17—H17120.0
C36—Fe1—C3968.87 (10)C12—C17—H17120.0
C40—Fe1—C3940.57 (10)C23—C18—C19119.1 (2)
C37—Fe1—C3967.93 (10)C23—C18—P1121.26 (19)
C4—Fe1—C39176.24 (11)C19—C18—P1119.44 (18)
C2—Fe1—C39109.33 (11)C20—C19—C18120.2 (2)
C5—Fe1—C38176.98 (11)C20—C19—H19119.9
C1—Fe1—C38140.86 (11)C18—C19—H19119.9
C36—Fe1—C3868.88 (10)C19—C20—C21120.2 (3)
C40—Fe1—C3868.42 (11)C19—C20—H20119.9
C37—Fe1—C3840.20 (10)C21—C20—H20119.9
C4—Fe1—C38137.27 (11)C22—C21—C20119.5 (2)
C2—Fe1—C38113.19 (11)C22—C21—H21120.2
C39—Fe1—C3840.16 (11)C20—C21—H21120.2
C5—Fe1—C369.11 (10)C23—C22—C21120.9 (2)
C1—Fe1—C368.23 (10)C23—C22—H22119.5
C36—Fe1—C3144.53 (10)C21—C22—H22119.5
C40—Fe1—C3173.90 (11)C22—C23—C18119.9 (2)
C37—Fe1—C3115.32 (10)C22—C23—H23120.1
C4—Fe1—C340.45 (10)C18—C23—H23120.1
C2—Fe1—C340.00 (10)C25—C24—C29119.7 (2)
C39—Fe1—C3135.99 (11)C25—C24—P2120.1 (2)
C38—Fe1—C3112.01 (11)C29—C24—P2120.19 (19)
C5—P1—C12104.91 (11)C24—C25—C26119.9 (3)
C5—P1—C18106.54 (11)C24—C25—H25120.1
C12—P1—C1899.63 (11)C26—C25—H25120.1
C5—P1—Pt1115.84 (8)C27—C26—C25120.1 (3)
C12—P1—Pt1115.01 (8)C27—C26—H26120.0
C18—P1—Pt1113.28 (8)C25—C26—H26120.0
C36—P2—C24102.74 (11)C26—C27—C28120.5 (3)
C36—P2—C3099.73 (12)C26—C27—H27119.8
C24—P2—C30105.64 (11)C28—C27—H27119.8
C36—P2—Pt1121.32 (8)C27—C28—C29120.2 (3)
C24—P2—Pt1116.02 (9)C27—C28—H28119.9
C30—P2—Pt1109.28 (8)C29—C28—H28119.9
C11—O2—H2109.5C28—C29—C24119.6 (3)
C8—N1—C6124.3 (2)C28—C29—H29120.2
C8—N1—H1117.8C24—C29—H29120.2
C6—N1—H1117.8C35—C30—C31119.0 (2)
C2—C1—C5108.0 (2)C35—C30—P2121.66 (19)
C2—C1—Fe170.98 (15)C31—C30—P2119.2 (2)
C5—C1—Fe168.37 (14)C32—C31—C30120.4 (3)
C2—C1—H1A126.0C32—C31—H31119.8
C5—C1—H1A126.0C30—C31—H31119.8
Fe1—C1—H1A126.0C31—C32—C33120.3 (3)
C3—C2—C1108.5 (2)C31—C32—H32119.8
C3—C2—Fe170.50 (15)C33—C32—H32119.8
C1—C2—Fe168.36 (14)C34—C33—C32119.7 (3)
C3—C2—H2A125.8C34—C33—H33120.1
C1—C2—H2A125.8C32—C33—H33120.1
Fe1—C2—H2A125.8C33—C34—C35120.0 (3)
C2—C3—C4109.3 (2)C33—C34—H34120.0
C2—C3—Fe169.50 (15)C35—C34—H34120.0
C4—C3—Fe169.10 (14)C30—C35—C34120.6 (2)
C2—C3—H3125.3C30—C35—H35119.7
C4—C3—H3125.3C34—C35—H35119.7
Fe1—C3—H3125.3C37—C36—C40107.0 (2)
C3—C4—C5107.1 (2)C37—C36—P2125.56 (19)
C3—C4—C6126.5 (2)C40—C36—P2127.4 (2)
C5—C4—C6126.4 (2)C37—C36—Fe169.86 (14)
C3—C4—Fe170.45 (15)C40—C36—Fe169.76 (14)
C5—C4—Fe167.39 (13)P2—C36—Fe1127.05 (13)
C6—C4—Fe1127.34 (17)C38—C37—C36108.4 (2)
C1—C5—C4107.1 (2)C38—C37—Fe170.81 (15)
C1—C5—P1126.21 (19)C36—C37—Fe168.65 (14)
C4—C5—P1126.43 (19)C38—C37—H37125.8
C1—C5—Fe169.54 (14)C36—C37—H37125.8
C4—C5—Fe170.75 (14)Fe1—C37—H37125.8
P1—C5—Fe1120.70 (12)C37—C38—C39108.3 (2)
N1—C6—C4111.7 (2)C37—C38—Fe168.99 (14)
N1—C6—C7111.5 (2)C39—C38—Fe169.80 (15)
C4—C6—C7113.3 (2)C37—C38—H38125.8
N1—C6—H6106.6C39—C38—H38125.8
C4—C6—H6106.6Fe1—C38—H38125.8
C7—C6—H6106.6C38—C39—C40108.7 (2)
C6—C7—H7A109.5C38—C39—Fe170.03 (15)
C6—C7—H7B109.5C40—C39—Fe168.86 (15)
H7A—C7—H7B109.5C38—C39—H39125.6
C6—C7—H7C109.5C40—C39—H39125.6
H7A—C7—H7C109.5Fe1—C39—H39125.6
H7B—C7—H7C109.5C39—C40—C36107.6 (2)
O1—C8—N1122.8 (3)C39—C40—Fe170.56 (15)
O1—C8—C9122.4 (3)C36—C40—Fe168.68 (14)
N1—C8—C9114.8 (3)C39—C40—H40126.2
C8—C9—C10111.8 (3)C36—C40—H40126.2
C8—C9—H9A109.3Fe1—C40—H40126.2
C10—C9—H9A109.3
P2—Pt1—P1—C555.66 (9)Pt1—P1—C12—C1765.6 (2)
Cl1—Pt1—P1—C5−112.39 (9)C17—C12—C13—C141.4 (4)
Cl2—Pt1—P1—C5173.58 (14)P1—C12—C13—C14−175.5 (2)
P2—Pt1—P1—C12178.43 (9)C12—C13—C14—C150.3 (4)
Cl1—Pt1—P1—C1210.38 (9)C13—C14—C15—C16−2.0 (4)
Cl2—Pt1—P1—C12−63.65 (16)C14—C15—C16—C172.0 (4)
P2—Pt1—P1—C18−67.88 (9)C15—C16—C17—C12−0.4 (4)
Cl1—Pt1—P1—C18124.06 (9)C13—C12—C17—C16−1.3 (4)
Cl2—Pt1—P1—C1850.04 (16)P1—C12—C17—C16175.7 (2)
P1—Pt1—P2—C36−20.67 (10)C5—P1—C18—C23−126.6 (2)
Cl1—Pt1—P2—C36102.85 (13)C12—P1—C18—C23124.6 (2)
Cl2—Pt1—P2—C36167.75 (10)Pt1—P1—C18—C232.0 (2)
P1—Pt1—P2—C24105.09 (9)C5—P1—C18—C1958.4 (2)
Cl1—Pt1—P2—C24−131.39 (12)C12—P1—C18—C19−50.4 (2)
Cl2—Pt1—P2—C24−66.49 (9)Pt1—P1—C18—C19−173.11 (17)
P1—Pt1—P2—C30−135.66 (8)C23—C18—C19—C204.2 (4)
Cl1—Pt1—P2—C30−12.14 (13)P1—C18—C19—C20179.4 (2)
Cl2—Pt1—P2—C3052.76 (8)C18—C19—C20—C21−3.0 (4)
C5—Fe1—C1—C2−119.3 (2)C19—C20—C21—C22−0.2 (4)
C36—Fe1—C1—C2176.22 (15)C20—C21—C22—C232.2 (4)
C40—Fe1—C1—C2138.72 (16)C21—C22—C23—C18−1.0 (4)
C37—Fe1—C1—C2165.6 (15)C19—C18—C23—C22−2.2 (4)
C4—Fe1—C1—C2−80.21 (16)P1—C18—C23—C22−177.3 (2)
C39—Fe1—C1—C295.82 (16)C36—P2—C24—C25155.4 (2)
C38—Fe1—C1—C261.8 (2)C30—P2—C24—C25−100.5 (2)
C3—Fe1—C1—C2−36.78 (15)Pt1—P2—C24—C2520.7 (2)
C36—Fe1—C1—C5−64.51 (19)C36—P2—C24—C29−28.0 (2)
C40—Fe1—C1—C5−102.00 (15)C30—P2—C24—C2976.1 (2)
C37—Fe1—C1—C5−75.2 (16)Pt1—P2—C24—C29−162.68 (18)
C4—Fe1—C1—C539.06 (14)C29—C24—C25—C26−2.4 (4)
C2—Fe1—C1—C5119.3 (2)P2—C24—C25—C26174.2 (2)
C39—Fe1—C1—C5−144.91 (14)C24—C25—C26—C271.0 (4)
C38—Fe1—C1—C5−178.95 (16)C25—C26—C27—C280.1 (4)
C3—Fe1—C1—C582.50 (15)C26—C27—C28—C290.1 (4)
C5—C1—C2—C30.8 (3)C27—C28—C29—C24−1.5 (4)
Fe1—C1—C2—C359.27 (18)C25—C24—C29—C282.6 (4)
C5—C1—C2—Fe1−58.51 (16)P2—C24—C29—C28−174.0 (2)
C5—Fe1—C2—C3−81.51 (16)C36—P2—C30—C35−111.1 (2)
C1—Fe1—C2—C3−120.1 (2)C24—P2—C30—C35142.7 (2)
C36—Fe1—C2—C3−150.8 (11)Pt1—P2—C30—C3517.2 (2)
C40—Fe1—C2—C3178.90 (16)C36—P2—C30—C3164.5 (2)
C37—Fe1—C2—C361.5 (2)C24—P2—C30—C31−41.8 (2)
C4—Fe1—C2—C3−36.54 (15)Pt1—P2—C30—C31−167.27 (18)
C39—Fe1—C2—C3140.16 (16)C35—C30—C31—C32−0.4 (4)
C38—Fe1—C2—C397.11 (17)P2—C30—C31—C32−176.1 (2)
C5—Fe1—C2—C138.61 (15)C30—C31—C32—C330.2 (4)
C36—Fe1—C2—C1−30.6 (12)C31—C32—C33—C340.5 (4)
C40—Fe1—C2—C1−61.0 (2)C32—C33—C34—C35−1.1 (4)
C37—Fe1—C2—C1−178.41 (17)C31—C30—C35—C34−0.1 (4)
C4—Fe1—C2—C183.58 (16)P2—C30—C35—C34175.5 (2)
C39—Fe1—C2—C1−99.72 (16)C33—C34—C35—C300.8 (4)
C38—Fe1—C2—C1−142.77 (15)C24—P2—C36—C37123.0 (2)
C3—Fe1—C2—C1120.1 (2)C30—P2—C36—C3714.4 (2)
C1—C2—C3—C4−0.3 (3)Pt1—P2—C36—C37−105.3 (2)
Fe1—C2—C3—C457.70 (18)C24—P2—C36—C40−54.6 (2)
C1—C2—C3—Fe1−57.96 (17)C30—P2—C36—C40−163.2 (2)
C5—Fe1—C3—C282.70 (17)Pt1—P2—C36—C4077.0 (2)
C1—Fe1—C3—C237.37 (15)C24—P2—C36—Fe1−146.42 (16)
C36—Fe1—C3—C2175.56 (17)C30—P2—C36—Fe1104.96 (17)
C40—Fe1—C3—C2−7.5 (11)Pt1—P2—C36—Fe1−14.8 (2)
C37—Fe1—C3—C2−144.25 (16)C5—Fe1—C36—C37141.43 (15)
C4—Fe1—C3—C2121.3 (2)C1—Fe1—C36—C37−178.93 (15)
C39—Fe1—C3—C2−60.5 (2)C40—Fe1—C36—C37−117.8 (2)
C38—Fe1—C3—C2−100.31 (17)C4—Fe1—C36—C3796.73 (15)
C5—Fe1—C3—C4−38.64 (14)C2—Fe1—C36—C37−151.1 (11)
C1—Fe1—C3—C4−83.98 (16)C39—Fe1—C36—C37−80.15 (16)
C36—Fe1—C3—C454.2 (2)C38—Fe1—C36—C37−36.95 (15)
C40—Fe1—C3—C4−128.8 (10)C3—Fe1—C36—C3761.7 (2)
C37—Fe1—C3—C494.40 (16)C5—Fe1—C36—C40−100.75 (16)
C2—Fe1—C3—C4−121.3 (2)C1—Fe1—C36—C40−61.1 (2)
C39—Fe1—C3—C4178.17 (16)C37—Fe1—C36—C40117.8 (2)
C38—Fe1—C3—C4138.34 (15)C4—Fe1—C36—C40−145.45 (15)
C2—C3—C4—C5−0.3 (3)C2—Fe1—C36—C40−33.2 (12)
Fe1—C3—C4—C557.59 (16)C39—Fe1—C36—C4037.67 (15)
C2—C3—C4—C6179.5 (2)C38—Fe1—C36—C4080.86 (16)
Fe1—C3—C4—C6−122.6 (2)C3—Fe1—C36—C40179.51 (18)
C2—C3—C4—Fe1−57.94 (19)C5—Fe1—C36—P221.49 (19)
C5—Fe1—C4—C3119.0 (2)C1—Fe1—C36—P261.1 (2)
C1—Fe1—C4—C379.78 (16)C40—Fe1—C36—P2122.2 (2)
C36—Fe1—C4—C3−149.10 (15)C37—Fe1—C36—P2−119.9 (2)
C40—Fe1—C4—C3172.08 (17)C4—Fe1—C36—P2−23.2 (2)
C37—Fe1—C4—C3−104.00 (16)C2—Fe1—C36—P289.0 (11)
C2—Fe1—C4—C336.15 (15)C39—Fe1—C36—P2159.9 (2)
C39—Fe1—C4—C3−19.7 (16)C38—Fe1—C36—P2−156.9 (2)
C38—Fe1—C4—C3−65.3 (2)C3—Fe1—C36—P2−58.2 (3)
C1—Fe1—C4—C5−39.27 (14)C40—C36—C37—C38−0.3 (3)
C36—Fe1—C4—C591.86 (16)P2—C36—C37—C38−178.37 (18)
C40—Fe1—C4—C553.0 (2)Fe1—C36—C37—C3859.85 (17)
C37—Fe1—C4—C5136.96 (14)C40—C36—C37—Fe1−60.18 (16)
C2—Fe1—C4—C5−82.89 (15)P2—C36—C37—Fe1121.78 (19)
C39—Fe1—C4—C5−138.8 (16)C5—Fe1—C37—C38−179.41 (16)
C38—Fe1—C4—C5175.69 (15)C1—Fe1—C37—C38−108.3 (16)
C3—Fe1—C4—C5−119.0 (2)C36—Fe1—C37—C38−119.7 (2)
C5—Fe1—C4—C6−119.4 (3)C40—Fe1—C37—C38−80.80 (17)
C1—Fe1—C4—C6−158.7 (2)C4—Fe1—C37—C38138.88 (16)
C36—Fe1—C4—C6−27.5 (3)C2—Fe1—C37—C3856.1 (2)
C40—Fe1—C4—C6−66.4 (3)C39—Fe1—C37—C38−37.08 (16)
C37—Fe1—C4—C617.6 (3)C3—Fe1—C37—C3894.74 (17)
C2—Fe1—C4—C6157.7 (3)C5—Fe1—C37—C36−59.7 (2)
C39—Fe1—C4—C6101.8 (16)C1—Fe1—C37—C3611.4 (16)
C38—Fe1—C4—C656.3 (3)C40—Fe1—C37—C3638.88 (14)
C3—Fe1—C4—C6121.6 (3)C4—Fe1—C37—C36−101.44 (15)
C2—C1—C5—C4−1.0 (3)C2—Fe1—C37—C36175.76 (17)
Fe1—C1—C5—C4−61.11 (16)C39—Fe1—C37—C3682.60 (16)
C2—C1—C5—P1173.86 (18)C38—Fe1—C37—C36119.7 (2)
Fe1—C1—C5—P1113.71 (19)C3—Fe1—C37—C36−145.58 (15)
C2—C1—C5—Fe160.14 (17)C36—C37—C38—C390.4 (3)
C3—C4—C5—C10.8 (3)Fe1—C37—C38—C3958.91 (18)
C6—C4—C5—C1−179.1 (2)C36—C37—C38—Fe1−58.52 (17)
Fe1—C4—C5—C160.33 (16)C5—Fe1—C38—C378(2)
C3—C4—C5—P1−174.00 (18)C1—Fe1—C38—C37174.21 (16)
C6—C4—C5—P16.1 (4)C36—Fe1—C38—C3738.10 (15)
Fe1—C4—C5—P1−114.48 (19)C40—Fe1—C38—C3782.88 (16)
C3—C4—C5—Fe1−59.53 (17)C4—Fe1—C38—C37−64.2 (2)
C6—C4—C5—Fe1120.6 (2)C2—Fe1—C38—C37−147.14 (15)
C12—P1—C5—C187.3 (2)C39—Fe1—C38—C37120.0 (2)
C18—P1—C5—C1−17.7 (2)C3—Fe1—C38—C37−103.67 (16)
Pt1—P1—C5—C1−144.74 (18)C5—Fe1—C38—C39−112 (2)
C12—P1—C5—C4−98.8 (2)C1—Fe1—C38—C3954.3 (2)
C18—P1—C5—C4156.1 (2)C36—Fe1—C38—C39−81.86 (16)
Pt1—P1—C5—C429.1 (2)C40—Fe1—C38—C39−37.08 (15)
C12—P1—C5—Fe1173.35 (13)C37—Fe1—C38—C39−120.0 (2)
C18—P1—C5—Fe168.30 (16)C4—Fe1—C38—C39175.84 (16)
Pt1—P1—C5—Fe1−58.70 (15)C2—Fe1—C38—C3992.90 (17)
C36—Fe1—C5—C1137.46 (14)C3—Fe1—C38—C39136.37 (16)
C40—Fe1—C5—C193.26 (15)C37—C38—C39—C40−0.3 (3)
C37—Fe1—C5—C1174.57 (15)Fe1—C38—C39—C4058.11 (18)
C4—Fe1—C5—C1−117.6 (2)C37—C38—C39—Fe1−58.41 (17)
C2—Fe1—C5—C1−37.34 (14)C5—Fe1—C39—C38175.56 (16)
C39—Fe1—C5—C158.5 (2)C1—Fe1—C39—C38−146.77 (15)
C38—Fe1—C5—C1167.4 (19)C36—Fe1—C39—C3881.90 (16)
C3—Fe1—C5—C1−80.22 (15)C40—Fe1—C39—C38120.5 (2)
C1—Fe1—C5—C4117.6 (2)C37—Fe1—C39—C3837.12 (15)
C36—Fe1—C5—C4−104.94 (15)C4—Fe1—C39—C38−48.7 (16)
C40—Fe1—C5—C4−149.14 (15)C2—Fe1—C39—C38−103.39 (16)
C37—Fe1—C5—C4−67.83 (19)C3—Fe1—C39—C38−67.0 (2)
C2—Fe1—C5—C480.26 (15)C5—Fe1—C39—C4055.1 (2)
C39—Fe1—C5—C4176.07 (16)C1—Fe1—C39—C4092.77 (16)
C38—Fe1—C5—C4−75 (2)C36—Fe1—C39—C40−38.56 (15)
C3—Fe1—C5—C437.38 (15)C37—Fe1—C39—C40−83.34 (16)
C1—Fe1—C5—P1−120.8 (2)C4—Fe1—C39—C40−169.1 (15)
C36—Fe1—C5—P116.67 (17)C2—Fe1—C39—C40136.16 (15)
C40—Fe1—C5—P1−27.53 (18)C38—Fe1—C39—C40−120.5 (2)
C37—Fe1—C5—P153.8 (2)C3—Fe1—C39—C40172.51 (15)
C4—Fe1—C5—P1121.6 (2)C38—C39—C40—C360.1 (3)
C2—Fe1—C5—P1−158.13 (18)Fe1—C39—C40—C3658.92 (16)
C39—Fe1—C5—P1−62.3 (2)C38—C39—C40—Fe1−58.82 (18)
C38—Fe1—C5—P147 (2)C37—C36—C40—C390.1 (3)
C3—Fe1—C5—P1158.99 (18)P2—C36—C40—C39178.13 (18)
C8—N1—C6—C463.6 (3)Fe1—C36—C40—C39−60.11 (17)
C8—N1—C6—C7−64.3 (3)C37—C36—C40—Fe160.24 (16)
C3—C4—C6—N1−113.9 (3)P2—C36—C40—Fe1−121.8 (2)
C5—C4—C6—N165.9 (3)C5—Fe1—C40—C39−146.41 (15)
Fe1—C4—C6—N1153.75 (18)C1—Fe1—C40—C39−101.88 (16)
C3—C4—C6—C713.0 (4)C36—Fe1—C40—C39118.8 (2)
C5—C4—C6—C7−167.2 (2)C37—Fe1—C40—C3979.97 (16)
Fe1—C4—C6—C7−79.4 (3)C4—Fe1—C40—C39178.82 (17)
C6—N1—C8—O1−2.0 (4)C2—Fe1—C40—C39−65.2 (2)
C6—N1—C8—C9177.1 (2)C38—Fe1—C40—C3936.72 (16)
O1—C8—C9—C1020.2 (4)C3—Fe1—C40—C39−58.5 (11)
N1—C8—C9—C10−158.9 (2)C5—Fe1—C40—C3694.80 (16)
C8—C9—C10—C11−82.7 (3)C1—Fe1—C40—C36139.32 (15)
C9—C10—C11—O3−21.9 (4)C37—Fe1—C40—C36−38.82 (14)
C9—C10—C11—O2160.6 (3)C4—Fe1—C40—C3660.0 (2)
C5—P1—C12—C1311.0 (2)C2—Fe1—C40—C36175.99 (15)
C18—P1—C12—C13121.1 (2)C39—Fe1—C40—C36−118.8 (2)
Pt1—P1—C12—C13−117.5 (2)C38—Fe1—C40—C36−82.07 (16)
C5—P1—C12—C17−165.9 (2)C3—Fe1—C40—C36−177.3 (10)
C18—P1—C12—C17−55.8 (2)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O2—H2···O3i0.841.822.656 (3)177
N1—H1···Cl10.882.693.477 (2)150

Symmetry codes: (i) −x+2, −y, −z.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB2623).

References

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