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Acta Crystallogr Sect E Struct Rep Online. 2010 December 1; 66(Pt 12): m1704.
Published online 2010 November 30. doi:  10.1107/S1600536810048750
PMCID: PMC3011477

Chlorido(4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine)­platinum(II) chloride toluene monosolvate

Abstract

In the title compound, [PtCl(C27H35N3)]Cl·C7H8, the PtII atom is coordinated in a pseudo-square-planar fashion by the N atoms of a 4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine (tbtrpy) ligand and a Cl atom. The Pt—N distance of the N atom on the central pyridine is 1.941 (4) Å, while the peripheral N atoms have Pt—N distances of 2.015 (4) and 2.013 (4) Å. The Pt—Cl bond distance is 2.3070 (10) Å. The cations pack as dimers in a head-to-tail orientation with an inter­molecular Pt(...)Pt distance of 3.2774 (3) Å and Pt(...)N distances of 3.599 (4), 3.791 (4) and 4.115 (4) Å. The solvent mol­ecule is disordered and occupies two positions with a ratio of 0.553 (6):0.447 (6).

Related literature

For crystal structures of the title cation, [(tbtrpy)PtCl]+, see: Batrice et al. (2010) [triangle]; Lai et al. (1999 [triangle]). For head-to-tail packing of related terpyridine complexes with close Pt(...)Pt distances, see: Bailey et al. (1995 [triangle]); Sengul (2004 [triangle]). For the synthesis of [(tbtrpy)PtCl]Cl, see: Howe-Grant & Lippard (1980 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1704-scheme1.jpg

Experimental

Crystal data

  • [PtCl(C27H35N3)]Cl·C7H8
  • M r = 759.70
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1704-efi1.jpg
  • a = 9.4418 (3) Å
  • b = 20.0002 (7) Å
  • c = 17.2321 (6) Å
  • β = 91.948 (1)°
  • V = 3252.19 (19) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 4.51 mm−1
  • T = 100 K
  • 0.26 × 0.21 × 0.09 mm

Data collection

  • Bruker SMART APEXII CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 2007 [triangle]) T min = 0.387, T max = 0.677
  • 37919 measured reflections
  • 6647 independent reflections
  • 6232 reflections with I > 2σ(I)
  • R int = 0.030

Refinement

  • R[F 2 > 2σ(F 2)] = 0.032
  • wR(F 2) = 0.108
  • S = 1.05
  • 6647 reflections
  • 358 parameters
  • 14 restraints
  • H-atom parameters constrained
  • Δρmax = 1.47 e Å−3
  • Δρmin = −2.78 e Å−3

Data collection: APEX2 (Bruker, 2007 [triangle]); cell refinement: SAINT (Bruker, 2007 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: SHELXTL (Sheldrick, 2008 [triangle]) and Mercury (Macrae et al., 2008 [triangle]); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810048750/bv2164sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810048750/bv2164Isup2.hkl

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

Acknowledgments

We thank the Welch Foundation (AD-0007) for a chemistry department grant supporting undergraduate research.

supplementary crystallographic information

Comment

The bond distances and angles around the platinum atom in the title structure are all similar to the structures of the perchlorate (Lai, et al., 1999) and tetrafluoroborate salts (Batrice et al. 2010) of the [(tbtrpy)PtCl]+ complex. The cations in these structures all pack in head-to-tail dimers. Interestingly, the interplanar (Pt, Cl and N atoms) distance between the two cations seems to be related to the size of the anion with the Cl-, BF4-, and ClO4- being 3.283, 3.390, and 3.536 Å, respectively. In addition to a smaller counterion, the structure of the title complex contains a toluene molecule. This suggests that the solvent molecule may also influence the ability of these types of complexes to interact significantly with each other (Bailey, et al., 1995).

The short Pt(1)—Pt(1') distance, 3.2774 (3) Å, of the title complex is similar to the intermolecular Pt—Pt distance in the structures of [(trpy)PtCl]Cl, 3.397 Å, (Sengul, 2004) and [(trpy)PtCl]ClO4, 3.269 Å, (Bailey et al., 1995). This indicates that the bulky tert-Butyl groups of the tbtrpy ligand do not appear to restrict the ability of this complex to form suitable M—M and/or π-π interactions between the two molecules of the dimer.

The solvent molecule is disordered and occupies two positions with a ratio of 0.553 (6):0.447 (6).

Experimental

[(tbtrpy)PtCl]Cl was synthesized according to modifications on a published procedure (Howe-Grant et al., 1980). This [(tbtrpy)PtCl]+ complex was reacted with various aromatic thiol ligands (SAr). Crystals of the title compound were grown from the slow evaporation of an acetonitrile/toluene solution containing [(tbtrpy)Pt(SAr)]Cl and [(tbtrpy)PtCl]Cl.

Refinement

H atoms attached to C atoms were placed in idealized positions (C—H = 0.95–0.98 Å) and allowed to ride on their parent atoms. All H atoms were constrained so that Uiso(H) were equal to 1.2Ueq or 1.5Ueq of their respective parent atoms. The solvent molecule is disordered and occupies two positions with a ratio of 0.553 (6): 0.447 (6). Aromatic C atoms were fitted to a regular hexagon with default distances 1.390 Å (AFIX 66) and refined anisotropically. Both CH3 groups were refined anisotropically with fixed C—C distances as 1.51 Å. The largest peak in the final Fourier difference map (1.51 e Å-3) was located 1.40 Å from the several disordered C atoms of the solvent.

Figures

Fig. 1.
View of title complex (50% probability displacement ellipsoids) without the toluene solvate.
Fig. 2.
Mercury (Macrae,et al., 2008) rendition of head-to-tail packing with Pt—Pt' distance in 3.2774 (3) Å

Crystal data

[PtCl(C27H35N3)]Cl·C7H8F(000) = 1520
Mr = 759.70Dx = 1.552 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9878 reflections
a = 9.4418 (3) Åθ = 2.4–27.2°
b = 20.0002 (7) ŵ = 4.51 mm1
c = 17.2321 (6) ÅT = 100 K
β = 91.948 (1)°Plate, yellow
V = 3252.19 (19) Å30.26 × 0.21 × 0.09 mm
Z = 4

Data collection

Bruker SMART APEXII CCD diffractometer6647 independent reflections
Radiation source: fine-focus sealed tube6232 reflections with I > 2σ(I)
graphiteRint = 0.030
ω scansθmax = 26.4°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2007)h = −11→11
Tmin = 0.387, Tmax = 0.677k = −24→24
37919 measured reflectionsl = −21→21

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.108H-atom parameters constrained
S = 1.05w = 1/[σ2(Fo2) + (0.080P)2 + 5.P] where P = (Fo2 + 2Fc2)/3
6647 reflections(Δ/σ)max = 0.008
358 parametersΔρmax = 1.47 e Å3
14 restraintsΔρmin = −2.78 e Å3

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 taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used 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 and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on 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*/UeqOcc. (<1)
Pt10.588936 (16)0.429628 (7)0.502253 (9)0.01709 (9)
Cl10.80289 (11)0.48538 (5)0.50311 (6)0.0234 (2)
N10.5430 (5)0.43245 (16)0.3872 (2)0.0212 (8)
N20.4112 (3)0.38083 (19)0.50120 (19)0.0192 (8)
N30.5802 (4)0.40887 (18)0.6163 (2)0.0176 (7)
C10.4201 (6)0.3997 (3)0.3663 (3)0.0343 (7)
C20.3788 (6)0.3916 (3)0.2892 (3)0.0343 (7)
H2A0.29300.36900.27590.041*
C30.4636 (7)0.4170 (2)0.2303 (3)0.0317 (11)
C40.5847 (6)0.4531 (3)0.2542 (3)0.0346 (12)
H4A0.64200.47340.21660.041*
C50.6209 (5)0.4591 (2)0.3320 (3)0.0276 (10)
H5A0.70430.48310.34680.033*
C60.3424 (5)0.3720 (2)0.4324 (2)0.0189 (8)
C70.2114 (5)0.3402 (2)0.4302 (3)0.0210 (9)
H7A0.16190.33280.38200.025*
C80.1530 (4)0.3190 (2)0.4998 (2)0.0190 (8)
C90.2314 (4)0.3270 (2)0.5698 (3)0.0197 (8)
H9A0.19570.31100.61710.024*
C100.3625 (4)0.3590 (2)0.5688 (2)0.0171 (8)
C110.4619 (4)0.3728 (2)0.6359 (2)0.0177 (8)
C120.4448 (4)0.3510 (2)0.7101 (2)0.0194 (8)
H12A0.36200.32670.72220.023*
C130.5482 (5)0.3639 (2)0.7686 (2)0.0204 (8)
C140.6643 (5)0.4025 (2)0.7476 (3)0.0232 (9)
H14A0.73480.41440.78580.028*
C150.6773 (5)0.4234 (2)0.6722 (3)0.0211 (9)
H15A0.75790.44890.65920.025*
C160.4265 (8)0.4015 (3)0.1449 (3)0.0423 (15)
C170.4511 (8)0.3261 (3)0.1326 (3)0.0464 (15)
H17A0.38920.30060.16610.070*
H17B0.55030.31530.14570.070*
H17C0.42960.31470.07820.070*
C180.2729 (9)0.4188 (3)0.1272 (4)0.058 (2)
H18A0.25540.46530.14210.087*
H18B0.21190.38910.15650.087*
H18C0.25200.41330.07150.087*
C190.5205 (11)0.4413 (4)0.0910 (3)0.072 (3)
H19A0.50570.48920.09920.109*
H19B0.49590.42990.03690.109*
H19C0.62010.43020.10240.109*
C200.0069 (5)0.2843 (2)0.4993 (3)0.0242 (9)
C21−0.0735 (5)0.3042 (3)0.5714 (3)0.0385 (13)
H21A−0.16530.28140.57080.058*
H21B−0.08850.35270.57130.058*
H21C−0.01810.29140.61810.058*
C220.0365 (7)0.2091 (3)0.5021 (5)0.061 (2)
H22A−0.05320.18480.50530.092*
H22B0.09720.19880.54780.092*
H22C0.08430.19560.45500.092*
C23−0.0820 (5)0.3035 (3)0.4267 (3)0.0364 (12)
H23A−0.17830.28590.43100.055*
H23B−0.03890.28460.38070.055*
H23C−0.08570.35230.42220.055*
C240.5345 (5)0.3346 (2)0.8503 (3)0.0256 (9)
C250.3910 (5)0.3546 (3)0.8826 (3)0.0318 (11)
H25A0.38470.33800.93590.048*
H25B0.31430.33520.85020.048*
H25C0.38240.40350.88250.048*
C260.6550 (5)0.3573 (3)0.9056 (3)0.0318 (11)
H26A0.64200.33780.95710.048*
H26B0.65440.40610.90950.048*
H26C0.74580.34240.88580.048*
C270.5403 (6)0.2585 (3)0.8428 (3)0.0352 (12)
H27A0.53930.23820.89460.053*
H27B0.62740.24560.81730.053*
H27C0.45800.24290.81170.053*
Cl20.14340 (13)0.24444 (6)0.74948 (7)0.0315 (3)
C1A0.9381 (7)0.0032 (4)0.6429 (3)0.067 (4)0.553 (6)
C2A0.9481 (12)0.0561 (3)0.6952 (5)0.081 (5)0.553 (6)
H2AA0.94710.10080.67680.097*0.553 (6)
C3A0.9594 (12)0.0434 (4)0.7745 (4)0.068 (4)0.553 (6)
H3AA0.96620.07950.81030.081*0.553 (6)
C4A0.9608 (9)−0.0221 (5)0.8015 (3)0.050 (4)0.553 (6)
H4AA0.9686−0.03070.85570.060*0.553 (6)
C5A0.9509 (11)−0.0749 (3)0.7492 (5)0.049 (3)0.553 (6)
H5AA0.9518−0.11970.76760.059*0.553 (6)
C6A0.9395 (10)−0.0623 (3)0.6699 (4)0.059 (3)0.553 (6)
H6AA0.9327−0.09840.63420.070*0.553 (6)
C7A0.9269 (10)0.0104 (4)0.5583 (4)0.0343 (7)0.553 (6)
H7AA0.8482−0.01700.53780.051*0.553 (6)
H7AB1.0154−0.00450.53570.051*0.553 (6)
H7AC0.90970.05740.54490.051*0.553 (6)
C1B0.9217 (9)0.0531 (4)0.6741 (5)0.067 (4)0.447 (6)
C2B0.9072 (14)−0.0135 (5)0.6522 (5)0.081 (5)0.447 (6)
H2BA0.8806−0.02450.60010.097*0.447 (6)
C3B0.9319 (16)−0.0640 (4)0.7064 (7)0.068 (4)0.447 (6)
H3BA0.9220−0.10950.69140.081*0.447 (6)
C4B0.9709 (13)−0.0479 (5)0.7826 (6)0.050 (4)0.447 (6)
H4BA0.9877−0.08240.81970.060*0.447 (6)
C5B0.9853 (13)0.0187 (5)0.8046 (4)0.049 (3)0.447 (6)
H5BA1.01200.02970.85670.059*0.447 (6)
C6B0.9607 (12)0.0692 (4)0.7504 (5)0.059 (3)0.447 (6)
H6BA0.97060.11470.76540.070*0.447 (6)
C7B0.8956 (12)0.1064 (5)0.6175 (6)0.0343 (7)0.447 (6)
H7BA0.98560.12030.59590.051*0.447 (6)
H7BB0.85200.14460.64310.051*0.447 (6)
H7BC0.83180.09010.57570.051*0.447 (6)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Pt10.01831 (12)0.01521 (12)0.01768 (12)−0.00046 (5)−0.00049 (7)−0.00152 (5)
Cl10.0202 (5)0.0217 (5)0.0284 (5)−0.0019 (4)0.0007 (4)0.0000 (4)
N10.030 (2)0.0149 (18)0.0188 (19)0.0005 (13)0.0009 (16)−0.0026 (13)
N20.023 (2)0.0140 (18)0.0207 (19)0.0014 (13)−0.0033 (15)0.0005 (12)
N30.0180 (17)0.0145 (16)0.0199 (17)−0.0012 (14)−0.0036 (14)0.0012 (14)
C10.0421 (19)0.0285 (16)0.0320 (16)0.0018 (14)−0.0020 (14)0.0033 (13)
C20.0421 (19)0.0285 (16)0.0320 (16)0.0018 (14)−0.0020 (14)0.0033 (13)
C30.052 (3)0.020 (2)0.022 (2)−0.005 (2)−0.006 (2)0.0014 (19)
C40.058 (3)0.024 (2)0.022 (2)−0.006 (2)0.006 (2)−0.0009 (19)
C50.035 (3)0.023 (2)0.025 (2)−0.0054 (19)0.0051 (19)−0.0019 (18)
C60.022 (2)0.0164 (19)0.0178 (19)0.0026 (16)−0.0045 (16)−0.0031 (15)
C70.024 (2)0.0129 (19)0.026 (2)0.0012 (16)−0.0086 (17)−0.0027 (16)
C80.017 (2)0.0133 (19)0.026 (2)0.0001 (16)−0.0061 (16)−0.0029 (16)
C90.018 (2)0.016 (2)0.025 (2)0.0008 (16)−0.0044 (16)−0.0028 (16)
C100.018 (2)0.0146 (19)0.0185 (19)0.0003 (15)−0.0031 (15)−0.0009 (15)
C110.0162 (19)0.0140 (19)0.023 (2)−0.0018 (15)−0.0022 (16)−0.0024 (15)
C120.020 (2)0.0142 (19)0.024 (2)−0.0014 (16)−0.0033 (16)−0.0012 (16)
C130.022 (2)0.020 (2)0.019 (2)0.0005 (16)−0.0052 (16)−0.0010 (16)
C140.025 (2)0.021 (2)0.023 (2)−0.0040 (18)−0.0066 (17)−0.0028 (17)
C150.021 (2)0.019 (2)0.024 (2)−0.0023 (16)−0.0040 (18)−0.0015 (16)
C160.085 (5)0.024 (3)0.018 (2)−0.020 (3)−0.005 (3)0.000 (2)
C170.085 (5)0.030 (3)0.025 (3)−0.018 (3)0.009 (3)−0.006 (2)
C180.098 (6)0.037 (3)0.037 (3)−0.009 (3)−0.031 (4)0.002 (3)
C190.150 (8)0.052 (4)0.016 (3)−0.061 (5)0.006 (4)0.000 (3)
C200.017 (2)0.019 (2)0.036 (2)−0.0056 (17)−0.0070 (18)−0.0045 (18)
C210.023 (2)0.060 (4)0.032 (3)−0.010 (2)−0.003 (2)0.005 (2)
C220.038 (3)0.020 (3)0.124 (7)−0.009 (2)−0.016 (4)−0.002 (3)
C230.021 (2)0.057 (4)0.031 (3)−0.009 (2)−0.005 (2)−0.010 (2)
C240.031 (2)0.024 (2)0.021 (2)−0.0055 (18)−0.0064 (18)0.0030 (18)
C250.034 (3)0.042 (3)0.019 (2)−0.008 (2)−0.0038 (19)0.000 (2)
C260.036 (3)0.038 (3)0.021 (2)−0.006 (2)−0.0103 (19)0.006 (2)
C270.051 (3)0.026 (3)0.027 (2)−0.004 (2)−0.015 (2)0.010 (2)
Cl20.0288 (6)0.0344 (6)0.0309 (6)−0.0016 (5)−0.0036 (4)0.0147 (5)
C1A0.078 (8)0.071 (8)0.051 (6)−0.039 (8)−0.012 (6)0.013 (5)
C2A0.108 (12)0.087 (10)0.047 (6)−0.017 (9)−0.014 (7)−0.031 (6)
C3A0.049 (7)0.065 (7)0.090 (11)−0.009 (5)0.001 (6)−0.052 (8)
C4A0.022 (4)0.087 (12)0.043 (6)0.032 (5)0.017 (4)0.013 (7)
C5A0.042 (6)0.052 (6)0.055 (6)0.007 (4)0.007 (5)0.009 (5)
C6A0.042 (6)0.049 (6)0.086 (9)−0.014 (4)0.018 (6)−0.024 (5)
C7A0.0421 (19)0.0285 (16)0.0320 (16)0.0018 (14)−0.0020 (14)0.0033 (13)
C1B0.078 (8)0.071 (8)0.051 (6)−0.039 (8)−0.012 (6)0.013 (5)
C2B0.108 (12)0.087 (10)0.047 (6)−0.017 (9)−0.014 (7)−0.031 (6)
C3B0.049 (7)0.065 (7)0.090 (11)−0.009 (5)0.001 (6)−0.052 (8)
C4B0.022 (4)0.087 (12)0.043 (6)0.032 (5)0.017 (4)0.013 (7)
C5B0.042 (6)0.052 (6)0.055 (6)0.007 (4)0.007 (5)0.009 (5)
C6B0.042 (6)0.049 (6)0.086 (9)−0.014 (4)0.018 (6)−0.024 (5)
C7B0.0421 (19)0.0285 (16)0.0320 (16)0.0018 (14)−0.0020 (14)0.0033 (13)

Geometric parameters (Å, °)

Pt1—N21.941 (4)C21—H21A0.9800
Pt1—N32.013 (4)C21—H21B0.9800
Pt1—N12.015 (4)C21—H21C0.9800
Pt1—Cl12.3070 (10)C22—H22A0.9800
Pt1—Pt1i3.2774 (3)C22—H22B0.9800
N1—C51.333 (6)C22—H22C0.9800
N1—C11.371 (7)C23—H23A0.9800
N2—C101.340 (5)C23—H23B0.9800
N2—C61.344 (5)C23—H23C0.9800
N3—C151.338 (6)C24—C271.528 (7)
N3—C111.381 (5)C24—C261.529 (6)
C1—C21.381 (7)C24—C251.536 (7)
C1—C61.483 (7)C25—H25A0.9800
C2—C31.408 (8)C25—H25B0.9800
C2—H2A0.9500C25—H25C0.9800
C3—C41.402 (8)C26—H26A0.9800
C3—C161.531 (7)C26—H26B0.9800
C4—C51.378 (7)C26—H26C0.9800
C4—H4A0.9500C27—H27A0.9800
C5—H5A0.9500C27—H27B0.9800
C6—C71.391 (6)C27—H27C0.9800
C7—C81.402 (6)C1A—C2A1.3900
C7—H7A0.9500C1A—C6A1.3900
C8—C91.403 (6)C1A—C7A1.465 (6)
C8—C201.544 (6)C2A—C3A1.3900
C9—C101.393 (6)C2A—H2AA0.9500
C9—H9A0.9500C3A—C4A1.3900
C10—C111.490 (5)C3A—H3AA0.9500
C11—C121.365 (6)C4A—C5A1.3900
C12—C131.404 (6)C4A—H4AA0.9500
C12—H12A0.9500C5A—C6A1.3900
C13—C141.398 (6)C5A—H5AA0.9500
C13—C241.534 (6)C6A—H6AA0.9500
C14—C151.375 (7)C7A—H7AA0.9800
C14—H14A0.9500C7A—H7AB0.9800
C15—H15A0.9500C7A—H7AC0.9800
C16—C181.511 (11)C1B—C2B1.3900
C16—C191.530 (8)C1B—C6B1.3900
C16—C171.541 (8)C1B—C7B1.461 (6)
C17—H17A0.9800C2B—C3B1.3900
C17—H17B0.9800C2B—H2BA0.9500
C17—H17C0.9800C3B—C4B1.3900
C18—H18A0.9800C3B—H3BA0.9500
C18—H18B0.9800C4B—C5B1.3900
C18—H18C0.9800C4B—H4BA0.9500
C19—H19A0.9800C5B—C6B1.3900
C19—H19B0.9800C5B—H5BA0.9500
C19—H19C0.9800C6B—H6BA0.9500
C20—C221.529 (7)C7B—H7BA0.9800
C20—C211.530 (7)C7B—H7BB0.9800
C20—C231.532 (7)C7B—H7BC0.9800
N2—Pt1—N380.87 (14)C22—C20—C8106.3 (4)
N2—Pt1—N181.25 (15)C21—C20—C8110.2 (4)
N3—Pt1—N1162.06 (16)C23—C20—C8110.8 (4)
N2—Pt1—Cl1178.70 (11)C20—C21—H21A109.5
N3—Pt1—Cl199.11 (10)C20—C21—H21B109.5
N1—Pt1—Cl198.72 (12)H21A—C21—H21B109.5
C5—N1—C1119.1 (4)C20—C21—H21C109.5
C5—N1—Pt1127.4 (3)H21A—C21—H21C109.5
C1—N1—Pt1113.4 (3)H21B—C21—H21C109.5
C10—N2—C6123.7 (4)C20—C22—H22A109.5
C10—N2—Pt1118.5 (3)C20—C22—H22B109.5
C6—N2—Pt1117.8 (3)H22A—C22—H22B109.5
C15—N3—C11118.5 (4)C20—C22—H22C109.5
C15—N3—Pt1127.4 (3)H22A—C22—H22C109.5
C11—N3—Pt1114.0 (3)H22B—C22—H22C109.5
N1—C1—C2121.2 (5)C20—C23—H23A109.5
N1—C1—C6114.4 (4)C20—C23—H23B109.5
C2—C1—C6124.4 (5)H23A—C23—H23B109.5
C1—C2—C3120.2 (5)C20—C23—H23C109.5
C1—C2—H2A119.9H23A—C23—H23C109.5
C3—C2—H2A119.9H23B—C23—H23C109.5
C4—C3—C2116.8 (5)C27—C24—C26108.7 (4)
C4—C3—C16122.9 (5)C27—C24—C13107.4 (4)
C2—C3—C16120.2 (5)C26—C24—C13112.0 (4)
C5—C4—C3120.3 (5)C27—C24—C25109.0 (4)
C5—C4—H4A119.9C26—C24—C25110.1 (4)
C3—C4—H4A119.9C13—C24—C25109.6 (4)
N1—C5—C4122.3 (5)C24—C25—H25A109.5
N1—C5—H5A118.8C24—C25—H25B109.5
C4—C5—H5A118.8H25A—C25—H25B109.5
N2—C6—C7119.1 (4)C24—C25—H25C109.5
N2—C6—C1113.1 (4)H25A—C25—H25C109.5
C7—C6—C1127.8 (4)H25B—C25—H25C109.5
C6—C7—C8119.3 (4)C24—C26—H26A109.5
C6—C7—H7A120.3C24—C26—H26B109.5
C8—C7—H7A120.3H26A—C26—H26B109.5
C7—C8—C9119.3 (4)C24—C26—H26C109.5
C7—C8—C20120.6 (4)H26A—C26—H26C109.5
C9—C8—C20120.1 (4)H26B—C26—H26C109.5
C10—C9—C8119.1 (4)C24—C27—H27A109.5
C10—C9—H9A120.5C24—C27—H27B109.5
C8—C9—H9A120.5H27A—C27—H27B109.5
N2—C10—C9119.4 (4)C24—C27—H27C109.5
N2—C10—C11112.9 (4)H27A—C27—H27C109.5
C9—C10—C11127.7 (4)H27B—C27—H27C109.5
C12—C11—N3121.2 (4)C2A—C1A—C6A120.0
C12—C11—C10125.2 (4)C2A—C1A—C7A124.9 (5)
N3—C11—C10113.6 (4)C6A—C1A—C7A115.1 (5)
C11—C12—C13120.8 (4)C3A—C2A—C1A120.0
C11—C12—H12A119.6C3A—C2A—H2AA120.0
C13—C12—H12A119.6C1A—C2A—H2AA120.0
C14—C13—C12116.6 (4)C4A—C3A—C2A120.0
C14—C13—C24122.7 (4)C4A—C3A—H3AA120.0
C12—C13—C24120.7 (4)C2A—C3A—H3AA120.0
C15—C14—C13120.5 (4)C3A—C4A—C5A120.0
C15—C14—H14A119.7C3A—C4A—H4AA120.0
C13—C14—H14A119.7C5A—C4A—H4AA120.0
N3—C15—C14122.2 (4)C4A—C5A—C6A120.0
N3—C15—H15A118.9C4A—C5A—H5AA120.0
C14—C15—H15A118.9C6A—C5A—H5AA120.0
C18—C16—C19109.3 (6)C5A—C6A—C1A120.0
C18—C16—C3109.6 (5)C5A—C6A—H6AA120.0
C19—C16—C3111.1 (5)C1A—C6A—H6AA120.0
C18—C16—C17110.2 (5)C2B—C1B—C6B120.0
C19—C16—C17109.3 (6)C2B—C1B—C7B120.3 (5)
C3—C16—C17107.4 (4)C6B—C1B—C7B119.7 (5)
C16—C17—H17A109.5C1B—C2B—C3B120.0
C16—C17—H17B109.5C1B—C2B—H2BA120.0
H17A—C17—H17B109.5C3B—C2B—H2BA120.0
C16—C17—H17C109.5C4B—C3B—C2B120.0
H17A—C17—H17C109.5C4B—C3B—H3BA120.0
H17B—C17—H17C109.5C2B—C3B—H3BA120.0
C16—C18—H18A109.5C3B—C4B—C5B120.0
C16—C18—H18B109.5C3B—C4B—H4BA120.0
H18A—C18—H18B109.5C5B—C4B—H4BA120.0
C16—C18—H18C109.5C4B—C5B—C6B120.0
H18A—C18—H18C109.5C4B—C5B—H5BA120.0
H18B—C18—H18C109.5C6B—C5B—H5BA120.0
C16—C19—H19A109.5C5B—C6B—C1B120.0
C16—C19—H19B109.5C5B—C6B—H6BA120.0
H19A—C19—H19B109.5C1B—C6B—H6BA120.0
C16—C19—H19C109.5C1B—C7B—H7BA109.5
H19A—C19—H19C109.5C1B—C7B—H7BB109.5
H19B—C19—H19C109.5H7BA—C7B—H7BB109.5
C22—C20—C21109.1 (5)C1B—C7B—H7BC109.5
C22—C20—C23111.5 (5)H7BA—C7B—H7BC109.5
C21—C20—C23108.9 (4)H7BB—C7B—H7BC109.5

Symmetry codes: (i) −x+1, −y+1, −z+1.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BV2164).

References

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