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Acta Crystallogr Sect E Struct Rep Online. 2010 July 1; 66(Pt 7): m817–m818.
Published online 2010 June 18. doi:  10.1107/S1600536810022518
PMCID: PMC3006862

Bis(1,10-phenanthroline-κ2 N,N′)(sulfato-κ2 O,O′)cadmium(II) propane-1,3-diol solvate

Abstract

In the title compound, [Cd(SO4)(C12H8N2)2]·C3H8O2, the CdII atom has a distorted octa­hedral coordination composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O′-bidentate sulfate group. The two chelating NCCN groups subtend a dihedral angle of 82.21 (9)°. The CdII ion, the S atom and the middle C atom of the propane-1,3-diol solvent mol­ecule are located on special positions, site symmetry 2. The solvate features a pair of O—H(...)O hydrogen bonds with the uncoordinated O atoms of the sulfate ion. The OH group of the propane-1,3-diol solvent is disordered over two positions of equal occupancy.

Related literature

For isostructural compounds, see: Cui et al. (2010 [triangle]); Ni et al. (2010 [triangle]); Zhong (2010a [triangle]). For the ethane-1,2-diol solvate of the title complex, see: Lu et al. (2006 [triangle]). For background to bidentate-chelating sulfate complexes, see: Zhong et al. (2006 [triangle], 2010b [triangle]); Zhu et al. (2006 [triangle]). For the preparation, see: Zhong et al. (2010a [triangle]). For background to coordination polymers, see: Batten & Robson (1998 [triangle]); Eddaoudi et al. (2001 [triangle]); Li et al. (2003 [triangle]).

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Object name is e-66-0m817-scheme1.jpg

Experimental

Crystal data

  • [Cd(SO4)(C12H8N2)2]·C3H8O2
  • M r = 644.98
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m817-efi2.jpg
  • a = 17.854 (4) Å
  • b = 12.520 (3) Å
  • c = 13.519 (3) Å
  • β = 123.01 (3)°
  • V = 2534.1 (13) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 1.00 mm−1
  • T = 223 K
  • 0.40 × 0.30 × 0.20 mm

Data collection

  • Rigaku Mercury CCD diffractometer
  • Absorption correction: multi-scan (REQAB; Jacobson, 1998 [triangle]) T min = 0.691, T max = 0.826
  • 8349 measured reflections
  • 2880 independent reflections
  • 2683 reflections with I > 2σ(I)
  • R int = 0.021

Refinement

  • R[F 2 > 2σ(F 2)] = 0.028
  • wR(F 2) = 0.072
  • S = 1.10
  • 2880 reflections
  • 178 parameters
  • 3 restraints
  • H-atom parameters constrained
  • Δρmax = 0.75 e Å−3
  • Δρmin = −0.65 e Å−3

Data collection: CrystalClear (Rigaku, 2007 [triangle]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: XP in SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXTL.

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

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810022518/bq2222sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810022518/bq2222Isup2.hkl

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

Acknowledgments

This work was supported by the Scientific Research Foundation of Nanjing College of Chemical Technology (grant No. NHKY-2010–17) and the Undergraduate Scientific and Technological Innovation Project of Nanjing College of Chemical Technology.

supplementary crystallographic information

Comment

The design and synthesis of new coordination polymers have attracted great attention in recent years, owing to their interesting structural topologies and potential application as functional materials (Batten & Robson,1998; Eddaoudi et al., 2001; Li et al., 2003). Four years ago, we attempted to synthesize mixed-ligand coordination polymers of transition metal with phen as second ligand via a ethanediol-solvothermal reaction, unexpectedly, we found the potentially interesting structure with bidentate-chelating sulfate ligand, e.g. [CdSO4(C12H8N2)2].C2H6O2, (II) (C12H8N2 is 1,10- phenanthroline; Lu et al., 2006), [CoSO4(C12H8N2)2].C2H6O2, (III) (Zhong et al.,, 2006), [ZnSO4(C12H8N2)2].C2H6O2, (IV) (Zhu et al., 2006). We report here the structure of [CdSO4(C12H8N2)2].C2H6O2, (I).

X-ray diffraction indicated that the title compound, (I) is isostructural to the recently reported cobalt(II), nickel(II) and zinc(II) structure with bidentate-chelating sulfate ligand (Zhong, 2010; Cui et al., 2010; Ni et al., 2010). The geometry of the phen and sulfate ligands is in good agreement with those reported in the three isomorphs complexes. The CdII metal ions has an octahedral coordination environment, with four N atoms from two phen ligands and two O atoms from a O,O'-bidentate sulfate group. The ZnII ion, S atom and the mid-carbon atom of the propane-1,3-diol solvent molecule lie on a special position of site symmetry 2 [symmetry code: -x + 1, y, - z + 1/2]. The dihedral angle (82.2°) between the two chelating NCCN groups are larger than that found in (II) [74.5°; Lu et al., 2006]. The Cd—N bond distance [2.3258 (19)–2.3441 (19) Å], the N—Cd—N bite angle [72.00 (7)°], the O—Cd—O bite angle [60.39 (8)°] and the Cd—O bond distance [2.3605 (17) Å] are are in good accord with those found in the (II) [71.91 (7)°, 2.327 (2)–2.343 (2) Å, 59.98 (9)° and 2.361 (2) Å, respectively]. Selected coordination bond distances and angles in Table 1. In the crystal structure, a pair of intermolecular O—H···O hydrogen bonds help to further stabilize structure (see Fig. 1 and Table 2).

Fig. 2 shows the crystal packing of the title compound. The molecular twofold axis is along the direction of the molecular dipole moment and the complexes are packed with their dipole moments alternately along the b axis directions.

Experimental

Colorless block-shaped crystal of the title compound was obtained by the similar route that described by Zhong (2010a), with ZnSO4.7H2O in place of NiSO4.7H2O

Refinement

All non-hydrogen atoms were refined anisotropically. All H atoms were placed in geometrically idealized positions and refined as riding atoms, with C—H = 0.97 Å and O—H = 0.82 Å; Uiso(H) = 1.2Ueq(C) and 1.5Ueq(O).

The central carbon of propane-1,3-diol solvent is disordered over two positions with site-occupancy factors of 1/2, sharing a common atom O3. The C13—O3 and C13'—O3 distances were restrained to 1.381 (5)Å and 1.387 (6) Å, respectively.

Figures

Fig. 1.
The molecular structure showing the atom-numbering scheme with displacement ellipsoids drawn at the 50% probability level. The dashed lines represent O—H···O interactions. Unlabeled atoms are related to the labeled atoms ...
Fig. 2.
Packing diagram of the title compound.

Crystal data

[Cd(SO4)(C12H8N2)2]·C3H8O2F(000) = 1304
Mr = 644.98Dx = 1.691 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 3776 reflections
a = 17.854 (4) Åθ = 3.1–27.5°
b = 12.520 (3) ŵ = 1.00 mm1
c = 13.519 (3) ÅT = 223 K
β = 123.01 (3)°Block, colorless
V = 2534.1 (13) Å30.40 × 0.30 × 0.20 mm
Z = 4

Data collection

Rigaku Mercury CCD diffractometer2880 independent reflections
Radiation source: fine-focus sealed tube2683 reflections with I > 2σ(I)
graphiteRint = 0.021
Detector resolution: 28.5714 pixels mm-1θmax = 27.5°, θmin = 3.1°
ω scansh = −19→23
Absorption correction: multi-scan (REQAB; Jacobson, 1998)k = −12→16
Tmin = 0.691, Tmax = 0.826l = −17→12
8349 measured reflections

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.028H-atom parameters constrained
wR(F2) = 0.072w = 1/[σ2(Fo2) + (0.0391P)2 + 2.1837P] where P = (Fo2 + 2Fc2)/3
S = 1.10(Δ/σ)max < 0.001
2880 reflectionsΔρmax = 0.75 e Å3
178 parametersΔρmin = −0.65 e Å3
3 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0053 (3)

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)
Cd10.50000.174163 (16)0.25000.02229 (10)
S10.5000−0.06039 (5)0.25000.01961 (16)
O10.51467 (11)0.01117 (13)0.34685 (14)0.0300 (3)
O20.57895 (10)−0.12744 (13)0.29112 (15)0.0306 (4)
N10.39140 (11)0.29051 (15)0.10875 (16)0.0222 (4)
N20.40091 (11)0.21462 (15)0.30577 (17)0.0234 (4)
C70.27252 (14)0.31996 (16)0.2610 (2)0.0237 (4)
C90.34479 (16)0.2062 (2)0.4312 (2)0.0306 (5)
H9A0.34980.17800.49820.037*
C20.32079 (15)0.39930 (19)−0.0655 (2)0.0295 (5)
H2A0.31940.4232−0.13160.035*
C80.27880 (15)0.27765 (19)0.3615 (2)0.0290 (5)
H8A0.23810.29830.38060.035*
C100.40478 (16)0.17602 (17)0.4000 (2)0.0275 (5)
H10A0.44930.12680.44720.033*
C60.20366 (14)0.39348 (18)0.1827 (2)0.0282 (5)
H6A0.16190.41590.19910.034*
C110.33584 (13)0.28613 (16)0.23634 (19)0.0207 (4)
C50.19881 (15)0.43057 (17)0.0856 (2)0.0272 (5)
H5A0.15340.47770.03570.033*
C40.26246 (13)0.39846 (17)0.05810 (19)0.0232 (4)
C30.25909 (15)0.43470 (18)−0.0429 (2)0.0283 (5)
H3A0.21500.4826−0.09410.034*
C10.38597 (16)0.32669 (17)0.0124 (2)0.0268 (5)
H1A0.42740.3025−0.00390.032*
C120.33059 (14)0.32544 (15)0.13234 (19)0.0204 (4)
C140.5000−0.4518 (3)0.25000.0452 (10)
O30.55944 (17)−0.32203 (16)0.1763 (2)0.0548 (6)
H3B0.5502−0.26070.18830.082*
C13'0.5787 (6)−0.3855 (7)0.2714 (7)0.084 (2)*0.50
H13A0.5986−0.34010.33960.101*0.50
H13B0.6276−0.43300.28970.101*0.50
C130.4872 (3)−0.3854 (4)0.1485 (4)0.0295 (10)*0.50
H13E0.4749−0.43290.08460.035*0.50
H13C0.4354−0.34000.12010.035*0.50
H14A0.4484−0.49760.22160.035*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Cd10.01994 (13)0.02154 (14)0.02924 (15)0.0000.01589 (10)0.000
S10.0176 (3)0.0208 (4)0.0207 (4)0.0000.0106 (3)0.000
O10.0381 (9)0.0256 (7)0.0242 (8)0.0034 (7)0.0156 (7)−0.0016 (6)
O20.0249 (8)0.0319 (9)0.0366 (9)0.0073 (6)0.0178 (7)0.0025 (7)
N10.0218 (9)0.0223 (9)0.0254 (9)−0.0008 (7)0.0147 (7)−0.0011 (7)
N20.0227 (9)0.0231 (9)0.0274 (10)0.0011 (7)0.0155 (8)0.0017 (7)
C70.0225 (10)0.0246 (11)0.0262 (11)−0.0013 (7)0.0147 (9)−0.0048 (9)
C90.0363 (12)0.0335 (12)0.0301 (12)0.0001 (10)0.0234 (11)0.0029 (10)
C20.0349 (12)0.0303 (12)0.0250 (11)−0.0036 (10)0.0174 (10)0.0012 (10)
C80.0297 (11)0.0317 (12)0.0341 (13)0.0002 (9)0.0229 (10)−0.0019 (10)
C100.0273 (11)0.0278 (12)0.0304 (12)0.0026 (8)0.0177 (10)0.0051 (9)
C60.0236 (10)0.0301 (12)0.0332 (12)0.0040 (8)0.0170 (9)−0.0054 (10)
C110.0198 (9)0.0191 (10)0.0247 (11)−0.0017 (7)0.0131 (8)−0.0027 (8)
C50.0235 (10)0.0252 (11)0.0292 (12)0.0045 (8)0.0119 (9)−0.0017 (9)
C40.0224 (10)0.0204 (10)0.0243 (10)−0.0011 (8)0.0112 (8)−0.0030 (8)
C30.0271 (11)0.0266 (12)0.0257 (11)0.0009 (8)0.0107 (9)0.0016 (9)
C10.0293 (11)0.0276 (12)0.0293 (12)−0.0022 (8)0.0196 (10)−0.0023 (9)
C120.0189 (9)0.0192 (10)0.0231 (10)−0.0022 (7)0.0115 (8)−0.0029 (8)
C140.050 (2)0.0260 (19)0.060 (3)0.0000.030 (2)0.000
O30.0824 (17)0.0422 (12)0.0729 (16)−0.0064 (10)0.0636 (15)−0.0086 (10)

Geometric parameters (Å, °)

Cd1—N2i2.3255 (19)C8—H8A0.9300
Cd1—N22.3255 (19)C10—H10A0.9300
Cd1—N1i2.344 (2)C6—C51.351 (3)
Cd1—N12.3439 (19)C6—H6A0.9300
Cd1—O1i2.3608 (17)C11—C121.444 (3)
Cd1—O12.3608 (17)C5—C41.432 (3)
Cd1—S12.9366 (10)C5—H5A0.9300
S1—O2i1.4652 (16)C4—C31.409 (3)
S1—O21.4652 (16)C4—C121.412 (3)
S1—O11.4873 (17)C3—H3A0.9300
S1—O1i1.4873 (17)C1—H1A0.9300
N1—C11.332 (3)C14—C13i1.512 (5)
N1—C121.360 (3)C14—C131.512 (5)
N2—C101.328 (3)C14—C13'1.518 (9)
N2—C111.358 (3)C14—C13'i1.518 (9)
C7—C81.405 (3)C14—H14A0.9699
C7—C111.407 (3)O3—C131.380 (5)
C7—C61.436 (3)O3—C13'1.385 (7)
C9—C81.367 (3)O3—H3B0.8200
C9—C101.400 (3)C13'—H13A0.9700
C9—H9A0.9300C13'—H13B0.9700
C2—C31.367 (3)C13—H13E0.9700
C2—C11.398 (3)C13—H13C0.9700
C2—H2A0.9300
N2i—Cd1—N2154.84 (9)N2—C10—C9122.8 (2)
N2i—Cd1—N1i72.00 (7)N2—C10—H10A118.6
N2—Cd1—N1i92.19 (7)C9—C10—H10A118.6
N2i—Cd1—N192.19 (7)C5—C6—C7120.8 (2)
N2—Cd1—N172.00 (7)C5—C6—H6A119.6
N1i—Cd1—N1103.15 (9)C7—C6—H6A119.6
N2i—Cd1—O1i83.26 (6)N2—C11—C7122.0 (2)
N2—Cd1—O1i119.60 (6)N2—C11—C12118.37 (18)
N1i—Cd1—O1i141.41 (6)C7—C11—C12119.60 (19)
N1—Cd1—O1i107.02 (6)C6—C5—C4121.1 (2)
N2i—Cd1—O1119.60 (6)C6—C5—H5A119.5
N2—Cd1—O183.26 (6)C4—C5—H5A119.5
N1i—Cd1—O1107.02 (6)C3—C4—C12117.6 (2)
N1—Cd1—O1141.41 (6)C3—C4—C5122.7 (2)
O1i—Cd1—O160.38 (8)C12—C4—C5119.7 (2)
N2i—Cd1—S1102.58 (5)C2—C3—C4119.9 (2)
N2—Cd1—S1102.58 (5)C2—C3—H3A120.1
N1i—Cd1—S1128.42 (5)C4—C3—H3A120.1
N1—Cd1—S1128.42 (5)N1—C1—C2123.0 (2)
O1i—Cd1—S130.19 (4)N1—C1—H1A118.5
O1—Cd1—S130.19 (4)C2—C1—H1A118.5
O2i—S1—O2110.10 (14)N1—C12—C4122.0 (2)
O2i—S1—O1110.53 (10)N1—C12—C11118.83 (18)
O2—S1—O1109.85 (10)C4—C12—C11119.14 (19)
O2i—S1—O1i109.85 (10)C13i—C14—C13113.3 (4)
O2—S1—O1i110.53 (10)C13i—C14—C13'82.0 (4)
O1—S1—O1i105.92 (14)C13—C14—C13'62.5 (4)
O2i—S1—Cd1124.95 (7)C13i—C14—C13'i62.5 (4)
O2—S1—Cd1124.95 (7)C13—C14—C13'i82.0 (4)
O1—S1—Cd152.96 (7)C13'—C14—C13'i113.7 (8)
O1i—S1—Cd152.96 (7)C13i—C14—H14A109.0
S1—O1—Cd196.85 (8)C13—C14—H14A109.0
C1—N1—C12118.56 (19)C13'—C14—H14A168.7
C1—N1—Cd1126.53 (15)C13'i—C14—H14A70.5
C12—N1—Cd1114.87 (14)C13—O3—C13'69.3 (4)
C10—N2—C11118.73 (19)C13—O3—H3B109.5
C10—N2—Cd1125.46 (15)C13'—O3—H3B109.2
C11—N2—Cd1115.78 (14)O3—C13'—C14113.6 (6)
C8—C7—C11117.7 (2)O3—C13'—H13A108.8
C8—C7—C6122.7 (2)C14—C13'—H13A108.8
C11—C7—C6119.6 (2)O3—C13'—H13B108.8
C8—C9—C10118.8 (2)C14—C13'—H13B108.8
C8—C9—H9A120.6H13A—C13'—H13B107.7
C10—C9—H9A120.6O3—C13—C14114.3 (3)
C3—C2—C1119.0 (2)O3—C13—H13E108.7
C3—C2—H2A120.5C14—C13—H13E108.7
C1—C2—H2A120.5O3—C13—H13C108.7
C9—C8—C7119.9 (2)C14—C13—H13C108.7
C9—C8—H8A120.1H13E—C13—H13C107.6
C7—C8—H8A120.1
N2i—Cd1—S1—O2i−140.99 (10)N1—Cd1—N2—C11−3.31 (14)
N2—Cd1—S1—O2i39.01 (10)O1i—Cd1—N2—C11−103.06 (15)
N1i—Cd1—S1—O2i142.14 (10)O1—Cd1—N2—C11−153.30 (15)
N1—Cd1—S1—O2i−37.86 (10)S1—Cd1—N2—C11−129.96 (14)
O1i—Cd1—S1—O2i−89.51 (12)C10—C9—C8—C7−0.4 (4)
O1—Cd1—S1—O2i90.49 (12)C11—C7—C8—C9−0.1 (3)
N2i—Cd1—S1—O239.01 (10)C6—C7—C8—C9178.6 (2)
N2—Cd1—S1—O2−140.99 (10)C11—N2—C10—C9−0.3 (3)
N1i—Cd1—S1—O2−37.86 (10)Cd1—N2—C10—C9177.81 (17)
N1—Cd1—S1—O2142.14 (10)C8—C9—C10—N20.6 (4)
O1i—Cd1—S1—O290.49 (12)C8—C7—C6—C5−178.6 (2)
O1—Cd1—S1—O2−89.51 (12)C11—C7—C6—C50.0 (3)
N2i—Cd1—S1—O1128.52 (9)C10—N2—C11—C7−0.3 (3)
N2—Cd1—S1—O1−51.48 (9)Cd1—N2—C11—C7−178.50 (15)
N1i—Cd1—S1—O151.65 (10)C10—N2—C11—C12−178.31 (19)
N1—Cd1—S1—O1−128.35 (10)Cd1—N2—C11—C123.4 (2)
O1i—Cd1—S1—O1180.0C8—C7—C11—N20.4 (3)
N2i—Cd1—S1—O1i−51.48 (9)C6—C7—C11—N2−178.3 (2)
N2—Cd1—S1—O1i128.52 (9)C8—C7—C11—C12178.45 (19)
N1i—Cd1—S1—O1i−128.35 (10)C6—C7—C11—C12−0.2 (3)
N1—Cd1—S1—O1i51.65 (10)C7—C6—C5—C4−0.5 (3)
O1—Cd1—S1—O1i180.0C6—C5—C4—C3179.4 (2)
O2i—S1—O1—Cd1−118.93 (9)C6—C5—C4—C121.1 (3)
O2—S1—O1—Cd1119.38 (9)C1—C2—C3—C40.5 (3)
O1i—S1—O1—Cd10.0C12—C4—C3—C2−0.3 (3)
N2i—Cd1—O1—S1−61.43 (10)C5—C4—C3—C2−178.6 (2)
N2—Cd1—O1—S1129.74 (9)C12—N1—C1—C20.3 (3)
N1i—Cd1—O1—S1−140.02 (8)Cd1—N1—C1—C2−177.53 (16)
N1—Cd1—O1—S180.06 (12)C3—C2—C1—N1−0.5 (3)
O1i—Cd1—O1—S10.0C1—N1—C12—C40.0 (3)
N2i—Cd1—N1—C120.70 (18)Cd1—N1—C12—C4178.00 (15)
N2—Cd1—N1—C1−179.26 (19)C1—N1—C12—C11179.70 (19)
N1i—Cd1—N1—C192.72 (18)Cd1—N1—C12—C11−2.3 (2)
O1i—Cd1—N1—C1−62.92 (19)C3—C4—C12—N10.1 (3)
O1—Cd1—N1—C1−126.49 (17)C5—C4—C12—N1178.45 (19)
S1—Cd1—N1—C1−87.28 (18)C3—C4—C12—C11−179.68 (19)
N2i—Cd1—N1—C12−157.16 (14)C5—C4—C12—C11−1.3 (3)
N2—Cd1—N1—C122.88 (14)N2—C11—C12—N1−0.8 (3)
N1i—Cd1—N1—C12−85.14 (14)C7—C11—C12—N1−178.89 (19)
O1i—Cd1—N1—C12119.22 (14)N2—C11—C12—C4178.97 (19)
O1—Cd1—N1—C1255.65 (18)C7—C11—C12—C40.9 (3)
S1—Cd1—N1—C1294.86 (14)C13—O3—C13'—C14−4.0 (5)
N2i—Cd1—N2—C10−128.08 (18)C13i—C14—C13'—O3−117.7 (7)
N1i—Cd1—N2—C10−78.30 (19)C13—C14—C13'—O33.9 (5)
N1—Cd1—N2—C10178.6 (2)C13'i—C14—C13'—O3−62.5 (5)
O1i—Cd1—N2—C1078.82 (19)C13'—O3—C13—C144.1 (5)
O1—Cd1—N2—C1028.59 (18)C13i—C14—C13—O362.8 (3)
S1—Cd1—N2—C1051.92 (18)C13'—C14—C13—O3−3.9 (5)
N2i—Cd1—N2—C1150.04 (14)C13'i—C14—C13—O3118.1 (4)
N1i—Cd1—N2—C1199.81 (15)

Symmetry codes: (i) −x+1, y, −z+1/2.

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O3—H3B···O20.822.052.806 (3)153

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2222).

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