Information card for entry 2201203

Structure parameters

• Formula: C54 H68 Cd2 Fe N4 P2 S8
• Calculated formula: C54 H68 Cd2 Fe N4 P2 S8
• SMILES: [Cd]12([S]=C(S1)N(CC)CC)([S]C(S2)N(CC)CC)[P](c1ccccc1)(c1ccccc1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[c]19[P](c1ccccc1)(c1ccccc1)[Cd]12([S]=C(S1)N(CC)CC)([S]C(S2)N(CC)CC)
• Title of publication: [μ-1,1'-Bis(diphenylphosphino)ferrocene-<i>P,P</i>']bis[bis(<i>N,N</i>-diethyldithiocarbamato-<i>S,S</i>')cadmium(II)]
• Authors of publication: Dee, Cathleen M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m136 - m138
• a: 16.6641 ± 0.0006 Å
• b: 13.1396 ± 0.0005 Å
• c: 27.8664 ± 0.0011 Å
• α: 90°
• β: 98.482 ± 0.001°
• γ: 90°
• Cell volume: 6034.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes