Information card for entry 4339594

Structure parameters

• Formula: C64 H68 Cl3 N Ni O0 P3 S3 Si3
• Calculated formula: C64 H68 Cl3 N Ni P3 S3 Si3
• SMILES: [Ni]12(Sc3c([P]2(c2c(S1)c([Si](C)(C)C)ccc2)c1c([S-])c([Si](C)(C)C)ccc1)cccc3[Si](C)(C)C)Cl.ClCCl.P(c1ccccc1)(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mononuclear Ni(II)-thiolate complexes with pendant thiol and dinuclear Ni(III/II)-thiolate complexes with Ni...Ni interaction regulated by the oxidation levels of nickels and the coordinated ligands.
• Authors of publication: Lee, Chien-Ming; Chiou, Tzung-Wen; Chen, Hsin-Hung; Chiang, Chao-Yi; Kuo, Ting-Shen; Liaw, Wen-Feng
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8913 - 8923
• a: 15.5901 ± 0.0007 Å
• b: 25.147 ± 0.0011 Å
• c: 17.6169 ± 0.0008 Å
• α: 90 ± 0.001°
• β: 101.469 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 6768.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No