Information card for entry 4339600

Structure parameters

• Formula: C64 H69 Cl3 N Ni P3 S3 Si3
• Calculated formula: C64 H69 Cl3 N Ni P3 S3 Si3
• SMILES: [Ni]123(Cl)Sc4c([P]3(c3c(S1)c([Si](C)(C)C)ccc3)c1c(S[H]2)c([Si](C)(C)C)ccc1)cccc4[Si](C)(C)C.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 14.2634 ± 0.0002 Å
• b: 27.432 ± 0.0004 Å
• c: 17.2752 ± 0.0002 Å
• α: 90°
• β: 100.661 ± 0.0007°
• γ: 90°
• Cell volume: 6642.65 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• 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: 0.1179
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No