Information card for entry 4339597

Structure parameters

• Formula: C54 H74 Ni2 P2 S6 Si6
• Calculated formula: C54 H74 Ni2 P2 S6 Si6
• SMILES: [Ni]1234[Ni]56([S]1c1c([P]3(c3c(S2)c([Si](C)(C)C)ccc3)c2c(S)c([Si](C)(C)C)ccc2)cccc1[Si](C)(C)C)[S]4c1c([P]5(c2c(S6)c([Si](C)(C)C)ccc2)c2c(S)c([Si](C)(C)C)ccc2)cccc1[Si](C)(C)C
• 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: 22.6545 ± 0.0008 Å
• b: 11.7349 ± 0.0005 Å
• c: 25.6568 ± 0.001 Å
• α: 90°
• β: 101.133 ± 0.002°
• γ: 90°
• Cell volume: 6692.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1386
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No