Information card for entry 4339592

Structure parameters

• Formula: C74 H112 Na Ni2 O8 P2 S6 Si6
• Calculated formula: C74 H112 Na Ni2 O8 P2 S6 Si6
• SMILES: c12cccc(c1S[Ni]13[P]2(c2cccc(c2S1)[Si](C)(C)C)c1cccc(c1S[Ni]12Sc4c([Si](C)(C)C)cccc4[P]2(c2c(c([Si](C)(C)C)ccc2)S3)c2cccc([Si](C)(C)C)c2S1)[Si](C)(C)C)[Si](C)(C)C.[O]1(CCCC1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1
• 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: 31.645 ± 0.0008 Å
• b: 21.516 ± 0.0008 Å
• c: 16.126 ± 0.001 Å
• α: 90 ± 0.002°
• β: 91.265 ± 0.002°
• γ: 90 ± 0.001°
• Cell volume: 10977.1 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.1379
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No