Information card for entry 4088416

Structure parameters

• Formula: C18 H26 Ni5 S8
• Calculated formula: C18 H26 Ni5 S8
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ni]162345[S]2CC[S]3[Ni]4562[S]1CC[S]4[Ni]1235[S]3CC[S]4[Ni]56789([cH]%10[cH]8[cH]7[cH]6[cH]5%10)[S]5CC[S]1[Ni]23495
• Title of publication: Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2
• Authors of publication: Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 836
• a: 11.7655 ± 0.0006 Å
• b: 7.7431 ± 0.0004 Å
• c: 14.3399 ± 0.0007 Å
• α: 90°
• β: 107.707 ± 0.002°
• γ: 90°
• Cell volume: 1244.49 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 4
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No