Information card for entry 2215407

Structure parameters

• Chemical name: μ-[Bis(3,3-dimethylbut-1-ynyl)diphenylsilane]bis[(cycloocta-1,5- diene)nickel(II)](<i>Ni—Ni</i>)
• Formula: C40 H52 Ni2 Si
• Calculated formula: C40 H52 Ni2 Si
• SMILES: [Ni]12345([Ni]6789([C]1(=[C]26[Si](C#CC(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)C)[CH]1=[CH]7CC[CH]8=[CH]9CC1)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• Title of publication: μ-[Bis(3,3-dimethylbut-1-ynyl)diphenylsilane]bis[(cycloocta-1,5-diene)nickel(II)](<i>Ni{—</i>Ni})
• Authors of publication: Imhof, Wolfgang; Klettke, Thomas; Walther, Dirk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2567 - m2567
• a: 10.167 ± 0.002 Å
• b: 9.617 ± 0.002 Å
• c: 18.11 ± 0.004 Å
• α: 90°
• β: 94.68 ± 0.03°
• γ: 90°
• Cell volume: 1764.8 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes