Information card for entry 4074097

Structure parameters

• Common name: [2]ansasilanicklocenen
• Chemical name: [2]ansatetramethylsilanicklocenen
• Formula: C14 H20 Ni Si2
• Calculated formula: C14 H20 Ni Si2
• SMILES: [Ni]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[Si]([Si](C)(C)[c]15[cH]6[cH]7[cH]8[cH]91)(C)C
• Title of publication: Synthesis, Molecular Structure, and Reactivity of the First Strained [2]Silanickelocenophane
• Authors of publication: Braunschweig, Holger; Gross, Manuela; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6688
• a: 8.1406 ± 0.0002 Å
• b: 16.775 ± 0.0004 Å
• c: 21.4929 ± 0.0005 Å
• α: 90°
• β: 90.5 ± 0.001°
• γ: 90°
• Cell volume: 2934.93 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0412
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No