Information card for entry 4073436

Structure parameters

• Formula: C25 H41 N Si3 Zr
• Calculated formula: C25 H41 N Si3 Zr
• SMILES: [C]1(#[C]([Si](C)(C)C)[Zr]23456789%101(C#[N]C(C)(C)C)[c]1([cH]2[cH]3[cH]4[cH]51)[Si]([c]16[cH]7[cH]8[cH]9[cH]%101)(C)C)[Si](C)(C)C
• Title of publication: Migratory Insertion of an Isocyanide into 1-Zirconacyclopent-3-ynes
• Authors of publication: Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4592
• a: 12.166 ± 0.002 Å
• b: 12.236 ± 0.002 Å
• c: 20.316 ± 0.004 Å
• α: 90°
• β: 97.04 ± 0.03°
• γ: 90°
• Cell volume: 3001.5 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No