Information card for entry 4306960

Structure parameters

• Common name: (dimethylchlorosilyl)(dimethylfluorosilyl)niobocene hydrid
• Chemical name: bis(cyclopentadienyl)(dimethylchlorosilyl) (dimethylfluorosilyl)(hydrido) niobium (V)
• Formula: C14 H23 Cl F Nb Si2
• Calculated formula: C14 H23 Cl F Nb Si2
• SMILES: [NbH]12345678([Si](Cl)(C)C)([Si](F)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Syntheses and Structures of Asymmetric Bis(silyl) Niobocene Hydrides
• Authors of publication: Konstantin Yu. Dorogov; Muhammed Yousufuddin; Nam-Nhat Ho; Andrei V. Churakov; Lyudmila G. Kuzmina; Arthur J. Schultz; Sax A. Mason; Judith A. K. Howard; Dmitry A. Lemenovskii; Robert Bau; Georgii I. Nikonov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 147 - 160
• a: 14.6577 ± 0.0005 Å
• b: 9.0181 ± 0.0003 Å
• c: 25.8731 ± 0.0009 Å
• α: 90°
• β: 99.76 ± 0.001°
• γ: 90°
• Cell volume: 3370.5 ± 0.2 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No