Information card for entry 7011353

Structure parameters

• Common name: dimethyl(diphenylphosphido)silyl niobocen dihydride
• Chemical name: bis(cyclopentadienyl)(dimethyl(diphenylphosphido)silyl)dihydride niobium(V)
• Formula: C24 H28 Nb P Si
• Calculated formula: C24 H28 Nb P Si
• SMILES: [NbH2]12345678([Si](P(c9ccccc9)c9ccccc9)(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: Niobocene hydrides with functionalised silyl ligands. Tuning of interligand hypervalent interactions (IHI) M‒H →Si‒X
• Authors of publication: Nikonov, Georgii I.; Kuzmina, Lyudmila G.; Howard, Judith A. K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3037
• a: 13.3692 ± 0.0002 Å
• b: 12.8331 ± 0.0001 Å
• c: 12.6511 ± 0.0002 Å
• α: 90°
• β: 92.848 ± 0.001°
• γ: 90°
• Cell volume: 2167.85 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for all reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0497
• Goodness-of-fit parameter for all reflections: 1.117
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No