Information card for entry 7011354

Structure parameters

• Common name: bis(dimethylmethoxysilyl)niobocen monohydride
• Chemical name: bis(cyclopentadienyl)bis(dimethylmethoxysilyl)hydride niobium(V)
• Formula: C16 H29 Nb O2 Si2
• Calculated formula: C16 H29 Nb O2 Si2
• SMILES: [NbH]12345678([Si](OC)(C)C)([Si](OC)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 7.7729 ± 0.0001 Å
• b: 10.5018 ± 0.0002 Å
• c: 13.0324 ± 0.0002 Å
• α: 70.1 ± 0.001°
• β: 72.739 ± 0.001°
• γ: 73.936 ± 0.001°
• Cell volume: 936.79 ± 0.03 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.0843
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No