Information card for entry 4312992

Structure parameters

• Formula: C68 H94 Cl2 N2 Nb2 O P2 Si2
• Calculated formula: C68 H92 Cl2 N2 Nb2 O P2 Si2
• SMILES: [Nb]1234([Si](Cl)(c5ccccc5)c5ccccc5)([P](C)(C)C)(=Nc5c(cccc5C(C)C)C(C)C)[cH]5[cH]4[cH]3[cH]2[cH]15.O(CC)CC
• Title of publication: Tantalizing Chemistry of the Half-Sandwich Silylhydride Complexes of Niobium: Identification of Likely Intermediates on the Way to Agostic Complexes
• Authors of publication: Georgii I. Nikonov; Philip Mountford; Stuart R. Dubberley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 258 - 260
• a: 21.03 ± 0.004 Å
• b: 8.73 ± 0.0017 Å
• c: 36.9 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6775 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No