Information card for entry 4074019

Structure parameters

• Formula: C30 H50 Cl N Nb P2 Si
• Calculated formula: C30 H50 Cl N Nb P2 Si
• SMILES: [Nb]12([P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)(=C[Si](C)(C)C)Cl
• Title of publication: Niobium Bis-alkylidene Complexes Prepared by a Multi-Electron Redox Process
• Authors of publication: Kilgore, Uriah J.; Tomaszewski, John; Fan, Hongjun; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6132
• a: 9.797 ± 0.002 Å
• b: 16.224 ± 0.003 Å
• c: 21.789 ± 0.004 Å
• α: 90°
• β: 101.02 ± 0.03°
• γ: 90°
• Cell volume: 3399.4 ± 1.2 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 7
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No