Information card for entry 4074018

Structure parameters

• Formula: C36 H60 N Nb P2
• Calculated formula: C36 H60 N Nb P2
• SMILES: [Nb]12([P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)(=CC(C)(C)C)=CC(C)(C)C
• 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: 10.73 ± 0.004 Å
• b: 11.655 ± 0.004 Å
• c: 16.206 ± 0.006 Å
• α: 102.553 ± 0.009°
• β: 104.791 ± 0.009°
• γ: 103.862 ± 0.008°
• Cell volume: 1816.8 ± 1.2 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No