Information card for entry 4112269

Structure parameters

• Formula: C49 H75 N2 P V
• Calculated formula: C49 H75 N2 P V
• SMILES: [V]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(CC(C)(C)C)=Pc1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond
• Authors of publication: Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1924 - 1925
• a: 21.442 ± 0.005 Å
• b: 23.415 ± 0.005 Å
• c: 20.355 ± 0.005 Å
• α: 90°
• β: 113.933 ± 0.006°
• γ: 90°
• Cell volume: 9341 ± 4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1548
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No