Information card for entry 4336376

Structure parameters

• Common name: VCl(PMe2Ph)2(NtBu)2
• Formula: C24 H40 Cl N2 P2 V
• Calculated formula: C24 H40 Cl N2 P2 V
• SMILES: C(C)(C)(C)N=[V](=NC(C)(C)C)([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)Cl
• Title of publication: Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy
• Authors of publication: Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11650 - 11660
• a: 13.374 ± 0.002 Å
• b: 12.856 ± 0.002 Å
• c: 16.237 ± 0.003 Å
• α: 90°
• β: 93.158 ± 0.003°
• γ: 90°
• Cell volume: 2787.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No