Information card for entry 4313072

Structure parameters

• Formula: C28 H39 Cl2 N P2 V
• Calculated formula: C28 H39 Cl2 N P2 V
• SMILES: [V](Cl)(Cl)([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Crystal Structure of Unprecedented Phosphine Adducts of d1-Aryl Imido-Vanadium(IV) Complexes
• Authors of publication: Christian Lorber; Robert Choukroun; Bruno Donnadieu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 673 - 675
• a: 12.09 ± 0.002 Å
• b: 16.489 ± 0.003 Å
• c: 29.815 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5943.7 ± 1.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No