Information card for entry 7001944

Structure parameters

• Formula: C38.5 H52 Cl2 N4 V
• Calculated formula: C38.5 H48 Cl2 N4 V
• Title of publication: Synthesis and structure of early transition metal NHC complexes
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6972
• a: 13.2301 ± 0.0012 Å
• b: 13.2393 ± 0.0011 Å
• c: 42.922 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7518.1 ± 1.1 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.1665
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No