Information card for entry 8106975

Structure parameters

• Formula: C44 H48 N4 O V
• Calculated formula: C44 H48 N4 O V
• Title of publication: Crystal structure of (N,N′-bis(2-(((2,6-diisopropylphenyl)imino)methyl)phenyl)benzene-1,2-diamido-κ4 O,O′,O′′,O′′′)oxidovanadium(IV), C44H48N4OV
• Authors of publication: Ji, Xiangdong; Gao, Wei; Mu, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 681 - 684
• a: 9.054 ± 0.001 Å
• b: 10.5416 ± 0.0011 Å
• c: 20.148 ± 0.002 Å
• α: 91.115 ± 0.002°
• β: 95.15 ± 0.002°
• γ: 99.63 ± 0.002°
• Cell volume: 1887.1 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No