Information card for entry 4342825

Structure parameters

• Common name: XW01
• Formula: C24 H27 N4 O1.5 V
• Calculated formula: C24 H27 N4 O1.5 V
• SMILES: [V]123(=O)N4c5ccccc5N1C(=CC(=[N]2c1ccccc1[N]3=C(C=C4C)C)C)C.O(CC)CC
• Title of publication: Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.
• Authors of publication: Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5322 - 5328
• a: 24.1798 ± 0.0008 Å
• b: 7.666 ± 0.0002 Å
• c: 23.0702 ± 0.0008 Å
• α: 90°
• β: 95.51 ± 0.002°
• γ: 90°
• Cell volume: 4256.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No