Information card for entry 2237020

Structure parameters

• Common name: Bis(1,3-diphenylpropane-1,3-dionato)methanolato-oxidovanadium(IV)
• Chemical name: <i>trans</i>-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate
• Formula: C33 H34 O8 V
• Calculated formula: C33 H34 O8 V
• SMILES: C1(=CC(=[O][V]2(=O)(O1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)[OH]C)c1ccccc1)c1ccccc1.OC.CO
• Title of publication: <i>trans</i>-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate
• Authors of publication: Pretorius, Carla; Venter, Johan A.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1442 - m1443
• a: 16.1411 ± 0.0001 Å
• b: 10.745 ± 0.0006 Å
• c: 18.5378 ± 0.0013 Å
• α: 90°
• β: 113.579 ± 0.002°
• γ: 90°
• Cell volume: 2946.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes