Information card for entry 4305741

Structure parameters

• Common name: VO(tn-OEP)(py)
• Formula: C41 H45 N9 O9 V
• Calculated formula: C41 H45 N9 O9 V
• Title of publication: Axial Ligand Coordination in Sterically Strained Vanadyl Porphyrins: Synthesis, Structure, and Properties
• Authors of publication: Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9848 - 9856
• a: 18.1637 ± 0.0016 Å
• b: 22.4499 ± 0.0018 Å
• c: 9.7448 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3973.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No