Information card for entry 7101510

Structure parameters

• Formula: C40 H47 Cl6 N6 O2 V
• Calculated formula: C40 H47 Cl6 N6 O2 V
• Title of publication: Coordination of oxovanadium(V) in an expanded porphyrin macrocycle
• Authors of publication: Jonathan L. Sessler; Vincent Lynch; Elisa Tomat
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 43
• a: 12.4914 ± 0.0002 Å
• b: 13.0026 ± 0.0003 Å
• c: 14.8379 ± 0.0005 Å
• α: 89.426 ± 0.001°
• β: 88.093 ± 0.001°
• γ: 61.536 ± 0.001°
• Cell volume: 2117.44 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.248
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No