Information card for entry 4332101

Structure parameters

• Formula: C51.75 H59.75 Cl2.25 Cu N11 O3 V
• Calculated formula: C51 H47 Cu N11 O3 V
• Title of publication: Porphyrazines Peripherally Functionalized with Hybrid Ligands as Molecular Scaffolds for Bimetallic Metal-Ion Coordination
• Authors of publication: Zhong, Chang; Zhao, Min; Goslinski, Tomasz; Stern, Charlotte; Barrett, Anthony G. M.; Hoffman, Brian M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 3983 - 3989
• a: 10.2066 ± 0.0008 Å
• b: 14.4351 ± 0.0011 Å
• c: 19.0479 ± 0.0014 Å
• α: 75.901 ± 0.001°
• β: 75.288 ± 0.001°
• γ: 79.028 ± 0.001°
• Cell volume: 2607.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No