Information card for entry 4332100

Structure parameters

• Formula: C51 H59 Cl Cu Mn N11 O2
• Calculated formula: C51 H59 Cl Cu Mn N11 O2
• 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: 10.0989 ± 0.0012 Å
• b: 16.4065 ± 0.0019 Å
• c: 18.618 ± 0.002 Å
• α: 65.0239 ± 0.0017°
• β: 88.119 ± 0.0019°
• γ: 75.6332 ± 0.0018°
• Cell volume: 2699.7 ± 0.5 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: 0.1108
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No