Information card for entry 4332273

Structure parameters

• Formula: C51 H59 Cl Cu Fe N11 O2
• Calculated formula: C51 H59 Cl Cu Fe N11 O2
• Title of publication: Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes
• Authors of publication: Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3686 - 3694
• a: 10.7996 ± 0.0015 Å
• b: 15.203 ± 0.003 Å
• c: 16.414 ± 0.002 Å
• α: 91.961 ± 0.018°
• β: 108.348 ± 0.012°
• γ: 106.412 ± 0.014°
• Cell volume: 2431.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No