Information card for entry 4332271

Structure parameters

• Formula: C102.25 H99.5 N13.1 O2.25 Zn
• Calculated formula: C102.25 H99.5 N13.1 O2.25 Zn
• 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: 14.4592 ± 0.0019 Å
• b: 18.004 ± 0.004 Å
• c: 19.772 ± 0.002 Å
• α: 97.654 ± 0.016°
• β: 100.365 ± 0.01°
• γ: 112.803 ± 0.014°
• Cell volume: 4549 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2366
• Residual factor for significantly intense reflections: 0.1486
• Weighted residual factors for significantly intense reflections: 0.3432
• Weighted residual factors for all reflections included in the refinement: 0.4132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No