Information card for entry 4332269

Structure parameters

• Formula: C59 H61 N13 O2 Zn
• Calculated formula: C59 H61 N13 O2 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: 12.7189 ± 0.0006 Å
• b: 15.0091 ± 0.0007 Å
• c: 16.2443 ± 0.0006 Å
• α: 108.615 ± 0.004°
• β: 96.78 ± 0.004°
• γ: 110.697 ± 0.004°
• Cell volume: 2654.3 ± 0.2 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: 0.0793
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No