Information card for entry 3500042

Structure parameters

• Chemical name: Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate
• Formula: C48 H50 N16 O11 Zn
• Calculated formula: C48 H50 N16 O11 Zn
• Title of publication: Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate
• Authors of publication: Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 13.8436 ± 0.001 Å
• b: 13.9166 ± 0.001 Å
• c: 15.0218 ± 0.0011 Å
• α: 105.968 ± 0.001°
• β: 99.884 ± 0.001°
• γ: 113.157 ± 0.001°
• Cell volume: 2426.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes