Information card for entry 4325823

Structure parameters

• Formula: C36 H30 Cu2 N6 O9
• Calculated formula: C36 H24 Cu2 N6 O6
• Title of publication: Synthesis, Structures, and Magnetism of Copper(II) and Manganese(II) Coordination Polymers with Azide and Pyridylbenzoates
• Authors of publication: Xiu-Mei Zhang; Yan-Qin Wang; You Song; En-Qing Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7284 - 7294
• a: 15.2793 ± 0.0012 Å
• b: 19.3066 ± 0.0016 Å
• c: 20.7718 ± 0.0016 Å
• α: 90°
• β: 99.01 ± 0.003°
• γ: 90°
• Cell volume: 6051.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No