Information card for entry 8105715

Structure parameters

• Formula: C38 H30 Cu3 N8 O20
• Calculated formula: C38 H30 Cu3 N8 O20
• Title of publication: The crystal structure of poly[diaqua-(μ3-5-nitrobenzene-1,2,3-tricarboxylato-κ 3 O:O′:O′)-(μ2-4,4′-dipyridylamine-κ 2 N:N′)copper(II)], C38H30Cu3N8O20
• Authors of publication: Hong, Dong-Feng; Chen, Ye; Zhu, Wen-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 429 - 431
• a: 7.2659 ± 0.0003 Å
• b: 11.7245 ± 0.0003 Å
• c: 12.6837 ± 0.0004 Å
• α: 77.466 ± 0.003°
• β: 73.915 ± 0.003°
• γ: 75.794 ± 0.003°
• Cell volume: 993.5 ± 0.06 ų
• Cell temperature: 290.7 ± 0.3 K
• Ambient diffraction temperature: 290.8 ± 0.3 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: 0.0393
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No