Information card for entry 8105445

Structure parameters

• Formula: C60 H40 Cu N4 O9
• Calculated formula: C60 H40 Cu N4 O9
• Title of publication: Crystal structure of catena-poly[(μ3-2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ3O:O′:O′′)-bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-k1 N)copper(II)], C60H40N4O9Cu
• Authors of publication: Li, Shi-Hui; Tang, Qian-Qian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1285 - 1287
• a: 9.6569 ± 0.0008 Å
• b: 10.3941 ± 0.0007 Å
• c: 24.9421 ± 0.0016 Å
• α: 97.162 ± 0.005°
• β: 90.953 ± 0.006°
• γ: 107.788 ± 0.007°
• Cell volume: 2361.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No