Information card for entry 8106161

Structure parameters

• Formula: C22 H14 Cu N O9
• Calculated formula: C22 H14 Cu N O9
• Title of publication: Hydrothermal synthesis and crystal structure of poly[bis(μ2-3-(3,5-dicarboxyphenoxy)phthalato-κ3 O,O′:O′′)-(μ2-1,2-di(pyridin-4-yl)ethane-κ2 N:N′)copper(II)], C22H14CuNO9
• Authors of publication: Yun-Ping, Li; Feng-Yang, Ju
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 387 - 389
• a: 7.9208 ± 0.0004 Å
• b: 10.2954 ± 0.0004 Å
• c: 13.1361 ± 0.0007 Å
• α: 72.719 ± 0.004°
• β: 79.598 ± 0.005°
• γ: 85.19 ± 0.004°
• Cell volume: 1005.53 ± 0.09 ų
• Cell temperature: 264 ± 1 K
• Ambient diffraction temperature: 264 ± 1 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: 0.0499
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No