Information card for entry 7223149

Structure parameters

• Formula: C41 H30 Cu2 N2 O8
• Calculated formula: C41 H30 Cu2 N2 O8
• Title of publication: Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence
• Authors of publication: Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 48
• Pages of publication: 9443
• a: 10.0555 ± 0.0015 Å
• b: 18.049 ± 0.003 Å
• c: 10.8042 ± 0.0017 Å
• α: 90°
• β: 107.127 ± 0.005°
• γ: 90°
• Cell volume: 1873.9 ± 0.5 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: 0.0595
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No