Information card for entry 7207856

Structure parameters

• Formula: C64 H58 Cu N2 O8
• Calculated formula: C64 H58 Cu N2 O8
• Title of publication: The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers
• Authors of publication: Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3658
• a: 15.603 ± 0.0002 Å
• b: 11.126 ± 0.0001 Å
• c: 29.859 ± 0.0003 Å
• α: 90°
• β: 90.711 ± 0.001°
• γ: 90°
• Cell volume: 5183.09 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No