Information card for entry 7207850

Structure parameters

• Formula: C65.6 H61.5 Cu2 N2 O10.8
• Calculated formula: C68.6 H52.6 Cu2 N2 O9.8
• 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: 9.708 ± 0.0004 Å
• b: 14.111 ± 0.0009 Å
• c: 16.579 ± 0.001 Å
• α: 72.751 ± 0.002°
• β: 87.723 ± 0.004°
• γ: 71.095 ± 0.003°
• Cell volume: 2048 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No