Information card for entry 7207855

Structure parameters

• Formula: C87.5 H101.5 I8 N10.5 O22.5 Zn4
• Calculated formula: C87.5 H101.5 I8 N10.5 O22.5 Zn4
• 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: 12.4072 ± 0.0008 Å
• b: 12.4082 ± 0.0007 Å
• c: 33.608 ± 0.002 Å
• α: 87.891 ± 0.002°
• β: 88.473 ± 0.002°
• γ: 83.785 ± 0.002°
• Cell volume: 5138.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No