Information card for entry 7207854

Structure parameters

• Formula: C46 H38 Cu2 I4 N3 O10
• Calculated formula: C32 H19 Cu2 I4 N3 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: 12.797 ± 0.0005 Å
• b: 12.797 ± 0.0005 Å
• c: 39.098 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6402.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No