Information card for entry 7007743

Structure parameters

• Formula: C63.53 H54.06 Cl4 N9 O5.63 Zn
• Calculated formula: C63.532 H54.0648 Cl4 N9 O5.633 Zn
• Title of publication: Sulfate selective anion recognition by a novel tetra-imidazolium zinc metalloporphyrin receptor
• Authors of publication: Cormode, David P.; Murray, Sean S.; Cowley, Andrew R.; Beer, Paul D.
• Journal of publication: Dalton Transactions
• Year of publication: 2006
• Journal issue: 43
• Pages of publication: 5135
• a: 13.3651 ± 0.0002 Å
• b: 27.1137 ± 0.0003 Å
• c: 16.4073 ± 0.0002 Å
• α: 90°
• β: 92.2254 ± 0.001°
• γ: 90°
• Cell volume: 5941.15 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1648
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No