Information card for entry 7004459

Structure parameters

• Formula: C81 H72 N8 O14
• Calculated formula: C81 H69 N8 O14
• Title of publication: Metalloporphyrin anion sensors: the effect of the metal centre on the anion binding properties of amide-functionalised and tetraphenyl metalloporphyrins
• Authors of publication: Cormode, David P.; Drew, Michael G. B.; Jagessar, Raymond; Beer, Paul D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6732 - 6741
• a: 12.727 ± 0.007 Å
• b: 25.271 ± 0.007 Å
• c: 23.357 ± 0.009 Å
• α: 90°
• β: 94.49 ± 0.01°
• γ: 90°
• Cell volume: 7489 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1757
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.3061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No