Information card for entry 7117731

Structure parameters

• Formula: C96 H122.5 Cl10.5 Mg2 N13 O2.5
• Calculated formula: C90 H109 Mg2 N13
• Title of publication: Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers
• Authors of publication: Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14107
• a: 13.281 ± 0.003 Å
• b: 26.435 ± 0.007 Å
• c: 28.814 ± 0.007 Å
• α: 90°
• β: 94.579 ± 0.005°
• γ: 90°
• Cell volume: 10084 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2385
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No