Information card for entry 7117733

Structure parameters

• Formula: C96 H121 Cl6 Mg2 N14 O2
• Calculated formula: C96 H121 Cl6 Mg2 N14 O2
• 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: 14.137 ± 0.005 Å
• b: 26.982 ± 0.005 Å
• c: 25.473 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.387 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9368 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No