Information card for entry 7117732

Structure parameters

• Formula: C177 H219 Cl3 Mg4 N26
• Calculated formula: C177 H219 Cl3 Mg4 N26
• 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: 13.848 ± 0.005 Å
• b: 16.029 ± 0.005 Å
• c: 19.255 ± 0.005 Å
• α: 96.237 ± 0.005°
• β: 97.714 ± 0.005°
• γ: 105.938 ± 0.005°
• Cell volume: 4025 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No