Information card for entry 7108514

Structure parameters

• Formula: C46 H34 Co N4 O7
• Calculated formula: C46 H32 Co N4 O7
• Title of publication: Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis
• Authors of publication: Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10757
• a: 13.5091 ± 0.0007 Å
• b: 13.5091 ± 0.0007 Å
• c: 36.8157 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5818.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No