Information card for entry 7228857

Structure parameters

• Common name: 1Cu
• Formula: C70 H68 Cu4 N4 O20
• Calculated formula: C70 H68 Cu4 N4 O20
• Title of publication: Coordination polymers from a flexible alkyldiamine-derived ligand
• Authors of publication: Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 30.23 ± 0.006 Å
• b: 27.415 ± 0.005 Å
• c: 26.578 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22027 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.3257
• Weighted residual factors for all reflections included in the refinement: 0.3668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No