Information card for entry 4340370

Structure parameters

• Formula: C57 H63 Cl9 Cu3 N4 O12
• Calculated formula: C57 H62.957 Cl9 Cu3 N4 O12
• Title of publication: Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.
• Authors of publication: Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7276 - 7287
• a: 21.9256 ± 0.0003 Å
• b: 12.308 ± 0.00015 Å
• c: 26.9809 ± 0.0004 Å
• α: 90°
• β: 102.766 ± 0.0012°
• γ: 90°
• Cell volume: 7101.09 ± 0.17 ų
• Cell temperature: 303 ± 0.9 K
• Ambient diffraction temperature: 303 ± 0.9 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: 0.0723
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No