Information card for entry 1517820

Structure parameters

• Formula: C56 H62 Cu3 N12 O24 S2
• Calculated formula: C56 H62 Cu3 N12 O24 S2
• Title of publication: Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure
• Authors of publication: Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 405
• Pages of publication: 31 - 42
• a: 10.2538 ± 0.0007 Å
• b: 11.2279 ± 0.0008 Å
• c: 15.3232 ± 0.0011 Å
• α: 110.251 ± 0.001°
• β: 97.209 ± 0.001°
• γ: 105.779 ± 0.001°
• Cell volume: 1544.88 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No