Information card for entry 7239252

Structure parameters

• Formula: C50 H74 Cu3 N12 O36
• Calculated formula: C50 H50 Cu3 N12 O36
• Title of publication: Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates
• Authors of publication: Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 48
• Pages of publication: 26220
• a: 7.3979 ± 0.0005 Å
• b: 14.413 ± 0.0008 Å
• c: 15.7932 ± 0.0009 Å
• α: 75.612 ± 0.005°
• β: 82.51 ± 0.005°
• γ: 78.59 ± 0.005°
• Cell volume: 1593.05 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No