Information card for entry 7239250

Structure parameters

• Formula: C66 H84 Cu3 N12 O40
• Calculated formula: C66 H84 Cu3 N12 O40
• 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: 11.0057 ± 0.0004 Å
• b: 14.0625 ± 0.0006 Å
• c: 14.8817 ± 0.0006 Å
• α: 104.224 ± 0.002°
• β: 104.901 ± 0.002°
• γ: 95.615 ± 0.002°
• Cell volume: 2125.4 ± 0.15 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: 0.0647
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No