Information card for entry 7239247

Structure parameters

• Formula: C28 H44 Cu N6 O16
• Calculated formula: C28 H44 Cu N6 O16
• 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: 14.0765 ± 0.0007 Å
• b: 9.4805 ± 0.0003 Å
• c: 15.3959 ± 0.0006 Å
• α: 90°
• β: 116.278 ± 0.005°
• γ: 90°
• Cell volume: 1842.29 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No