Information card for entry 7042586

Structure parameters

• Formula: C57 H43 Br Co Cu3 O18 P2
• Calculated formula: C9 H3 Br Co Cu3 O18
• Title of publication: Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.
• Authors of publication: Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5260 - 5268
• a: 17.9181 ± 0.0007 Å
• b: 17.9181 ± 0.0007 Å
• c: 17.9181 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5752.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No