Information card for entry 7042585

Structure parameters

• Formula: C57 H47 Br Cu3 Mn O20 P2
• Calculated formula: C57 H43 Br Cu3 Mn O20 P2
• 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: 16.217 ± 0.0001 Å
• b: 17.9831 ± 0.0001 Å
• c: 19.6402 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5727.71 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No