Information card for entry 7042584

Structure parameters

• Formula: C114 H96 Br2 Cu6 O41 P4 Zn2
• Calculated formula: C114 H90 Br2 Cu6 O41 P4 Zn2
• 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: 17.5123 ± 0.0005 Å
• b: 18.1004 ± 0.0006 Å
• c: 18.1084 ± 0.0005 Å
• α: 90°
• β: 92.118 ± 0.002°
• γ: 90°
• Cell volume: 5736.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No