Information card for entry 1508079

Structure parameters

• Formula: C52 H61 Cu12 N34 O10
• Calculated formula: C52 H59.5 Cu12 N34 O10
• Title of publication: Three new multinuclear motifs in Cu(II)-pyrazolate chemistry
• Authors of publication: Mathivathanan, Logesh; Rivera-Carrillo, Marlyn; Raptis, Raphael G
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 391
• Pages of publication: 201 - 205
• a: 25.921 ± 0.005 Å
• b: 18.758 ± 0.004 Å
• c: 15.948 ± 0.003 Å
• α: 90°
• β: 103.004 ± 0.004°
• γ: 90°
• Cell volume: 7555 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2044
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No