Information card for entry 7230888

Structure parameters

• Chemical name: triethylammonium (m3-hydroxido)(tris-m-pyrazolido)tribenzoato tricopper(II)
• Formula: C36 H43 Cu3 N7 O8
• Calculated formula: C36 H43 Cu3 N7 O8
• Title of publication: Interactions between H-bonded [Cu(μ₃-OH)] triangles; a combined magnetic susceptibility and EPR study.
• Authors of publication: Mathivathanan, Logesh; Boudalis, Athanassios K.; Turek, Philippe; Pissas, Michael; Sanakis, Yiannis; Raptis, Raphael G.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 17234 - 17244
• a: 11.417 ± 0.002 Å
• b: 12.317 ± 0.003 Å
• c: 15.889 ± 0.003 Å
• α: 73.446 ± 0.002°
• β: 79.252 ± 0.002°
• γ: 65.891 ± 0.002°
• Cell volume: 1948.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No