Information card for entry 7111256

Structure parameters

• Chemical name: Hexafluorotetrakis(3{5}-tertbutylpyrazolido)octakis(5-tertbutylpyrazole)- hexacopper(II) difluoride bischloroform hemi-heptane solvate
• Formula: C89.5 H150 Cl6 Cu6 F8 N24
• Calculated formula: C89.5 H150 Cl6 Cu6 F8 N24
• Title of publication: A cyclic hexacopper(ii) fluoro complex that encapsulates two fluoride anionsElectronic supplementary information (ESI) available: observed and simulated EPR spectra for 2. See http://www.rsc.org/suppdata/cc/b2/b207923m/
• Authors of publication: Liu, Xiaoming; McLaughlin, Abbie C.; de Miranda, Marcelo P.; McInnes, Eric J. L.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2978
• a: 12.9428 ± 0.0001 Å
• b: 20.455 ± 0.0001 Å
• c: 24.9037 ± 0.0002 Å
• α: 67.7688 ± 0.0004°
• β: 82.1704 ± 0.0004°
• γ: 74.9426 ± 0.0003°
• Cell volume: 5888.18 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No