Information card for entry 4303592

Structure parameters

• Formula: C46.75 H49.5 B3 Cu2 F13 N16 O2.25
• Calculated formula: C46.75 H49.5 B3 Cu2 F13 N16 O2.25
• Title of publication: Monofluoride Bridged, Binuclear Metallacycles of First Row Transition Metals Supported by Third Generation Bis(1-pyrazolyl)methane Ligands: Unusual Magnetic Properties
• Authors of publication: Daniel L. Reger; Elizabeth A. Foley; Russell P. Watson; Perry J. Pellechia; Mark D. Smith; Fernande Grandjean; Gary J. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10658 - 10669
• a: 13.3642 ± 0.0004 Å
• b: 13.8264 ± 0.0004 Å
• c: 16.4223 ± 0.0005 Å
• α: 83.887 ± 0.001°
• β: 76.783 ± 0.001°
• γ: 68.004 ± 0.001°
• Cell volume: 2738.35 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No