Information card for entry 4303590

Structure parameters

• Formula: C42 H39 B2 F10 N17 Ni2
• Calculated formula: C42 H39 B2 F10 N17 Ni2
• 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: 9.1107 ± 0.0005 Å
• b: 14.448 ± 0.0008 Å
• c: 17.0858 ± 0.0009 Å
• α: 90°
• β: 93.202 ± 0.001°
• γ: 90°
• Cell volume: 2245.5 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No