Information card for entry 4304766

Structure parameters

• Formula: C9 H7 B Br Cu F4 N4 O2
• Calculated formula: C9 H7 B Br Cu F4 N4 O2
• Title of publication: X-ray Crystal Structures, Electron Paramagnetic Resonance, and Magnetic Studies on Strongly Antiferromagnetically Coupled Mixed μ-Hydroxide-μ-N1,N2-Triazole-Bridged One Dimensional Linear Chain Copper(II) Complexes
• Authors of publication: Krzysztof Drabent; Zbigniew Ciunik; Andrzej Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3358 - 3365
• a: 6.755 ± 0.001 Å
• b: 7.174 ± 0.001 Å
• c: 14.894 ± 0.003 Å
• α: 90.52 ± 0.01°
• β: 96.09 ± 0.01°
• γ: 108.1 ± 0.01°
• Cell volume: 681.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1454
• 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