Information card for entry 4305423

Structure parameters

• Formula: C10 H8 Cl3 Fe N2 O2
• Calculated formula: C10 H8 Cl3 Fe N2 O2
• Title of publication: Multi-Dimensional Transition-Metal Coordination Polymers of 4,4'-Bipyridine-N,N'-dioxide: 1D Chains and 2D Sheets
• Authors of publication: Junhua Jia; Alexander J. Blake; Neil R. Champness; Peter Hubberstey; Claire Wilson; Martin Schröder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8652 - 8664
• a: 12.3596 ± 0.0012 Å
• b: 9.1961 ± 0.0009 Å
• c: 12.5172 ± 0.0012 Å
• α: 90°
• β: 115.162 ± 0.001°
• γ: 90°
• Cell volume: 1287.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No