Information card for entry 1562038

Structure parameters

• Formula: C12 H10 Br2 Fe N2 O6
• Calculated formula: C12 H10 Br2 Fe N2 O6
• Title of publication: Syntheses, crystal structures, and properties of new metal‒5-bromonicotinate coordination polymers
• Authors of publication: Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 225
• Pages of publication: 297 - 304
• a: 10.3809 ± 0.0004 Å
• b: 10.0687 ± 0.0005 Å
• c: 7.1115 ± 0.0004 Å
• α: 90°
• β: 98.281 ± 0.004°
• γ: 90°
• Cell volume: 735.56 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0404
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No