Information card for entry 7015496

Structure parameters

• Formula: C14 H9 Br Co N4 O
• Calculated formula: C14 H9 Br3 Co N4 O
• Title of publication: New metal-anion radical framework materials: Co(II) compounds showing ferromagnetic to antiferromagnetic phase transition at about 344 K, and Zn(II) compounds exhibiting terminal anion ligand induced direct white-light-emission.
• Authors of publication: Yong, Guo-Ping; Li, Ying-Zhou; Li, Chong-Fu; Zhang, Yi-Man; She, Wen-Long
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4131 - 4139
• a: 11.189 ± 0.002 Å
• b: 8.0372 ± 0.0016 Å
• c: 15.294 ± 0.003 Å
• α: 90°
• β: 94.2 ± 0.03°
• γ: 90°
• Cell volume: 1371.7 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2716
• Weighted residual factors for all reflections included in the refinement: 0.2951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No