Information card for entry 7015497

Structure parameters

• Formula: C18 H11 Co N4 O3
• Calculated formula: C18 H11 Co N4 O3
• 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: 9.8748 ± 0.0003 Å
• b: 7.5962 ± 0.0003 Å
• c: 21.3359 ± 0.0006 Å
• α: 90°
• β: 96.157 ± 0.002°
• γ: 90°
• Cell volume: 1591.19 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No