Information card for entry 8102371

Structure parameters

• Formula: C20 H18 Co N6 O6
• Calculated formula: C20 H18 Co N6 O6
• Title of publication: Crystal structure of bisaqua-(4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole)cobalt(II) terephthalate, Co(H2O)2(C12H10N6)(C8H4O4)
• Authors of publication: Xiao-Xia Tian; Shaobo Qu; Binke Wang; Xu Zhuo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 41
• a: 9.7383 ± 0.0009 Å
• b: 17.6513 ± 0.0015 Å
• c: 11.4488 ± 0.001 Å
• α: 90°
• β: 97.063 ± 0.004°
• γ: 90°
• Cell volume: 1953 ± 0.3 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: 0.0486
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No