Information card for entry 7245430

Structure parameters

• Formula: C14 H16 Cl2 Co N8 O2
• Calculated formula: C14 H16 Cl2 Co N8 O2
• Title of publication: Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis
• Authors of publication: Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.0384 ± 0.0008 Å
• b: 10.3897 ± 0.0008 Å
• c: 12.6776 ± 0.0011 Å
• α: 90°
• β: 95.857 ± 0.01°
• γ: 90°
• Cell volume: 922.23 ± 0.15 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: 0.0326
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No