Information card for entry 7223744

Structure parameters

• Formula: C18 H13 Co N16
• Calculated formula: C18 H13 Co N16
• SMILES: [Co]1234([N](=Nc5[n]1c1c([nH]5)cccc1)N=c1n2c[nH]n1)[N](=Nc1n4ncn1)N=c1n3c2c([nH]1)cccc2
• Title of publication: Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand
• Authors of publication: Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.3406 ± 0.0002 Å
• b: 15.9601 ± 0.0004 Å
• c: 16.1633 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.61 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No