Information card for entry 8107136

Structure parameters

• Formula: C40 H36 Co N18
• Calculated formula: C40 H36 Co N18
• Title of publication: Crystal structure of bis(dicyanamido-κ1 N)-tetrakis[1-benzyl-1H-1,2,4-triazole-κ1 N]cobalt(II), CoC40H36N18
• Authors of publication: Zhu, Xia; Wang, Yong-feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1175 - 1176
• a: 9.741 ± 0.0015 Å
• b: 15.511 ± 0.002 Å
• c: 14.162 ± 0.002 Å
• α: 90°
• β: 110 ± 0.003°
• γ: 90°
• Cell volume: 2010.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No