Information card for entry 7210828

Structure parameters

• Formula: C8 H22 Cd N12 O2
• Calculated formula: C8 H22 Cd N12 O2
• Title of publication: Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand
• Authors of publication: Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 8529
• a: 7.9283 ± 0.0001 Å
• b: 13.373 ± 0.0002 Å
• c: 15.2752 ± 0.0002 Å
• α: 90°
• β: 102.284 ± 0.001°
• γ: 90°
• Cell volume: 1582.48 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No