Information card for entry 8106090

Structure parameters

• Formula: C24 H42 Cd2 N10 O16 S2
• Calculated formula: C24 H42 Cd2 N10 O16 S2
• Title of publication: Crystal structure of cyclo[hexaqua-bis[1-[(2-ethyl-1H-imidazol-1-yl) methyl]-1H-benzotriazole-κ2 N:N′]-bis(sulfato-κ1 O)dicadmium(II)] monohydrate, C24H42Cd2N10O16S2
• Authors of publication: Wang, Xia; Li, Han-Bing; Cheng, Di; Zhang, Shu-Ling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 177 - 178
• a: 8.2977 ± 0.0005 Å
• b: 10.2955 ± 0.0006 Å
• c: 12.0979 ± 0.0009 Å
• α: 103.879 ± 0.006°
• β: 100.039 ± 0.006°
• γ: 104.567 ± 0.005°
• Cell volume: 940.31 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No