Information card for entry 2237578

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-benzotriazol-1-yl)-1<i>H</i>-benzimidazol-1-ido]diethanolcadmium
• Formula: C30 H28 Cd N10 O2
• Calculated formula: C30 H28 Cd N10 O2
• SMILES: c12ccccc1n1c3nc4ccccc4n3[Cd]3([n]1n2)([n]1nc2ccccc2n1c1nc2ccccc2n31)([OH]CC)[OH]CC
• Title of publication: Bis[2-(1<i>H</i>-benzotriazol-1-yl)-1<i>H</i>-benzimidazol-1-ido]diethanolcadmium
• Authors of publication: Cao, Ping; Liu, Jia-Cheng; Hu, Dong-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m134
• a: 8.7544 ± 0.0004 Å
• b: 8.0112 ± 0.0002 Å
• c: 20.9382 ± 0.0009 Å
• α: 90°
• β: 101.352 ± 0.005°
• γ: 90°
• Cell volume: 1439.74 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes