Information card for entry 2226277

Structure parameters

• Chemical name: Bis{1,2-bis[2-(1<i>H</i>-imidazol-1-yl)ethoxy]ethane- κ^2^<i>N</i>^3^,<i>N</i>^3'^}dichloridocadmium(II) monohydrate
• Formula: C24 H38 Cd Cl2 N8 O5
• Calculated formula: C24 H38 Cd Cl2 N8 O5
• SMILES: c1cn2c[n]1[Cd]1([n]3cn(CCOCCOCC2)cc3)(Cl)([n]2ccn(c2)CCOCCOCCn2c[n]1cc2)Cl.O
• Title of publication: Bis{1,2-bis[2-(1<i>H</i>-imidazol-1-yl)ethoxy]ethane-κ^2^<i>N</i>^3^,<i>N</i>^3'^}dichloridocadmium(II) monohydrate
• Authors of publication: Liu, Guang-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m714
• a: 15.3629 ± 0.0013 Å
• b: 11.0659 ± 0.0009 Å
• c: 18.4492 ± 0.0016 Å
• α: 90°
• β: 102.558 ± 0.001°
• γ: 90°
• Cell volume: 3061.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes