Information card for entry 2225655

Structure parameters

• Chemical name: Bis[μ-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
• Formula: C72 H72 Cd2 N8 O14
• Calculated formula: C72 H72 Cd2 N8 O14
• SMILES: C1(=[O][Cd]23([n]4c(n(c5c4cccc5)CCOCCn4c([n](c5c4cccc5)[Cd]45([O]=C(c6ccc(cc6)OC)O4)([O]=C(O5)c4ccc(OC)cc4)[n]4c(n(c5c4cccc5)CCOCCn4c([n]3c3c4cccc3)C)C)C)C)(O1)[O]=C(c1ccc(cc1)OC)O2)c1ccc(OC)cc1
• Title of publication: Bis[μ-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
• Authors of publication: Zhao, Dian-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m430
• a: 9.0379 ± 0.0005 Å
• b: 13.813 ± 0.0008 Å
• c: 13.9361 ± 0.0006 Å
• α: 88.143 ± 0.004°
• β: 86.539 ± 0.004°
• γ: 74.863 ± 0.004°
• Cell volume: 1676.11 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes