Information card for entry 2211912

Structure parameters

• Formula: C26 H28 Cd N4 O8
• Calculated formula: C26 H28 Cd N4 O8
• SMILES: [Cd]([OH2])([OH2])([n]1c([nH]c2ccccc12)COC)([n]1c([nH]c2ccccc12)COC)OC(=O)c1ccc(cc1)C(=O)O[Cd](OC(=O)c1ccc(C(=O)[O-])cc1)([OH2])([OH2])([n]1c([nH]c2ccccc12)COC)[n]1c([nH]c2ccccc12)COC
• Title of publication: <i>catena</i>-Poly[[diaquabis(2-methoxymethyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Long-Fei Zu; Yong Wang; Zhong-Min Su; Kui-Zhan Shao; Ya-Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m292 - m293
• a: 7.622 ± 0.005 Å
• b: 8.714 ± 0.005 Å
• c: 11.082 ± 0.005 Å
• α: 94.12 ± 0.005°
• β: 103.502 ± 0.005°
• γ: 111.32 ± 0.005°
• Cell volume: 656.7 ± 0.6 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: 0.0296
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes