Information card for entry 2222319

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-μ-1,4-bis(imidazol-1- ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Formula: C30 H36 Cd N4 O8
• Calculated formula: C30 H36 Cd N4 O8
• SMILES: [Cd]12([O]=C(O1)C1CCC(CC1)C(=O)O)([O]=C(O2)C1CCC(CC1)C(=O)O)([n]1cn(cc1)Cc1ccc(cc1)Cn1cn(cc1)[Cd]12([O]=C(O1)C1CCC(CC1)C(=O)O)[O]=C(O2)C1CCC(CC1)C(=O)O)[n]1cn(cc1)Cc1ccc(Cn2cncc2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(4-carboxycyclohexanecarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]-μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Authors of publication: Li, Bing-Bing; Xiao, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m756 - m757
• a: 12.6317 ± 0.0005 Å
• b: 19.9697 ± 0.0012 Å
• c: 12.3703 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3120.4 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes