Information card for entry 4508649

Structure parameters

• Formula: C52 H36 Cd2 N4 O10
• Calculated formula: C52 H36 Cd2 N4 O10
• SMILES: c1c2ccc[n]3c2c2c(ccc[n]2[Cd]243(OC(=[O]2)c2c(c3c(cccc3)C(=O)O[Cd]35([OH2])([n]6cccc7ccc8ccc[n]3c8c67)[O]=C(O5)c3c(c5c(cccc5)C(=O)O4)cccc3)cccc2)[OH2])c1
• Title of publication: Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid
• Authors of publication: Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2029
• a: 9.6427 ± 0.0019 Å
• b: 12.134 ± 0.002 Å
• c: 12.253 ± 0.003 Å
• α: 72.02 ± 0.03°
• β: 71.49 ± 0.03°
• γ: 88.38 ± 0.03°
• Cell volume: 1289.2 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.2012
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No