Information card for entry 2225702

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquacadmium(II)]-bis(μ~2~-4-chlorobenzoato)]
• Formula: C14 H10 Cd Cl2 O5
• Calculated formula: C14 H10 Cd Cl2 O5
• SMILES: [Cd]12([OH2])[O]=C(c3ccc(Cl)cc3)[O]1[Cd]13([OH2])([O]=C([O]21)c1ccc(Cl)cc1)(OC(c1ccc(Cl)cc1)=O)[O]=C(c1ccc(Cl)cc1)O3
• Title of publication: <i>catena</i>-Poly[[aquacadmium(II)]-bis(μ~2~-4-chlorobenzoato)]
• Authors of publication: Wan, Chong-Qing; Wang, Zi-Jia; Zhang, Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m385 - m386
• a: 32.525 ± 0.002 Å
• b: 6.4769 ± 0.0005 Å
• c: 7.1419 ± 0.0006 Å
• α: 90°
• β: 98.883 ± 0.003°
• γ: 90°
• Cell volume: 1486.48 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.016
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes