Information card for entry 7205336

Structure parameters

• Formula: C36 H30 As2 N4 O14 S2 Zn2
• Calculated formula: C36 H30 As2 N4 O14 S2 Zn2
• SMILES: c1ccc2ccc3c4[n](ccc3)[Zn]35([n]1c24)[O]=[As](c1c(cccc1)S(=O)(=O)O5)(O)O[Zn]12([n]4cccc5ccc6ccc[n]1c6c45)[O]=[As](c1c(cccc1)S(=O)(=O)O2)(O)O3.O.O
• Title of publication: Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations
• Authors of publication: Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1480
• a: 19.161 ± 0.006 Å
• b: 14.429 ± 0.004 Å
• c: 14.001 ± 0.004 Å
• α: 90°
• β: 90.449 ± 0.004°
• γ: 90°
• Cell volume: 3871 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No