Information card for entry 7206289

Structure parameters

• Formula: C32 H29 Cd2 N3 O9 S
• Calculated formula: C32 H29 Cd2 N3 O9 S
• Title of publication: Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties
• Authors of publication: Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5152
• a: 11.166 ± 0.002 Å
• b: 17.71 ± 0.004 Å
• c: 19.669 ± 0.004 Å
• α: 90°
• β: 97.07 ± 0.03°
• γ: 90°
• Cell volume: 3860 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No