Information card for entry 7212250

Structure parameters

• Formula: C96 H58 Cd2 N8 O12
• Calculated formula: C96 H58 Cd2 N8 O12
• SMILES: [n]12cccc3c1c1[n]([Cd]42([n]2cccc5ccc6ccc[n]4c6c25)(OC(=O)c2c4ccccc4c(C(=O)O[Cd]45([n]6cccc7ccc8ccc[n]4c8c67)([n]4cccc6ccc7ccc[n]5c7c46)OC(=O)c4c5c(c(C(=O)O)c6c4cccc6)cccc5)c4c2cccc4)OC(=O)c2c4c(c(C(=O)O)c5c2cccc5)cccc4)cccc1cc3
• Title of publication: Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties
• Authors of publication: Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1833
• a: 9.7828 ± 0.0009 Å
• b: 12.1306 ± 0.0012 Å
• c: 17.092 ± 0.002 Å
• α: 105.588 ± 0.002°
• β: 99.624 ± 0.002°
• γ: 100.178 ± 0.002°
• Cell volume: 1873 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No