Information card for entry 7210250

Structure parameters

• Formula: C35 H20 Cd Cl4 N2 O5
• Calculated formula: C35 H20 Cd Cl4 N2 O5
• SMILES: [Cd]12(Oc3cccc4c3[n]1c(cc4)/C=C/c1c(Cl)cccc1Cl)(Oc1cccc3c1[n]2c(cc3)/C=C/c1c(Cl)cccc1Cl)([OH2])[OH2].OC
• Title of publication: Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand
• Authors of publication: Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 7307
• a: 9.09 ± 0.003 Å
• b: 26.329 ± 0.008 Å
• c: 14.854 ± 0.005 Å
• α: 90°
• β: 95.493 ± 0.004°
• γ: 90°
• Cell volume: 3539 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No