Information card for entry 7210730

Structure parameters

• Formula: C40 H24 Cd2 N4 O11 S
• Calculated formula: C40 H24 Cd2 N4 O11 S
• Title of publication: pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties
• Authors of publication: Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 3992
• a: 11.8489 ± 0.0007 Å
• b: 16.7123 ± 0.0006 Å
• c: 18.8636 ± 0.0011 Å
• α: 90°
• β: 105.17 ± 0.004°
• γ: 90°
• Cell volume: 3605.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No