Information card for entry 7210729

Structure parameters

• Formula: C40 H31 Cd2 N4 O14.5 S
• Calculated formula: C40 H31 Cd2 N4 O14.5 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: 10.905 ± 0.005 Å
• b: 13.194 ± 0.007 Å
• c: 14.97 ± 0.008 Å
• α: 110.429 ± 0.007°
• β: 95.307 ± 0.006°
• γ: 91.644 ± 0.006°
• Cell volume: 2005.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No