Information card for entry 7231446

Structure parameters

• Formula: C26 H16 Cd N4 O4 S
• Calculated formula: C26 H16 Cd N4 O4 S
• Title of publication: Structure of a Cd(ii) mixed-ligand coordination polymer: single crystalline conductance switch involving photoinduced electron transfer and photocoloration
• Authors of publication: Huang, Jia; Zhang, Jie; He, Runhua; Fu, Zhiyong
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 5663
• a: 8.7461 ± 0.0003 Å
• b: 10.7477 ± 0.0005 Å
• c: 13.2654 ± 0.0006 Å
• α: 83.381 ± 0.004°
• β: 75.005 ± 0.004°
• γ: 69.554 ± 0.004°
• Cell volume: 1128.19 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No