Information card for entry 7117603

Structure parameters

• Formula: C14 H19 Cd N3 O2 S
• Calculated formula: C14 H19 Cd N3 O2 S
• Title of publication: Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a substantial on-off ratio.
• Authors of publication: Roy, Sumit; Dey, Arka; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 12974 - 12976
• a: 13.9096 ± 0.0003 Å
• b: 10.5234 ± 0.0002 Å
• c: 22.6923 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3321.61 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No