Information card for entry 7215875

Structure parameters

• Formula: C84 H84 Cd3 N6 O6 S12
• Calculated formula: C84 H84 Cd3 N6 O6 S12
• Title of publication: Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates
• Authors of publication: Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6765
• a: 12.2619 ± 0.001 Å
• b: 14.0531 ± 0.0016 Å
• c: 14.1351 ± 0.0012 Å
• α: 111.871 ± 0.009°
• β: 101.167 ± 0.007°
• γ: 97.391 ± 0.008°
• Cell volume: 2163 ± 0.4 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: 0.1264
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No