Information card for entry 7062970

Structure parameters

• Chemical name: bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N",S)-di-cadmium(ii) chloride methanol solvate
• Formula: C29 H36 Cd2 Cl2 N6 O S2
• Calculated formula: C29 H36 Cd2 Cl2 N6 O S2
• Title of publication: Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
• Authors of publication: Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2547 - 2557
• a: 21.3846 ± 0.0007 Å
• b: 9.4379 ± 0.0003 Å
• c: 16.6623 ± 0.0005 Å
• α: 90°
• β: 101.61 ± 0.001°
• γ: 90°
• Cell volume: 3294.08 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No