Information card for entry 7062971

Structure parameters

• Chemical name: bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N",S)-di-cadmium(ii) chloride m-xylene solvate
• Formula: C36 H42 Cd2 Cl2 N6 S2
• Calculated formula: C36 H42 Cd2 Cl2 N6 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: 9.5643 ± 0.0006 Å
• b: 9.6576 ± 0.0006 Å
• c: 11.126 ± 0.0007 Å
• α: 104.832 ± 0.002°
• β: 105.857 ± 0.002°
• γ: 91.085 ± 0.002°
• Cell volume: 951.27 ± 0.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0144
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No