Information card for entry 7713180

Structure parameters

• Chemical name: CuCl(dpaSMe)
• Formula: C19.5 H20 Cl2 Cu N3 S
• Calculated formula: C19.5 H20 Cl2 Cu N3 S
• Title of publication: Conformational Dynamicity in a Copper(II) Coordination Complex
• Authors of publication: Griffin, Paul Joseph; Dake, Matthew J.; Remolina, Alesandro D.; Olshansky, Lisa
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 16.8518 ± 0.0005 Å
• b: 13.7158 ± 0.0004 Å
• c: 17.8744 ± 0.0008 Å
• α: 90°
• β: 103.747 ± 0.001°
• γ: 90°
• Cell volume: 4013.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No