Information card for entry 7713181

Structure parameters

• Chemical name: [CuCl(dpaSMe)]PF6
• Formula: C20.75 H22 Cl4.5 Cu F6 N3 P S
• Calculated formula: C20.75 H22 Cl4.5 Cu F6 N3 P 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: 11.4469 ± 0.0005 Å
• b: 14.344 ± 0.0007 Å
• c: 19.0859 ± 0.0009 Å
• α: 69.367 ± 0.002°
• β: 88.157 ± 0.002°
• γ: 73.388 ± 0.001°
• Cell volume: 2802.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No