Information card for entry 7709469

Structure parameters

• Formula: C17 H26 Cl Cu N5 O6.5 S2
• Calculated formula: C17 H26 Cl Cu N5 O6.5 S2
• Title of publication: N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties
• Authors of publication: Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.3999 ± 0.0003 Å
• b: 14.2258 ± 0.0004 Å
• c: 13.3826 ± 0.0003 Å
• α: 90°
• β: 90.462 ± 0.002°
• γ: 90°
• Cell volume: 2360.59 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No