Information card for entry 7709466

Structure parameters

• Formula: C12 H17 Cl Cu N3 O S
• Calculated formula: C12 H17 Cl Cu N3 O S
• 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: 12.5881 ± 0.0009 Å
• b: 6.0555 ± 0.0004 Å
• c: 19.3671 ± 0.0014 Å
• α: 90°
• β: 101.012 ± 0.002°
• γ: 90°
• Cell volume: 1449.12 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No