Information card for entry 7709462

Structure parameters

• Formula: C30 H29 Cl Cu N7 O6 S2
• Calculated formula: C30 H29 Cl Cu N7 O6 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: 15.4602 ± 0.0011 Å
• b: 9.7669 ± 0.0007 Å
• c: 21.9107 ± 0.0015 Å
• α: 90°
• β: 109.196 ± 0.002°
• γ: 90°
• Cell volume: 3124.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No