Information card for entry 7709463

Structure parameters

• Formula: C14 H22 Cl2 N8 Ni O10 S2
• Calculated formula: C14 H20 Cl2 N8 Ni O10 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: 14.5374 ± 0.001 Å
• b: 17.6166 ± 0.0011 Å
• c: 10.1978 ± 0.0007 Å
• α: 90°
• β: 107.572 ± 0.001°
• γ: 90°
• Cell volume: 2489.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No