Information card for entry 7004889

Structure parameters

• Common name: bis((diacetyl-2-(4-N-methyl-3-thiosemicarbazonato)-3-(4'-N- methinimino-3'-thiosemicarbazonato) zinc (ii)))
• Formula: C32 H72 N14 O8 S12 Zn2
• Calculated formula: C32 H72 N14 O8 S12 Zn2
• Title of publication: New bimetallic compounds based on the bis(thiosemicarbazonato) motif.
• Authors of publication: Christlieb, Martin; Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Paterson, Brett M.; Struthers, Harriet S. R.; White, Jonathan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 327 - 331
• a: 9.7705 ± 0.0002 Å
• b: 13.5108 ± 0.0002 Å
• c: 13.577 ± 0.0002 Å
• α: 110.932 ± 0.0008°
• β: 108.895 ± 0.0008°
• γ: 101.181 ± 0.0009°
• Cell volume: 1483.38 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No