Information card for entry 1512803

Structure parameters

• Formula: C45 H44 N6 Ni2 O2 P2 S2
• Calculated formula: C45 H44 N6 Ni2 O2 P2 S2
• Title of publication: Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes
• Authors of publication: Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 605 - 615
• a: 19.444 ± 0.002 Å
• b: 8.8288 ± 0.001 Å
• c: 24.684 ± 0.003 Å
• α: 90°
• β: 95.098 ± 0.002°
• γ: 90°
• Cell volume: 4220.7 ± 0.8 ų
• Cell temperature: 128 K
• Ambient diffraction temperature: 128 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: 0.0428
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No