Information card for entry 4065959

Structure parameters

• Formula: C33.75 H33.75 Cl5.25 F6 N Ni P3 S2
• Calculated formula: C33.75 H33.75 Cl5.25 F6 N Ni P3 S2
• Title of publication: Multifunctional Dithiocarbamates: Synthesis and Ring-Closing Metathesis of Diallyldithiocarbamate Complexes
• Authors of publication: Naeem, Saira; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D. E. T.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2547
• a: 13.7545 ± 0.0004 Å
• b: 15.2829 ± 0.0003 Å
• c: 20.3044 ± 0.0004 Å
• α: 92.0086 ± 0.0014°
• β: 102.856 ± 0.0019°
• γ: 98.9786 ± 0.0018°
• Cell volume: 4099.38 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No