Information card for entry 4065995

Structure parameters

• Formula: C32 H44 N6 Ni S2
• Calculated formula: C32 H44 N6 Ni S2
• Title of publication: Synthesis ofcis- andtrans-Diisothiocyanato−Bis(NHC) Complexes of Nickel(II) and Applications in the Kumada−Corriu Reaction
• Authors of publication: Jothibasu, Ramasamy; Huang, Kuo-Wei; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3746
• a: 9.3168 ± 0.0007 Å
• b: 10.0285 ± 0.0008 Å
• c: 10.3736 ± 0.0008 Å
• α: 103.24 ± 0.002°
• β: 94.178 ± 0.002°
• γ: 113.049 ± 0.002°
• Cell volume: 853.75 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No