Information card for entry 7015759

Structure parameters

• Formula: C20 H44 N4 Ni O4 P2 S4
• Calculated formula: C20 H44 N4 Ni O4 P2 S4
• SMILES: C1(=[N](P(OC(C)C)(OC(C)C)=S)[Ni]2(SC(=[N]2P(OC(C)C)(OC(C)C)=S)NC(C)C)S1)NC(C)C
• Title of publication: Highly efficient [Ni{iPrHNC(S)NP(S)(OiPr)2-1,3-N,S'}2]/PR3 (R3 = Me3, Me2Ph) complexes for the generation of Ni(0) for catalysis.
• Authors of publication: Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Hahn, F. Ekkehardt
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4806 - 4809
• a: 8.8166 ± 0.0001 Å
• b: 9.8121 ± 0.0001 Å
• c: 10.7912 ± 0.0002 Å
• α: 103.539 ± 0.0007°
• β: 107.559 ± 0.0006°
• γ: 102.117 ± 0.0007°
• Cell volume: 824.72 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No