Information card for entry 7015758

Structure parameters

• Formula: C22 H48 N4 Ni O4 P2 S4
• Calculated formula: C22 H48 N4 Ni O4 P2 S4
• SMILES: CC(C)OP1(N=C(N(CC)CC)S[Ni]2([S]=1)[S]=P(N=C(N(CC)CC)S2)(OC(C)C)OC(C)C)OC(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: 9.0381 ± 0.0006 Å
• b: 9.5374 ± 0.0006 Å
• c: 9.7949 ± 0.0006 Å
• α: 91.109 ± 0.002°
• β: 90.152 ± 0.002°
• γ: 97.145 ± 0.003°
• Cell volume: 837.6 ± 0.09 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: 0.0226
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No