Information card for entry 7015761

Structure parameters

• Formula: C88 H94 Ag2 Cl4 N4 O4 P6 S4
• Calculated formula: C88 H94 Ag2 Cl4 N4 O4 P6 S4
• SMILES: C1(=NP(OC(C)C)(OC(C)C)=[S][Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1)NNC1=NP(OC(C)C)(OC(C)C)=[S][Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1.C(Cl)Cl.C(Cl)Cl
• 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: 16.5874 ± 0.0007 Å
• b: 12.8958 ± 0.0006 Å
• c: 21.8166 ± 0.001 Å
• α: 90°
• β: 107.913 ± 0.002°
• γ: 90°
• Cell volume: 4440.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No