Information card for entry 1557899

Structure parameters

• Formula: C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2
• Calculated formula: C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2
• SMILES: c1ccc2cccc3c2[n]1[Ni]12([n]4c5c(ccc4)cccc5[P]31Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C)([Cl][Ni]13([F][Sb](F)(F)(F)(F)F)([n]4cccc5cccc(c45)[P]3(Oc3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cccc4ccc[n]1c34)[Cl]2)[F][Sb](F)(F)(F)(F)F.c1(ccccc1)F.Fc1ccccc1
• Title of publication: Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates
• Authors of publication: Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 5043 - 5051
• a: 10.5566 ± 0.0006 Å
• b: 14.6779 ± 0.0013 Å
• c: 14.7391 ± 0.0008 Å
• α: 109.074 ± 0.004°
• β: 108.271 ± 0.003°
• γ: 97.907 ± 0.004°
• Cell volume: 1974.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No