Information card for entry 7120085

Structure parameters

• Formula: C28 H30 F N3 Ni O2
• Calculated formula: C28 H30 F N3 Ni O2
• SMILES: [Ni]12(F)[N]3[C@@H](COC=3C(c3n1c(cc3)C(C1OC[C@H]([N]2=1)c1ccccc1)(C)C)(C)C)c1ccccc1
• Title of publication: Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.
• Authors of publication: Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 4308 - 4311
• a: 11.68973 ± 0.00013 Å
• b: 11.68973 ± 0.00013 Å
• c: 54.0604 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7387.34 ± 0.16 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No