Information card for entry 7120843

Structure parameters

• Formula: C32 H53 N Ni O2 P2 S
• Calculated formula: C32 H53 N Ni O2 P2 S
• SMILES: [Ni]12([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)N(S(=O)(=O)c1ccc(cc1)C)C2c1ccccc1
• Title of publication: Oxaziridine cleavage with a low-valent nickel complex: competing C‒O and C‒N fragmentation from oxazanickela(ii)cyclobutanes
• Authors of publication: Desnoyer, Addison N.; Chiu, Weiling; Cheung, Candy; Patrick, Brian O.; Love, Jennifer A.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 15.205 ± 0.002 Å
• b: 16.403 ± 0.003 Å
• c: 13.947 ± 0.002 Å
• α: 90°
• β: 102.508 ± 0.005°
• γ: 90°
• Cell volume: 3395.9 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No