Information card for entry 4129475

Structure parameters

• Formula: C24 H52 Ni O2 P2
• Calculated formula: C24 H52 Ni O2 P2
• SMILES: [Ni]12([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)OC12CCCCC1.O
• Title of publication: Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.
• Authors of publication: Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 12748 - 12751
• a: 11.1398 ± 0.0008 Å
• b: 16.7554 ± 0.0012 Å
• c: 15.4593 ± 0.0011 Å
• α: 90°
• β: 110.118 ± 0.002°
• γ: 90°
• Cell volume: 2709.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No