Information card for entry 4088022

Structure parameters

• Formula: C30 H33 F2 Ni O3 P3
• Calculated formula: C30 H33 F2 Ni O3 P3
• Title of publication: d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene
• Authors of publication: Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5683
• a: 10.4679 ± 0.0003 Å
• b: 11.661 ± 0.0003 Å
• c: 24.7749 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3024.18 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No