Information card for entry 4132975

Structure parameters

• Chemical name: [(PEt3)Ni(mu2-O,O-tBuCOO)2]2
• Formula: C32 H66 Ni2 O8 P2
• Calculated formula: C32 H66 Ni2 O8 P2
• Title of publication: Understanding Ni(II)-Mediated C(sp³)-H Activation: Tertiary Ureas as Model Substrates.
• Authors of publication: Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 39
• Pages of publication: 12602 - 12610
• a: 9.9146 ± 0.0006 Å
• b: 17.8444 ± 0.0012 Å
• c: 12.4027 ± 0.0008 Å
• α: 90°
• β: 109.094 ± 0.001°
• γ: 90°
• Cell volume: 2073.6 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0375
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No