Information card for entry 4120924

Structure parameters

• Formula: C28 H62 F12 N10 Ni2 P2 Se2
• Calculated formula: C28 H62 F12 N10 Ni2 P2 Se2
• Title of publication: C-H Activation by a Diselenido Dinickel(II) Complex
• Authors of publication: Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14972 - 14974
• a: 11.986 ± 0.006 Å
• b: 12.7 ± 0.006 Å
• c: 14.465 ± 0.008 Å
• α: 90°
• β: 106.304 ± 0.01°
• γ: 90°
• Cell volume: 2113.3 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes