Information card for entry 1514786

Structure parameters

• Formula: C23 H29 F12 N7 Ni P2
• Calculated formula: C23 H29 F12 N7 Ni P2
• SMILES: [F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.CC#[N][Ni]123([N]#CC)[N](=Cc4[n]3cccc4)CC(C[N]1=Cc1[n]2cccc1)(C)C.CC#N
• Title of publication: Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
• Authors of publication: Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3636
• a: 9.223 ± 0.0004 Å
• b: 23.7522 ± 0.0008 Å
• c: 15.2139 ± 0.0006 Å
• α: 90°
• β: 107.35 ± 0.001°
• γ: 90°
• Cell volume: 3181.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No