Information card for entry 7114596

Structure parameters

• Formula: C36 H49 F6 N2 Ni O P
• Calculated formula: C36 H49 F6 N2 Ni O P
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Ni]1234([cH]5[cH]1[cH]2[cH]3[cH]45)[O]1CCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides
• Authors of publication: Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7014
• a: 12.7889 ± 0.0002 Å
• b: 16.8666 ± 0.0003 Å
• c: 16.4852 ± 0.0003 Å
• α: 90°
• β: 94.486 ± 0.001°
• γ: 90°
• Cell volume: 3545.05 ± 0.11 ų
• Cell temperature: 122.96 ± 0.18 K
• Ambient diffraction temperature: 122.96 ± 0.18 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No