Information card for entry 7114594

Structure parameters

• Formula: C26 H29 N2 Ni
• Calculated formula: C26 H29 N2 Ni
• SMILES: C1(N(C=CN1c1c(cc(C)cc1C)C)c1c(cc(C)cc1C)C)=[Ni]1234[cH]5[cH]4[cH]2[cH]1[cH]35
• 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: 22.8909 ± 0.0001 Å
• b: 11.1074 ± 0.0001 Å
• c: 9.0371 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.76 ± 0.03 ų
• Cell temperature: 123.1 ± 0.4 K
• Ambient diffraction temperature: 123.1 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No