Information card for entry 7114592

Structure parameters

• Formula: C32 H41 N2 Ni
• Calculated formula: C32 H41 N2 Ni
• 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
• 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: 9.1771 ± 0.0003 Å
• b: 9.3242 ± 0.0003 Å
• c: 18.2253 ± 0.0005 Å
• α: 92.783 ± 0.002°
• β: 90.158 ± 0.002°
• γ: 116.159 ± 0.003°
• Cell volume: 1397.63 ± 0.08 ų
• Cell temperature: 123 ± 0.16 K
• Ambient diffraction temperature: 123 ± 0.16 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No