Information card for entry 4087411

Structure parameters

• Formula: C23 H41 B D3 N2 Ni P2
• Calculated formula: C23 H41 B D3 N2 Ni P2
• SMILES: [Ni]123([P](N(c4c2c(N([P]1(C(C)C)C(C)C)C)ccc4)C)(C(C)C)C(C)C)[H][BH2][H]3.c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H]
• Title of publication: Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.
• Authors of publication: Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1364 - 1372
• a: 8.1142 ± 0.0012 Å
• b: 17.466 ± 0.003 Å
• c: 18.659 ± 0.003 Å
• α: 80.991 ± 0.004°
• β: 84.592 ± 0.004°
• γ: 84.341 ± 0.004°
• Cell volume: 2590.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for significantly intense reflections: 1.93
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No