Information card for entry 4087409

Structure parameters

• Formula: C20 H41 B Co N2 P2
• Calculated formula: C20 H41 B Co N2 P2
• SMILES: [Co]123([P](N(c4c2c(ccc4)N([P]1(C(C)C)C(C)C)C)C)(C(C)C)C(C)C)[H][BH2][H]3
• 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: 7.8255 ± 0.0013 Å
• b: 8.5372 ± 0.0015 Å
• c: 17.914 ± 0.003 Å
• α: 87.162 ± 0.003°
• β: 81.981 ± 0.003°
• γ: 80.16 ± 0.003°
• Cell volume: 1167.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No