Information card for entry 4087412

Structure parameters

• Formula: C20 H38 N2 Ni P2
• Calculated formula: C20 H38 N2 Ni P2
• SMILES: [NiH]12[P](N(c3c2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C
• 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: 42.645 ± 0.003 Å
• b: 8.0359 ± 0.0005 Å
• c: 34.288 ± 0.002 Å
• α: 90°
• β: 128.157 ± 0.002°
• γ: 90°
• Cell volume: 9239.4 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 3.69
• Goodness-of-fit parameter for all reflections included in the refinement: 3.56
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No