Information card for entry 4087413

Structure parameters

• Formula: C21 H38 N2 Ni O2 P2
• Calculated formula: C21 H38 N2 Ni O2 P2
• SMILES: [Ni]12([P](N(c3c2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C)OC=O
• 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: 14.7792 ± 0.0002 Å
• b: 11.4141 ± 0.0001 Å
• c: 14.793 ± 0.0002 Å
• α: 90°
• β: 105.686 ± 0.0006°
• γ: 90°
• Cell volume: 2402.52 ± 0.05 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for significantly intense reflections: 1.48
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No