Information card for entry 4079955

Structure parameters

• Formula: C20 H37 N Ni P2
• Calculated formula: C20 H37 N Ni P2
• SMILES: [Ni]12([P](C=c3n2c(ccc3)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C
• Title of publication: Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2
• Authors of publication: Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 300
• a: 11.0278 ± 0.0005 Å
• b: 13.618 ± 0.0006 Å
• c: 30.0929 ± 0.0013 Å
• α: 90°
• β: 106.252 ± 0.002°
• γ: 90°
• Cell volume: 4338.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No