Information card for entry 4067982

Structure parameters

• Formula: C21 H38 Ni P2
• Calculated formula: C21 H38 Ni P2
• SMILES: [Ni]12([P](Cc3c2c(ccc3)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C
• Title of publication: Synthesis and Reactivity of Nickel and Palladium Fluoride Complexes with PCP Pincer Ligands. NMR-Based Assessment of Electron-Donating Properties of Fluoride and Other Monoanionic Ligands
• Authors of publication: Mart\?ínez-Prieto, Luis Miguel; Melero, Cristóbal; del R\?ío, Diego; Palma, Pilar; Cámpora, Juan; Álvarez, Eleuterio
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1425
• a: 10.998 ± 0.009 Å
• b: 13.794 ± 0.009 Å
• c: 28.9 ± 0.03 Å
• α: 90°
• β: 96.038 ± 0.014°
• γ: 90°
• Cell volume: 4360 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No