Information card for entry 7120931

Structure parameters

• Formula: C25 H38 F3 Ni P
• Calculated formula: C25 H38 F3 Ni P
• SMILES: [Ni]12345([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)C(F)(F)F
• Title of publication: Versatile (η6-arene)Ni(PCy3) nickel monophosphine precursors
• Authors of publication: Zhu, Sha; Shoshani, Manar M.; Johnson, Samuel A.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 11.8792 ± 0.0007 Å
• b: 9.2062 ± 0.0006 Å
• c: 22.9722 ± 0.0015 Å
• α: 90°
• β: 104.181 ± 0.001°
• γ: 90°
• Cell volume: 2435.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No