Information card for entry 7120929

Structure parameters

• Formula: C26 H37 F6 Ni P
• Calculated formula: C26 H37 F6 Ni P
• SMILES: [Ni]12345([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[c]6([cH]1[c]2([cH]3[cH]4[cH]56)C(F)(F)F)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: 16.921 ± 0.004 Å
• b: 9.399 ± 0.002 Å
• c: 32.999 ± 0.008 Å
• α: 90°
• β: 99.99 ± 0.004°
• γ: 90°
• Cell volume: 5169 ± 2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0879
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No