Information card for entry 7120928

Structure parameters

• Formula: C25 H41 Ni O P
• Calculated formula: C25 H41 Ni O P
• SMILES: [Ni]12345([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[c]6([cH]5[cH]4[cH]3[cH]2[cH]16)OC
• 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: 8.6352 ± 0.0005 Å
• b: 9.7092 ± 0.0006 Å
• c: 15.6942 ± 0.001 Å
• α: 97.58 ± 0.001°
• β: 99.461 ± 0.001°
• γ: 115.038 ± 0.001°
• Cell volume: 1145.68 ± 0.12 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No