Information card for entry 4084760

Structure parameters

• Formula: C18 H39 F3 Ni O5 P2 S
• Calculated formula: C18 H39 F3 Ni O5 P2 S
• Title of publication: Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications
• Authors of publication: Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6796
• a: 8.8766 ± 0.0005 Å
• b: 12.4744 ± 0.0004 Å
• c: 12.4891 ± 0.0006 Å
• α: 77.339 ± 0.004°
• β: 73.837 ± 0.004°
• γ: 80.778 ± 0.004°
• Cell volume: 1288.67 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No