Information card for entry 4084759

Structure parameters

• Formula: C14 H32 O2 P2
• Calculated formula: C14 H32 O2 P2
• SMILES: C(C)(C)P(=O)(C(C)C)CCP(=O)(C(C)C)C(C)C
• 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: 20.0927 ± 0.0012 Å
• b: 8.4252 ± 0.0004 Å
• c: 10.4986 ± 0.0006 Å
• α: 90°
• β: 104.39 ± 0.006°
• γ: 90°
• Cell volume: 1721.5 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No