Information card for entry 4038312

Structure parameters

• Formula: C43 H53 Cl2 N2 P
• Calculated formula: C43 H53 Cl2 N2 P
• Title of publication: Isolation of Elusive Electrophilic Phosphinidene Complexes with π-Donor N-Heterocyclic Vinyl Substituents.
• Authors of publication: Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego Marcelo; Ghadwal, Rajendra S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.2047 ± 0.0002 Å
• b: 16.3187 ± 0.0003 Å
• c: 21.2446 ± 0.0004 Å
• α: 90°
• β: 90.3635 ± 0.0016°
• γ: 90°
• Cell volume: 3884.41 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0555
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No