Information card for entry 7128892

Structure parameters

• Formula: C63 H78 Cl2 F12 N4 O4 P2 Sb2
• Calculated formula: C63 H78 Cl2 F12 N4 O4 P2 Sb2
• Title of publication: Synthesis and reactivity of NHC-coordinated phosphinidene oxide.
• Authors of publication: Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 75
• Pages of publication: 9546 - 9549
• a: 12.6743 ± 0.0002 Å
• b: 14.2432 ± 0.0003 Å
• c: 20.3249 ± 0.0007 Å
• α: 93.375 ± 0.002°
• β: 91.737 ± 0.002°
• γ: 108.005 ± 0.002°
• Cell volume: 3478.82 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No