Information card for entry 7710157

Structure parameters

• Formula: C58.35 H61.71 B2 Cl4.7 N2 P
• Calculated formula: C58.353 H61.706 B2 Cl4.706 N2 P
• Title of publication: Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)
• Authors of publication: Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.6389 ± 0.0003 Å
• b: 15.0221 ± 0.0005 Å
• c: 15.9346 ± 0.0005 Å
• α: 83.088 ± 0.003°
• β: 75.067 ± 0.003°
• γ: 80.567 ± 0.003°
• Cell volume: 2646.59 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No