Information card for entry 7710155

Structure parameters

• Formula: C48 H54 Cl6 I N2 P
• Calculated formula: C48 H54 Cl6 I 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: 9.6946 ± 0.0003 Å
• b: 23.0494 ± 0.0005 Å
• c: 11.1709 ± 0.0003 Å
• α: 90°
• β: 100.423 ± 0.003°
• γ: 90°
• Cell volume: 2455 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No