Information card for entry 1577012

Structure parameters

• Formula: C46 H35 F3 N2 O3 S
• Calculated formula: C46 H35 F3 N2 O3 S
• Title of publication: Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.
• Authors of publication: Zapf, Ludwig; Rivard, Eric
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 6500 - 6506
• a: 11.1976 ± 0.0011 Å
• b: 17.9673 ± 0.0014 Å
• c: 19.1187 ± 0.0019 Å
• α: 90°
• β: 104.901 ± 0.003°
• γ: 90°
• Cell volume: 3717.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No