Information card for entry 7700991

Structure parameters

• Formula: C35 H49 F3 N3 O5 S
• Calculated formula: C35 H49 F3 N3 O5 S
• Title of publication: A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.
• Authors of publication: Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14611 - 14625
• a: 16.821 ± 0.005 Å
• b: 12.129 ± 0.003 Å
• c: 19.288 ± 0.005 Å
• α: 90°
• β: 111.467 ± 0.005°
• γ: 90°
• Cell volume: 3662.2 ± 1.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.1665
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2557
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No