Information card for entry 7700990

Structure parameters

• Formula: C62 H90 N6 O4
• Calculated formula: C62 H90 N6 O4
• 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: 14.116 ± 0.003 Å
• b: 15.693 ± 0.003 Å
• c: 16.506 ± 0.003 Å
• α: 69.462 ± 0.004°
• β: 82.703 ± 0.004°
• γ: 81.56 ± 0.004°
• Cell volume: 3375.7 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No