Information card for entry 7700996

Structure parameters

• Formula: C39 H61 Mo N5 O2
• Calculated formula: C39 H61 Mo N5 O2
• 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: 39.691 ± 0.011 Å
• b: 39.691 ± 0.011 Å
• c: 14.511 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19798 ± 9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No