Information card for entry 7700994

Structure parameters

• Formula: C44 H67 Cl N5 Nb O3
• Calculated formula: C44 H67 Cl N5 Nb O3
• 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: 11.0086 ± 0.0016 Å
• b: 15.84 ± 0.002 Å
• c: 15.982 ± 0.002 Å
• α: 103.559 ± 0.003°
• β: 93.8 ± 0.003°
• γ: 108.092 ± 0.003°
• Cell volume: 2545.9 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No