Information card for entry 7031399

Structure parameters

• Formula: C37 H44 B Cl Li N4 O2
• Calculated formula: C37 H44 B Cl Li N4 O2
• Title of publication: Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.
• Authors of publication: Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14368 - 14376
• a: 11.1516 ± 0.0011 Å
• b: 12.6605 ± 0.0012 Å
• c: 13.3783 ± 0.0013 Å
• α: 85.243 ± 0.002°
• β: 69.278 ± 0.001°
• γ: 88.683 ± 0.002°
• Cell volume: 1760.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No