Information card for entry 7118778

Structure parameters

• Formula: C63 H66 B N2 O3 P2 Ru
• Calculated formula: C63 H66 B N2 O3 P2 Ru
• Title of publication: Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.
• Authors of publication: Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4148 - 4151
• a: 12.4687 ± 0.0013 Å
• b: 15.731 ± 0.0016 Å
• c: 17.5343 ± 0.0019 Å
• α: 67.02 ± 0.004°
• β: 80.866 ± 0.005°
• γ: 70.636 ± 0.004°
• Cell volume: 2985.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No