Information card for entry 4514292

Structure parameters

• Formula: C23 H23 Br Cl11 N5 Ru
• Calculated formula: C23 H23 Br Cl11 N5 Ru
• Title of publication: Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes
• Authors of publication: Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 8394
• a: 10.6051 ± 0.0008 Å
• b: 10.7857 ± 0.0009 Å
• c: 16.5095 ± 0.0015 Å
• α: 93.576 ± 0.007°
• β: 102.19 ± 0.007°
• γ: 107.715 ± 0.007°
• Cell volume: 1742 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0782
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No