Information card for entry 7033696

Structure parameters

• Formula: C45.3 H38.6 B Cl0.6 N O6 P2 Ru
• Calculated formula: C45.3 H38.6 B Cl0.6 N O6 P2 Ru
• Title of publication: Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.
• Authors of publication: Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5713 - 5726
• a: 12.2088 ± 0.0003 Å
• b: 19.7555 ± 0.0004 Å
• c: 21.8833 ± 0.0005 Å
• α: 64.8712 ± 0.0013°
• β: 79.6801 ± 0.0012°
• γ: 89.3128 ± 0.0015°
• Cell volume: 4689.03 ± 0.19 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.2104
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9627
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No