Information card for entry 7033703

Structure parameters

• Formula: C57 H55 Cl N O P2 Ru S2
• Calculated formula: C57 H55 Cl N O P2 Ru S2
• 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: 9.9889 ± 0.0005 Å
• b: 14.4392 ± 0.0012 Å
• c: 17.9821 ± 0.0013 Å
• α: 83.116 ± 0.006°
• β: 76.954 ± 0.005°
• γ: 85.934 ± 0.005°
• Cell volume: 2505.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1413
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections: 0.2778
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0523
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No