Information card for entry 7033705

Structure parameters

• Formula: C44 H42 Cl7 N O P2 Ru S2
• Calculated formula: C44 H42 Cl7 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: 9.90371 ± 0.00017 Å
• b: 15.5276 ± 0.0003 Å
• c: 18.2972 ± 0.0003 Å
• α: 66.3796 ± 0.0016°
• β: 77.3401 ± 0.0015°
• γ: 88.4075 ± 0.0014°
• Cell volume: 2509.67 ± 0.08 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: 0.0356
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9016
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No