Information card for entry 7155545

Structure parameters

• Formula: C33 H48 N2 Na P Ru
• Calculated formula: C33 H48 N2 Na P Ru
• SMILES: c12n(CC[P](C(C)C)(C(C)C)[RuH]34561[c]1(C)[c]3([c]4(C)[c]5([c]61C)C)C)c1c(n2)cc(C)c(C)c1.[Na+].c1ccccc1
• Title of publication: Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.
• Authors of publication: Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3466 - 3471
• a: 10.128 ± 0.003 Å
• b: 12.566 ± 0.003 Å
• c: 13.275 ± 0.004 Å
• α: 83.199 ± 0.005°
• β: 84.143 ± 0.005°
• γ: 68.651 ± 0.004°
• Cell volume: 1559.3 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No