Information card for entry 7023321

Structure parameters

• Formula: C58 H55 B Cl N P2 Ru
• Calculated formula: C58 H55 B Cl N P2 Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(Cl)[B]5([CH]2=[CH]3C4[N]15C(C)(C)C)C#Cc1ccccc1.c1(ccccc1)C
• Title of publication: A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.
• Authors of publication: Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11976 - 11980
• a: 13.1299 ± 0.0003 Å
• b: 13.8383 ± 0.0003 Å
• c: 27.1041 ± 0.0006 Å
• α: 79.247 ± 0.002°
• β: 84.9 ± 0.002°
• γ: 81.114 ± 0.002°
• Cell volume: 4770.98 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No