Information card for entry 7023322

Structure parameters

• Formula: C51 H48 B N P2 Ru
• Calculated formula: C51 H48 B N P2 Ru
• SMILES: [RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[B]5([CH]2=[CH]3[CH]4=[N]15C(C)(C)C)C#Cc1ccccc1
• 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: 9.9813 ± 0.0004 Å
• b: 14.1738 ± 0.0005 Å
• c: 29.0404 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4108.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No