Information card for entry 7015093

Structure parameters

• Formula: C35 H33 B I N8 P Ru
• Calculated formula: C35 H33 B I N8 P Ru
• SMILES: c1ccn2[n]1[Ru]1([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3cccn3[BH]2n2ccc[n]12)([N]#Cc1ccccc1)[NH]=C.[I-]
• Title of publication: Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.
• Authors of publication: Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2711 - 2715
• a: 26.1429 ± 0.0005 Å
• b: 26.1429 ± 0.0005 Å
• c: 31.4567 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18618.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No