Information card for entry 7037294

Structure parameters

• Formula: C46 H59 F6 N4 O P Ru
• Calculated formula: C46 H59 F6 N4 O P Ru
• SMILES: [Ru]1234([n]5ccccc5)([n]5ccccc5)([cH]5[cH]1[cH]2[cH]3[cH]45)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• Title of publication: NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.
• Authors of publication: Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 208 - 215
• a: 12.0812 ± 0.0003 Å
• b: 12.9431 ± 0.0003 Å
• c: 14.3806 ± 0.0003 Å
• α: 98.2779 ± 0.0011°
• β: 99.9999 ± 0.001°
• γ: 90.2522 ± 0.0012°
• Cell volume: 2190.44 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No