Information card for entry 7001932

Structure parameters

• Formula: C46 H48 B4 F14 N4 O4 Ru
• Calculated formula: C46 H48 B4 F14 N4 O4 Ru
• SMILES: [Ru](C#[O])(C#[O])(C#[O])(C#[O])(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[B](F)(F)(F)[F][B](F)(F)F.[B](F)(F)(F)[F][B](F)(F)F
• Title of publication: N-Heterocyclic carbene-containing ruthenium difluoro complexes and their reactivity towards BF3
• Authors of publication: Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6861 - 6870
• a: 16.579 ± 0.004 Å
• b: 17.136 ± 0.004 Å
• c: 17.631 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5009 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No