Information card for entry 7001931

Structure parameters

• Formula: C62 H80 Cl11 F N4 O4 Ru2
• Calculated formula: C58 H72 Cl3 F N4 O4 Ru2
• SMILES: [Ru]12([Cl][Ru]([Cl]1)([Cl]2)(C#[O])(C#[O])=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[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: 14.11 ± 0.02 Å
• b: 34.04 ± 0.05 Å
• c: 15.18 ± 0.02 Å
• α: 90°
• β: 100.74 ± 0.03°
• γ: 90°
• Cell volume: 7163 ± 17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No