Information card for entry 4086082

Structure parameters

• Formula: C37 H54 F3 N O2 P2 Ru
• Calculated formula: C37 H54 F3 N O2 P2 Ru
• SMILES: [Ru]1([P](C(C)C)(C(C)C)C(C)C)(Oc2[n]1c1c(cc2)cccc1)(/C=C/c1ccc(cc1)C(F)(F)F)([P](C(C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline
• Authors of publication: Abdel-Rahman, Obadah S.; Maurer, Jörg; Záliš, Stanislav; Winter, Rainer F.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3611
• a: 44.471 ± 0.009 Å
• b: 9.0287 ± 0.0018 Å
• c: 18.372 ± 0.004 Å
• α: 90°
• β: 99.18 ± 0.03°
• γ: 90°
• Cell volume: 7282 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No