Information card for entry 4086083

Structure parameters

• Formula: C40 H61 N O4 P2 Ru
• Calculated formula: C40 H61 N O4 P2 Ru
• SMILES: [Ru]1(Oc2[n]1ccc(OCc1ccccc1)c2)(/C=C/c1ccc(OC)cc1)([P](C(C)C)(C(C)C)C(C)C)([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: 10.538 ± 0.002 Å
• b: 14.021 ± 0.003 Å
• c: 15.444 ± 0.003 Å
• α: 63.61 ± 0.03°
• β: 81.98 ± 0.03°
• γ: 75.88 ± 0.03°
• Cell volume: 1981.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1734
• Residual factor for significantly intense reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No