Information card for entry 4086084

Structure parameters

• Formula: C34 H54 N2 O3 P2 Ru
• Calculated formula: C34 H54 N2 O3 P2 Ru
• SMILES: [Ru]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Oc2[n]1cccc2OC)(/C=C/c1ccc(cc1)C#N)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: 16.72 ± 0.003 Å
• b: 20.513 ± 0.004 Å
• c: 23.998 ± 0.008 Å
• α: 90°
• β: 120.08 ± 0.02°
• γ: 90°
• Cell volume: 7122 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1292
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No