Information card for entry 7021554

Structure parameters

• Formula: C34 H53 Cl N O2 P3 Ru
• Calculated formula: C34 H53 Cl N O2 P3 Ru
• SMILES: [RuH]12(Cl)([P](OCC[NH]2CCO[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10460 - 10472
• a: 21.9644 ± 0.0008 Å
• b: 17.3583 ± 0.0008 Å
• c: 20.1248 ± 0.0009 Å
• α: 90°
• β: 90.167 ± 0.003°
• γ: 90°
• Cell volume: 7672.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No