Information card for entry 7038985

Structure parameters

• Formula: C29 H29 Cl2 P Ru S
• Calculated formula: C29 H29 Cl2 P Ru S
• SMILES: [Ru]12345(Cl)([P@](c6ccccc6)(c6c7sc8c(c7ccc6)cccc8)C)([c]6([cH]1[cH]3[c]2([cH]4[cH]56)C)C(C)C)Cl
• Title of publication: Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.
• Authors of publication: Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8513 - 8531
• a: 7.2995 ± 0.0007 Å
• b: 17.5838 ± 0.0017 Å
• c: 10.6219 ± 0.0011 Å
• α: 90°
• β: 100.738 ± 0.004°
• γ: 90°
• Cell volume: 1339.5 ± 0.2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No