Information card for entry 7038984

Structure parameters

• Formula: C32 H35 Cl4 O P Ru
• Calculated formula: C32 H35 Cl4 O P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P@](C(C)C)(c6ccccc6)c6c7oc8ccccc8c7ccc6)[c]6([cH]1[cH]2[c]3(C(C)C)[cH]4[cH]56)C.ClCCl
• 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: 11.1253 ± 0.0006 Å
• b: 11.4269 ± 0.0007 Å
• c: 24.3531 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3096 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No