Information card for entry 7004073

Structure parameters

• Formula: C26 H38 Cl F6 N2 Ru Sb
• Calculated formula: C26 H38 Cl F6 N2 Ru Sb
• SMILES: [Ru]123456(Cl)([n]7ccccc7C[NH]1[C@H]1C[C@H]7CC[C@@]1(C7(C)C)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Chiral pyridylamino-ruthenium(ii) complexes: synthesis, structure and catalytic properties in Diels‒Alder reactions
• Authors of publication: Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Rodríguez, Ricardo; Lahoz, Fernando J.; Dobrinovitch, Isabel T.; Oro, Luis A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3328 - 3338
• a: 11.9604 ± 0.0008 Å
• b: 10.8946 ± 0.0007 Å
• c: 12.1915 ± 0.0008 Å
• α: 90°
• β: 116.789 ± 0.001°
• γ: 90°
• Cell volume: 1418.1 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No