Information card for entry 7004074

Structure parameters

• Formula: C31 H52 Cl2 F12 N2 O2 Ru Sb2
• Calculated formula: C31 H52 Cl2 F12 N2 O2 Ru Sb2
• SMILES: [Ru]123456([OH2])([n]7ccccc7C[NH]1[C@H]1C[C@H]7CC[C@@]1(C7(C)C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-].O(CC)CC.ClCCl
• 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: 10.395 ± 0.003 Å
• b: 11.073 ± 0.003 Å
• c: 36.007 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4144.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No