Information card for entry 7107092

Structure parameters

• Formula: C25 H22 Cl2 N2 O10 Re2
• Calculated formula: C25 H22 Cl2 N2 O10 Re2
• SMILES: [Re]12(C#[O])(C#[O])(C#[O])[n]3ccccc3[C@@H]([O]1[Re]1(C#[O])(C#[O])(C#[O])[n]3ccccc3[C@@H]([O]21)CC(=O)C)CC(=O)C.C(Cl)Cl.[Re]12(C#[O])(C#[O])(C#[O])[n]3ccccc3[C@H]([O]1[Re]1(C#[O])(C#[O])(C#[O])[n]3ccccc3[C@H]([O]21)CC(=O)C)CC(=O)C.C(Cl)Cl
• Title of publication: pH-driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes
• Authors of publication: Celedonio Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12765
• a: 9.771 ± 0.004 Å
• b: 10.788 ± 0.005 Å
• c: 16.627 ± 0.007 Å
• α: 76.752 ± 0.007°
• β: 76.379 ± 0.007°
• γ: 64.443 ± 0.007°
• Cell volume: 1520.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No