Information card for entry 7002322

Structure parameters

• Formula: C17 H20 Cl2 Mn N2 O
• Calculated formula: C17 H20 Cl2 Mn N2 O
• SMILES: [Mn]1(Cl)([n]2ccccc2c2[n]1c1c(cc2)[C@H]2C([C@@H](C1)C2)(C)C)(Cl)[OH2]
• Title of publication: Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions
• Authors of publication: Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 8117 - 8126
• a: 8.189 ± 0.005 Å
• b: 8.755 ± 0.005 Å
• c: 26.303 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.8 ± 1.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No