Information card for entry 7002317

Structure parameters

• Formula: C34 H36 Cl2 Mn N4
• Calculated formula: C34 H36 Cl2 Mn N4
• SMILES: [Mn]12(Cl)([n]3ccccc3c3[n]1c1c(cc3)[C@H]3C([C@H](C3)C1)(C)C)(Cl)[n]1ccccc1c1[n]2c2C[C@@H]3C([C@H](c2cc1)C3)(C)C
• 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: 9.115 ± 0.006 Å
• b: 15.739 ± 0.011 Å
• c: 25.528 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3662 ± 4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.2524
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No