Information card for entry 7002320

Structure parameters

• Formula: C34 H36 Cl4 Mn2 N4
• Calculated formula: C34 H36 Cl4 Mn2 N4
• SMILES: [Mn]12([Cl][Mn]3([Cl]2)([n]2ccccc2c2[n]3c3c(cc2)[C@@H]2C[C@H](C3)C2(C)C)Cl)([n]2ccccc2c2[n]1c1c(cc2)[C@@H]2C[C@H](C1)C2(C)C)Cl
• 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: 7.6452 ± 0.0013 Å
• b: 8.406 ± 0.0015 Å
• c: 25.468 ± 0.004 Å
• α: 90°
• β: 91.982 ± 0.003°
• γ: 90°
• Cell volume: 1635.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No