Information card for entry 7002319

Structure parameters

• Formula: C34 H42 Mn N6 O9
• Calculated formula: C34 H38 Mn N6 O9
• SMILES: [Mn]12([OH2])(ON(=O)=O)([n]3ccccc3c3[n]1c1c(cc3)[C@@H]3C[C@@H](C3(C)C)C1)[n]1ccccc1c1[n]2c2c(cc1)[C@@H]1C[C@@H](C1(C)C)C2.O=N(=O)[O-].O.O
• 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: 8.953 ± 0.007 Å
• b: 12.691 ± 0.01 Å
• c: 31.31 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3558 ± 5 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: 0.2931
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No