Information card for entry 7011379

Structure parameters

• Formula: C40 H48 Cl2 Mn2 N4 O14
• Calculated formula: C40 H48 Cl2 Mn2 N4 O14
• SMILES: [Mn]1234([OH2])Oc5ccc6ccccc6c5C=[N]2C(C)(C)C(C)(C)[N]3=Cc2c3ccccc3ccc2[O]1[Mn]123([OH2])Oc5ccc6ccccc6c5C=[N]2C(C)(C)C(C)(C)[N]3=Cc2c3ccccc3ccc2[O]14.[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC
• Title of publication: Out-of-plane dimers of Mn(III) quadridentate Schiff-base complexes with saltmen2− and naphtmen2− ligands: structure analysis and ferromagnetic exchange
• Authors of publication: Hitoshi Miyasaka; Rodolphe Clérac; Tomohiko Ishii; Ho-Chol Chang; Susumu Kitagawa; Masahiro Yamashita
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1528 - 1534
• a: 20.83 ± 0.001 Å
• b: 13.596 ± 0.001 Å
• c: 7.526 ± 0.001 Å
• α: 90°
• β: 89.818 ± 0.008°
• γ: 90°
• Cell volume: 2131.4 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No