Information card for entry 7011381

Structure parameters

• Formula: C21 H22 Mn N3 O2 S
• Calculated formula: C21 H22 Mn N3 O2 S
• SMILES: [Mn]123(Oc4ccccc4C=[N]2C(C)(C)C([N]3=Cc2ccccc2O1)(C)C)N=C=S
• 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: 8.28 ± 0.0006 Å
• b: 19.873 ± 0.002 Å
• c: 12.1163 ± 0.0003 Å
• α: 90°
• β: 95.7988 ± 0.0006°
• γ: 90°
• Cell volume: 1983.5 ± 0.3 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.675
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No