Information card for entry 7013641

Structure parameters

• Formula: C28 H28 Cl4 Mn2 N8 O4
• Calculated formula: C28 H28 Cl4 Mn2 N8 O4
• SMILES: c1cccc2c3c(ncc[n]3[Mn]3([n]12)([OH2])([Cl][Mn]1([n]2ccccc2c2c(ncc[n]12)c1ncccc1)([OH2])([Cl]3)Cl)Cl)c1ncccc1.O.O
• Title of publication: 2,2?-Bipyrimidine- and 2,3-bis(2-pyridyl)pyrazine-containing manganese(ii) compounds: structural and magnetic properties
• Authors of publication: Armentano, Donatella; de Munno, Giovanni; Guerra, Francesca; Faus, Juan; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4626
• a: 9.891 ± 0.002 Å
• b: 11.031 ± 0.002 Å
• c: 15.067 ± 0.003 Å
• α: 90°
• β: 93.61 ± 0.03°
• γ: 90°
• Cell volume: 1640.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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 all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No