Information card for entry 2226257

Structure parameters

• Chemical name: (1,10-Phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-thioxo-1,2- dihydropyridine-3-carboxylato-κ^2^<i>O</i>,<i>S</i>)manganese(II)
• Formula: C24 H16 Mn N4 O4 S2
• Calculated formula: C24 H16 Mn N4 O4 S2
• SMILES: [Mn]123([S]=c4[nH]cccc4C(=O)O1)([S]=c1[nH]cccc1C(=O)O2)[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: (1,10-Phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-thioxo-1,2-dihydropyridine-3-carboxylato-κ^2^<i>O</i>,<i>S</i>)manganese(II)
• Authors of publication: Li, Wei-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m646
• a: 7.2369 ± 0.0007 Å
• b: 11.0966 ± 0.0012 Å
• c: 15.129 ± 0.0017 Å
• α: 105.177 ± 0.006°
• β: 90.079 ± 0.005°
• γ: 102.429 ± 0.005°
• Cell volume: 1142.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes