Information card for entry 2208399

Structure parameters

• Chemical name: cis-Diaqua(1,10-phenanthroline-κ^2^N,N')(pyridine-2,5-dicarboxylato- κ^2^N,O)manganese(II) monohydrate
• Formula: C19 H17 Mn N3 O7
• Calculated formula: C19 H17 Mn N3 O7
• SMILES: O.[Mn]12([OH2])([OH2])(OC(=O)c3[n]1cc(C(=O)[O-])cc3)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: <i>cis</i>-Diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)manganese(II) monohydrate
• Authors of publication: Shu-Min Zhao; Tian-Xing Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m508 - m510
• a: 7.4549 ± 0.0003 Å
• b: 10.2413 ± 0.0004 Å
• c: 12.4397 ± 0.0009 Å
• α: 90.141 ± 0.004°
• β: 92.127 ± 0.003°
• γ: 90.463 ± 0.001°
• Cell volume: 949.06 ± 0.09 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes