Information card for entry 1549441

Structure parameters

• Formula: C14 H14 Mn N4 O7
• Calculated formula: C14 H14 Mn N4 O7
• SMILES: [OH2][Mn]123(ON(=O)=[O]3)(ON(=O)=[O]2)[n]2c(C)ccc3c2c2[n]1c(C)ccc2cc3
• Title of publication: XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]
• Authors of publication: El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.
• Journal of publication: Polyhedron
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1405
• a: 7.5244 ± 0.0005 Å
• b: 10.5204 ± 0.0019 Å
• c: 20.806 ± 0.003 Å
• α: 90°
• β: 95.374 ± 0.011°
• γ: 90°
• Cell volume: 1639.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No