Information card for entry 2232015

Structure parameters

• Chemical name: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) trihydrate
• Formula: C40 H34 Mn N6 O11
• Calculated formula: C40 H34 Mn N6 O11
• SMILES: [Mn]1234(OC(=O)c5[n]2c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O3.[nH+]1c2c(c(N)c3c1cccc3)cccc2.[nH+]1c2c(c(N)c3c1cccc3)cccc2.O.O.O
• Title of publication: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) trihydrate
• Authors of publication: Eshtiagh-Hosseini, Hossien; Mirzaei, Masoud; Eydizadeh, Ehsan; Yousefi, Zakieh; Molčanov, Krešimir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1411 - m1412
• a: 10.8202 ± 0.0004 Å
• b: 13.5186 ± 0.0005 Å
• c: 13.9844 ± 0.0005 Å
• α: 102.351 ± 0.003°
• β: 103.466 ± 0.003°
• γ: 104.868 ± 0.003°
• Cell volume: 1839.43 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes