Information card for entry 2234334

Structure parameters

• Chemical name: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate
• Formula: C40 H34 N6 O11 Zn
• Calculated formula: C40 H34 N6 O11 Zn
• SMILES: [Zn]1234([n]5c(C(=O)O3)cccc5C(=O)O1)[n]1c(C(=O)O2)cccc1C(=O)O4.[nH+]1c2c(cccc2)c(c2c1cccc2)N.O.c12[nH+]c3c(c(N)c1cccc2)cccc3.O.O
• Title of publication: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate
• Authors of publication: Mirzaei, M.; Eshtiagh-Hosseini, H.; Eydizadeh, E.; Yousefi, Z.; Molčanov, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m355 - m356
• a: 10.8763 ± 0.0003 Å
• b: 13.3802 ± 0.0003 Å
• c: 13.992 ± 0.0004 Å
• α: 102.359 ± 0.002°
• β: 103.585 ± 0.002°
• γ: 105.137 ± 0.002°
• Cell volume: 1826.44 ± 0.09 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: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes