Information card for entry 2225489

Structure parameters

• Common name: di(harmalinium) tetrachloridozincate
• Chemical name: Bis(7-methoxy-1-methyl-4,9-dihydro-3<i>H</i>-β-carbolinium) tetrachloridozincate
• Formula: C26 H30 Cl4 N4 O2 Zn
• Calculated formula: C26 H30 Cl4 N4 O2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].O(c1ccc2c3c([nH]c2c1)C(=[NH+]CC3)C)C.[nH]1c2C(=[NH+]CCc2c2ccc(OC)cc12)C
• Title of publication: Bis(7-methoxy-1-methyl-4,9-dihydro-3<i>H</i>-β-carbolinium) tetrachloridozincate
• Authors of publication: Kadirova, Zukhra Ch.; Chepulsky, Stanislav A.; Parpiev, Nusrat A.; Talipov, Samat A.; Sharipov, Khasan T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m473
• a: 11.2314 ± 0.0002 Å
• b: 19.1274 ± 0.0002 Å
• c: 13.5614 ± 0.0002 Å
• α: 90°
• β: 107.08 ± 0.0016°
• γ: 90°
• Cell volume: 2784.87 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes