Information card for entry 2018705

Structure parameters

• Chemical name: Ethylenediammonium bis(5-chloroquinolin-8-olate)
• Formula: C20 H20 Cl2 N4 O2
• Calculated formula: C20 H20 Cl2 N4 O2
• SMILES: c1ccc2c(ccc(c2n1)[O-])Cl.[NH3+]CC[NH3+].c1ccc2c(ccc(c2n1)[O-])Cl
• Title of publication: Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol
• Authors of publication: Vranec, Peter; Potočňák, Ivan; Repovský, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m370 - m376
• a: 15.8369 ± 0.0005 Å
• b: 6.8335 ± 0.0003 Å
• c: 8.7459 ± 0.0004 Å
• α: 90°
• β: 96.087 ± 0.003°
• γ: 90°
• Cell volume: 941.16 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes