Information card for entry 2011799

Structure parameters

• Common name: doxylamine tetrachlorocuprate(II)
• Chemical name: {2-[1-dimethylammonioethoxy)-1-phenylethyl]pyridinium} tetrachlorocuprate(II)
• Formula: C17 H24 Cl4 Cu N2 O
• Calculated formula: C17 H24 Cl4 Cu N2 O
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].O(C(c1[nH+]cccc1)(c1ccccc1)C)CC[NH+](C)C
• Title of publication: Doxylaminium tetrachlorocuprate(II)
• Authors of publication: Braitenbach, Kristin; Parvez, Masood
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 262 - 263
• a: 16.807 ± 0.002 Å
• b: 9.3006 ± 0.0016 Å
• c: 13.7677 ± 0.001 Å
• α: 90°
• β: 106.682 ± 0.01°
• γ: 90°
• Cell volume: 2061.5 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes