Information card for entry 2010322

Structure parameters

• Chemical name: Bis[2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium] hexachlorodicuprate
• Formula: C34 H42 Cl6 Cu2 N8 O6
• Calculated formula: C34 H42 Cl6 Cu2 N8 O6
• SMILES: c1(nc(nc([o+]1)c1ccccc1)N1CCOCC1)N1CCOCC1.Cl[Cu]1(Cl)[Cl][Cu](Cl)(Cl)[Cl]1.c1([o+]c(nc(n1)N1CCOCC1)c1ccccc1)N1CCOCC1
• Title of publication: Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate
• Authors of publication: Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1886 - 1888
• a: 8.384 ± 0.004 Å
• b: 17.147 ± 0.004 Å
• c: 14.889 ± 0.004 Å
• α: 90°
• β: 99.26 ± 0.03°
• γ: 90°
• Cell volume: 2112.6 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 0.656
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No