Information card for entry 2231285

Structure parameters

• Chemical name: Bis(4-methylmorpholin-4-ium) tetrabromidozincate(II)
• Formula: C10 H24 Br4 N2 O2 Zn
• Calculated formula: C10 H24 Br4 N2 O2 Zn
• SMILES: [Zn](Br)(Br)([Br-])[Br-].[NH+]1(CCOCC1)C.[NH+]1(CCOCC1)C
• Title of publication: Bis(4-methylmorpholin-4-ium) tetrabromidozincate(II)
• Authors of publication: Peng, Cong-hu; Li, Yun-peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1056
• a: 7.5 ± 0.0015 Å
• b: 20.925 ± 0.004 Å
• c: 12.67 ± 0.003 Å
• α: 90°
• β: 103.33 ± 0.03°
• γ: 90°
• Cell volume: 1934.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes