Information card for entry 8102150

Structure parameters

• Chemical name: 1,4-diazabicyclo[2.2.2]octane tetrachlorozincate
• Formula: C6 H14 Cl4 N2 Zn
• Calculated formula: C6 H14 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH+]12CC[NH+](CC1)CC2
• Title of publication: Refinement of the crystal structure of 1,4-diazabicyclo[2.2.2]octane tetrachlorozincate, (C~6~H~14~N~2~)(ZnCl~4~), at 153 K
• Authors of publication: Lu, Lu-Ping; Xie, Jian-Wu; Chen, Zhen-Hua; Tong, Guo-Tong; Li, Zu-Guang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 277 - 278
• a: 9.5046 ± 0.0003 Å
• b: 6.726 ± 0.0001 Å
• c: 18.2493 ± 0.0004 Å
• α: 90°
• β: 92.931 ± 0.001°
• γ: 90°
• Cell volume: 1165.11 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No