Information card for entry 8102279

Structure parameters

• Chemical name: bis[1-adamantane-(1-phenyl)-2-propylene-ammonium] tetrachlorozincate
• Formula: C38 H52 Cl4 N2 Zn
• Calculated formula: C38 H52 Cl4 N2 Zn
• SMILES: C1C2CC3CC1(CC(C3)C2)[NH2+]C/C=C/c1ccccc1.C1C2CC3(CC1CC(C3)C2)[NH2+]C/C=C/c1ccccc1.[Cl-][Zn](Cl)(Cl)[Cl-]
• Title of publication: Crystal structure of bis[1-adamantane-(1-phenyl)-2-propylene-ammonium] tetrachlorozincate, [C19H26N]2[ZnCl4]
• Authors of publication: Xin Xiao; Ming-Qiang Wu; Yun-Qian Zhang; Sai-Feng Xue; Qian-Jiang Zhu; Zhu Tao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 157
• a: 14.915 ± 0.0006 Å
• b: 15.6147 ± 0.0006 Å
• c: 17.7489 ± 0.0008 Å
• α: 90°
• β: 114.082 ± 0.002°
• γ: 90°
• Cell volume: 3773.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No