Information card for entry 4326621

Structure parameters

• Formula: C16 H40 Cl4 N2 Zn
• Calculated formula: C16 H40 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH3+]CCCCCCCC.[NH3+]CCCCCCCC
• Title of publication: Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10, 12, and 13)
• Authors of publication: Yupu Liu; Youying Di; Donghua He; Qian Zhou; Jianmin Dou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10755 - 10764
• a: 7.3729 ± 0.0008 Å
• b: 10.3435 ± 0.0011 Å
• c: 32.512 ± 0.003 Å
• α: 90°
• β: 95.327 ± 0.001°
• γ: 90°
• Cell volume: 2468.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No