Information card for entry 4505860

Structure parameters

• Common name: ZnCl4 + 2DMANH
• Formula: C28 H38 Cl4 N4 Zn
• Calculated formula: C28 H38 Cl4 N4 Zn
• SMILES: c1(cccc2cccc(c12)N(C)C)[NH+](C)C.Cl[Zn](Cl)([Cl-])[Cl-].c1(cccc2cccc(c12)N(C)C)[NH+](C)C
• Title of publication: Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds
• Authors of publication: Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2001
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 485
• a: 15.237 ± 0.003 Å
• b: 11.774 ± 0.002 Å
• c: 17.443 ± 0.004 Å
• α: 90°
• β: 94.113 ± 0.004°
• γ: 90°
• Cell volume: 3121.2 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No