Information card for entry 4505858

Structure parameters

• Common name: CuCl4 + 2DMANH
• Formula: C28 H38 Cl4 Cu N4
• Calculated formula: C28 H38 Cl4 Cu N4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+](c1cccc2cccc(N(C)C)c12)(C)C.N(c1cccc2cccc([NH+](C)C)c12)(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: 9.9 ± 0.004 Å
• b: 9.926 ± 0.001 Å
• c: 16.705 ± 0.003 Å
• α: 83.825 ± 0.012°
• β: 86.673 ± 0.023°
• γ: 71.387 ± 0.019°
• Cell volume: 1546.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No