Information card for entry 4505861

Structure parameters

• Common name: Cu2Cl6 + 2PSPG
• Formula: C14 H19 Cl3 Cu N2
• Calculated formula: C14 H19 Cl3 Cu N2
• 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: 14.816 ± 0.003 Å
• b: 12.46 ± 0.002 Å
• c: 18.734 ± 0.003 Å
• α: 90°
• β: 93.95 ± 0.03°
• γ: 90°
• Cell volume: 3450.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.12
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No