Information card for entry 4504407

Structure parameters

• Formula: C27 H27 Cl4 Cu N6 S2
• Calculated formula: C27 H27 Cl4 Cu N6 S2
• Title of publication: Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2
• Authors of publication: Lenthall, Joseph T.; Anderson, Kirsty M.; Smith, Stephen J.; Steed, Jonathan W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1858
• a: 10.6215 ± 0.0012 Å
• b: 11.8452 ± 0.0013 Å
• c: 14.125 ± 0.0016 Å
• α: 109.281 ± 0.002°
• β: 90.098 ± 0.002°
• γ: 113.112 ± 0.002°
• Cell volume: 1525.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No