Information card for entry 7050981

Structure parameters

• Formula: C26 H22 Cl Cu N6 O2 S2
• Calculated formula: C26 H22 Cl Cu N6 O2 S2
• Title of publication: Versatile coordination patterns in the reaction system of N-benzoyl-N???-(2-pyridyl)thiourea with CuCl2. Their reaction conditions, systematic isolation and crystal structures
• Authors of publication: Li, Gang; Che, De-Ji; Li, Zi-Feng; Zhu, Yu; Zou, Da-Peng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 1629
• a: 10.761 ± 0.003 Å
• b: 36.62 ± 0.01 Å
• c: 7.511 ± 0.009 Å
• α: 90°
• β: 116.186 ± 0.006°
• γ: 90°
• Cell volume: 2656 ± 3 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0559
• Weighted residual factors for all reflections: 0.0503
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No