Information card for entry 7032637

Structure parameters

• Formula: C18 H16 Cl2 Cu N6 O11
• Calculated formula: C18 H16 Cl2 Cu N6 O11
• Title of publication: Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.
• Authors of publication: Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17156 - 17162
• a: 12.3685 ± 0.0009 Å
• b: 15.4917 ± 0.0012 Å
• c: 12.9541 ± 0.001 Å
• α: 90°
• β: 111.295 ± 0.001°
• γ: 90°
• Cell volume: 2312.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No