Information card for entry 7055711

Structure parameters

• Formula: C22 H20 Cu3 N6 O12
• Calculated formula: C22 H20 Cu3 N6 O12
• Title of publication: The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine
• Authors of publication: Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 8100 - 8109
• a: 6.539 ± 0.004 Å
• b: 8.752 ± 0.005 Å
• c: 12.35 ± 0.007 Å
• α: 97.275 ± 0.009°
• β: 101.14 ± 0.009°
• γ: 110.523 ± 0.009°
• Cell volume: 634.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No