Information card for entry 2211351

Structure parameters

• Chemical name: Triaqua-bis[bis(3,5-dimethyl-1,2,4-triazol-1-yl)methane]- copper(II) bis(perchlorate)
• Formula: C18 H34 Cl2 Cu N12 O11
• Calculated formula: C18 H34 Cl2 Cu N12 O11
• Title of publication: Triaquabis[bis(3,5-dimethyl-1,2,4-triazol-1-yl)methane-κ<i>N</i>^4^]copper(II) bis(perchlorate)
• Authors of publication: Xiang, Qun; Cheng, Yu; Ling, Yun; Zhang, Lei; Shi, Li-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3462 - m3464
• a: 9.2157 ± 0.0003 Å
• b: 9.2157 ± 0.0003 Å
• c: 37.458 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3181.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes