Information card for entry 7103324

Structure parameters

• Formula: C15 H34 Cl2 Cu9 N21 O17.5
• Calculated formula: C15 H34.14 Cl2 Cu9 N21 O17.53
• Title of publication: A metal-organic framework containing discrete single-walled nanotubes based on curved trinuclear [Cu3(micro3-O)(micro-OH)(triazolate)2]+ building blocks.
• Authors of publication: Huang, Xiao-Chun; Luo, Wei; Shen, Yu-Feng; Lin, Xin-Jian; Li, Dan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 3995 - 3997
• a: 12.5396 ± 0.0003 Å
• b: 12.5396 ± 0.0003 Å
• c: 13.9133 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1894.65 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No