Information card for entry 1514498

Structure parameters

• Formula: C22 H26 Cu3 N8 O2
• Calculated formula: C22 H26 Cu3 N8 O2
• Title of publication: A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour
• Authors of publication: Wang, Jun-Hao; Li, Mian; Li, Dan
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1793
• a: 11.5152 ± 0.0003 Å
• b: 11.312 ± 0.0004 Å
• c: 12.6953 ± 0.0004 Å
• α: 114.171 ± 0.003°
• β: 91.497 ± 0.003°
• γ: 68.347 ± 0.003°
• Cell volume: 1386.93 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No