Information card for entry 1514501

Structure parameters

• Formula: C22 H24 Cu3 N9 O
• Calculated formula: C22 H24 Cu3 N9 O
• 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: 11.37 ± 0.0004 Å
• b: 11.4274 ± 0.0005 Å
• c: 12.1912 ± 0.0006 Å
• α: 67.952 ± 0.004°
• β: 87.743 ± 0.003°
• γ: 69.803 ± 0.003°
• Cell volume: 1370.45 ± 0.12 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: 0.0689
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No