Information card for entry 7040821

Structure parameters

• Formula: C96 H84 Br4 Cu10 N18
• Calculated formula: C96 H84 Br4 Cu10 N18
• Title of publication: A luminescent cationic metal-organic framework featuring [Cu-pyrazolate]3 units for volatile organic compound sensing.
• Authors of publication: Kivi, Charlie E.; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17087 - 17090
• a: 19.6076 ± 0.0013 Å
• b: 27.694 ± 0.0016 Å
• c: 21.551 ± 0.002 Å
• α: 90°
• β: 107.054 ± 0.002°
• γ: 90°
• Cell volume: 11187.9 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No