Information card for entry 4101542

Structure parameters

• Formula: C23 H8 Cu2 N18 O8
• Calculated formula: C23 H8 Cu2 N18 O8
• Title of publication: Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.
• Authors of publication: Dinca, Mircea; Yu, Anta F; Long, Jeffrey R
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 27
• Pages of publication: 8904 - 8913
• a: 22.34 ± 0.004 Å
• b: 7.079 ± 0.001 Å
• c: 13.644 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.775 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No