Information card for entry 4111324

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 [J. Am. Chem. Soc.2006,128, 8904-8913].
• Authors of publication: Mircea Dincǎ; Anta F. Yu; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 17153 - 17153
• a: 22.249 ± 0.002 Å
• b: 7.0528 ± 0.0008 Å
• c: 13.5747 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.1 ± 0.4 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: 0.0745
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.775 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No