Information card for entry 4304411

Structure parameters

• Formula: C792 H1096 Cl28 Cu38 N312 O128
• Calculated formula: C216 H24 Cl12 Cu19.104 N96 O64.368
• Title of publication: Expanded Sodalite-Type Metal-Organic Frameworks: Increased Stability and H2 Adsorption through Ligand-Directed Catenation
• Authors of publication: Mircea Dincǎ; Anne Dailly; Charlene Tsay; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11 - 13
• a: 29.03 ± 0.004 Å
• b: 29.03 ± 0.004 Å
• c: 29.03 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24465 ± 6 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1751
• Residual factor for significantly intense reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.3524
• Weighted residual factors for all reflections included in the refinement: 0.364
• Goodness-of-fit parameter for all reflections included in the refinement: 4.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No