Information card for entry 4310158

Structure parameters

• Formula: C22 H18 Cu N2 O6
• Calculated formula: C22 H16 Cu N2 O6.2
• Title of publication: Transformation from a 2D Stacked Layer to 3D Interpenetrated Framework by Changing the Spacer Functionality: Synthesis, Structure, Adsorption, and Magnetic Properties
• Authors of publication: Tapas Kumar Maji; Masaaki Ohba; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9225 - 9231
• a: 11.028 ± 0.019 Å
• b: 11.16 ± 0.03 Å
• c: 7.678 ± 0.013 Å
• α: 90°
• β: 103.3 ± 0.05°
• γ: 90°
• Cell volume: 920 ± 3 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No