Information card for entry 4112107

Structure parameters

• Formula: C22 H17 Cu N3 O8
• Calculated formula: C22 H17 Cu N3 O8
• Title of publication: Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation
• Authors of publication: Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17152 - 17153
• a: 13.9126 ± 0.001 Å
• b: 15.0856 ± 0.0013 Å
• c: 21.6595 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4545.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No