Information card for entry 4330146

Structure parameters

• Formula: C17 H17 Cu N3 O7
• Calculated formula: C17 H17 Cu N3 O7
• Title of publication: Topological Difference in 2D Layers Steers the Formation of Rigid and Flexible 3D Supramolecular Isomers: Impact on the Adsorption Properties
• Authors of publication: Prakash Kanoo; Ryotaro Matsuda; Ryo Kitaura; Susumu Kitagawa; Tapas Kumar Maji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9141 - 9143
• a: 28.923 ± 0.005 Å
• b: 13.373 ± 0.005 Å
• c: 9.993 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3865 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No