Information card for entry 7047524

Structure parameters

• Formula: C3 H8 Cu N3 O4
• Calculated formula: C3 H6 Cu N3 O3
• Title of publication: Developing a magnetic metal organic framework of copper bearing a mixed azido/butane-1,4-dicarboxylate bridge: magnetic and gas adsorption properties.
• Authors of publication: Hassanpoor, Azam; Mirzaei, Masoud; Niknam Shahrak, Mahdi; Majcher, Anna M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13849 - 13860
• a: 14.5619 ± 0.0004 Å
• b: 6.476 ± 0.0002 Å
• c: 7.4973 ± 0.0002 Å
• α: 90°
• β: 95.469 ± 0.003°
• γ: 90°
• Cell volume: 703.8 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No