Information card for entry 7207965

Structure parameters

• Formula: C6 H2 Cu2 N2 O4
• Calculated formula: C6 H2 Cu2 N2 O4
• Title of publication: Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation
• Authors of publication: Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 4153
• a: 19.3848 ± 0.0004 Å
• b: 12.5209 ± 0.0002 Å
• c: 7.7134 ± 0.0002 Å
• α: 90°
• β: 107.822 ± 0.001°
• γ: 90°
• Cell volume: 1782.32 ± 0.07 ų
• Cell temperature: 455 ± 2 K
• Ambient diffraction temperature: 455 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.578
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No