Information card for entry 7230785

Structure parameters

• Formula: C5 H11 Cu N O6
• Calculated formula: C5 Cu N O6
• Title of publication: Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure
• Authors of publication: Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 5.4239 ± 0.0008 Å
• b: 5.9107 ± 0.0012 Å
• c: 5.755 ± 0.005 Å
• α: 95.38 ± 0.04°
• β: 89.33 ± 0.04°
• γ: 96.927 ± 0.015°
• Cell volume: 182.35 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.41108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No