Information card for entry 7132747

Structure parameters

• Common name: Guanadinium Erbium(III) Formate Oxalate
• Chemical name: 12_GUA03
• Formula: C5 H8 Er N3 O8
• Calculated formula: C5 H8 Er N3 O8
• Title of publication: Negative linear compressibility exhibited by the hybrid perovskite [(NH₂)₃C]Er(HCO₂)₂(C₂O₄).
• Authors of publication: Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 24
• Pages of publication: 3271 - 3274
• a: 8.4551 ± 0.00013 Å
• b: 6.584 ± 0.00007 Å
• c: 19.2134 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.58 ± 0.1 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.4859 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No