Information card for entry 7132753

Structure parameters

• Common name: Guanadinium Erbium(III) Formate Oxalate
• Chemical name: 36_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: 7.736 ± 0.008 Å
• b: 6.479 ± 0.005 Å
• c: 19.71 ± 0.12 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 988 ± 6 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: 0.1447
• Residual factor for significantly intense reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.2877
• Weighted residual factors for all reflections included in the refinement: 0.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.4859 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No