Information card for entry 7036824

Structure parameters

• Chemical name: guanidinium cadmium formate
• Formula: C4 H9 Cd N3 O6
• Calculated formula: C4 H9 Cd N3 O6
• Title of publication: Compositional dependence of anomalous thermal expansion in perovskite-like ABX3 formates.
• Authors of publication: Collings, Ines E.; Hill, Joshua A.; Cairns, Andrew B.; Cooper, Richard I.; Thompson, Amber L.; Parker, Julia E.; Tang, Chiu C.; Goodwin, Andrew L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4169 - 4178
• a: 9.2172 ± 0.0004 Å
• b: 9.2172 ± 0.0004 Å
• c: 19.4982 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1434.57 ± 0.11 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for all reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No