Information card for entry 1549033

Structure parameters

• Formula: C H5 Br3 N2 Pb
• Calculated formula: C Br3 N1.98 Pb
• Title of publication: Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ?
• Authors of publication: Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2018
• a: 8.347 ± 0.0005 Å
• b: 8.347 ± 0.0005 Å
• c: 10.218 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 616.53 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No