Information card for entry 4002875

Structure parameters

• Formula: C6 H20 Br4 N2 Pd
• Calculated formula: C6 H20 Br4 N2 Pd
• SMILES: C([NH3+])CC.Br[Pd](Br)([Br-])[Br-].C(CC)[NH3+]
• Title of publication: Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations
• Authors of publication: Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 9946
• a: 11.7344 ± 0.0015 Å
• b: 8.5264 ± 0.0011 Å
• c: 7.5155 ± 0.0009 Å
• α: 90°
• β: 102.089 ± 0.004°
• γ: 90°
• Cell volume: 735.27 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No