Information card for entry 1550032

Structure parameters

• Chemical name: KAZn
• Formula: C34 H13 F28 N4 O Zn
• Calculated formula: C34 H14 F28 N4 O Zn
• SMILES: [Zn]123([OH]CC)n4c5C(=c6[n]1c(C(=c1n2c(=C(C(F)(F)C(F)(F)C(F)(F)F)c2[n]3c(=C(c4cc5)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1)C(F)(F)C(F)(F)C(F)(F)F)cc6)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential
• Authors of publication: Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M.
• Journal of publication: Materials Horizons
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 192
• a: 13.983 ± 0.0009 Å
• b: 16.9424 ± 0.0011 Å
• c: 19.1273 ± 0.0011 Å
• α: 77.146 ± 0.001°
• β: 74.236 ± 0.001°
• γ: 75.997 ± 0.002°
• Cell volume: 4171.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No