Information card for entry 7230806

Structure parameters

• Formula: C2 H10 I4 N2 O0.042 Pb
• Calculated formula: C2 H10 I4 N2 O0.0422333 Pb
• Title of publication: Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4
• Authors of publication: Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 3543
• a: 14.5906 ± 0.0001 Å
• b: 14.5906 ± 0.0001 Å
• c: 32.7775 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6043 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7129 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No