Information card for entry 7709849

Structure parameters

• Formula: C49 H63 Cd3 I2 N5 O9
• Calculated formula: C49 H63 Cd3 I2 N5 O9
• SMILES: I[Cd]123[O]4[Cd]56789([O]%10[Cd]%11%12(I)[O]7c7c(C=[N]%11CC(C[N]%12=Cc%11c%10c([O]5CC)ccc%11)(C)C)cccc7[O]9CC)[O](CC)c5c4c(ccc5)C=[N]3CC(C[N]2=Cc2c([O]16)c([O]8CC)ccc2)(C)C.N(C)(C=O)C
• Title of publication: Insight into charge transportation in cadmium based semiconducting organic–inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices
• Authors of publication: Roy, Sourav; Dey, Arka; Gomila, Rosa M.; Ortega-Castro, Joaquin; Frontera, Antonio; Ray, Partha Pratim; Chattopadhyay, Shouvik
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.792 ± 0.009 Å
• b: 14.624 ± 0.012 Å
• c: 16.775 ± 0.013 Å
• α: 92.589 ± 0.012°
• β: 103.555 ± 0.009°
• γ: 101.798 ± 0.01°
• Cell volume: 2740 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1338
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No