Information card for entry 7709244

Structure parameters

• Formula: C20 H16 Ce Cu N10 O18
• Calculated formula: C20 H16 Ce Cu N10 O18
• SMILES: [Ce]123456([O]=N(=O)O2)([O]=N(=O)O1)(ON(=[O]5)=O)(ON(=O)=[O]4)(ON(=[O]6)=O)[O]=N(=O)O3.[Cu]12([n]3c(c4[n]1cccc4)cccc3)[n]1c(cccc1)c1[n]2cccc1
• Title of publication: De novo synthesis of hybrid d–f block metal complex salts for electronic charge transport applications
• Authors of publication: Mahato, Shreya; Mondal, Amit; Das, Mainak; Joshi, Mayank; Ray, Partha Pratim; Roy Choudhury, Angshuman; Reddy, C. Malla; Biswas, Bhaskar
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.183 ± 0.004 Å
• b: 16.108 ± 0.003 Å
• c: 20.453 ± 0.004 Å
• α: 90°
• β: 91.45 ± 0.009°
• γ: 90°
• Cell volume: 5989 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1019
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No