Information card for entry 7709243

Structure parameters

• Formula: C48 H33 Ce Cu2 N17 O27
• Calculated formula: C48 H33 Ce Cu2 N17 O27
• 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: 10.5189 ± 0.0007 Å
• b: 10.9751 ± 0.0004 Å
• c: 12.8796 ± 0.0007 Å
• α: 77.538 ± 0.008°
• β: 88.428 ± 0.008°
• γ: 80.416 ± 0.008°
• Cell volume: 1431.55 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0551
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No