Information card for entry 7709242

Structure parameters

• Formula: C48 H32 Ce N16 O24 Zn2
• Calculated formula: C48 H32 Ce N16 O24 Zn2
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Zn]24([n]13)([n]1cccc3c1c1c(cc3)ccc[n]21)ON(=[O]4)=O.c1ccc2c3c4c(cc2)ccc[n]4[Zn]24([n]13)([n]1cccc3c1c1c(cc3)ccc[n]21)ON(=[O]4)=O.N1(=O)=[O][Ce]23456(ON(=[O]3)=O)(ON(=[O]2)=O)(ON(=[O]4)=O)(ON(=[O]5)=O)(ON(=[O]6)=O)O1
• 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: 10.6305 ± 0.0004 Å
• b: 11.1191 ± 0.0004 Å
• c: 12.8841 ± 0.0006 Å
• α: 77.466 ± 0.007°
• β: 87.974 ± 0.009°
• γ: 80.305 ± 0.009°
• Cell volume: 1465.39 ± 0.12 ų
• Cell temperature: 293 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: 0.0486
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No