Information card for entry 7709241

Structure parameters

• Formula: C80 H64 Cl4 N20 O28.17 Zn4
• Calculated formula: C80 H64 Cl4 N20 O28.144 Zn4
• 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: 10.385 ± 0.004 Å
• b: 12.958 ± 0.005 Å
• c: 16.648 ± 0.007 Å
• α: 90°
• β: 107.358 ± 0.016°
• γ: 90°
• Cell volume: 2138.3 ± 1.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No