Information card for entry 4517136

Structure parameters

• Formula: C52 H56 Co4 F6 N15 O16 P
• Calculated formula: C52 H56 Co4 F6 N15 O16 P
• Title of publication: Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study
• Authors of publication: Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik
• Journal of publication: ACS Omega
• Year of publication: 2019
• a: 19 ± 0.005 Å
• b: 13.808 ± 0.004 Å
• c: 24.205 ± 0.008 Å
• α: 90°
• β: 104.68 ± 0.009°
• γ: 90°
• Cell volume: 6143 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No