Information card for entry 7126787

Structure parameters

• Formula: C38 H42 Cl4 Co Fe2 N4
• Calculated formula: C38 H42 Cl4 Co Fe2 N4
• SMILES: [Fe]1(Cl)(Cl)[n]2c3c([n]4[Fe](Cl)(Cl)[n]5c(c4c2c2[n]1cccc2)cccc5)cccc3.[Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.
• Authors of publication: Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 64
• Pages of publication: 9122 - 9125
• a: 13.44 ± 0.003 Å
• b: 15.842 ± 0.003 Å
• c: 18.607 ± 0.004 Å
• α: 90°
• β: 102.501 ± 0.01°
• γ: 90°
• Cell volume: 3867.8 ± 1.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0309
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No