Information card for entry 7126785

Structure parameters

• Formula: C38 H42 Cl4 Co3 N4
• Calculated formula: C38 H42 Cl4 Co3 N4
• SMILES: [Co]1(Cl)(Cl)[n]2c3c([n]4[Co](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: 13.3704 ± 0.0004 Å
• b: 15.8172 ± 0.0005 Å
• c: 18.5339 ± 0.0006 Å
• α: 90°
• β: 102.526 ± 0.001°
• γ: 90°
• Cell volume: 3826.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No