Information card for entry 7716161

Structure parameters

• Formula: C21 H20 Cl2 Co2 N4 O4
• Calculated formula: C21 H20 Cl2 Co2 N4 O4
• SMILES: [Co]1234([O]5[Co](Cl)([O]1c1ccccc1[N]3=Cc1[n]2c(ccc1)C=[N]4c1c5cccc1)Cl)([OH2])[N]#CC.O
• Title of publication: Halide mediated modulation of magnetic interaction and anisotropy in dimeric Co(II) complexes.
• Authors of publication: Manu Manohar, Ezhava; Roy, Soumalya; Li, Xiao-Lei; Tothadi, Srinu; Mok, Jun-Gwi; Tang, Jinkui; Herchel, Radovan; Lee, Junseong; Dey, Atanu; Das, Sourav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10499 - 10510
• a: 12.068 ± 0.003 Å
• b: 14.316 ± 0.003 Å
• c: 13.869 ± 0.003 Å
• α: 90°
• β: 95.056 ± 0.006°
• γ: 90°
• Cell volume: 2386.8 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0457
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No