Information card for entry 7716163

Structure parameters

• Formula: C23 H19 Co2 I2 N5 O2
• Calculated formula: C23 H19 Co2 I2 N5 O2
• SMILES: I[Co]1(I)[O]2[Co]345([N](=Cc6[n]5c(C=[N]3c3ccccc3[O]14)ccc6)c1c2cccc1)([N]#CC)[N]#CC
• 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: 12.8418 ± 0.0007 Å
• b: 14.6125 ± 0.0008 Å
• c: 14.0835 ± 0.0008 Å
• α: 90°
• β: 92.407 ± 0.002°
• γ: 90°
• Cell volume: 2640.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0952
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No