Information card for entry 7128379

Structure parameters

• Formula: C40 H54 Cl0.99 Co N6 O6.97
• Calculated formula: C40 H54 Cl0.991 Co N6 O6.964
• Title of publication: Valence tautomerism in a [2 ×2] Co₄ grid complex containing a ditopic arylazo ligand.
• Authors of publication: Bonanno, Nico M.; Watts, Zackery; Mauws, Cole; Patrick, Brian O.; Wiebe, Christopher R.; Shibano, Yuki; Sugisaki, Kenji; Matsuoka, Hideto; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Lemaire, Martin T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 50
• Pages of publication: 6213 - 6216
• a: 25.049 ± 0.002 Å
• b: 10.4508 ± 0.0009 Å
• c: 36.994 ± 0.003 Å
• α: 90°
• β: 106.546 ± 0.005°
• γ: 90°
• Cell volume: 9283.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No