Information card for entry 7128380

Structure parameters

• Formula: C128 H168 Co4 N24 O8
• Calculated formula: C128 H168 Co4 N24 O8
• 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: 39.4401 ± 0.0013 Å
• b: 39.4401 ± 0.0013 Å
• c: 10.415 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16200.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No