Information card for entry 4309478

Structure parameters

• Chemical name: 3,3*,4,4*-tetrahydroxy-5,5*-dimethoxybenzaldazine (H4thM)
• Formula: C16 H20 N2 O8
• Calculated formula: C16 H20 N2 O8
• SMILES: COc1c(O)c(cc(/C=N/N=C/c2cc(c(c(c2)OC)O)O)c1)O.O.O
• Title of publication: Binuclear Complexes of Co(III) Containing Extended Conjugated Bis(Catecholate) Ligands
• Authors of publication: Yusaku Suenaga; Cortlandt G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6183 - 6191
• a: 4.9024 ± 0.0006 Å
• b: 8.7363 ± 0.0012 Å
• c: 10.5235 ± 0.0015 Å
• α: 104.66 ± 0.003°
• β: 103.047 ± 0.004°
• γ: 100.868 ± 0.005°
• Cell volume: 410.09 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No