Information card for entry 7034462

Structure parameters

• Chemical name: [{t-BuC6H4)3CCONH}2C6H3COOH]-3(AcOEt)
• Formula: C83 H108 N2 O10
• Calculated formula: C83 H108 N2 O10
• Title of publication: Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.
• Authors of publication: Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7512 - 7523
• a: 18.9473 ± 0.0008 Å
• b: 13.9306 ± 0.0006 Å
• c: 28.662 ± 0.002 Å
• α: 90°
• β: 96.968 ± 0.007°
• γ: 90°
• Cell volume: 7509.4 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No