Information card for entry 7034467

Structure parameters

• Chemical name: [{(t-BuC6H4)3CCONHC6H4COO}2Mg(EtOH)4]-5(EtOH)
• Formula: C96 H142 Mg N2 O15
• Calculated formula: C96 H140 Mg N2 O15
• 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: 14.5903 ± 0.0005 Å
• b: 27.0129 ± 0.0009 Å
• c: 25.7904 ± 0.0017 Å
• α: 90°
• β: 112.681 ± 0.007°
• γ: 90°
• Cell volume: 9378.6 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No