Information card for entry 7229369

Structure parameters

• Formula: C20 H31.6 Mg N2 O12.8
• Calculated formula: C20 H31.6 Mg N2 O12.8
• Title of publication: Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid
• Authors of publication: Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 13.6558 ± 0.0019 Å
• b: 15.903 ± 0.003 Å
• c: 16.6894 ± 0.001 Å
• α: 94.295 ± 0.011°
• β: 113.23 ± 0.01°
• γ: 110.377 ± 0.011°
• Cell volume: 3025.9 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1777
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No