Information card for entry 7218487

Structure parameters

• Formula: C26 H30 N10 O8
• Calculated formula: C26 H30 N10 O8
• Title of publication: Biguanide and squaric acid as pH-dependent building blocks in crystal engineering
• Authors of publication: Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 10631
• a: 11.7133 ± 0.0007 Å
• b: 12.8357 ± 0.0007 Å
• c: 19.3224 ± 0.0011 Å
• α: 90°
• β: 90.355 ± 0.001°
• γ: 90°
• Cell volume: 2905 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No