Information card for entry 7238489

Structure parameters

• Formula: C12 H17 N3 O7
• Calculated formula: C12 H17 N3 O7
• Title of publication: Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity
• Authors of publication: Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6998
• a: 6.5078 ± 0.0011 Å
• b: 19.897 ± 0.002 Å
• c: 10.9177 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1413.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No