Information card for entry 7202942

Structure parameters

• Formula: C15 H28 N3 O13 P3
• Calculated formula: C15 H26 N3 O13 P3
• Title of publication: Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence
• Authors of publication: Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 907
• a: 7.2243 ± 0.0005 Å
• b: 12.3575 ± 0.0008 Å
• c: 13.2057 ± 0.0009 Å
• α: 80.957 ± 0.001°
• β: 89.559 ± 0.001°
• γ: 78.953 ± 0.001°
• Cell volume: 1142.4 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0398
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No