Information card for entry 4505285

Structure parameters

• Formula: C3 H16 Be3 N2 O12 P4
• Calculated formula: C3 H16 Be3 N2 O12 P4
• Title of publication: The First Organically Templated Beryllium Phosphite [NH3(CH2)3NH3]·Be3(HPO3)4: Hydrothermal Synthesis and X-ray Crystal Structure
• Authors of publication: Fu, Wensheng; Wang, Lei; Shi, Zhan; Li, Guanghua; Chen, Xiaobo; Dai, Zhimin; Yang, Lei; Feng, Shouhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 297
• a: 8.5983 ± 0.0015 Å
• b: 13.1561 ± 0.0019 Å
• c: 13.46 ± 0.002 Å
• α: 90°
• β: 92.47 ± 0.005°
• γ: 90°
• Cell volume: 1521.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No