Information card for entry 2212805

Structure parameters

• Chemical name: catena-poly[hemi(piperazine-1,4-diium) [boron-di-μ-hydrogenphosphato- κ^4^O:O']]
• Formula: C4 H16 B2 N2 O16 P4
• Calculated formula: C4 H16 B2 N2 O16 P4
• SMILES: [P](O)(=O)O[B](O1)(O[P](=O)O)OP(=O)(O)O[B](OP1(O)=O)([O])[O].[NH2+]1CC[NH2+]CC1
• Title of publication: A new non-metal borophosphate with a supramolecular network
• Authors of publication: Min Li; Hui Xu; Zhen-Ling Wang; Heng-Zhen Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1696 - o1698
• a: 7.3433 ± 0.001 Å
• b: 10.1179 ± 0.0013 Å
• c: 10.5228 ± 0.0014 Å
• α: 89.51 ± 0.002°
• β: 84.514 ± 0.002°
• γ: 88.697 ± 0.002°
• Cell volume: 778.03 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No