Information card for entry 2227285

Structure parameters

• Chemical name: Bis(piperazine-1,4-diium) cyclotetraphosphate‒telluric acid (1/2)
• Formula: C10 H40 N4 O24 P4 Te2
• Calculated formula: C10 H40 N4 O24 P4 Te2
• SMILES: C1CC[NH2+]CC[NH2+]1.O[Te](O)(O)(O)(O)O.O1P(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP1(=O)[O-].C1CC[NH2+]CC[NH2+]1.O[Te](O)(O)(O)(O)O
• Title of publication: Bis(homopiperazine-1,4-diium) cyclotetraphosphate‒telluric acid (1/2)
• Authors of publication: Hemissi, Hanène; Rzaigui, Mohammed; Al-Deyab, Salem S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2712
• a: 20.826 ± 0.003 Å
• b: 8.36 ± 0.0013 Å
• c: 17.03 ± 0.008 Å
• α: 90°
• β: 101.65 ± 0.03°
• γ: 90°
• Cell volume: 2903.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes