Information card for entry 2237978

Structure parameters

• Chemical name: Poly[bis(piperazine-1,4-diium) [(μ~4~-<i>cyclo</i>-hexaphosphato)dilithium] tetrahydrate]
• Formula: C8 H32 Li2 N4 O22 P6
• Calculated formula: C8 H32 Li2 N4 O22 P6
• SMILES: C1[NH2+]CC[NH2+]C1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].O.O.C1C[NH2+]CC[NH2+]1.[Li+].[Li+].O.O
• Title of publication: Poly[bis(piperazine-1,4-diium) [(μ~4~-<i>cyclo</i>-hexaphosphato)dilithium] tetrahydrate]
• Authors of publication: Ameur, Iness; Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m305 - m306
• a: 10.245 ± 0.003 Å
• b: 12.966 ± 0.004 Å
• c: 10.91 ± 0.004 Å
• α: 90°
• β: 111 ± 0.03°
• γ: 90°
• Cell volume: 1353 ± 0.8 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: 0.1142
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes