Information card for entry 2004972

Structure parameters

• Common name: Spermine dilithium cyclohexaphosphate tetrahydrate
• Chemical name: 4,9,12-triazoniadoceylammonium Dilithiumcyclohexaphosphate Tetrahydrate
• Formula: C10 H38 Li2 N4 O22 P6
• Calculated formula: C10 H38 Li2 N4 O22 P6
• SMILES: C([NH2+]CCC[NH3+])CCC[NH2+]CCC[NH3+].[O-]P1(=O)OP([O-])(=[O][Li]2([OH2])[OH2])OP(=O)(O2)OP(=O)([O-])OP([O-])(=[O][Li]2([OH2])[OH2])OP(=O)(O1)O2
• Title of publication: 4,9-Diazonia-1,12-dodecanediammonium Dilithium <i>cyclo</i>-Hexaphosphate Tetrahydrate
• Authors of publication: Gharbi, A.; Jouini, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1342 - 1344
• a: 21.04 ± 0.002 Å
• b: 7.936 ± 0.002 Å
• c: 20.444 ± 0.002 Å
• α: 90°
• β: 116.44 ± 0.01°
• γ: 90°
• Cell volume: 3056.5 ± 0.9 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: 0.0479
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.0948
• Goodness-of-fit parameter for all reflections: 0.906
• Goodness-of-fit parameter for significantly intense reflections: 0.881
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No