Information card for entry 2213814

Structure parameters

• Chemical name: 5,5'-Diamino-2,2'-bipyridin-1,1'-dium bis(5,5'-diamino-2,2'-bipyridin-1-ium) tetrakis(<i>rac</i>-1,1'-binaphthalene-2,2'-diyl phosphate) hexahydrate
• Formula: C110 H94 N12 O22 P4
• Calculated formula: C110 H94 N12 O22 P4
• SMILES: c12c(ccc3ccccc13)OP(=O)(Oc1c2c2c(cc1)cccc2)[O-].[nH+]1c(ccc(N)c1)c1ncc(N)cc1.[nH+]1cc(N)ccc1c1[nH+]cc(N)cc1.O1P(=O)(Oc2c(c3c1ccc1ccccc31)c1c(cc2)cccc1)[O-].O.O.O.c12c(ccc3ccccc13)OP(=O)(Oc1c2c2c(cc1)cccc2)[O-].[nH+]1c(ccc(N)c1)c1ncc(N)cc1.O1P(=O)(Oc2c(c3c1ccc1ccccc31)c1c(cc2)cccc1)[O-].O.O.O
• Title of publication: 5,5'-Diamino-2,2'-bipyridin-1,1'-diium bis(5,5'-diamino-2,2'-bipyridin-1-ium) tetrakis(<i>rac</i>-1,1'-binaphthalene-2,2'-diyl phosphate) hexahydrate: a two-dimensional supramolecular hydrogen-bonded network
• Authors of publication: Wisser, Barbara; Janiak, Christoph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2871 - o2872
• a: 9.7001 ± 0.0016 Å
• b: 14.102 ± 0.002 Å
• c: 18.244 ± 0.003 Å
• α: 82.94 ± 0.011°
• β: 76.232 ± 0.011°
• γ: 85.571 ± 0.01°
• Cell volume: 2402.5 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes