Information card for entry 2217666

Structure parameters

• Chemical name: Bis(4,4'-bipyridinium) di-μ-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)] octahydrate
• Formula: C34 H46 N6 O22 Sb2
• Calculated formula: C34 H46 N6 O22 Sb2
• SMILES: c12cccc3C(O[Sb]4([n]13)(O)(O)(OC2=O)[OH][Sb]12([n]3c(C(O1)=O)cccc3C(=O)O2)(O)(O)[OH]4)=O.c1cc(c2ccncc2)cc[nH+]1.O.O.O.O.c1cc(c2ccncc2)cc[nH+]1.O.O.O.O
• Title of publication: Bis(4,4'-bipyridinium) di-μ-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)] octahydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Yaghoub Mohammadzadeh Azar Golenji; Attar Gharamaleki, Jafar; Adams, Harry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m387 - m388
• a: 10.0149 ± 0.0011 Å
• b: 10.4826 ± 0.0012 Å
• c: 11.0974 ± 0.0012 Å
• α: 92.816 ± 0.002°
• β: 97.813 ± 0.002°
• γ: 114.046 ± 0.002°
• Cell volume: 1047 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes