Information card for entry 2016652

Structure parameters

• Chemical name: poly[[μ-aqua-diaqua(μ~5~-propane-1,3- diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]
• Formula: C11 H24 Co Li2 N2 O13
• Calculated formula: C11 H24 Co Li2 N2 O13
• SMILES: C1C(O[Co]2345[N]1(CC(=O)O3)CCC[N]4(CC(=O)O2)CC(=O)O5)=O.[Li+].[Li+].O.O.O.O.O
• Title of publication: Coordination behaviour and two-dimensional-network formation in poly[[μ-aqua-diaqua(μ~5~-propane-1,3-diyldinitrilotetraacetato)dilithium(I)cobalt(II)] dihydrate]: the first example of an <i>M</i>^II^‒1,3-pdta complex with a monovalent metal counter-ion
• Authors of publication: Rychlewska, Urszula; Warżajtis, Beata; Djuran, Miloš I.; Radanović, Dušanka D.; Dimitrijević, Mirjana Dj.; Rajković, Snežana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m217 - m220
• a: 7.8767 ± 0.0004 Å
• b: 12.7381 ± 0.0006 Å
• c: 9.344 ± 0.0004 Å
• α: 90°
• β: 90.756 ± 0.004°
• γ: 90°
• Cell volume: 937.44 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes