Information card for entry 2232378

Structure parameters

• Chemical name: Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2- dicarboxylatoethyl)amino]ethyl}amino)butanedioate]cobaltate(III)sodium] dihydrate]
• Formula: C20 H40 Co2 N4 Na2 O24
• Calculated formula: C20 H40 Co2 N4 Na2 O24
• SMILES: [Co]12345[NH]([C@H](C(=O)O2)CC(=O)O[Co]2678[NH]([C@H](CC(=O)O5)C(=O)O6)CC[NH]2[C@H](C(=O)O7)CC(=O)O8)CC[NH]1[C@@H](C(=O)O3)CC(=O)O4.[Na+].O.O.O.O.[Na+].O.O.O.O
• Title of publication: Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2-dicarboxylatoethyl)amino]ethyl}amino)butanedioato]cobaltate(III)sodium] dihydrate]
• Authors of publication: Trunova, Olena K.; Dudko, Anatolij V.; Makotryk, Tamara O.; Osadcha, Olena V.; Pekhnyo, Vasily I.; Shovkova, Ganna V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1547 - m1548
• a: 10.0207 ± 0.0002 Å
• b: 15.6475 ± 0.0002 Å
• c: 20.3837 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.14 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes