Information card for entry 2104288

Structure parameters

• Formula: C21 H32 Er N3 Na3 O23.5
• Calculated formula: C21 H32 Er N3 Na2.997 O23.5
• Title of publication: Crystallochemical formula as a tool for describing metal‒ligand complexes ‒ a pyridine-2,6-dicarboxylate example
• Authors of publication: Serezhkin, Viktor N.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Smirnova, Ekaterina S.; Grachova, Elena V.; Ostrova, Polina V.; Antipin, Mikhail Yu.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: 45 - 53
• a: 9.6488 ± 0.0008 Å
• b: 18.9547 ± 0.0015 Å
• c: 17.8915 ± 0.0014 Å
• α: 90°
• β: 91.735 ± 0.001°
• γ: 90°
• Cell volume: 3270.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes