Information card for entry 8107592

Structure parameters

• Formula: C22 H18 Mg N4 O6
• Calculated formula: C22 H18 Mg N4 O6
• SMILES: [Mg]1234(OC(=O)c5[n]2c(c2[n]1cccc2)ccc5)OC(=O)c1[n]4c(c2[n]3cccc2)ccc1.O.O
• Title of publication: The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ 3 N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
• Authors of publication: Xi-Shi, Tai; Hong-Chang, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 887 - 889
• a: 15.3055 ± 0.0002 Å
• b: 15.1214 ± 0.0002 Å
• c: 18.1048 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4190.19 ± 0.09 ų
• Cell temperature: 296.72 ± 0.1 K
• Ambient diffraction temperature: 296.72 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No