Information card for entry 2008767

Structure parameters

• Common name: Sodium nitrilotriacetatomagnesium pentahydrate
• Chemical name: Sodium nitriloacetatomagnesate(1-) pentahydrate
• Formula: C6 H16 Mg N Na O11
• Calculated formula: C6 H16 Mg N Na O11
• SMILES: [Mg]123([OH2])OC(=O)C[N]3(CC(=O)O1)CC([O]2[Na]1([OH2])[OH2])=[O]2[Mg]345([OH2])[O]1C(=O)C[N]3(CC(=O)O4)CC([O]5[Na]2([OH2])[OH2])=O.O.O.O.O
• Title of publication: Sodium (nitrilotriacetato)magnesate pentahydrate
• Authors of publication: Kaneyoshi, Masami; Bond, Andrew; Jones, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1260 - 1262
• a: 14.623 ± 0.007 Å
• b: 9.729 ± 0.005 Å
• c: 19.228 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2736 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No