Information card for entry 1564822

Structure parameters

• Formula: C3 H23 Ba2 N Na O17 P3
• Calculated formula: C3 H23 Ba2 N Na O17 P3
• Title of publication: Synthesis and Structure of Heptaaqua{nitrilotris(methylenephosphonato)}(dibarium)sodium Monohydrate [Na(H2O)3{6-NH(CH2PO3)3}(-H2O)3Ba2(H2O)] H2O
• Authors of publication: Somov, N.V.; Chausov, F.F.; Zakirova, R.M.
• Journal of publication: Crystallography Reports
• Year of publication: 2017
• Journal volume: 62
• Journal issue: 2
• Pages of publication: 232 - 237
• a: 13.9117 ± 0.001 Å
• b: 11.5403 ± 0.0001 Å
• c: 24.1784 ± 0.0017 Å
• α: 90°
• β: 148.785 ± 0.018°
• γ: 90°
• Cell volume: 2011.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No