Information card for entry 1564819

Structure parameters

• Formula: C3 H15 Li N O11 P3
• Calculated formula: C3 H15 Li N O11 P3
• Title of publication: Aqua{pentahydrogennitrilotris(methylenephosphonato)}lithium Hydrate [Li(H2O){N(CH2PO3)3H5}] H2O: Synthesis and Structure
• Authors of publication: Somov, N.V.; Chausov, F.F.; Zakirova, R.M.
• Journal of publication: Crystallography Reports
• Year of publication: 2016
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 395 - 400
• a: 5.5732 ± 0.0002 Å
• b: 7.0106 ± 0.0002 Å
• c: 16.901 ± 0.0005 Å
• α: 97.515 ± 0.002°
• β: 94.551 ± 0.002°
• γ: 95.123 ± 0.002°
• Cell volume: 649.28 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No