Information card for entry 1564820

Structure parameters

• Formula: C3 H11 K N O9 P3
• Calculated formula: C3 H11 K N O9 P3
• Title of publication: Nitrilotris(methylenephosphonato)potassium K[6-NH(CH2PO3)3H4]: Synthesis, Structure, and the Nature of the KO Chemical Bond
• 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: 4
• Pages of publication: 606 - 610
• a: 6.2553 ± 0.0003 Å
• b: 8.3041 ± 0.0005 Å
• c: 11.4036 ± 0.0005 Å
• α: 85.396 ± 0.004°
• β: 89.884 ± 0.004°
• γ: 73.999 ± 0.004°
• Cell volume: 567.44 ± 0.05 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: 0.0238
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No