Information card for entry 1564823

Structure parameters

• Formula: C6 H42 N2 Na8 O31 P6
• Calculated formula: C6 H42 N2 Na8 O31 P6
• Title of publication: Kristallicheskaya struktura tetra- i penta natriyevykh soley nitrilo trismetilen fosfonovoy kisloty
• Authors of publication: Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Petrov, V.G.; Shumilova, M.A.
• Journal of publication: Zhurnal neorganicheskoy khimii
• Year of publication: 2018
• Journal issue: 1
• Pages of publication: 46 - 53
• a: 7.1515 ± 0.0002 Å
• b: 11.159 ± 0.0003 Å
• c: 12.0583 ± 0.0003 Å
• α: 92.077 ± 0.002°
• β: 106.145 ± 0.002°
• γ: 95.628 ± 0.002°
• Cell volume: 917.86 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No