Information card for entry 1564828

Structure parameters

• Formula: C6 H56 N2 Na8 O46 P6 Tb
• Calculated formula: C6 H56 N2 Na8 O45.996 P6 Tb
• Title of publication: Bis-hexaaquasodium Decaaqua-monohydrogen-hexasodiumterbium(III)-bis-(nitrilo-tris-methylenephosphonate) Hexahydrate [TbNa6H(H2O)10{N(CH2PO3)3}2] [Na(H2O)6]2 6H2O
• Authors of publication: Somov, N.V.; Zakirova, R.M.; Shumilova, M.A.; Petrov, V.G.; Zhirov, D.K.
• Journal of publication: Crystallography Reports
• Year of publication: 2018
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 901 - 908
• a: 11.9278 ± 0.0002 Å
• b: 10.5456 ± 0.0001 Å
• c: 19.9364 ± 0.0003 Å
• α: 90°
• β: 94.787 ± 0.001°
• γ: 90°
• Cell volume: 2498.97 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No