Information card for entry 7057086

Structure parameters

• Formula: C27 H33 N11 Ni2 O41 P W12
• Calculated formula: C27 H33 N11 Ni2 O41 P W12
• Title of publication: A HPLC-ICP-AES technique for the screening of [XW11NbO40]n− aqueous solutions
• Authors of publication: Shmakova, Alexandra A.; Akhmetova, Maria M.; Volchek, Victoria V.; Romanova, Tamara E.; Korolkov, Ilya; Sheven, Dmitri G.; Adonin, Sergey A.; Abramov, Pavel A.; Sokolov, Maxim N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7940
• a: 12.6148 ± 0.0008 Å
• b: 14.6506 ± 0.0007 Å
• c: 19.8436 ± 0.0012 Å
• α: 90°
• β: 105.19 ± 0.006°
• γ: 90°
• Cell volume: 3539.3 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No