Information card for entry 4107402

Structure parameters

• Formula: C102 H225 N9 O62 P2 W18
• Calculated formula: C90.2 H124.4 N9 O62 P2 W18
• Title of publication: Unravelling the Complexities of Polyoxometalates in Solution Using Mass Spectrometry: Protonation versus Heteroatom Inclusion
• Authors of publication: De-Liang Long; Carsten Streb; Yu-Fei Song; Scott Mitchell; Leroy Cronin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1830 - 1832
• a: 26.78 ± 0.004 Å
• b: 15.516 ± 0.002 Å
• c: 19.956 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8292 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No