Information card for entry 2022596

Structure parameters

• Formula: C24 H588 Ce6 Mo124 N4 Na4 O664
• Calculated formula: C24 H16 Ce6 Mo124 N4 Na4 O501
• Title of publication: Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O
• Authors of publication: Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 5
• a: 54.272 ± 0.01 Å
• b: 38.896 ± 0.007 Å
• c: 31.734 ± 0.006 Å
• α: 90°
• β: 112.145 ± 0.004°
• γ: 90°
• Cell volume: 62048 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes