Information card for entry 1559787

Structure parameters

• Formula: C36 H521 Ce4 Mo124 N16 Na3 O616
• Calculated formula: C36 H60 Ce4 Mo124 N16 O512.6
• Title of publication: Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.
• Authors of publication: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2427 - 2432
• a: 34.8531 ± 0.0017 Å
• b: 45.172 ± 0.002 Å
• c: 20.9243 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32943 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No