Information card for entry 1559791

Structure parameters

• Formula: C40 H535 Ce5 Mo122 N20 Na2 O616
• Calculated formula: C35 H48 Ce5 Mo122 N17.5 O507.25
• 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: 38.1062 ± 0.0017 Å
• b: 38.2685 ± 0.0016 Å
• c: 46.9136 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 68413 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No