Information card for entry 1559789

Structure parameters

• Formula: C48 H535 Ce4 Mo126 N24 Na3 O626
• Calculated formula: C43.2 H45.6 Ce3.8 Mo125.834 N21 Na0.85 O515.35
• 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: 32.444 ± 0.003 Å
• b: 32.749 ± 0.004 Å
• c: 35.233 ± 0.004 Å
• α: 104.665 ± 0.006°
• β: 98.814 ± 0.006°
• γ: 104.742 ± 0.006°
• Cell volume: 34063 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No