Information card for entry 1559786

Structure parameters

• Formula: C42 H525 Ce4 Mo126 N21 Na4 O623
• Calculated formula: C39 H44 Ce4 Mo126 N19.8 Na0.3 O525.336
• 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: 32.5994 ± 0.0018 Å
• b: 32.7694 ± 0.0018 Å
• c: 35.206 ± 0.002 Å
• α: 104.753 ± 0.003°
• β: 98.873 ± 0.003°
• γ: 104.933 ± 0.003°
• Cell volume: 34154 ± 3 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: 0.1904
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.3433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No