Information card for entry 4123568

Structure parameters

• Formula: C84.5 H186 Mo18 N7.5 O60 S2
• Calculated formula: C84.5 H186 Mo18 N7.5 O60 S2
• Title of publication: Investigating the formation of "molybdenum blues" with gel electrophoresis and mass spectrometry.
• Authors of publication: Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6524 - 6530
• a: 18.0117 ± 0.0002 Å
• b: 27.284 ± 0.0005 Å
• c: 28.0044 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13762.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No