Information card for entry 4123567

Structure parameters

• Formula: C112 H178 Mo18 N9 Na O67 P4 S2
• Calculated formula: C112 H178 Mo18 N9 Na O67 P4 S2
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12%13(=O)[O]%14[Mo]%15%16(=O)([O]%17[Mo]%18%19(O[Mo]%20(O6)([O]%11%19S(=[O]58)[O]5[Mo]68(O[Mo]%11%19%21(O[Mo]%22%23(=O)([O]=P(c%24ccccc%24)(O%21)[O]%21[Mo]%24([O]%25[Mo]%26([O](P%14(=[O]9)c9ccccc9)[Na]%21%25([O]%26P%17(=[O]6)c6ccccc6)[O]%24P6(c9ccccc9)=[O][Mo](O3)(O%10)(=O)O[Mo](O[Mo](O4)(O[Mo](O2)(O[Mo]5(=O)(O7)(O8)O%20)(O%11)=O)(O%22)=O)(O6)(=O)O%23)(O%15)(=O)=O)(O[Mo](=O)=O)(=O)=O)[O]=S(O1)O%19)=O)(=O)O%18)(O%12)=O)(=O)[O]%13%16)=O)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(#N)C.C(#N)C.C(#N)C.C(#N)C
• 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: 33.2 ± 0.02 Å
• b: 17.635 ± 0.01 Å
• c: 32.189 ± 0.02 Å
• α: 90 ± 0.0014°
• β: 115.319 ± 0.0018°
• γ: 90 ± 0.0014°
• Cell volume: 17036 ± 18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No