Information card for entry 4343327

Structure parameters

• Formula: C57 H113 Mo6 N3 O20
• Calculated formula: C57 H113 Mo6 N3 O20
• SMILES: [Mo]1234([O]5678[Mo]9%10(=O)(O[Mo]%117(=O)(O1)O[Mo]18(=O)(O[Mo]6(=O)(O%11)(O[Mo]5(=O)(O%10)(O4)O1)O2)O9)O3)=Nc1c(cc(OC(=O)CCCCCCCCCCCCCCCCC)cc1)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis and Crystallization Behavior of Surfactants with Hexamolybdate as the Polar Headgroup.
• Authors of publication: Zhu, Li; Chen, Kun; Hao, Jian; Wei, Zheyu; Zhang, Haocheng; Yin, Panchao; Wei, Yongge
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6075 - 6077
• a: 11.93 ± 0.002 Å
• b: 12.056 ± 0.002 Å
• c: 28.428 ± 0.006 Å
• α: 78.48 ± 0.03°
• β: 82.98 ± 0.03°
• γ: 62.29 ± 0.03°
• Cell volume: 3544.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No