Information card for entry 7217006

Structure parameters

• Formula: C16 H29 I14 K2 Mo6 N5 O3
• Calculated formula: C16 H29 I14 K2 Mo6 N5 O3
• SMILES: [Mo]1234567([Mo]89%10%11%12%13([Mo]%14%15%16%17%18%19([Mo]%20%21%22%231([Mo]28%14([I]4%20)([I]5%10)([I]%12%16)([I]%18%22)I)([Mo]39%15([I]6%11)([I]7%21)([I]%13%17)([I]%19%23)I)I)I)I)I.[K+].[K+].N#CC.N#CC.N#CC.N#CC.N#CC.COCCOCCOC
• Title of publication: Supramolecular assemblies of triblock copolymers with hexanuclear molybdenum clusters for sensing antibiotics in aqueous solutions via energy transfer
• Authors of publication: Elistratova, Julia; Mikhailov, Maxim; Burilov, Vladimir; Babaev, Vasily; Rizvanov, Ildar; Mustafina, Asiya; Abramov, Pavel; Sokolov, Maxim; Konovalov, Alexander; Fedin, Vladimir
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 53
• Pages of publication: 27922
• a: 11.1975 ± 0.0004 Å
• b: 13.062 ± 0.0004 Å
• c: 18.1803 ± 0.0008 Å
• α: 80.332 ± 0.001°
• β: 86.953 ± 0.001°
• γ: 89.764 ± 0.001°
• Cell volume: 2617.58 ± 0.17 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0607
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No