Information card for entry 7043928

Structure parameters

• Formula: C83 H135 I8 N2 O20.5 S6 W6
• Calculated formula: C83 H134.997 I8 N2 O20.5 S6 W6
• Title of publication: Comparative Study of Optical Properties and X-ray Induced Luminescence of Octahedral Molybdenum and Tungsten Cluster Complexes
• Authors of publication: Evtushok, Darya V.; Melnikov, Anatoly; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Ryadun, Alexey A.; Kuratieva, Natalia; Kozyr, Konstantin V.; Obedinskaya, Natalia R.; Kretov, Evgeniy I.; Novozhilov, Igor; Mironov, Yuri V.; Stass, Dmitri; Efremova, Olga A.; Shestopalov, Michael A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.4118 ± 0.0015 Å
• b: 16.21 ± 0.0018 Å
• c: 27.147 ± 0.003 Å
• α: 89.271 ± 0.003°
• β: 79.227 ± 0.003°
• γ: 77.959 ± 0.003°
• Cell volume: 5668.2 ± 1.1 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: 0.0505
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No