Information card for entry 7055408

Structure parameters

• Formula: C80 H114 I8 Mo6 N14 O33
• Calculated formula: C80 H114 I8 Mo6 N14 O33
• Title of publication: Complexes of {Mo6I8} with nitrophenolates: synthesis and luminescence
• Authors of publication: Mikhailov, Maksim A.; Brylev, Konstantin A.; Virovets, Alexandr V.; Gallyamov, Marsel R.; Novozhilov, Igor; Sokolov, Maxim N.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 1162
• a: 40.5 ± 0.005 Å
• b: 10.2557 ± 0.0013 Å
• c: 32.799 ± 0.005 Å
• α: 90°
• β: 123.367 ± 0.007°
• γ: 90°
• Cell volume: 11378 ± 3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No