Information card for entry 7055407

Structure parameters

• Formula: C70 H101 I8 Mo6 N9 O19
• Calculated formula: C70 H99 I8 Mo6 N9 O19
• 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: 10.281 ± 0.0006 Å
• b: 18.6929 ± 0.0013 Å
• c: 24.7011 ± 0.0016 Å
• α: 90.145 ± 0.002°
• β: 99.641 ± 0.002°
• γ: 104.611 ± 0.002°
• Cell volume: 4523.7 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No