Information card for entry 7040522

Structure parameters

• Formula: C79.5 H129 Br8 Mo6 N2 O20.5 S6
• Calculated formula: C79.5 H126.97 Br8 Mo6 N2 O20.49 S6
• Title of publication: Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.
• Authors of publication: Efremova, Olga A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Vorotnikova, Natalya A.; Novozhilov, Igor N.; Kuratieva, Natalia V.; Edeleva, Mariya V.; Benoit, David M.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.; Sutherland, Andrew J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15427
• a: 13.1689 ± 0.0012 Å
• b: 16.0893 ± 0.0015 Å
• c: 26.593 ± 0.003 Å
• α: 89.503 ± 0.003°
• β: 80.255 ± 0.003°
• γ: 77.328 ± 0.003°
• Cell volume: 5415.5 ± 0.9 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: 0.1009
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No