Information card for entry 7048574

Structure parameters

• Formula: C128 H172 Mo2 O10
• Calculated formula: C128 H172 Mo2 O10
• Title of publication: Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters
• Authors of publication: Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 17.8943 ± 0.0006 Å
• b: 18.8664 ± 0.0006 Å
• c: 22.3021 ± 0.0008 Å
• α: 69.326 ± 0.003°
• β: 89.921 ± 0.003°
• γ: 64.793 ± 0.003°
• Cell volume: 6274.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No