Information card for entry 7048581

Structure parameters

• Formula: C51 H62.5 Cl2 N3.5 O4 W
• Calculated formula: C51 H62.5 Cl2 N3.5 O4 W
• 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: 26.8222 ± 0.0019 Å
• b: 10.0205 ± 0.0007 Å
• c: 40.384 ± 0.003 Å
• α: 90°
• β: 105.795 ± 0.001°
• γ: 90°
• Cell volume: 10444.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No