Information card for entry 7048578

Structure parameters

• Formula: C64 H94 N2 O5 W
• Calculated formula: C64 H94 N2 O5 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: 12.2064 ± 0.0001 Å
• b: 18.6584 ± 0.0001 Å
• c: 27.3246 ± 0.0002 Å
• α: 90°
• β: 91.99 ± 0.001°
• γ: 90°
• Cell volume: 6219.48 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0581
• 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