Information card for entry 4517879

Structure parameters

• Formula: C75 H109.5 Cl Cr2 N5.5 O5
• Calculated formula: C74 H108 Cl Cr2 N5 O5
• Title of publication: Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst
• Authors of publication: Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 8960 - 8967
• a: 17.0512 ± 0.0008 Å
• b: 20.0506 ± 0.0009 Å
• c: 22.7296 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7770.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No