Information card for entry 1554182

Structure parameters

• Formula: C36 H57 Cl4 Cr N2 O2
• Calculated formula: C36 H57 Cl4 Cr N2 O2
• SMILES: C1c2cc(cc(c2O[Cr]23([N]41CC[N]2(Cc1c([OH]3)c(cc(c1)C(C)(C)C)C(C)(C)C)CCC4)(Cl)Cl)C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Chromium Amino-bis(phenolate) Complexes as Catalysts for Ring-Opening Polymerization of Cyclohexene Oxide
• Authors of publication: Ambrose, Kenson; Murphy, Jennifer N.; Kozak, Christopher M.
• Journal of publication: Macromolecules
• Year of publication: 2019
• Journal volume: 52
• Journal issue: 19
• Pages of publication: 7403
• a: 18.5813 ± 0.0004 Å
• b: 10.9133 ± 0.0002 Å
• c: 20.917 ± 0.0004 Å
• α: 90°
• β: 105.725 ± 0.002°
• γ: 90°
• Cell volume: 4082.87 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No