Information card for entry 7022167

Structure parameters

• Formula: C62 H82 Cl4 Cr2 N4 O6
• Calculated formula: C60 H78 Cr2 N4 O6
• SMILES: c12c(cc(cc1C[N]13Cc4cc(cc(c4O[Cr]41(O2)([n]1c(C3)cccc1)[OH][Cr]123([N](Cc5c(c(cc(c5)C)C(C)(C)C)O2)(Cc2cc(cc(c2O3)C(C)(C)C)C)Cc2[n]1cccc2)[OH]4)C(C)(C)C)C)C)C(C)(C)C
• Title of publication: Reaction of CO2 with propylene oxide and styrene oxide catalyzed by a chromium(III) amine-bis(phenolate) complex.
• Authors of publication: Dean, Rebecca K.; Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9233 - 9244
• a: 14.239 ± 0.007 Å
• b: 13.204 ± 0.007 Å
• c: 18.42 ± 0.009 Å
• α: 90°
• β: 95.586 ± 0.006°
• γ: 90°
• Cell volume: 3447 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No