Information card for entry 4330123

Structure parameters

• Formula: C87 H115 Cl2 Cr2 N4 O4
• Calculated formula: C84 H112 Cl2 Cr2 N4 O4
• SMILES: c12c(C(C)(C)C)cc(C(C)(C)C)cc2C[N]23Cc4[n](cccc4)[Cr]42(O1)([Cl][Cr]125([N](Cc6c(c(C(C)(C)C)cc(C(C)(C)C)c6)O2)(Cc2[n]1cccc2)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O5)[Cl]4)Oc1c(C3)cc(C(C)(C)C)cc1C(C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Copolymerization of Cyclohexene Oxide and CO2 with a Chromium Diamine-bis(phenolate) Catalyst
• Authors of publication: Rebecca K. Dean; Louise N. Dawe; Christopher M. Kozak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9095 - 9103
• a: 15.3979 ± 0.0012 Å
• b: 13.4522 ± 0.001 Å
• c: 21.3183 ± 0.0017 Å
• α: 90°
• β: 109.02 ± 0.002°
• γ: 90°
• Cell volume: 4174.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No