Information card for entry 7006338

Structure parameters

• Common name: CMC077A
• Chemical name: LCo2Cl3OEt
• Formula: C21 H40 Cl2 Co2 N4 O2
• Calculated formula: C21 H40 Cl2 Co2 N4 O2
• SMILES: [Co]123(Cl)[O]4[Co]5(Cl)([O]1CC)[N](Cc1cc(cc(c41)C[N]2(C)CC[N]3(C)C)C)(C)CC[N]5(C)C
• Title of publication: Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.
• Authors of publication: Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 928 - 936
• a: 14.0961 ± 0.0015 Å
• b: 11.4544 ± 0.0014 Å
• c: 16.2755 ± 0.0015 Å
• α: 90°
• β: 106.145 ± 0.005°
• γ: 90°
• Cell volume: 2524.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 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: 0.029
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.55 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No