Enhanced Asymmetric Induction for the Copolymerization of CO2 and Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes: Synthesis of Crystalline CO2-Based Polycarbonate
Guang-Peng Wu; Wei-Min Ren; Yi Luo; Bo Li; Wen-Zhen Zhang; Xiao-Bing Lu; Journal of the American Chemical Society 134 (2012) 5682–5688; doi:10.1021/ja300667y

data_4117741
_publ_section_title
;
 Enhanced Asymmetric Induction for the Copolymerization of CO2 and
 Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes:
 Synthesis of Crystalline CO2-Based Polycarbonate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5682
_journal_page_last               5688
_journal_paper_doi               10.1021/ja300667y
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C118 H154 Al2 N4 O6'
_chemical_formula_weight         1778.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.969(2)
_cell_angle_beta                 107.717(2)
_cell_angle_gamma                113.463(2)
_cell_formula_units_Z            1
_cell_length_a                   12.4388(12)
_cell_length_b                   15.4493(15)
_cell_length_c                   15.9632(15)
_cell_measurement_reflns_used    13611
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.48
_cell_volume                     2603.7(4)
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0820
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13611
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.988
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         9040
_refine_ls_number_restraints     459
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.1448
_refine_ls_R_factor_gt           0.0859
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1396P)^2^+1.0043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2226
_refine_ls_wR_factor_ref         0.2687
_reflns_number_gt                5167
_reflns_number_total             9040
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja300667y_si_002.cif
_cod_data_source_block           3
_cod_database_code               4117741