Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs
Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng; Catal. Sci. Technol. 6 (2016) 7763–; doi:10.1039/C6CY01587E

data_1544135
_publ_section_title
;
 Insights into the mechanism for ring-opening polymerization of lactide
 catalyzed by Zn(C6F5)2/organic superbase Lewis pairs
;
_journal_issue                   21
_journal_name_full               'Catal. Sci. Technol.'
_journal_page_first              7763
_journal_paper_doi               10.1039/C6CY01587E
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C26 H20 F10 N4 Zn'
_chemical_formula_weight         643.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-07-21 deposited with the CCDC.
2016-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 125.106(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.2298(13)
_cell_length_b                   7.6667(8)
_cell_length_c                   17.9898(14)
_cell_measurement_reflns_used    2705
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      24.461
_cell_measurement_theta_min      2.306
_cell_volume                     1379.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_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  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0311
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8307
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  0.8669
_exptl_absorpt_correction_T_min  0.7253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         2726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+0.5031P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0900
_reflns_number_gt                2298
_reflns_number_total             2726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cy01587e2.cif
_cod_data_source_block           binw2
_cod_depositor_comments          'Adding full bibliography for 1544135.cif.'
_cod_original_sg_symbol_H-M      P2/C
_cod_database_code               1544135