Copolymerization of ε-Caprolactone andl-Lactide Catalyzed by Multinuclear Aluminum Complexes: An Immortal Approach
Li, Lei; Liu, Bo; Liu, Dongtao; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei; Organometallics 33 (2014) 6474–; doi:10.1021/om5008264

data_4084563
_publ_section_title
;
 Copolymerization of \e-Caprolactone andl-Lactide Catalyzed by
 Multinuclear Aluminum Complexes: An Immortal Approach
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6474
_journal_paper_doi               10.1021/om5008264
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C103 H138 Al4 N4 O4'
_chemical_formula_weight         1604.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                89.936(2)
_cell_angle_beta                 66.444(2)
_cell_angle_gamma                67.246(2)
_cell_formula_units_Z            2
_cell_length_a                   16.5145(15)
_cell_length_b                   18.6726(18)
_cell_length_c                   19.0718(17)
_cell_measurement_temperature    198(2)
_cell_volume                     4888.9(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0587
_diffrn_reflns_av_sigmaI/netI    0.1570
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24959
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  0.9941
_exptl_absorpt_correction_T_min  0.9874
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.101
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     897
_refine_ls_number_reflns         17045
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.2116
_refine_ls_R_factor_gt           0.1164
_refine_ls_shift/su_max          0.212
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1465P)^2^+8.2130P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2753
_refine_ls_wR_factor_ref         0.3415
_reflns_number_gt                8111
_reflns_number_total             17045
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5008264_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 4084562--4084564.cif.'
_cod_database_code               4084563