Neutral and Cationic Aluminum Complexes Supported by Acetamidate and Thioacetamidate Heteroscorpionate Ligands as Initiators for Ring-Opening Polymerization of Cyclic Esters
Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Castro-Osma, Jose A.; Márquez-Segovia, I.; Sánchez-Barba, Luis F.; Rodríguez, Ana M.; Garcia-Martinez, Joaquin C.; Organometallics 30 (2011) 1507–; doi:10.1021/om1010676

data_4063972
_publ_section_title
;
 Neutral and Cationic Aluminum Complexes Supported by Acetamidate and
 Thioacetamidate Heteroscorpionate Ligands as Initiators for Ring-Opening
 Polymerization of Cyclic Esters
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1507
_journal_paper_doi               10.1021/om1010676
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C20 H26 Al N5 S'
_chemical_formula_weight         395.50
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.590(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.197(3)
_cell_length_b                   16.868(4)
_cell_length_c                   19.520(5)
_cell_measurement_temperature    180(2)
_cell_volume                     4345.1(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega and phi scans'
_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  0.1269
_diffrn_reflns_av_sigmaI/netI    0.1534
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13556
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.203
_exptl_absorpt_correction_T_max  0.9760
_exptl_absorpt_correction_T_min  0.9359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.358
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         5241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1669
_refine_ls_R_factor_gt           0.0859
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1128P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1853
_refine_ls_wR_factor_ref         0.2105
_reflns_number_gt                1896
_reflns_number_total             5241
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1010676_si_001.cif
_cod_data_source_block           1
_cod_original_cell_volume        4345.0(18)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4063972