Synthesis, structural characterization and catalytic evaluation of the ring-opening polymerization of discrete five-coordinate alkyl aluminium complexes.
Castro-Osma, Jose A; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Rodríguez, Ana M; Sánchez-Barba, Luis F; García-Martínez, Joaquín C; Dalton transactions (Cambridge, England : 2003) 42 (2013) 9325–9337; doi:10.1039/c3dt32657h

data_7022646
_publ_section_title
;
 Synthesis, structural characterization and catalytic evaluation of the
 ring-opening polymerization of discrete five-coordinate alkyl aluminium
 complexes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9325
_journal_page_last               9337
_journal_paper_doi               10.1039/c3dt32657h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C40 H57 Al N10 O3'
_chemical_formula_sum            'C40 H57 Al N10 O3'
_chemical_formula_weight         752.94
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 112.58(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.826(3)
_cell_length_b                   14.547(4)
_cell_length_c                   16.447(3)
_cell_measurement_reflns_used    175
_cell_measurement_temperature    230(2)
_cell_measurement_theta_max      11.797
_cell_measurement_theta_min      2.343
_cell_volume                     4158.9(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      230(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.2158
_diffrn_reflns_av_sigmaI/netI    0.2810
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8930
_diffrn_reflns_theta_full        22.49
_diffrn_reflns_theta_max         22.49
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  0.9941
_exptl_absorpt_correction_T_min  0.9726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.147
_refine_diff_density_min         -0.162
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.794
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         2705
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.794
_refine_ls_R_factor_all          0.2310
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1382
_refine_ls_wR_factor_ref         0.2233
_reflns_number_gt                827
_reflns_number_total             2705
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32657h.txt
_cod_data_source_block           7
_cod_original_cell_volume        4158.9(15)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7022646