Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone
Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia; Polymer Chemistry 16 (2025) 4745–4754; doi:10.1039/D5PY00481K

data_1576025
_publ_section_title
;
 Bimetallic aluminum complexes bearing \b-pyridyl-enamino ligands:
 synthesis, characterization and their applications in the ring-opening
 polymerization of \e-caprolactone
;
_journal_issue                   43
_journal_name_full               'Polymer Chemistry'
_journal_page_first              4745
_journal_page_last               4754
_journal_paper_doi               10.1039/D5PY00481K
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C40 H44 Al2 N4'
_chemical_formula_weight         634.75
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-04-12 deposited with the CCDC.	2025-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                100.887(3)
_cell_angle_beta                 93.046(3)
_cell_angle_gamma                92.305(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8109(7)
_cell_length_b                   9.2205(7)
_cell_length_c                   22.3313(17)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.243
_cell_measurement_theta_min      3.0615
_cell_volume                     1776.7(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            23009
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.303
_diffrn_reflns_theta_min         3.062
_exptl_absorpt_coefficient_mu    0.115
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_description       block
_exptl_crystal_F_000             676
_refine_diff_density_max         0.464
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         8641
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0230P)^2^+1.8594P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1284
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6203
_reflns_number_total             8641
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5py00481k2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 1576022--1576027.cif.'
_cod_database_code               1576025
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              27101