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_1576023
_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            'C36 H36 Al2 N4'
_chemical_formula_weight         578.65
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 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                90
_cell_angle_beta                 90.087(2)
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_cell_length_b                   16.3532(10)
_cell_length_c                   13.8506(9)
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.2705
_cell_measurement_theta_min      3.178
_cell_volume                     1578.28(17)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_number            15342
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.289
_diffrn_reflns_theta_min         3.178
_exptl_absorpt_coefficient_mu    0.123
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         3903
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_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0414
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0384P)^2^+0.7107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0966
_refine_ls_wR_factor_ref         0.1039
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3229
_reflns_number_total             3903
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5py00481k2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 1576022--1576027.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1576023
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.976
_shelx_estimated_absorpt_t_max   0.982
_shelx_res_checksum              42895