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_1576027
_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
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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                105.266(4)
_cell_angle_beta                 96.587(4)
_cell_angle_gamma                90.018(4)
_cell_formula_units_Z            6
_cell_length_a                   11.2674(12)
_cell_length_b                   17.0489(18)
_cell_length_c                   26.606(3)
_cell_measurement_reflns_used    9637
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.122
_cell_measurement_theta_min      2.957
_cell_volume                     4895.6(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.970
_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  0.0867
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            114838
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_min         2.957
_exptl_absorpt_coefficient_mu    0.119
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1836
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.318
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1148
_refine_ls_number_reflns         17299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0937
_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^)+(0.1954P)^2^+8.9488P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2696
_refine_ls_wR_factor_ref         0.2959
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14110
_reflns_number_total             17299
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5py00481k2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 1576022--1576027.cif.'
_cod_original_cell_volume        4895.5(9)
_cod_database_code               1576027
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.986
_shelx_res_checksum              85387
_olex2_submission_special_instructions 'No special instructions were received'