Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone
Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua; RSC Advances 11 (2021) 13274–13281; doi:10.1039/D1RA01288F

data_7242623
_publ_section_title
;
 Bimetallic aluminum complexes bearing novel
 spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization
 and the ring-opening polymerization of \e-caprolactone
;
_journal_issue                   22
_journal_name_full               'RSC Advances'
_journal_page_first              13274
_journal_page_last               13281
_journal_paper_doi               10.1039/D1RA01288F
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C54 H60 Al2 N2 O2'
_chemical_formula_weight         823.00
_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   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2021-02-13 deposited with the CCDC.	2021-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                94.56(3)
_cell_angle_beta                 104.52(3)
_cell_angle_gamma                107.73(3)
_cell_formula_units_Z            1
_cell_length_a                   8.9047(18)
_cell_length_b                   11.867(2)
_cell_length_c                   13.494(3)
_cell_measurement_reflns_used    4711
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4693
_cell_measurement_theta_min      1.5817
_cell_volume                     1295.9(6)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       '\w scans at fixed \c = 45\%'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_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            16970
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.447
_diffrn_reflns_theta_min         1.582
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8084
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.055
_exptl_crystal_description       Prism
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.318
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5922
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0504
_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^)+(0.0500P)^2^+0.5364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1261
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5024
_reflns_number_total             5922
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra01288f2.cif
_cod_data_source_block           Al1
_cod_original_cell_volume        1295.9(5)
_cod_database_code               7242623
_shelx_estimated_absorpt_t_min   0.979
_shelx_estimated_absorpt_t_max   0.986
_shelxl_version_number           2014-3
_shelx_res_checksum              21479
_platon_squeeze_void_probe_radius 1.20