Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate amidinate ligands: synthesis, structure, and catalytic activity in the ring-opening polymerization of rac-lactide and ε-caprolactone
Rad’kova, Natalia Yu.; Kovylina, Tatyana A.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Trifonov, Alexander A.; New Journal of Chemistry 44 (2020) 7811–7822; doi:10.1039/D0NJ00042F

data_7059497
_publ_section_title
;
 Amido rare-earth(iii) and Ca(ii) complexes coordinated by tridentate
 amidinate ligands: synthesis, structure, and catalytic activity in the
 ring-opening polymerization of rac-lactide and \e-caprolactone
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7811
_journal_page_last               7822
_journal_paper_doi               10.1039/D0NJ00042F
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C20 H26 N2 O'
_chemical_formula_sum            'C20 H26 N2 O'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-31 deposited with the CCDC.	2020-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.23
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_computing_structure_refinement  'SHELXL 2018/3'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex (CCD)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -10
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_exptl_crystal_description       prism
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         4499
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0507
_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^)+(0.0693P)^2^+0.4435P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1366
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3637
_reflns_number_total             4499
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00042f2.cif
_cod_data_source_block           1-am
_cod_depositor_comments
;Adding full bibliography for 7059497--7059500.cif.

 Adding full bibliography for 7059497--7059500.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059497
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.971
_shelx_estimated_absorpt_t_max   0.980
_shelx_res_checksum              88648