Catalytic performance of tridentate versus bidentate Co(ii) complexes supported by Schiff base ligands in vinyl addition polymerization of norbornene
Kim, Kyeonghun; Nayab, Saira; Cho, Yerim; Jung, Hyewon; Yeo, Hyeonuk; Lee, Hyosun; Lee, Sang-Ho; RSC Advances 12 (2022) 35896–35904; doi:10.1039/D2RA07241F

data_7246031
_publ_section_title
;
 Catalytic performance of tridentate versus bidentate Co(ii) complexes
 supported by Schiff base ligands in vinyl addition polymerization of
 norbornene
;
_journal_issue                   55
_journal_name_full               'RSC Advances'
_journal_page_first              35896
_journal_page_last               35904
_journal_paper_doi               10.1039/D2RA07241F
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'C9 H14 Cl2 Co N2 S'
_chemical_formula_weight         312.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-09-10 deposited with the CCDC.	2022-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.05(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7710(19)
_cell_length_b                   11.046(2)
_cell_length_c                   12.622(3)
_cell_measurement_reflns_used    37645
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      33.548
_cell_measurement_theta_min      0.361
_cell_volume                     1295.3(5)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_refinement  SHELXL
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0801
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20842
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         33.447
_diffrn_reflns_theta_min         1.943
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.953
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_description       block
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.034
_exptl_crystal_size_mid          0.029
_exptl_crystal_size_min          0.018
_refine_diff_density_max         1.763
_refine_diff_density_min         -1.781
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         6206
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1265P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2109
_refine_ls_wR_factor_ref         0.2252
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4260
_reflns_number_total             6206
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ra07241f2.cif
_cod_data_source_block           P-1CoCl_a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7246031
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.956
_shelx_estimated_absorpt_t_max   0.977
_shelx_res_checksum              45288