N-donor Stabilized Tin(II) Cations as Efficient ROP Catalysts for Synthesis of Linear and Star-Shaped PLAs via Activated Monomer Mechanism
Jambor, Roman; Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Ruzickova, Zdenka; Podzimek, Stepan; Dalton Transactions  (2021) –; doi:10.1039/D1DT02658E

data_7708494
_publ_section_title
;
 N-donor Stabilized Tin(II) Cations as Efficient ROP Catalysts for
 Synthesis of Linear and Star-Shaped PLAs via Activated Monomer Mechanism
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02658E
_journal_year                    2021
_chemical_formula_sum            'C14 H14 Cl4 N4 Sn2'
_chemical_formula_weight         617.47
_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-2017/1
_audit_update_record
;
2021-04-17 deposited with the CCDC.	2021-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                115.173(2)
_cell_angle_beta                 95.224(2)
_cell_angle_gamma                106.201(2)
_cell_formula_units_Z            4
_cell_length_a                   9.5798(3)
_cell_length_b                   15.3141(5)
_cell_length_c                   15.8858(6)
_cell_measurement_reflns_used    66961
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1965.59(13)
_computing_cell_refinement       'APEX3 v2016.9-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1235
_diffrn_reflns_av_unetI/netI     0.0626
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            66961
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.590
_diffrn_reflns_theta_min         2.268
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.089
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.087
_exptl_crystal_description       plate
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.423
_exptl_crystal_size_mid          0.276
_exptl_crystal_size_min          0.072
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         9078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0337
_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^)+(0.0159P)^2^+0.5908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0496
_refine_ls_wR_factor_ref         0.0565
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6655
_reflns_number_total             9078
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02658e6.cif
_cod_data_source_block           rj200526Sn8_7
_cod_original_cell_volume        1965.58(12)
_cod_database_code               7708494
_shelx_shelxl_version_number     2017/1
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.584
;
_shelx_res_checksum              24962
_shelx_hkl_checksum              90006