One-pot terpolymerization of CHO, CO2 and L-lactide using chloride indium catalysts
Lara, Agustin; Martínez de Sarasa Buchaca, Marc; de la Cruz-Martínez, Felipe; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Tejeda, Juan; Rodríguez, Ana María; Castro-Osma, José Antonio; Dalton Transactions  (2023) –; doi:10.1039/D3DT00391D

data_7712369
_publ_section_title
;
 One-pot terpolymerization of CHO, CO2 and L-lactide using chloride indium
 catalysts
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00391D
_journal_year                    2023
_chemical_formula_moiety         'C32 H50 Cl4 In2 N8 O2, 2(C H2 Cl2)'
_chemical_formula_sum            'C34 H54 Cl8 In2 N8 O2'
_chemical_formula_weight         1120.09
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-04-22 deposited with the CCDC.	2023-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.946(4)
_cell_length_b                   15.760(4)
_cell_length_c                   19.285(5)
_cell_measurement_reflns_used    4850
_cell_measurement_temperature    245(2)
_cell_measurement_theta_max      23.667
_cell_measurement_theta_min      2.476
_cell_volume                     4543(2)
_computing_cell_refinement       'Bruker SAINT V8.37 (Bruker AXS Inc. 2016)'
_computing_data_collection       'APEX3 v. 2016.1.0 (Bruker AXS, 2016)'
_computing_data_reduction        'Bruker SAINT V8.37 (Bruker AXS Inc. 2016)'
_computing_molecular_graphics    'OLEX2 (Dolomanov 2009)'
_computing_publication_material  'OLEX2 (Dolomanov 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS (Sheldrick, 2015)'
_diffrn_ambient_temperature      245(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector, APEX'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30162
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.476
_exptl_absorpt_coefficient_mu    1.526
_exptl_absorpt_correction_T_max  0.739
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_description       prism
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.082
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.316
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0535
_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^)+(0.0686P)^2^+9.1550P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1405
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3505
_reflns_number_total             4651
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt00391d2.cif
_cod_data_source_block           1
_cod_original_cell_volume        4542.7(19)
_cod_database_code               7712369
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.771
_shelx_estimated_absorpt_t_max   0.885
_shelx_res_checksum              99855
_shelx_hkl_checksum              4145