A highly active and site selective indium catalyst for lactide polymerization
Dinesh C. Aluthge; Brian O. Patricka; Parisa Mehrkhodavandi; Chem.Commun. 49 (2013) 4295–; doi:10.1039/c2cc33519k

data_7109178
_publ_section_title
;
 A highly active and site selective indium catalyst for lactide
 polymerization
;
_journal_name_full               Chem.Commun.
_journal_page_first              4295
_journal_paper_doi               10.1039/c2cc33519k
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C36 H52 Cl In N2 O2'
_chemical_formula_weight         695.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.242(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.805(3)
_cell_length_b                   26.307(6)
_cell_length_c                   10.923(3)
_cell_measurement_reflns_used    5978
_cell_measurement_temperature    90.0(1)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      2.28
_cell_volume                     3494.6(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90.0(1)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.102
_diffrn_reflns_av_sigmaI/netI    0.0980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4571
_diffrn_reflns_theta_full        22.53
_diffrn_reflns_theta_max         22.53
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.307
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         4571
_refine_ls_number_restraints     504
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0680P)^2^+9.7000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1408
_refine_ls_wR_factor_ref         0.1614
_reflns_number_gt                3314
_reflns_number_total             4571
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c2cc33519k.txt
_cod_data_source_block           pm075
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7109178