Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide
Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki; Journal of the American Chemical Society 133 (2011) 10720–10723; doi:10.1021/ja203382q

data_4106417
_publ_section_title
;
 Tetravalent Metal Complexes as a New Family of Catalysts for
 Copolymerization of Epoxides with Carbon Dioxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10720
_journal_page_last               10723
_journal_paper_doi               10.1021/ja203382q
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C47 H57 Cl N2 O3 Sn'
_chemical_formula_weight         852.09
_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                 96.559(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.453(4)
_cell_length_b                   18.891(9)
_cell_length_c                   25.813(12)
_cell_measurement_temperature    93(2)
_cell_volume                     4579(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1536
_diffrn_reflns_av_sigmaI/netI    0.1692
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27193
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    0.655
_exptl_absorpt_correction_T_max  0.9935
_exptl_absorpt_correction_T_min  0.9374
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         5.011
_refine_diff_density_min         -1.710
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         8024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.2085
_refine_ls_R_factor_gt           0.1637
_refine_ls_shift/su_max          2.035
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1351P)^2^+184.5446P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3702
_refine_ls_wR_factor_ref         0.4006
_reflns_number_gt                5372
_reflns_number_total             8024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja203382q_si_002_4.cif
_cod_data_source_block           1d
_cod_database_code               4106417