Highly Cis-1,4-Selective Living Polymerization of 1,3-Conjugated Dienes and Copolymerization with ε-Caprolactone by Bis(phosphino)carbazolide Rare-Earth-Metal Complexes
Wang, Lingfang; Cui, Dongmei; Hou, Zhaomin; Li, Wei; Li, Yang; Organometallics 30 (2011) 760–; doi:10.1021/om1009395

data_4063781
_publ_section_title
;
 Highly Cis-1,4-Selective Living Polymerization of 1,3-Conjugated Dienes
 and Copolymerization with \e-Caprolactone by Bis(phosphino)carbazolide
 Rare-Earth-Metal Complexes
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              760
_journal_paper_doi               10.1021/om1009395
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C77 H90 N3 O2 P2 Y'
_chemical_formula_weight         1240.37
_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                 97.2890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.3451(8)
_cell_length_b                   15.1152(5)
_cell_length_c                   19.3179(6)
_cell_measurement_temperature    273(2)
_cell_volume                     7051.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33919
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  0.9138
_exptl_absorpt_correction_T_min  0.8595
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourleaa
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2632
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.487
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     777
_refine_ls_number_reflns         12411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0935P)^2^+6.1950P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1658
_reflns_number_gt                9186
_reflns_number_total             12411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1009395_si_001.cif
_cod_data_source_block           u130a
_cod_original_sg_symbol_H-M      p21/c
_cod_database_code               4063781