Copolymerization of Ethylene with 1-Hexene and 1-Octene Catalyzed by Fluorenyl N-Heterocyclic Carbene Ligated Rare-Earth Metal Precursors
Yao, Changguang; Wu, Chunji; Wang, Baoli; Cui, Dongmei; Organometallics 32 (2013) 2204–; doi:10.1021/om4000709

data_4080538
_publ_section_title
;
 Copolymerization of Ethylene with 1-Hexene and 1-Octene Catalyzed by
 Fluorenyl N-Heterocyclic Carbene Ligated Rare-Earth Metal Precursors
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2204
_journal_paper_doi               10.1021/om4000709
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C39 H52 Er N2 Si2'
_chemical_formula_weight         772.27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.2640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.909(2)
_cell_length_b                   11.0583(7)
_cell_length_c                   20.5609(14)
_cell_measurement_temperature    198(2)
_cell_volume                     7661.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(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     0.71073
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24146
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    2.280
_exptl_absorpt_correction_T_max  0.8567
_exptl_absorpt_correction_T_min  0.7875
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3167
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.161
_refine_diff_density_min         -2.020
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         7533
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0596
_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^)+(0.0600P)^2^+29.2694P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                5631
_reflns_number_total             7533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4000709_si_002.cif
_cod_data_source_block           flu-er
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4080538