Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of Ethylene with 5-Norbornene-2-methanol using Bis(β-enaminoketonato)titanium Catalysts
Hong, Miao; Wang, Yong-Xia; Mu, Hong-Liang; Li, Yue-Sheng; Organometallics 30 (2011) 4678–; doi:10.1021/om200526n

data_4065032
_publ_section_title
;
 Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of
 Ethylene with 5-Norbornene-2-methanol using
 Bis(\b-enaminoketonato)titanium Catalysts
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4678
_journal_paper_doi               10.1021/om200526n
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C30 H34 Cl2 F6 N2 O2 Ti'
_chemical_formula_weight         687.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.175(3)
_cell_angle_beta                 76.925(2)
_cell_angle_gamma                73.955(2)
_cell_formula_units_Z            4
_cell_length_a                   14.6987(18)
_cell_length_b                   15.5661(19)
_cell_length_c                   16.065(2)
_cell_measurement_reflns_used    2603
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      22.1645
_cell_measurement_theta_min      2.6054
_cell_volume                     3437.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0718
_diffrn_reflns_av_sigmaI/netI    0.2323
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17626
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.465
_exptl_absorpt_correction_T_max  0.9550
_exptl_absorpt_correction_T_min  0.9128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.649
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         12093
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.2005
_refine_ls_R_factor_gt           0.0788
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0212P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1352
_reflns_number_gt                4697
_reflns_number_total             12093
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200526n_si_002.cif
_cod_data_source_block           1c
_cod_original_cell_volume        3438.0(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065032