Synthesis of Aqueous Polyethylene Dispersions with Electron-Deficient Neutral Nickel(II) Catalysts with Enolatoimine Ligands
Yu, Sze-Man; Berkefeld, Andreas; Göttker-Schnetmann, Inigo; Müller, Gerhard; Mecking, Stefan; Macromolecules 40 (2007) 421–; doi:10.1021/ma061804n

data_1505116
_publ_section_title
;
 Synthesis of Aqueous Polyethylene Dispersions with Electron-Deficient
 Neutral Nickel(II) Catalysts with Enolatoimine Ligands
;
_journal_issue                   3
_journal_name_full               Macromolecules
_journal_page_first              421
_journal_paper_doi               10.1021/ma061804n
_journal_volume                  40
_journal_year                    2007
_chemical_compound_source        'Synthesis in Lab'
_chemical_formula_sum            'C28 H11 F18 N O2'
_chemical_formula_weight         735.38
_chemical_name_systematic
;3-[((2,6-Bis{3,5-bistrifluoromethylphenyl}phenyl)amino)methylene]
-1,1,1,5,5,5-hexafluoropentane-2,4-dione
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 99.872(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2269(5)
_cell_length_b                   15.4634(10)
_cell_length_c                   11.0881(7)
_cell_measurement_reflns_used    27606
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.64
_cell_measurement_theta_min      1.84
_cell_volume                     1389.70(15)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_pressure         101.325
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1019
_diffrn_reflns_av_sigmaI/netI    0.0775
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            26378
_diffrn_reflns_theta_full        29.25
_diffrn_reflns_theta_max         29.25
_diffrn_reflns_theta_min         2.28
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_type              'STOE C-Tech'
_diffrn_standards_decay_%        32.2
_diffrn_standards_interval_count 120
_diffrn_standards_interval_time  120
_diffrn_standards_number         360
_exptl_absorpt_coefficient_mu    0.193
_exptl_absorpt_correction_T_max  0.9268
_exptl_absorpt_correction_T_min  0.9097
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             728
_exptl_crystal_recrystallization_method 'dichloromethane/ pentane -30\%C'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.1(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         7480
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0623P)^2^+0.4201P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1223
_reflns_number_gt                6766
_reflns_number_total             7480
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma061804nsi20060808_113250.cif
_cod_data_source_block           d:\xray\abzmf\abzmf
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1505116