Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization
Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying; Organometallics 34 (2015) 2783–; doi:10.1021/acs.organomet.5b00247

data_4085894
_publ_section_title
;
 Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand:
 Synthesis, Characterization, and Catalysis in Ethylene Polymerization
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2783
_journal_paper_doi               10.1021/acs.organomet.5b00247
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C36 H44 Cl2 Cr N3 O'
_chemical_formula_weight         657.64
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 83.879(5)
_cell_angle_gamma                73.814(4)
_cell_formula_units_Z            2
_cell_length_a                   8.808(2)
_cell_length_b                   12.442(3)
_cell_length_c                   15.698(4)
_cell_measurement_reflns_used    2676
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      24.96
_cell_measurement_theta_min      2.56
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scan'
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         26.16
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  0.9373
_exptl_absorpt_correction_T_min  0.9224
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             694
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_refine_ls_R_factor_all          0.1450
_refine_ls_R_factor_gt           0.1281
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1177P)^2^+22.1053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3579
_refine_ls_wR_factor_ref         0.3706
_reflns_number_gt                5009
_reflns_number_total             6197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00247_si_001.cif
_cod_data_source_block           Complex_6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4085889--4085894.cif.
;
_cod_original_cell_volume        1633.7(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4085894