Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization
Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan; ACS Catalysis 9 (2019) 2760–; doi:10.1021/acscatal.8b04707

data_4514751
_publ_section_title
;
 Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion
 Polymerization
;
_journal_issue                   4
_journal_name_full               'ACS Catalysis'
_journal_page_first              2760
_journal_paper_doi               10.1021/acscatal.8b04707
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C47 H48 F2 N Ni O1 P, C4 H10 O'
_chemical_formula_sum            'C51 H58 F2 N Ni O2 P'
_chemical_formula_weight         844.66
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_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_cell_length_c                   26.7439(18)
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'STOE IPDS 2T'
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_diffrn_reflns_theta_min         1.523
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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_exptl_absorpt_correction_T_max  0.9093
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_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       platelet
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0441P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs8b04707_si_003.cif
_cod_data_source_block           ssp38
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_secondary' value 'diffmap' was changed to
'difmap'.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4514751
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              80457
_shelx_hkl_checksum              51096