Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study
Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun; Catalysis Science & Technology 11 (2021) 4596–4604; doi:10.1039/D1CY00423A

data_1562424
_publ_section_title
;
 Effect of an additional donor on decene formation in ethylene
 oligomerization catalyzed by a Cr/PCCP system: a combined experimental
 and DFT study
;
_journal_issue                   13
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              4596
_journal_page_last               4604
_journal_paper_doi               10.1039/D1CY00423A
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C37 H27 Cr N O4 P2'
_chemical_formula_weight         663.53
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_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-08-25 deposited with the CCDC.	2021-05-07 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+3.0030P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 1562424.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1562424
_shelx_estimated_absorpt_t_min   0.919
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_shelx_res_checksum              19232