Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds
Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.; Chemical Science 13 (2022) 2391–2404; doi:10.1039/D1SC06346D

data_1566335
_publ_section_title
;
 Ligand and solvent effects on CO2 insertion into group 10 metal alkyl
 bonds
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              2391
_journal_page_last               2404
_journal_paper_doi               10.1039/D1SC06346D
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C30 H50 P2 Pd Si'
_chemical_formula_sum            'C30 H50 P2 Pd Si'
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_audit_update_record
;
2021-09-03 deposited with the CCDC.	2022-02-01 downloaded from the CCDC.
;
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_computing_cell_refinement       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
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_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Yellow
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_exptl_crystal_description       Block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+1.0883P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4940
_reflns_number_total             5722
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1566334--1566339.cif.'
_cod_original_cell_volume        1592.59(15)
_cod_database_code               1566335
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.375
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_shelx_res_checksum              26290
_shelx_hkl_checksum              32202