Stepwise cyclopalladation of 2-phenacylthiopyridine to give C,C,N-pincer complexes.
Chicote, María-Teresa; Rubio, Concepción; Bautista, Delia; Vicente, José; Dalton transactions (Cambridge, England : 2003) 43 (2014) 15170–15182; doi:10.1039/c4dt02085e

data_7032009
_publ_section_title
;
 Stepwise cyclopalladation of 2-phenacylthiopyridine to give C,C,N-pincer
 complexes.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15170
_journal_page_last               15182
_journal_paper_doi               10.1039/c4dt02085e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C22 H18 N2 O Pd S'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_measurement_temperature    100(2)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0253
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         28.471
_diffrn_reflns_theta_min         2.084
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0206
_refine_ls_R_factor_gt           0.0186
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0189P)^2^+0.6459P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4635
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7032009--7032011.cif.'
_cod_database_code               7032009
_shelx_estimated_absorpt_t_min   0.798
_shelx_estimated_absorpt_t_max   0.925
_shelxl_version_number           2013-4
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