Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic carbene and zwitterionic thiolate mixed ligands: synthesis, structural characterization and catalytic properties.
Wang, Yu-Ting; Gao, Bin-Bin; Wang, Fan; Liu, Shi-Yuan; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping; Dalton transactions (Cambridge, England : 2003) 46 (2017) 1832–1839; doi:10.1039/c6dt04599e

data_7041616
_publ_section_title
;
 Palladium(ii) and palladium(ii)-silver(i) complexes with N-heterocyclic
 carbene and zwitterionic thiolate mixed ligands: synthesis, structural
 characterization and catalytic properties.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1832
_journal_page_last               1839
_journal_paper_doi               10.1039/c6dt04599e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C30 H42 F6 N6 O6 Pd S4'
_chemical_formula_sum            'C30 H42 F6 N6 O6 Pd S4'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2016-12-29 deposited with the CCDC.
2017-01-04 downloaded from the CCDC.
;
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_cell_volume                     1911.5(3)
_computing_cell_refinement       'Bruker D8 Quest'
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_diffrn_measurement_device_type  'Bruker D8 Quest'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         27.544
_diffrn_reflns_theta_min         2.332
_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  0
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         4395
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+1.3203P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 7041612--7041617.cif.'
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