Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates
Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.; Organometallics 32 (2013) 3343–; doi:10.1021/om400286j

data_4089494
_publ_section_title
;
 Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl,
 Br): Involvement of Palladium(III) and Palladium(IV) Intermediates
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              3343
_journal_paper_doi               10.1021/om400286j
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C76 H104 F48 N8 O4 P8 Pd4 S8'
_chemical_formula_weight         3035.51
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_space_group_name_Hall           '-I 2b 2'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.001
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2012/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.942
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_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0720
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0807P)^2^+137.6901P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2141
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om400286j_si_002.cif
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_shelx_estimated_absorpt_t_min   0.740
_shelx_estimated_absorpt_t_max   0.879
_shelxl_version_number           2013-3
_shelx_res_checksum              77080
_shelx_hkl_checksum              98753