An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.
Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan; Organic & biomolecular chemistry 3 (2005) 3379–3387; doi:10.1039/b508917d

data_7150267
_publ_section_title
;
 An ortho-palladated dimethylbenzylamine complex as a highly efficient
 turnover catalyst for the decomposition of P=S insecticides.
 Mechanistic studies of the methanolysis of some P=S-containing
 phosphorothioate triesters.
;
_journal_issue                   18
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3379
_journal_page_last               3387
_journal_paper_doi               10.1039/b508917d
_journal_volume                  3
_journal_year                    2005
_chemical_formula_sum            'C15 H17 F3 N2 O3 Pd S'
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_chemical_name_systematic
;
?
;
_space_group_IT_number           14
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.907
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_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.10
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_exptl_absorpt_correction_T_min  0.7016
_exptl_absorpt_correction_type   'Empirical (Bruker SADABS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+1.5007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0601
_refine_ls_wR_factor_ref         0.0649
_reflns_number_gt                3183
_reflns_number_total             4005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b508917d.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1772.3(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7150267