Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling
Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.; New J. Chem. 41 (2017) 2745–; doi:10.1039/C7NJ00067G

data_7056032
_publ_section_title
;
 Oxine based unsymmetrical (O&#x2212;, N, S/Se) pincer ligands and their
 palladium(ii) complexes: synthesis, structural aspects and applications
 as a catalyst in amine and copper-free Sonogashira coupling
;
_journal_issue                   7
_journal_name_full               'New J. Chem.'
_journal_page_first              2745
_journal_paper_doi               10.1039/C7NJ00067G
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C16 H12 Cl N O Pd Se'
_chemical_formula_sum            'C16 H12 Cl N O Pd Se'
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_chemical_name_systematic
; 
 ? 
;
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_audit_update_record
;
2017-02-25 deposited with the CCDC.
2017-03-01 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -27
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_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
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_platon_squeeze_details
;
Hexane is disordered and difficult to model 
;
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0608P)^2^+5.7801P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4970
_reflns_number_total             6155
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nj00067g2.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7056031--7056033.cif.
;
_cod_original_sg_symbol_Hall     '-P 2ac2ab'
_cod_original_sg_symbol_H-M      Pbca
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_shelx_res_checksum              68795