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_7056033
_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 H13 N O S'
_chemical_formula_sum            'C16 H13 N O S'
_chemical_formula_weight         267.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc1n4745
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-02-25 deposited with the CCDC.
2017-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_min      3.746
_cell_volume                     1328.8(7)
_computing_cell_refinement       'Bruker SMART'
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_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0644
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3206
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7056031--7056033.cif.'
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