Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling of iodobenzenes with terminal alkynes
Bosch, Eric; Acta Crystallographica Section E Crystallographic Communications 81 (2025) –; doi:10.1107/S2056989025004025

data_2023501
_publ_section_title
;
 Phenyl palladium(II) iodide complexes isolated after Sonogashira coupling
 of iodobenzenes with terminal alkynes
;
_journal_coeditor_code           JY2058
_journal_issue                   6
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989025004025
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          '[Pd (C6 H3 N2 O 4) I (C18 H15 P)2], C4 H8 O2'
_chemical_formula_moiety         'C42 H33 I N2 O4 P2 Pd, C4 H8 O2'
_chemical_formula_sum            'C46 H41 I N2 O6 P2 Pd'
_chemical_formula_weight         1013.115
_chemical_name_systematic
;
(3,5-Dinitrophenyl)iodidobis(triphenylphosphane)palladium(II)
ethyl acetate monosolvate
;
_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'
_atom_sites_solution_primary     iterative
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;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
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_cell_length_c                   10.4381(6)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.52
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_computing_molecular_graphics
;
X-SEED 4 (Barbour, 2020)
;
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;
Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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olex2.refine 1.5 (Bourhis <i>et al.</i>,  2015)
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olex2.solve 1.5 (Bourhis <i>et al.</i>,  2015)
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Mo K\a'
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_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            'clear yellow'
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_refine_ls_shift/su_max          0.0008
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0221P)^2^+15.7650P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>=2u(I)
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