Simultaneous N2 and N3 coordination of inverse triazolyl-pyridine ligands in Ag(i) complexes: synthesis, structure, and application in the A3 coupling reaction to propargylamine under solvent free and low catalyst loading conditions
Gahlaut, Puneet Singh; Gautam, Deepak; Shekhawat, Bhawana; Kushwaha, Shivani; Jana, Barun; New Journal of Chemistry 47 (2023) 19953–19962; doi:10.1039/D3NJ03820C

data_7062781
_publ_section_title
;
 Simultaneous N2 and N3 coordination of inverse triazolyl-pyridine ligands
 in Ag(i) complexes: synthesis, structure, and application in the A3
 coupling reaction to propargylamine under solvent free and low catalyst
 loading conditions
;
_journal_issue                   43
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19953
_journal_page_last               19962
_journal_paper_doi               10.1039/D3NJ03820C
_journal_volume                  47
_journal_year                    2023
_chemical_formula_sum            'C32 H32 Ag2 N10 O8'
_chemical_formula_weight         900.41
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2023-07-07 deposited with the CCDC.	2023-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.2380(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   11.9947(6)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.94
_cell_volume                     1681.44(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         28.317
_diffrn_reflns_theta_min         2.659
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_description       block
_exptl_crystal_F_000             904
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_exptl_crystal_size_min          0.10
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.2971P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1247
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3918
_reflns_number_total             4186
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj03820c2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7062781--7062782.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7062781
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              30772