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_7062782
_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            'C30 H28 Ag2 N10 O8'
_chemical_formula_weight         872.36
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                75.9390(10)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.47
_cell_volume                     770.53(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-III photon detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_l_max       15
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_diffrn_reflns_point_group_measured_fraction_full 0.988
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_diffrn_reflns_theta_max         28.295
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_exptl_absorpt_coefficient_mu    1.342
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_description       block
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_refine_diff_density_max         0.400
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0155
_refine_ls_R_factor_gt           0.0151
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0195P)^2^+0.4123P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0407
_refine_ls_wR_factor_ref         0.0410
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3726
_reflns_number_total             3799
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj03820c2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7062781--7062782.cif.'
_cod_database_code               7062782
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              29492