Stable homogeneous silver(I) catalysts for the highly efficient cycloaddition of azides onto terminal alkynes in water.
Kakavand, Meysam; Kozakiewicz-Piekarz, Anna; Neshat, Abdollah; Dalton transactions (Cambridge, England : 2003) 53 (2024) 18458–18461; doi:10.1039/d4dt02825b

data_7717477
_publ_section_title
;
 Stable homogeneous silver(I) catalysts for the highly efficient
 cycloaddition of azides onto terminal alkynes in water.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18458
_journal_page_last               18461
_journal_paper_doi               10.1039/d4dt02825b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C52 H55 Ag2 B2 Fe N9 P2 S4'
_chemical_formula_sum            'C52 H55 Ag2 B2 Fe N9 P2 S4'
_chemical_formula_weight         1289.44
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-27 deposited with the CCDC.	2024-11-06 downloaded from the CCDC.
;
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_computing_cell_refinement       'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
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_diffrn_reflns_limit_k_min       -20
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            39725
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.436
_diffrn_reflns_theta_min         2.478
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    10.098
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_exptl_absorpt_correction_T_min  0.40185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_description       plate
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.183
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.056
_refine_diff_density_max         2.356
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_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         11029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0446
_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^)+(0.0496P)^2^+9.5734P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1155
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10325
_reflns_number_total             11029
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02825b2.cif
_cod_data_source_block           pn-3_a
_cod_depositor_comments
'Adding full bibliography for 7717477--7717478.cif.'
_cod_database_code               7717477
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.259
_shelx_estimated_absorpt_t_max   0.602
_shelx_res_checksum              48684
_shelx_hkl_checksum              10299