Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.
Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong; Dalton transactions (Cambridge, England : 2003) 45 (2016) 10577–10584; doi:10.1039/c6dt01746k

data_7039338
_publ_section_title
;
 Carboxylation of terminal alkynes with CO2 using novel silver
 N-heterocyclic carbene complexes.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10577
_journal_page_last               10584
_journal_paper_doi               10.1039/c6dt01746k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C38 H40 Ag2 Cl2 N4'
_chemical_formula_sum            'C38 H40 Ag2 Cl2 N4'
_chemical_formula_weight         839.38
_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   geom
_audit_update_record
;
2016-05-27 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.261(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.992(5)
_cell_length_b                   8.977(4)
_cell_length_c                   19.725(9)
_cell_measurement_reflns_used    1871
_cell_measurement_temperature    193.(2)
_cell_measurement_theta_max      22.62
_cell_measurement_theta_min      2.49
_cell_volume                     1768.9(14)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193.(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0731
_diffrn_reflns_av_unetI/netI     0.0833
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11722
_diffrn_reflns_theta_full        26.56
_diffrn_reflns_theta_max         26.56
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    1.291
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.85
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.095
_refine_diff_density_min         -1.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         3576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.1477
_refine_ls_R_factor_gt           0.1047
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0828P)^2^+41.3985P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2673
_refine_ls_wR_factor_ref         0.2929
_reflns_number_gt                2395
_reflns_number_total             3576
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01746k2.cif
_cod_data_source_block           mo_50604c
_cod_depositor_comments
'Adding full bibliography for 7039337--7039340.cif.'
_cod_database_code               7039338
_shelx_res_checksum              5709