Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines <i>via</i> 2-haloanilines with vinyl azides or 3-phenyl-2<i>H</i>-azirines.
Shen, Guodong; Wang, Zeyou; Huang, Xianqiang; Gong, Shuwen; Zhang, Jiangong; Tang, Zhenfei; Sun, Manman; Lv, Xin; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13993–13998; doi:10.1039/d0dt02625e

data_7705251
_publ_section_title
;
 Bonded- and discreted-Lindqvist hexatungstate-based copper hybrids as
 heterogeneous catalysts for the one-pot synthesis of 2-phenylquinoxalines
 <i>via</i> 2-haloanilines with vinyl azides or
 3-phenyl-2<i>H</i>-azirines.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13993
_journal_page_last               13998
_journal_paper_doi               10.1039/d0dt02625e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C48 H46 Cu4 N8 O29 W6'
_chemical_formula_weight         2556.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-09 deposited with the CCDC.	2020-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                108.267(3)
_cell_angle_beta                 101.159(2)
_cell_angle_gamma                106.443(3)
_cell_formula_units_Z            1
_cell_length_a                   10.6500(9)
_cell_length_b                   12.1479(11)
_cell_length_c                   13.1931(12)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.193
_cell_measurement_theta_min      3.3095
_cell_volume                     1478.0(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7550
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.015
_diffrn_reflns_theta_max         25.015
_diffrn_reflns_theta_min         2.258
_exptl_absorpt_coefficient_mu    13.126
_exptl_absorpt_correction_T_max  0.2138
_exptl_absorpt_correction_T_min  0.1603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.872
_exptl_crystal_description       block
_exptl_crystal_F_000             1182
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_refine_diff_density_max         4.175
_refine_diff_density_min         -4.097
_refine_diff_density_rms         0.433
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         5156
_refine_ls_number_restraints     444
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0585
_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^)+(0.1118P)^2^+61.0228P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1874
_refine_ls_wR_factor_ref         0.1953
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4232
_reflns_number_total             5156
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02625e2.cif
_cod_data_source_block           161026c
_cod_depositor_comments
'Adding full bibliography for 7705251--7705253.cif.'
_cod_database_code               7705251
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.160
_shelx_estimated_absorpt_t_max   0.214
_shelx_res_checksum              22420