A tetraphosphino-bis(<i>s</i>-triazine) from cyanuric chloride and Ph<sub>2</sub>PH: new unexpected tandem C-C/C-P coupling reaction.
Artem'ev, Alexander V.; Davydova, Maria P.; Kuzmin, Anton V.; Rakhmanova, Mariana I.; Bagryanskaya, Irina Yu; Dalton transactions (Cambridge, England : 2003) 54 (2025) 14440–14447; doi:10.1039/d5dt01861g

data_1575625
_publ_section_title
;
 A tetraphosphino-bis(<i>s</i>-triazine) from cyanuric chloride and
 Ph<sub>2</sub>PH: new unexpected tandem C-C/C-P coupling reaction.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14440
_journal_page_last               14447
_journal_paper_doi               10.1039/d5dt01861g
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C54 H40 Au4 Cl4 N6 P4, 2 (C4 H10 O)'
_chemical_formula_sum            'C62 H60 Au4 Cl4 N6 O2 P4'
_chemical_formula_weight         1974.70
_chemical_name_systematic
'complex of gold(I) chloride with 4,4',6,6'-Tetrakis(diphenylphosphino)- 2,2'-bis(1,3,5-triazine)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-08-20 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.894(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.6368(10)
_cell_length_b                   21.8612(10)
_cell_length_c                   18.3488(9)
_cell_measurement_reflns_used    8617
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.49
_cell_measurement_theta_min      2.17
_cell_volume                     7065.6(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0764
_diffrn_reflns_av_unetI/netI     0.0775
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31070
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.721
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    8.565
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_correction_T_min  0.4567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3736
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.642
_refine_diff_density_min         -1.343
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         6209
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1161
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+169.3805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1404
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3661
_reflns_number_total             6209
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01861g2.cif
_cod_data_source_block           md993_sq
_cod_depositor_comments
'Adding full bibliography for 1575624--1575626.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1575625
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.056
_shelx_estimated_absorpt_t_max   0.726
_shelx_res_checksum              10
_shelx_hkl_checksum              26996
_shelx_fab_checksum              53463