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_1575626
_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         'C58 H46 N8 P4 Se4'
_chemical_formula_sum            'C58 H46 N8 P4 Se4'
_chemical_formula_weight         1294.75
_chemical_name_systematic
'[2,2'-Bi(1,3,5-triazine)]-4,4',6,6'- tetrayltetrakis(diphenylphosphine selenide)'
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-07-29 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.137(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.5542(13)
_cell_length_b                   16.5391(13)
_cell_length_c                   12.5469(10)
_cell_measurement_reflns_used    4825
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.18
_cell_measurement_theta_min      2.90
_cell_volume                     2777.3(4)
_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      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0780
_diffrn_reflns_av_unetI/netI     0.0612
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22480
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.024
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_min         2.463
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.804
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.7364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.301
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0681
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+17.0889P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1842
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3688
_reflns_number_total             4892
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01861g2.cif
_cod_data_source_block           md1088
_cod_depositor_comments
'Adding full bibliography for 1575624--1575626.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1575626
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.487
_shelx_estimated_absorpt_t_max   0.973
_shelx_res_checksum              2650
_shelx_hkl_checksum              53249