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_1575624
_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 N6 P4, C H4 O'
_chemical_formula_sum            'C55 H44 N6 O P4'
_chemical_formula_weight         928.84
_chemical_name_systematic
;
 4,4',6,6'-Tetrakis(diphenylphosphino)-2,2'-bis(1,3,5-triazine)
;
_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
;
2025-08-20 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                112.326(8)
_cell_angle_beta                 98.243(8)
_cell_angle_gamma                91.295(8)
_cell_formula_units_Z            2
_cell_length_a                   11.630(3)
_cell_length_b                   15.246(4)
_cell_length_c                   15.743(5)
_cell_measurement_reflns_used    1767
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      20.08
_cell_measurement_theta_min      2.64
_cell_volume                     2546.4(12)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.1028
_diffrn_reflns_av_unetI/netI     0.1317
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21751
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        22.463
_diffrn_reflns_theta_max         22.463
_diffrn_reflns_theta_min         2.195
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         6621
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1375
_refine_ls_R_factor_gt           0.0647
_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^)+(0.0752P)^2^+2.1111P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.1966
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3680
_reflns_number_total             6621
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01861g2.cif
_cod_data_source_block           md660
_cod_depositor_comments
'Adding full bibliography for 1575624--1575626.cif.'
_cod_original_cell_volume        2546.5(12)
_cod_database_code               1575624
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.846
_shelx_estimated_absorpt_t_max   0.994
_shelx_res_checksum              69241
_shelx_hkl_checksum              21957