Tetranuclear rollover cyclometalated organoplatinum-rhenium compounds; C-I oxidative addition and C-C reductive elimination using a rollover cycloplatinated dimer.
Nabavizadeh, S. Masoud; Molaee, Hajar; Haddadi, Elahe; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Abu-Omar, Mahdi M; Dalton transactions (Cambridge, England : 2003)  (2021) –; doi:10.1039/d1dt02086b

data_7708529
_publ_section_title
;
 Tetranuclear rollover cyclometalated organoplatinum-rhenium compounds;
 C-I oxidative addition and C-C reductive elimination using a rollover
 cycloplatinated dimer.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d1dt02086b
_journal_year                    2021
_chemical_formula_sum            'C42 H46 I2 N2 P2 Pt2'
_chemical_formula_weight         1284.73
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-04-26 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                71.461(11)
_cell_angle_beta                 84.633(8)
_cell_angle_gamma                76.338(6)
_cell_formula_units_Z            2
_cell_length_a                   11.721(3)
_cell_length_b                   13.229(4)
_cell_length_c                   14.256(4)
_cell_measurement_reflns_used    330
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      2.7
_cell_volume                     2036.1(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12953
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.219
_diffrn_reflns_theta_min         1.507
_exptl_absorpt_coefficient_mu    8.490
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pale_yellow
_exptl_crystal_density_diffrn    2.096
_exptl_crystal_description       rod
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.407
_refine_diff_density_min         -3.180
_refine_diff_density_rms         0.277
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         8645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0562P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1188
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6177
_reflns_number_total             8645
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02086b2.cif
_cod_data_source_block           09072017_49_0m
_cod_database_code               7708529
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.282
_shelx_estimated_absorpt_t_max   0.676
_shelx_res_checksum              9711