Coordinatively Unsaturated T-Shaped Platinum(II) Complexes Stabilized by Small N-Heterocyclic Carbene Ligands. Synthesis and Cyclometalation
Roselló-Merino, Marta; Rivada-Wheelaghan, Orestes; Ortuño, Manuel A.; Vidossich, Pietro; D\?íez, Josefina; Lledós, Agust\?í; Conejero, Salvador; Organometallics 33 (2014) 3746–; doi:10.1021/om500416n

data_4084021
_publ_section_title
;
 Coordinatively Unsaturated T-Shaped Platinum(II) Complexes Stabilized by
 Small N-Heterocyclic Carbene Ligands. Synthesis and Cyclometalation
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3746
_journal_paper_doi               10.1021/om500416n
_journal_volume                  33
_journal_year                    2014
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C23 H43 I N4 Pt'
_chemical_formula_sum            'C23 H43 I N4 Pt'
_chemical_formula_weight         697.61
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 90.446(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   10.263(5)
_cell_length_b                   11.880(5)
_cell_length_c                   11.318(5)
_cell_measurement_reflns_used    9793
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.43
_cell_measurement_theta_min      2.48
_cell_volume                     1379.9(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14574
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         29.51
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    6.218
_exptl_absorpt_correction_T_max  0.4362
_exptl_absorpt_correction_T_min  0.2195
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS
 within APEX2 package.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.277
_refine_diff_density_max         2.780
_refine_diff_density_min         -3.641
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.450
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     149
_refine_ls_number_reflns         3582
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.450
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+19.4079P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1266
_reflns_number_gt                3434
_reflns_number_total             3582
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om500416n_si_002.cif
_cod_data_source_block           trans-1d
_cod_depositor_comments
'Adding full bibliography for 4084021--4084022.cif.'
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4084021