Platinum(II) Compounds Containing Cyclometalated Tridentate Ligands: Synthesis, Luminescence Studies, and a Selective Fluoro for Methoxy Substitution
Gandioso, Albert; Valle-Sistac, Jennifer; Rodr\?íguez, Laura; Crespo, Margarita; Font-Bard\?ía, Mercè; Organometallics 33 (2014) 561–; doi:10.1021/om401111t

data_4082287
_publ_section_title
;
 Platinum(II) Compounds Containing Cyclometalated Tridentate Ligands:
 Synthesis, Luminescence Studies, and a Selective Fluoro for Methoxy
 Substitution
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              561
_journal_paper_doi               10.1021/om401111t
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C12 H16 Cl F N2 Pt'
_chemical_formula_sum            'C12 H16 Cl F N2 Pt'
_chemical_formula_weight         437.81
_chemical_name_systematic
;
 ?
;
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 93.599(2)
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   8.8441(4)
_cell_length_b                   40.152(2)
_cell_length_c                   29.1849(16)
_cell_measurement_reflns_used    9615
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      2.46
_cell_volume                     10343.4(9)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean photon
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            197137
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.108
_diffrn_reflns_theta_min         2.146
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    11.050
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.249
_exptl_crystal_description       Prism
_exptl_crystal_F_000             6592
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.725
_refine_diff_density_min         -1.636
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1217
_refine_ls_number_reflns         18361
_refine_ls_number_restraints     400
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0243P)^2^+113.2429P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0876
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16383
_reflns_number_total             18361
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om401111t_si_002.cif
_cod_data_source_block           mo_IAJRB109_0m_a
_cod_original_cell_volume        10343.3(9)
_cod_database_code               4082287