Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching
Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo; Inorganic Chemistry 50 (2011) 8261–8273; doi:10.1021/ic200794b

data_4326039
_publ_contact_author_address
;
Department of Chemistry
East Carolina University
Greenville, NC 27858
;
_publ_contact_author_email       huos@ecu.edu
_publ_contact_author_fax         252-3286210
_publ_contact_author_name        'Shouquan Huo'
_publ_contact_author_phone       252-328-9784
_publ_section_title
;
 Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in
 Fused Five-Six-Membered Metallacycle and Diminishing Concentration
 Quenching
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8261
_journal_page_last               8273
_journal_paper_doi               10.1021/ic200794b
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C26 H18 Cl N3 Pt'
_chemical_formula_weight         602.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                90.00
_cell_angle_beta                 113.6708(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.10510(10)
_cell_length_b                   12.6124(2)
_cell_length_c                   17.3747(2)
_cell_measurement_reflns_used    9209
_cell_measurement_temperature    294
_cell_measurement_theta_max      32.21
_cell_measurement_theta_min      2.61
_cell_volume                     2028.09(5)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      294
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker-Nonius Kappa Axis X8 Apex2'
_diffrn_measurement_method       'omega and phi 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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            111269
_diffrn_reflns_theta_full        37.91
_diffrn_reflns_theta_max         37.91
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    7.070
_exptl_absorpt_correction_T_max  0.6488
_exptl_absorpt_correction_T_min  0.1992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_description       plate
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.219
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         10946
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0224P)^2^+0.7626P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                8022
_reflns_number_total             10946
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200794b_si_002_3.cif
_cod_data_source_block           complex3
_cod_original_cell_volume        2028.09(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4326039