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_4326038
_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            'C22.25 H16.5 Cl1.5 N3 Pt'
_chemical_formula_weight         574.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                61.850(2)
_cell_angle_beta                 78.070(3)
_cell_angle_gamma                79.050(3)
_cell_formula_units_Z            4
_cell_length_a                   10.6291(6)
_cell_length_b                   14.1109(8)
_cell_length_c                   14.4003(8)
_cell_measurement_reflns_used    9750
_cell_measurement_temperature    110
_cell_measurement_theta_max      37.64
_cell_measurement_theta_min      2.70
_cell_volume                     1852.51(18)
_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    XS
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.824
_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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            52410
_diffrn_reflns_theta_full        34.91
_diffrn_reflns_theta_max         40.32
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    7.804
_exptl_absorpt_correction_T_max  0.3505
_exptl_absorpt_correction_T_min  0.2186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.059
_exptl_crystal_description       prism
_exptl_crystal_F_000             1098
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         4.657
_refine_diff_density_min         -4.481
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         19325
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+0.8403P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0769
_reflns_number_gt                14964
_reflns_number_total             19325
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200794b_si_002_2.cif
_cod_data_source_block           complex1
_cod_original_formula_sum        'C22.25 H16.50 Cl1.50 N3 Pt'
_cod_database_code               4326038