A New Approach to Functionalize an Organic Compound through the Influence of Metal Bis(dithiolene) Complexes Leading to Ion-Pair Compounds Exhibiting Strong Emission at Room Temperature in the Visible Region
Madhu, Vedichi; Das, Samar K.; Inorganic Chemistry 45 (2006) 10037–10039; doi:10.1021/ic0615980

data_4333169
_publ_section_title
;
 A New Approach to Functionalize an Organic Compound through the Influence
 of Metal Bis(dithiolene) Complexes Leading to Ion-Pair Compounds
 Exhibiting Strong Emission at Room Temperature in the Visible Region
;
_journal_issue                   25
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10037
_journal_page_last               10039
_journal_paper_doi               10.1021/ic0615980
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C32 H18 N8 Ni O2 S4'
_chemical_formula_weight         733.49
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.980(4)
_cell_length_b                   6.4802(10)
_cell_length_c                   21.104(3)
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_cell_measurement_temperature    298(2)
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_cell_measurement_theta_min      2.91
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_computing_cell_refinement       'Bruker Smart (2003)'
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_computing_molecular_graphics    'Diamond 2.1'
_computing_publication_material  SHELXTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0309
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_diffrn_reflns_limit_h_max       29
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_diffrn_reflns_limit_k_min       -7
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_diffrn_reflns_number            13804
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_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.969
_exptl_absorpt_correction_T_max  0.9265
_exptl_absorpt_correction_T_min  0.6751
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick 1997)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.44
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_refine_diff_density_max         0.433
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2660
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+3.1781P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1310
_reflns_number_gt                2120
_reflns_number_total             2660
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0615980sup1.cif
_cod_data_source_block           skd163_m
_cod_original_cell_volume        3013.2(8)
_cod_original_sg_symbol_H-M      c_2/c
_cod_database_code               4333169