Enhancement of the Phosphorescence of Organic Luminophores upon Interaction with a Mercury Trifunctional Lewis Acid
Mohammad A. Omary; Refaie M. Kassab; Mason R. Haneline; O. Elbjeirami; François P. Gabbaï; Inorganic Chemistry 42 (2003) 2176–2178; doi:10.1021/ic034066h

data_4313450
_publ_section_title
;
 Enhancement of the Phosphorescence of Organic Luminophores upon
 Interaction with a Mercury Trifunctional Lewis Acid
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2176
_journal_page_last               2178
_journal_paper_doi               10.1021/ic034066h
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C34 H10 F12 Hg3'
_chemical_formula_weight         1248.19
_chemical_name_common            (o-C6F4Hg)3-C16H10
_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                 117.61(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.908(4)
_cell_length_b                   7.0456(14)
_cell_length_c                   21.918(4)
_cell_measurement_temperature    270(2)
_cell_volume                     2997.9(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\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  0.1123
_diffrn_reflns_av_sigmaI/netI    0.0653
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20577
_diffrn_reflns_theta_full        23.74
_diffrn_reflns_theta_max         23.74
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    15.426
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2248
_exptl_crystal_size_max          0.118
_exptl_crystal_size_mid          0.643
_exptl_crystal_size_min          0.036
_refine_diff_density_max         2.170
_refine_diff_density_min         -2.336
_refine_diff_density_rms         0.361
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         4335
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0572
_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^)+(0.0874P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1481
_reflns_number_gt                3513
_reflns_number_total             4335
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034066hsi20030226_103407.cif
_cod_data_source_block           pie2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2998.0(10)
_cod_database_code               4313450