Structural and photophysical studies of phenanthrene adducts involving C6F5HgCl and [o-C6F4Hg]3.
Taylor, Thomas J.; Burress, Charlotte N.; Pandey, Laxman; Gabbaï, François P; Dalton transactions (Cambridge, England : 2003)  (2006) 4654–4656; doi:10.1039/b611564k

data_7007845
_publ_section_title
;
 Structural and photophysical studies of phenanthrene adducts involving
 C6F5HgCl and [o-C6F4Hg]3.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4654
_journal_page_last               4656
_journal_paper_doi               10.1039/b611564k
_journal_year                    2006
_chemical_formula_moiety         'Hg Cl F5 C6, C13 H10'
_chemical_formula_sum            'C19 H10 Cl F5 Hg'
_chemical_formula_weight         569.31
_chemical_name_common            pentafluoroHgCl/fluorene
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 102.402(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.770(3)
_cell_length_b                   35.555(16)
_cell_length_c                   7.066(3)
_cell_measurement_temperature    110(2)
_cell_volume                     1661.1(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.859
_diffrn_measured_fraction_theta_max 0.859
_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  0.0946
_diffrn_reflns_av_sigmaI/netI    0.1415
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            4377
_diffrn_reflns_theta_full        28.81
_diffrn_reflns_theta_max         28.81
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    9.477
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.192399
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.549
_refine_diff_density_min         -3.376
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         1873
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0684
_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^)+(0.0550P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1496
_refine_ls_wR_factor_ref         0.1575
_reflns_number_gt                1297
_reflns_number_total             1873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b611564k.txt
_cod_data_source_block           lowersad
_cod_original_cell_volume        1661.3(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7007845