Di-μ-iodido-bis{[(4-fluorobenzoylmethylene)triphenyl-λ^5^-phosphorane]iodidomercury(II)}
Akkurt, Mehmet; Karami, Kazem; Yalçın, Şerife Pınar; Büyükgüngör, Orhan; Acta Crystallographica Section E 64 (2008) m612–m613; doi:10.1107/S1600536808008611

data_2218059
_publ_section_title
Di-\m-iodido-bis{[(4-fluorobenzoylmethylene)triphenyl-\l^5^-phosphorane]iodidomercury(II)}
_journal_coeditor_code           BT2690
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m612
_journal_page_last               m613
_journal_paper_doi               10.1107/S1600536808008611
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Hg2 I4 (C26 H20 F O P)2]'
_chemical_formula_moiety         'C52 H40 F2 Hg2 I4 O2 P2'
_chemical_formula_sum            'C52 H40 F2 Hg2 I4 O2 P2'
_chemical_formula_weight         1705.56
_chemical_name_systematic
;
Di-\m-iodido-
bis{[(4-fluorobenzoylmethylene)triphenyl-\l^5^-phosphorane]iodidomercury(II)}
;
_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
_cell_angle_alpha                92.513(13)
_cell_angle_beta                 111.293(12)
_cell_angle_gamma                113.117(12)
_cell_formula_units_Z            1
_cell_length_a                   10.0346(16)
_cell_length_b                   11.8594(19)
_cell_length_c                   13.235(2)
_cell_measurement_reflns_used    47681
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      1.70
_cell_volume                     1317.3(4)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97  (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1559
_diffrn_reflns_av_sigmaI/netI    0.1147
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16225
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.269
_exptl_absorpt_correction_T_max  0.558
_exptl_absorpt_correction_T_min  0.222
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.150
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.002
_refine_diff_density_min         -0.666
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5553
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0447
_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^)+(0.0388P)^2^+0.7953P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0894
_reflns_number_gt                4486
_reflns_number_total             5553
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2690.cif
_cod_data_source_block           I
_cod_original_cell_volume        1317.4(4)
_cod_database_code               2218059
_cod_database_fobs_code          2218059