Phenylpiperazinium Trichloromercurate
Zouari, F.; Ben Salah, A.; Hovestreydt, E. R.; Acta Crystallographica Section C 51 (1995) 1563–1565; doi:10.1107/S0108270194013454

data_2003821
_publ_section_title
;
 Phenylpiperazinium Trichloromercurate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1563
_journal_page_last               1565
_journal_paper_doi               10.1107/S0108270194013454
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C10 H14 Cl3 Hg1 N2'
_chemical_formula_sum            'C10 H14 Cl3 Hg N2'
_chemical_formula_weight         470.2
_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_type_scat_source           IntTabC
_cell_angle_alpha                90
_cell_angle_beta                 110.34(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.975(3)
_cell_length_b                   8.013(2)
_cell_length_c                   14.051(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299
_cell_measurement_theta_max      15
_cell_measurement_theta_min      5
_cell_volume                     2742.2(9)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2509
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        5.2
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.785
_exptl_absorpt_correction_T_max  0.1758
_exptl_absorpt_correction_T_min  0.0828
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.278
_exptl_crystal_density_meas      2.261
_exptl_crystal_density_method    pycnometry
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.76
_refine_diff_density_min         -1.31
_refine_ls_extinction_coef       '\c = 0.00034(3)'
_refine_ls_extinction_method     'F* = F(1 + 0.002\cF^2^/sin2\q)^-1/4^'
_refine_ls_goodness_of_fit_obs   1.14
_refine_ls_hydrogen_treatment    'H atom refined as riding, fixed U~iso~'
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1112
_refine_ls_R_factor_obs          0.0529
_refine_ls_shift/esd_max         0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)+0.0010F^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0615
_reflns_number_observed          1112
_reflns_number_total             2414
_reflns_observed_criterion       F>6.0\s(F)
_cod_data_source_file            na1108.cif
_cod_data_source_block           na1108a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)+0.0010F^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/\s^2^(F)+0.0010F^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2742.2(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C10 H14 Cl3 Hg1 N2'
_cod_database_code               2003821