Bis(3-bromoimidazolium) tetrachloropalladate(II)
Valle, G.; Ettorre, R.; Acta Crystallographica Section C 50 (1994) 1221–1222; doi:10.1107/S0108270193014222

data_2009982
_publ_section_title
;
 Bis(3-bromoimidazolium) tetrachloropalladate(II)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1221
_journal_page_last               1222
_journal_paper_doi               10.1107/S0108270193014222
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C6 H8 Br2 Cl4 N4 Pd1'
_chemical_formula_sum            'C6 H8 Br2 Cl4 N4 Pd'
_chemical_formula_weight         544.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976); IntTabIV'
_cell_angle_alpha                90.
_cell_angle_beta                 115.20(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   16.465(2)
_cell_length_b                   7.413(2)
_cell_length_c                   14.152(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     1562.9(14)
_diffrn_measurement_device       'Philips Pw1100'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.104
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2309
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        10
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.91
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'brick red'
_exptl_crystal_density_diffrn    2.31
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.78
_refine_diff_density_min         -2.89
_refine_ls_goodness_of_fit_obs   1.2
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     79
_refine_ls_number_reflns         1191
_refine_ls_R_factor_obs          0.074
_refine_ls_shift/esd_max         0.273
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0065F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.077
_reflns_number_observed          1191
_reflns_number_total             1316
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            na1063.cif
_cod_data_source_block           na1063_structure_1_of_1
_cod_depositor_comments
;
 Correcting space group symmetry operation list:
 1) Adding symmetry operations that are required by the '-C 2yc' space group:
    -x+1/2,-y+1/2,-z
    -x,-y,-z
    -x,y,-z+1/2
    x+1/2,-y+1/2,z+1/2
    x+1/2,y+1/2,z
    x,-y,z+1/2

 Adding the space group number.

 Antanas Vaitkus,
 2017-07-20

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0065F^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) +
0.0065F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C6 H8 Br2 Cl4 N4 Pd1'
_cod_database_code               2009982