Isotypie Entre les Structures Cristallines des Tétrachlorocuprate(II) et Tétrachloropalladate(II) de <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium)
Viossat, B.; Nguyen-Huy, D.; Rodier, N.; Acta Crystallographica Section C 51 (1995) 628–629; doi:10.1107/S0108270194007432

data_2003394
_publ_section_title
;
 Isotypie Entre les Structures Cristallines des
 T\'etrachlorocuprate(II) et T\'etrachloropalladate(II) de
 <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              628
_journal_page_last               629
_journal_paper_doi               10.1107/S0108270194007432
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        ' \'evaporation d'une solution aqueuse'
_chemical_formula_moiety         'C10 H24 N4 S2,Cl4 Pd1'
_chemical_formula_sum            'C10 H24 Cl4 N4 Pd S2'
_chemical_formula_weight         512.67
_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_type_scat_source           IntTabIV
_cell_angle_alpha                99.48(1)
_cell_angle_beta                 93.84(1)
_cell_angle_gamma                117.02(2)
_cell_formula_units_Z            1
_cell_length_a                   7.799(1)
_cell_length_b                   8.132(2)
_cell_length_c                   8.823(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.34
_cell_measurement_theta_min      7.47
_cell_volume                     485.24(17)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\=\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1897
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        '4.4 (correction de d\'ecroissance)'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.705
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Jaune orang\'e'
_exptl_crystal_density_diffrn    1.75
_exptl_crystal_density_meas      1.76
_exptl_crystal_description       Aiguille
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.39(7)
_refine_diff_density_min         -0.44(7)
_refine_ls_extinction_coef       3.5E-7(4)
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.17
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1654
_refine_ls_R_factor_obs          0.023
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(1 + 0.01F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.029
_reflns_number_observed          1654
_reflns_number_total             1897
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            pa1105.cif
_cod_data_source_block           pa1105a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/(1 + 0.01F)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/(1 + 0.01F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        485.3(3)
_cod_original_formula_sum        'C10 H24 Cl4 N4 Pd1 S2'
_cod_database_code               2003394