Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). II. Tétrachloroplatinate(II) de <i>S</i>,<i>S</i>'-(butane-1,4-diyle)bis(thiouronium) monohydrate
Nguyen-Huy Dung; Rodier, N.; Viossat, B.; Lancelot, J.C.; Acta Crystallographica Section C 50 (1994) 1574–1576; doi:10.1107/S010827019400168X

data_2010120
_publ_section_title
;
 Sels de <i>S</i>,<i>S</i>'-(alcane-\a,\w-diyle)bis(thiouronium). II.
 T\'etrachloroplatinate(II) de
 <i>S</i>,<i>S</i>'-(butane-1,4-diyle)bis(thiouronium) monohydrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1574
_journal_page_last               1576
_journal_paper_doi               10.1107/S010827019400168X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C6 H18 Cl4 N4 O Pt S2'
_chemical_formula_weight         563.3
_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                98.28(2)
_cell_angle_beta                 119.64(2)
_cell_angle_gamma                113.26(2)
_cell_formula_units_Z            1
_cell_length_a                   7.709(3)
_cell_length_b                   7.333(2)
_cell_length_c                   10.819(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    292
_cell_measurement_theta_max      16.90
_cell_measurement_theta_min      9.06
_cell_volume                     442.1(3)
_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       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1723
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        'non significative'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.85
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orang\'ee
_exptl_crystal_density_diffrn    2.12
_exptl_crystal_density_meas      2.16
_exptl_crystal_density_method    'flottaison dans ?'
_exptl_crystal_description       plaquette
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.7(2)
_refine_diff_density_min         -1.7(2)
_refine_ls_extinction_coef       5E-7(1)
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.54
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     89
_refine_ls_number_reflns         1703
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          1703
_reflns_number_total             1723
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            pa1087.cif
_cod_data_source_block           pa1087a
_cod_depositor_comments
;
 Added _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-09

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' 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~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        442.1(4)
_cod_database_code               2010120