Synthèse et structure du tétrachloroplatinate(II) de pyrido[2,3-<i>h</i>]pyrrolo[1,2-<i>a</i>]quinoxalinium monohydrate, [C~14~H~11~N~3~][PtCl~4~].H~2~O
Viossat, B.; Nguyen-Huy, D.; Daran, J.C.; Lancelot, J.C.; Acta Crystallographica Section C 50 (1994) 209–211; doi:10.1107/S0108270193006237

data_2009446
_publ_section_title
;
 Synth\`ese et structure du t\'etrachloroplatinate(II) de
 pyrido[2,3-<i>h</i>]pyrrolo[1,2-<i>a</i>]quinoxalinium monohydrate,
 [C~14~H~11~N~3~][PtCl~4~].H~2~O
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              209
_journal_page_last               211
_journal_paper_doi               10.1107/S0108270193006237
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H13 Cl4 N3 O Pt'
_chemical_formula_weight         576.18
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for X-ray Crystallography (1974, Tome IV, Tableau 2.2B)'
_cell_angle_alpha                79.950(10)
_cell_angle_beta                 80.15(2)
_cell_angle_gamma                72.270(10)
_cell_formula_units_Z            2
_cell_length_a                   7.977(2)
_cell_length_b                   8.4750(10)
_cell_length_c                   13.103(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      14.6
_cell_volume                     824.2(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       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            '2899 (unique)'
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 100
_diffrn_standards_number         '2 (\=341 et 3\=2\=6)'
_exptl_absorpt_coefficient_mu    9.26
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'jaune p\^ale'
_exptl_crystal_density_diffrn    2.32
_exptl_crystal_density_meas      2.30
_exptl_crystal_density_method    'Flottement dans ?'
_exptl_crystal_description       parall\'el\'epip\'edique
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_min
; Aucun r\'esidu significatif sur la s\'erie de Fourier des
diff\'erences
;
_refine_ls_goodness_of_fit_obs   1.8
_refine_ls_number_parameters     281
_refine_ls_number_reflns         2617
_refine_ls_R_factor_obs          0.021
_refine_ls_shift/esd_max         0.18
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.023
_reflns_number_observed          2617
_reflns_number_total             2899
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1041.cif
_cod_data_source_block           du1041_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        824(4)
_cod_original_formula_sum        'C14 H13 Cl4 N3 O1 Pt1'
_cod_database_code               2009446