Structure of bis[pentaamminechloroiridium(III)] hexachloroplatinate(IV) dichloride
Garnier, E.; Acta Crystallographica Section C 49 (1993) 578–580; doi:10.1107/S0108270192009909

data_2001903
_publ_section_title
;
 Structure of bis[pentaamminechloroiridium(III)]
 hexachloroplatinate(IV) dichloride
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              578
_journal_page_last               580
_journal_paper_doi               10.1107/S0108270192009909
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cl10 H30 Ir2 N10 Pt'
_chemical_formula_weight         1104.35
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 99.435(15)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   11.243(2)
_cell_length_b                   7.8935(16)
_cell_length_c                   13.406(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      17.54
_cell_measurement_theta_min      6.65
_cell_volume                     1173.6(4)
_computing_molecular_graphics    'MACORTEP (Michalowicz & Andre, 1991)'
_computing_structure_refinement  'SHELX76 (Sheldrick, 1976)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_measurement_device       CAD-4L
_diffrn_measurement_method
;
\w/2\q scans [width 1.0 + 0.35tan\q]\%
;
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            3962
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        <2\s(I)
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    18.43
_exptl_absorpt_correction_T_max
;
\f 1.203, \q 1.037
;
_exptl_absorpt_correction_T_min
;
\f 0.866, \q 0.905
;
_exptl_absorpt_correction_type
;
empirical (ABSORB; Ugozzoli, 1987; DIFABS; Walker & Stuart, 1983)
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    3.127
_exptl_crystal_density_meas      3.13
_exptl_crystal_density_method    flotation?
_exptl_crystal_description       Prismatic
_exptl_crystal_size_max          0.117
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.081
_refine_diff_density_max         3.17
_refine_diff_density_min         -2.10
_refine_ls_goodness_of_fit_obs   1.171
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     88
_refine_ls_number_reflns         2489
_refine_ls_R_factor_obs          0.0290
_refine_ls_shift/esd_max         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0939/[\s^2^(F) + 0.000075(F^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0354
_reflns_number_observed          2489
_reflns_number_total             3822
_reflns_observed_criterion       F>6.0\s(F)
_cod_data_source_file            du1021.cif
_cod_data_source_block           du1021_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1.0939/[\s^2^(F) +
0.000075(F^2^)]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1.0939/[\s^2^(F) + 0.000075(F^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'H30 Cl10 Ir2 N10 Pt1'
_cod_database_code               2001903