Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II)
Garnier, E.; Bele, M.; Acta Crystallographica Section C 49 (1993) 2066–2067; doi:10.1107/S0108270193005037

data_2001134
_publ_section_title
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 Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2066
_journal_page_last               2067
_journal_paper_doi               10.1107/S0108270193005037
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cl5 H15 Ir N5 Pt'
_chemical_formula_weight         649.73
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   16.563(2)
_cell_length_b                   8.1110(10)
_cell_length_c                   9.458(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      15.35
_cell_measurement_theta_min      9.45
_cell_volume                     1270.6(3)
_diffrn_measurement_device       CAD-4L
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6183
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        <2\s(I)
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    22.57
_exptl_absorpt_correction_T_max  '1.398 (\f), 1.085 (\q)'
_exptl_absorpt_correction_T_min  '0.789 (\f), 0.982 (\q)'
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    3.396
_exptl_crystal_description       Prismatic
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.094
_refine_diff_density_max         1.91
_refine_diff_density_min         -2.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.537
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1884
_refine_ls_R_factor_obs          0.0282
_refine_ls_shift/esd_max         0.059
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.1433/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0302
_reflns_number_observed          1884
_reflns_number_total             2485
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            du1026.cif
_cod_data_source_block           du1026_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1.1433/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1.1433/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1270.7(3)
_cod_original_formula_sum        'H15 Cl5 Ir N5 Pt'
_cod_database_code               2001134