Diamminechloro(5-oxoprolinato)platine(II)
Viossat, B.; Khodadad, P.; Rodier, N.; Acta Crystallographica Section C 49 (1993) 1370–1372; doi:10.1107/S0108270193000046

data_2001542
_publ_section_title
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 Diamminechloro(5-oxoprolinato)platine(II)
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1370
_journal_page_last               1372
_journal_paper_doi               10.1107/S0108270193000046
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C5 H11 Cl N3 O3 Pt'
_chemical_formula_weight         391.7
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                   6.975(2)
_cell_length_b                   7.482(3)
_cell_length_c                   19.122(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      16.51
_cell_measurement_theta_min      6.93
_cell_volume                     997.9(6)
_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       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1413
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        ' -1.9%; correction de d\'ecroissance'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.5
_exptl_absorpt_correction_T_max  0.467
_exptl_absorpt_correction_T_min  0.055
_exptl_absorpt_correction_type   'analytical, integration'
_exptl_crystal_colour            Incolore
_exptl_crystal_density_diffrn    2.61
_exptl_crystal_density_meas      2.54(3)
_exptl_crystal_description       Parall\'el\'epip\'edique
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.9
_refine_diff_density_min         -1.1
_refine_ls_extinction_coef       'g = 4.2(2) x 10^-7^'
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.48
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1185
_refine_ls_R_factor_obs          0.027
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          1185
_reflns_number_total             1413
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            du1027.cif
_cod_data_source_block           du1027_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\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/\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        998.0(10)
_cod_database_code               2001542