Dichloro(ethylenediamine)platinum(II)
Ellis, L.T.; Hambley, T.W.; Acta Crystallographica Section C 50 (1994) 1888–1889; doi:10.1107/S0108270194006840

data_2010331
_publ_section_title
;
 Dichloro(ethylenediamine)platinum(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1888
_journal_page_last               1889
_journal_paper_doi               10.1107/S0108270194006840
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C2 H8 Cl2 N2 Pt1'
_chemical_formula_sum            'C2 H8 Cl2 N2 Pt'
_chemical_formula_weight         326.08
_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, SHELX76 (Sheldrick, 1976) and SDP (Enraf-Nonius, 1985).'
_cell_angle_alpha                83.22(4)
_cell_angle_beta                 68.64(4)
_cell_angle_gamma                68.70(3)
_cell_formula_units_Z            2
_cell_length_a                   6.549(2)
_cell_length_b                   6.918(3)
_cell_length_c                   8.040(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     316.0(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1192
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    23.17
_exptl_absorpt_correction_T_max  0.639
_exptl_absorpt_correction_T_min  0.215
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.43
_exptl_crystal_description       needles
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.009
_refine_diff_density_max         1.6
_refine_diff_density_min         -1.2
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.03
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     67
_refine_ls_number_reflns         1010
_refine_ls_R_factor_obs          0.020
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 0.87/[\s^2^(F~o~) + 0.00045F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.024
_reflns_number_observed          1010
_reflns_number_total             1073
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            oh1064.cif
_cod_data_source_block           oh1064a
_cod_depositor_comments
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 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 0.87/[\s^2^(F~o~) +
0.00045F~o~^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 0.87/[\s^2^(F~o~) + 0.00045F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C2 H8 Cl2 N2 Pt1'
_cod_database_code               2010331