[Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8), 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O
Khodadad, P.; Rodier, N.; Acta Crystallographica Section C 50 (1994) 46–48; doi:10.1107/S0108270193005979

data_2009380
_publ_section_title
;
 [Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8),
 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              46
_journal_page_last               48
_journal_paper_doi               10.1107/S0108270193005979
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C30 H61 N9 O26 Pt3'
_chemical_formula_weight         1549.1
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   21.226(3)
_cell_length_b                   21.226(3)
_cell_length_c                   14.306(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      17.29
_cell_measurement_theta_min      7.68
_cell_volume                     5581.9(14)
_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       '22 (h>=k)'
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2153
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        n\'egligeables
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.66
_exptl_absorpt_correction_T_max  1.616!
_exptl_absorpt_correction_T_min  0.714!
_exptl_absorpt_correction_type   empiriques
_exptl_crystal_colour            incolore
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_description       'prisme hexagonal irr\'egulier'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.1(2)
_refine_diff_density_min         -2.1(2)
_refine_ls_goodness_of_fit_obs   1.32
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     206
_refine_ls_number_reflns         1399
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.02
_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         0.051
_reflns_number_observed          1399
_reflns_number_total             2153
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            du1047.cif
_cod_data_source_block           du1047_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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 
;
_cod_original_cell_volume        5582(2)
_cod_original_sg_symbol_Hall     'P 6c 2 (0 0 3)'
_cod_database_code               2009380