Platinum(II) triamine complexes: <i>cis</i>-[PtCl(NH~3~)~2~(C~10~H~13~N~5~O~5~)]NO~3~.2H~2~O and [PtCl(C~2~H~8~N~2~)(C~4~H~6~N~2~)]NO~3~
Georgia M. Arvanitis; Dan Gibson; Thomas J. Emge; Helen M. Berman; Acta Crystallographica Section C 50 (1994) 1217–1220; doi:10.1107/S010827019301073X

data_2009938
_publ_section_title
;
 Platinum(II) triamine complexes:
 <i>cis</i>-[PtCl(NH~3~)~2~(C~10~H~13~N~5~O~5~)]NO~3~.2H~2~O and
 [PtCl(C~2~H~8~N~2~)(C~4~H~6~N~2~)]NO~3~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1217
_journal_page_last               1220
_journal_paper_doi               10.1107/S010827019301073X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H23 Cl N8 O10 Pt'
_chemical_formula_weight         645.88
_chemical_name_systematic
;
 chloro-cis-diammine(guanosine-N^7^)platinum(II) nitrate
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.988(5)
_cell_length_b                   17.760(8)
_cell_length_c                   15.929(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      10.0
_cell_volume                     1976.9(19)
_computing_cell_refinement       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989) '
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_publication_material  'locally written'
_computing_structure_refinement  'SHELX76 (Sheldrick, 1976)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       ' \w/2\q'
_diffrn_radiation_monochromator  'oriented graphite (0,0,2)'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7173
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6332
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.62
_exptl_absorpt_correction_T_max  0.5630
_exptl_absorpt_correction_T_min  0.6813
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.170
_exptl_crystal_description       lathe
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.5
_refine_diff_density_min         -0.4
_refine_ls_goodness_of_fit_all   1.173
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3898
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.073
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.175/[\s^2^(F) + 0.0009F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.052
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          3898
_reflns_number_total             5081
_reflns_observed_criterion       refl_observed_if_F_>_4.0_sigma(F)
_cod_data_source_file            cd1054.cif
_cod_data_source_block           CompoundI
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1.175/[\s^2^(F) +
0.0009F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1.175/[\s^2^(F) + 0.0009F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1978(2)
_cod_database_code               2009938