<i>trans</i>-Dicyanobis(1,3,5-triaza-7-phosphaadamantane)platinum(II), [(TPA)~2~Pt(CN)~2~]
Assefa, Z.; McBurnett, B. G.; Staples, R. J.; Fackler, Jnr, J. P.; Acta Crystallographica Section C 51 (1995) 1742–1743; doi:10.1107/S0108270195002915

data_2003890
_publ_section_title
;
 <i>trans</i>-Dicyanobis(1,3,5-triaza-7-phosphaadamantane)platinum(II),
 [(TPA)~2~Pt(CN)~2~]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1742
_journal_page_last               1743
_journal_paper_doi               10.1107/S0108270195002915
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C14 H24 N8 P2 Pt'
_chemical_formula_weight         561.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 97.08(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.194(1)
_cell_length_b                   11.741(2)
_cell_length_c                   10.630(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      30
_cell_measurement_theta_min      20
_cell_volume                     891.0(3)
_diffrn_measurement_device       'Siemens R3m/E'
_diffrn_measurement_method       Wyckoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1353
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.149
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.362
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         '1.38 (near Pt)'
_refine_diff_density_min         -2.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.13
_refine_ls_hydrogen_treatment    'H atoms riding with C---H = 0.96\%A'
_refine_ls_number_parameters     114
_refine_ls_number_reflns         996
_refine_ls_R_factor_obs          0.0331
_refine_ls_shift/esd_max         -0.016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.0012F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0442
_reflns_number_observed          996
_reflns_number_total             1169
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            fg1042.cif
_cod_data_source_block           fg1042a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~) +
0.0012F~o~^2^]' 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~o~) + 0.0012F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        890.97
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003890