[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)
Crossley, J. G.; Orpen, A. G.; Acta Crystallographica Section C 51 (1995) 1102–1105; doi:10.1107/S0108270194014587

data_2003583
_publ_section_title
;
 [<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1102
_journal_page_last               1105
_journal_paper_doi               10.1107/S0108270194014587
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'Et~2~O/MeCN solvent diffusion'
_chemical_formula_moiety         'C8 H12 F12 N4 P2 Pd'
_chemical_formula_sum            'C8 H12 F12 N4 P2 Pd'
_chemical_formula_weight         560.5
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.434(2)
_cell_length_b                   9.434(2)
_cell_length_c                   11.270(3)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      5
_cell_volume                     1003.0(4)
_diffrn_measurement_device       'Siemens P3m'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0144
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1138
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        +-1
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.17
_exptl_absorpt_correction_T_max  0.455
_exptl_absorpt_correction_T_min  0.385
_exptl_absorpt_correction_type   'Empirical (azimuthal scan)'
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_description       'regular block'
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.45
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.817
_refine_ls_hydrogen_treatment
'H atoms riding with C-H = 0.96 \%A and U(H) ='
_refine_ls_number_parameters     46
_refine_ls_number_reflns         424
_refine_ls_R_factor_obs          0.0289
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s~c~^2^(F)+0.0005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0466
_reflns_number_observed          424
_reflns_number_total             510
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            mu1154.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s~c~^2^(F)+0.0005F^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~c~^2^(F)+0.0005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        ' C8 H12 F12 N4 P2 Pd1 '
_cod_database_code               2003583