Dimethylammonium Trichloropalladate
Eric S. Raper; Maria Kubiak; Tadeusz Głowiak; Acta Crystallographica Section C 53 (1997) 1201–1204; doi:10.1107/S010827019700379X

data_2006515
_publ_section_title
;
 Dimethylammonium Trichloropalladate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1201
_journal_page_last               1204
_journal_paper_doi               10.1107/S010827019700379X
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         '[NH2 (CH3)2] [PdCl3]'
_chemical_formula_sum            'C2 H8 Cl3 N Pd'
_chemical_formula_weight         258.84
_chemical_name_systematic
;
 dimethylammonium trichloropalladate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 91.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.802(2)
_cell_length_b                   13.221(3)
_cell_length_c                   7.1420(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     736.5(3)
_computing_cell_refinement       XTL/XTLE
_computing_data_collection       'XTL/XTLE (Syntex, 1976)'
_computing_data_reduction        XTL/XTLE
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Syntex P2~1~ diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1119
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.498
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_meas      2.30
_exptl_crystal_density_method    'flotation in C~2~H~4~Br~2~/CHBr~3~'
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.18
_refine_diff_density_min         -1.36
_refine_ls_extinction_coef       0.0046(6)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   1.192
_refine_ls_goodness_of_fit_obs   1.257
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1066
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.192
_refine_ls_restrained_S_obs      1.257
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_obs          .0267
_refine_ls_shift/esd_max         0.202
_refine_ls_shift/esd_mean        0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0348P)^2^+0.4125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0673
_refine_ls_wR_factor_obs         .0652
_reflns_number_observed          908
_reflns_number_total             1066
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            mu1264.cif
_cod_data_source_block           PdCl3
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2006515