Tetraethylammonium tetrachlorocuprate(II), [N(C~2~H~5~)~4~]~2~[CuCl~4~]
Kawata, T.; Aoyama, T.; Ohba, S.; Acta Crystallographica Section C 49 (1993) 137–139; doi:10.1107/S0108270192009065

data_2002086
_publ_section_title
;
 Tetraethylammonium tetrachlorocuprate(II),
 [N(C~2~H~5~)~4~]~2~[CuCl~4~]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              137
_journal_page_last               139
_journal_paper_doi               10.1107/S0108270192009065
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C8 H20 N1),Cl4 Cu1'
_chemical_formula_sum            'C16 H40 Cl4 Cu N2'
_chemical_formula_weight         465.86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.984(3)
_cell_length_b                   13.984(3)
_cell_length_c                   12.232(5)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    120.0(10)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     2392.0(12)
_diffrn_measurement_device       'Rigaku AFC-5 four circle'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2969
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0.982-1.008
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.368
_exptl_absorpt_correction_T_max  0.822
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            Orange-red
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.868
_refine_diff_density_min         -1.254
_refine_ls_goodness_of_fit_obs   3.62
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     83
_refine_ls_number_reflns         1172
_refine_ls_R_factor_obs          0.107
_refine_ls_shift/esd_max         0.365
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.083
_reflns_number_observed          1172
_reflns_number_total             2752
_reflns_observed_criterion       |F~o~|>3\s(|F~o~|)
_cod_data_source_file            as1014.cif
_cod_data_source_block           as1014_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s' was changed to 'calc'. New
tag '_refine_ls_weighting_details' was created. The value of the new
tag was set to 'w = 1/\s'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2392.0(10)
_cod_original_sg_symbol_Hall     'P 4a'
_cod_original_formula_sum        'C16 H40 Cl4 Cu1 N2'
_cod_database_code               2002086