Tribenzylammonium dibenzylammonium tetrachlorocuprate
Zeng, G.-F.; Qin, M.; Lin, Y.-H.; Xi, S.-Q.; Acta Crystallographica, Section C: Crystal Structure Communications 50 (1994) 200–202; doi:10.1107/S0108270193007735

data_2009464
_publ_section_title
;
 Tribenzylammonium dibenzylammonium tetrachlorocuprate
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           MU1039
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              200
_journal_page_last               202
_journal_paper_doi               10.1107/S0108270193007735
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C35 H38 Cl4 Cu1 N2'
_chemical_formula_sum            'C35 H38 Cl4 Cu N2'
_chemical_formula_weight         692.05
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_audit_creation_date             92-12-18
_audit_creation_method           'IUCr checking CIFGEN version 1.4'
_cell_angle_alpha                90.
_cell_angle_beta                 102.65(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.823(5)
_cell_length_b                   14.433(5)
_cell_length_c                   20.857(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      2.3
_cell_volume                     3473(2)
_diffrn_measurement_device       'Nicolet R3m/E'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.07
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            5536
_diffrn_reflns_theta_max         48
_diffrn_standards_decay_%        +-2
_diffrn_standards_interval_time  70
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.956
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.598
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'brownish yellow'
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_description       lamina
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.27
_refine_ls_goodness_of_fit_obs   XX
_refine_ls_number_parameters     379
_refine_ls_number_reflns         2132
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F)]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.053
_reflns_number_observed          2132
_reflns_number_total             4420
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1039.cif
_cod_data_source_block           mu1039_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = [\s^2^(F)]^-1^' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = [\s^2^(F)]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3472.7
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C35 H38 Cl4 Cu1 N2'
_cod_database_code               2009464
_chemical_formula_iucr           '(C21 H22 N1) ,(C14 H16 N1) ,[Cu1 Cl4]'