Re-Examination Shows that Copper(II) Tetrachloroaluminium, Cu(AlCl~4~)~2~, is Monoclinic and not Triclinic as Originally Stated
Herbstein, F. H.; Kapon, M.; Acta Crystallographica Section C 51 (1995) 1739–1741; doi:10.1107/S0108270195005865

data_2003924
_publ_section_title
;
 Re-Examination Shows that Copper(II) Tetrachloroaluminium,
 Cu(AlCl~4~)~2~, is Monoclinic and not Triclinic as Originally Stated
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1739
_journal_page_last               1741
_journal_paper_doi               10.1107/S0108270195005865
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
;
Preparation by Kitajima et al. (1982)
;
_chemical_formula_moiety         'Al2 Cl8 Cu'
_chemical_formula_sum            'Al2 Cl8 Cu'
_chemical_formula_weight         401.10
_chemical_name_systematic
;
copper(II) tetrachloroaluminium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 94.03(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.582(6)
_cell_length_b                   7.362(5)
_cell_length_c                   12.265(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      'high angle'
_cell_volume                     592.9(7)
_computing_publication_material  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'XSEN (Takenaka, 1980)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Rigaku computer-controlled'
_diffrn_measurement_method       \w-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  0.1166
_diffrn_reflns_av_sigmaI/netI    0.0894
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2274
_diffrn_reflns_theta_max         30.98
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        'Not significant'
_diffrn_standards_interval_count 100
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    3.732
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.247
_exptl_crystal_density_meas      2.25
_exptl_crystal_density_method    'flotation in CCl~4~/CH~2~Br~2~'
_exptl_crystal_description       'fine prisms'
_exptl_crystal_F_000             382
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.43
_refine_diff_density_min         -1.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.476
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.476
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_obs          0.0848
_refine_ls_shift/esd_max         -0.144
_refine_ls_shift/esd_mean        0.034
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.3248P)^2^ + 19.31P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.2396
_reflns_number_observed          1141
_reflns_number_total             1218
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            md1003.cif
_cod_data_source_block           AlClCu
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003924