Structure of dibromobis(2-chloroimidazole)copper(II)
Valle, G.; Sánchez González, A.; Ettorre, R.; Acta Crystallographica Section C 49 (1993) 1298–1300; doi:10.1107/S0108270193001209

data_2001508
_publ_section_title
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 Structure of dibromobis(2-chloroimidazole)copper(II)
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1298
_journal_page_last               1300
_journal_paper_doi               10.1107/S0108270193001209
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H6 Br2 Cl2 Cu N4'
_chemical_formula_weight         428.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'SHELX76 and IntTabIV'
_cell_angle_alpha                90
_cell_angle_beta                 91.00(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2770(10)
_cell_length_b                   12.720(2)
_cell_length_c                   11.887(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      7
_cell_volume                     1251.3(3)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.13
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3002
_diffrn_reflns_theta_max         56.0
_diffrn_standards_decay_%        <10
_diffrn_standards_interval_count 180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.9
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.27
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         '2.8 (near Br)'
_refine_diff_density_min         '-3.0 (near Br)'
_refine_ls_goodness_of_fit_obs   0.83
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     69
_refine_ls_number_reflns         1197
_refine_ls_R_factor_obs          0.074
_refine_ls_shift/esd_max         0.192
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0136F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.076
_reflns_number_observed          1197
_reflns_number_total             1508
_reflns_observed_criterion       F>7\s(F)
_cod_data_source_file            na1027.cif
_cod_data_source_block           na1027_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Room temperature' was changed
to '295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Room temperature' was changed
to '295(2)' - the room/ambient temperature average [293;298] in
Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0136F^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^2^(F)+0.0136F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_formula_sum        'C6 H6 Br2 Cl2 Cu1 N4'
_cod_database_code               2001508