Bis(4-hydroxymethyl-1,5-dimethylimidazole-<i>N</i>^3^)gold(I) chloride
Lock, C. J. L.; Wang, Z.; Acta Crystallographica Section C 49 (1993) 1330–1333; doi:10.1107/S0108270193000848

data_2001525
_publ_section_title
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 Bis(4-hydroxymethyl-1,5-dimethylimidazole-<i>N</i>^3^)gold(I) chloride
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1330
_journal_page_last               1333
_journal_paper_doi               10.1107/S0108270193000848
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H20 Au Cl N4 O2'
_chemical_formula_weight         484.7
_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
_cell_angle_alpha                90
_cell_angle_beta                 104.190(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1150(10)
_cell_length_b                   13.9980(10)
_cell_length_c                   13.9190(10)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    294.0(10)
_cell_measurement_theta_max      12.45
_cell_measurement_theta_min      4.85
_cell_volume                     1532.9(2)
_diffrn_measurement_device       'Siemens P4 (rotating)'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       2
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2790
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        +-1.7
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.779
_exptl_absorpt_correction_T_max  0.0657
_exptl_absorpt_correction_T_min  0.0362
_exptl_absorpt_correction_type   'empirical \y scans'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.101
_exptl_crystal_density_meas      2.120(10)
_exptl_crystal_density_method    'suspension in CCl~4~/CHBr~3~'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     'not applied'
_refine_ls_goodness_of_fit_obs   1.81
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     190
_refine_ls_R_factor_obs          0.0440
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s~F~)^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          2547
_reflns_number_total             2547
_reflns_observed_criterion       I>=-3\s~I~
_cod_data_source_file            br1023.cif
_cod_data_source_block           br1023_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s~F~)^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~F~)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1532.8(2)
_cod_original_formula_sum        'C12 H20 Au1 Cl1 N4 O2'
_cod_database_code               2001525