A Biologically Active Gold Complex: Trichloro[(2-pyridyl)methanol-<i>N</i>]gold(III)
Bruni, B.; Ferraroni, M.; Orioli, P.; Speroni, G.; Acta Crystallographica Section C 52 (1996) 1423–1424; doi:10.1107/S0108270195008067

data_2005037
_publ_section_title
;
 A Biologically Active Gold Complex:
 Trichloro[(2-pyridyl)methanol-<i>N</i>]gold(III)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1423
_journal_page_last               1424
_journal_paper_doi               10.1107/S0108270195008067
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H7 Au Cl3 N O'
_chemical_formula_weight         412.43
_space_group_IT_number           14
_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           'SHELXTL-Plus (Sheldrick, 1990)'
_cell_angle_alpha                90
_cell_angle_beta                 96.58(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.826(2)
_cell_length_b                   14.606(4)
_cell_length_c                   8.830(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      23
_cell_measurement_theta_min      17
_cell_volume                     1002.7(5)
_computing_cell_refinement       'Nonius CAD-4 software'
_computing_data_collection       'Nonius CAD-4 software'
_computing_data_reduction        'Nonius CAD-4 software'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material
;
WINWORD
;
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2406
_diffrn_reflns_theta_max         26.9
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 400
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    15.4
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   '\y scans'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.727
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         3.1
_refine_diff_density_min         -3.3
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.265
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     113
_refine_ls_number_reflns         2180
_refine_ls_R_factor_obs          0.0515
_refine_ls_shift/esd_max         0.074
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F~o~^2^) + (0.0738P)^2^ + 1.51P]
where P = [max(F~o~^2^,0) + 2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.1410
_reflns_number_observed          1796
_reflns_number_total             2180
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            na1179.cif
_cod_data_source_block           na1179a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005037