Novel Au(iii) complexes of aminoquinoline derivatives: crystal structure, DNA binding and cytotoxicity against melanoma and lung tumour cellsElectronic supplementary information (ESI) available: UV spectra of 3, 3 + NaCl, and 1 + calf thymus DNA; fluorescence spectra of the CT-DNA-EB system with increasing amounts of 1 or 3. See http://www.rsc.org/suppdata/dt/b3/b305109a/
Yang, Ting; Tu, Chao; Zhang, Junyong; Lin, Liping; Zhang, Xianming; Liu, Qin; Ding, Jian; Xu, Qiang; Guo, Zijian; Dalton Transactions  (2003) 3419–; doi:10.1039/b305109a

data_7013169
_publ_section_title
;
 Novel Au(iii) complexes of aminoquinoline derivatives: crystal
 structure, DNA binding and cytotoxicity against melanoma and lung
 tumour cellsElectronic supplementary information (ESI) available: UV
 spectra of 3, 3 + NaCl, and 1 + calf thymus DNA; fluorescence spectra
 of the CT-DNA-EB system with increasing amounts of 1 or 3. See
 http://www.rsc.org/suppdata/dt/b3/b305109a/
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3419
_journal_paper_doi               10.1039/b305109a
_journal_year                    2003
_chemical_formula_sum            'C12 H12 Au Cl2 N3 O'
_chemical_formula_weight         482.11
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6540(10)
_cell_length_b                   9.262(2)
_cell_length_c                   22.169(4)
_cell_measurement_reflns_used    1419
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.97
_cell_measurement_theta_min      1.84
_cell_volume                     1366.3(4)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        'SHELXTL(Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       '2\q/\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1419
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        7.03
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.152
_exptl_absorpt_correction_T_max  0.188
_exptl_absorpt_correction_T_min  0.146
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.635
_refine_diff_density_min         -2.915
_refine_diff_density_rms         0.517
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         1419
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2200P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2143
_refine_ls_wR_factor_ref         0.2800
_reflns_number_gt                1153
_reflns_number_total             1419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b305109a.txt
_cod_data_source_block           tt
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Orthohombic' was replaced with
'orthorhombic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7013169