Imidazole-based phosphane gold(I) complexes as potential agents for cancer treatment: Synthesis, structural studies and antitumour activity
Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Spingler, Bernhard; Dalton Transactions  (2009) 7741–7747; doi:10.1039/b902748c

data_7002243
_publ_section_title
;
 Imidazole-based phosphane gold(I) complexes as potential agents for
 cancer treatment: Synthesis, structural studies and antitumour
 activity
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7741
_journal_page_last               7747
_journal_paper_doi               10.1039/b902748c
_journal_year                    2009
_chemical_formula_sum            'C36 H58 Au2 Cl2 N12 O P2'
_chemical_formula_weight         1201.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 98.865(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.0300(16)
_cell_length_b                   10.1183(8)
_cell_length_c                   27.197(2)
_cell_measurement_reflns_used    7768
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.35
_cell_measurement_theta_min      2.3
_cell_volume                     4902.4(7)
_computing_cell_refinement       'IPDS (Stoe, 1999)'
_computing_data_collection       'IPDS (Stoe, 1999)'
_computing_data_reduction        'X-RED (Stoe, 1999)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '\f oscillation scan'
_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  0.1352
_diffrn_reflns_av_sigmaI/netI    0.1746
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            31186
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.29
_diffrn_standards_interval_count 'every image'
_diffrn_standards_interval_time  18
_diffrn_standards_number         50-200
_exptl_absorpt_coefficient_mu    6.192
_exptl_absorpt_correction_T_max  0.735
_exptl_absorpt_correction_T_min  0.293
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   delabs
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.229
_refine_diff_density_min         -1.939
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4322
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.1337
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0588P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1616
_reflns_number_gt                2131
_reflns_number_total             4322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902748c.txt
_cod_data_source_block           opus_710
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C36 H58 Au2 Cl2 N12 O1 P2'
_cod_database_code               7002243