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_7002241
_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            'C18 H27 Au Cl3 N6 P Zn'
_chemical_formula_weight         727.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 103.73(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.769(8)
_cell_length_b                   11.527(5)
_cell_length_c                   20.734(9)
_cell_measurement_temperature    293(2)
_cell_volume                     3661(3)
_computing_cell_refinement       'CrysAlis RED (KUMA Diffraction, 2000b)'
_computing_data_collection       'CrysAlis CCD (KUMA Diffraction, 2000a)'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'STADI CCD (STOE & Cie)'
_diffrn_measurement_method       '\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  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            42812
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         5.12
_exptl_absorpt_coefficient_mu    4.933
_exptl_absorpt_correction_type   non
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'brick shaped'
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_platon_squeeze_details
;
;
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.640
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         6392
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1301P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1887
_refine_ls_wR_factor_ref         0.2022
_reflns_number_gt                4090
_reflns_number_total             6392
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902748c.txt
_cod_data_source_block           klunker
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7002241