Human cancerous and healthy cell cytotoxicity studies of a chiral μ-dicarbene-digold(I) metallamacrocycle.
Mullick, Amrita B.; Chang, Yun Min; Ghiviriga, Ion; Abboud, Khalil A.; Tan, Weihong; Veige, Adam S.; Dalton transactions (Cambridge, England : 2003) 42 (2013) 7440–7446; doi:10.1039/c3dt32844a

data_7022677
_publ_section_title
;
 Human cancerous and healthy cell cytotoxicity studies of a chiral
 \m-dicarbene-digold(I) metallamacrocycle.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7440
_journal_page_last               7446
_journal_paper_doi               10.1039/c3dt32844a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C118 H92 Au2 F6 N8 O6 S2'
_chemical_formula_weight         2290.05
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-01-16 # Formatted by publCIF
;
_cell_angle_alpha                89.901(3)
_cell_angle_beta                 85.951(3)
_cell_angle_gamma                71.067(3)
_cell_formula_units_Z            2
_cell_length_a                   13.0697(6)
_cell_length_b                   18.4567(8)
_cell_length_c                   25.6633(11)
_cell_measurement_reflns_used    9422
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.38
_cell_volume                     5839.6(5)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega 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  0.0981
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            181309
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.65
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.608
_exptl_absorpt_correction_T_max  0.7589
_exptl_absorpt_correction_T_min  0.4648
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         2.485
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1223
_refine_ls_number_reflns         26807
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      19.168
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0448P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0862
_reflns_number_gt                20288
_reflns_number_total             26807
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c3dt32844a.txt
_cod_data_source_block           amul1
_cod_original_cell_volume        5839.6(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022677