A Novel Cyclic Dinuclear Gold(I) Complex Induces Anticancer Activity via Oxidative Stress-Mediated Intrinsic Apoptotic Pathway in MDA-MB-231 Cancer Cells
Abogosh , Ahmed K.; Alghanem, Meshal; Ahmad, Saeed; Alasmari, Abdullah; As Sobeai , Homood M.; Sulaiman, Adam A. A.; Fettouhi, Mohammed; Popoola , Saheed A.; Alhoshani, Ali; Isab, Anvarhusein; Dalton Transactions  (2022) –; doi:10.1039/D1DT03546K

data_7709232
_publ_section_title
;
 A Novel Cyclic Dinuclear Gold(I) Complex Induces Anticancer Activity via
 Oxidative Stress-Mediated Intrinsic Apoptotic Pathway in MDA-MB-231
 Cancer Cells
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03546K
_journal_year                    2022
_chemical_formula_moiety         'C56 H106 Au2 N2 P4, 2(F6 P)'
_chemical_formula_sum            'C56 H106 Au2 F12 N2 P6'
_chemical_formula_weight         1615.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-12-19 deposited with the CCDC.	2021-12-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.6860(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4345(4)
_cell_length_b                   27.7952(12)
_cell_length_c                   13.3794(6)
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.120
_cell_measurement_theta_min      2.356
_cell_volume                     3360.8(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2017)'
_computing_data_collection       'Apex3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2017)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker AXS D8 Quest diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            118122
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.375
_diffrn_reflns_theta_min         2.467
_diffrn_source                   'Microfocus sealed tube'
_exptl_absorpt_coefficient_mu    4.572
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.704
_refine_diff_density_min         -1.500
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         8403
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0060P)^2^+15.2952P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0742
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7309
_reflns_number_total             8403
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt03546k2.cif
_cod_data_source_block           ad152_1_0m_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7709232
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.218
_shelx_estimated_absorpt_t_max   0.658
_shelx_res_checksum              46035
_shelx_hkl_checksum              96398