Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.
Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.; Chemical science 12 (2021) 7467–7479; doi:10.1039/d1sc01418h

data_1562301
_publ_section_title
;
 Anticancer gold(iii)-bisphosphine complex alters the mitochondrial
 electron transport chain to induce <i>in vivo</i> tumor inhibition.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              7467
_journal_page_last               7479
_journal_paper_doi               10.1039/d1sc01418h
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C41 H33 Au Cl N2 P2, Cl'
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;
2020-09-27 deposited with the CCDC.	2021-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
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'<i>SHELX</i> (Sheldrick, 2008) and <i>CIFFIX</i> (Parkin, 2013)'
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.520
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_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.724
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_refine_ls_extinction_coef       0.00053(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0180
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+2.7453P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0402
_refine_ls_wR_factor_ref         0.0409
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8608
_reflns_number_total             9298
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1sc01418h2.cif
_cod_data_source_block           m20145sq
_cod_depositor_comments
'Adding full bibliography for 1562299--1562302.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1562301
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.576
_shelx_estimated_absorpt_t_max   0.675
_exptl_absorpt_special_details
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;
_shelx_res_checksum              50827
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