Novel dinuclear gold(i) complexes containing bis(diphenylphosphano)alkanes and (biphenyl-2-yl)(di-tert-butyl)phosphane: synthesis, structural characterization and anticancer activity
Sulaiman, Adam A. A.; Ahmad, Saeed; Mujahid Hashimi, Saeed; Alqosaibi, Amany I.; Peedikakkal, Abdul Malik Puthan; Alhoshani, Ali; Alsaleh, Nasser B.; Isab, Anvarhusein A.; New Journal of Chemistry 46 (2022) 16821–16831; doi:10.1039/D2NJ01680J

data_7061683
_publ_section_title
;
 Novel dinuclear gold(i) complexes containing
 bis(diphenylphosphano)alkanes and
 (biphenyl-2-yl)(di-tert-butyl)phosphane: synthesis, structural
 characterization and anticancer activity
;
_journal_issue                   35
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16821
_journal_page_last               16831
_journal_paper_doi               10.1039/D2NJ01680J
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C67 H Au2 F12 P6'
_chemical_formula_weight         1613.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-03-28 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.195(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.3842(11)
_cell_length_b                   11.8498(5)
_cell_length_c                   26.2952(16)
_cell_measurement_temperature    296(2)
_cell_volume                     6758.0(6)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.971
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0884
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            31109
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.103
_diffrn_reflns_theta_min         2.892
_exptl_absorpt_coefficient_mu    4.549
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             3036
_refine_diff_density_max         1.562
_refine_diff_density_min         -1.577
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       0.00017(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         11489
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+15.3225P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1179
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7876
_reflns_number_total             11489
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj01680j2.cif
_cod_data_source_block           AD2
_cod_depositor_comments
'Adding full bibliography for 7061681--7061683.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7061683
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              12557