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_7061682
_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            'C68 H Au2 F12 N P6'
_chemical_formula_weight         1639.45
_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                 117.286(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.428(7)
_cell_length_b                   11.823(4)
_cell_length_c                   26.342(11)
_cell_measurement_temperature    296(2)
_cell_volume                     6761(4)
_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 0.503
_diffrn_measured_fraction_theta_max 0.701
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_Laue_measured_fraction_full 0.503
_diffrn_reflns_Laue_measured_fraction_max 0.701
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            35044
_diffrn_reflns_point_group_measured_fraction_full 0.503
_diffrn_reflns_point_group_measured_fraction_max 0.701
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.326
_diffrn_reflns_theta_min         2.314
_exptl_absorpt_coefficient_mu    4.548
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.400
_refine_diff_density_max         1.224
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       0.0014(2)
_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   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         9926
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          13.683
_refine_ls_shift/su_mean         0.779
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1024P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1632
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6944
_reflns_number_total             9926
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj01680j2.cif
_cod_data_source_block           AMAD174_0ma_a
_cod_depositor_comments
'Adding full bibliography for 7061681--7061683.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7061682
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.263
_shelx_estimated_absorpt_t_max   0.263
_shelx_res_checksum              71710