Binuclear platinum(ii) complexes bearing various bridging 1,1′-diphosphinoferrocene ligands as potential anticancer agents: synthesis and biological evaluation
Zangeneh, Jalalaldin; Saghaie, Lotfollah; Etebari, Mahmoud; Dolatyari, Vahideh; Farasat, Zahra; Fereidoonnezhad, Masood; Shahsavari, Hamid R.; New Journal of Chemistry 47 (2023) 931–940; doi:10.1039/D2NJ05303A

data_7062116
_publ_section_title
;
 Binuclear platinum(ii) complexes bearing various bridging
 1,1&#x2032;-diphosphinoferrocene ligands as potential anticancer agents:
 synthesis and biological evaluation
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              931
_journal_page_last               940
_journal_paper_doi               10.1039/D2NJ05303A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C56 H68 Cl4 Fe N2 P2 Pt2'
_chemical_formula_sum            'C56 H68 Cl4 Fe N2 P2 Pt2'
_chemical_formula_weight         1418.89
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-10-15 deposited with the CCDC.	2022-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.756(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0061(8)
_cell_length_b                   30.535(3)
_cell_length_c                   10.3235(9)
_cell_measurement_reflns_used    9814
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      40.22
_cell_measurement_theta_min      2.92
_cell_volume                     2671.9(4)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2018)'
_computing_data_reduction        'SAINT (Bruker, 2016)'
_computing_molecular_graphics    'Mercury (CCDC, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '\k--geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Photon II cmos'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            45950
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.485
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_type              'Incoatec I\mS 3.0'
_exptl_absorpt_coefficient_mu    5.790
_exptl_absorpt_correction_T_max  0.5699
_exptl_absorpt_correction_T_min  0.3317
_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            yellow
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_description       plate
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.192
_exptl_crystal_size_min          0.064
_refine_diff_density_max         1.253
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6599
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0224
_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^)+(0.0121P)^2^+4.2632P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0533
_refine_ls_wR_factor_ref         0.0540
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6295
_reflns_number_total             6599
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj05303a3.cif
_cod_data_source_block           a_sq
_cod_depositor_comments
'Adding full bibliography for 7062115--7062116.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7062116
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.251
_shelx_estimated_absorpt_t_max   0.708
_shelx_res_checksum              62088
_shelx_fab_checksum              43463