Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents
Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini; RSC Advances 11 (2021) 17658–17668; doi:10.1039/D1RA00842K

data_7242870
_publ_section_title
;
 Synthesis, characterization and biological evaluation of dipicolylamine
 sulfonamide derivatized platinum complexes as potential anticancer agents
;
_journal_issue                   29
_journal_name_full               'RSC Advances'
_journal_page_first              17658
_journal_page_last               17668
_journal_paper_doi               10.1039/D1RA00842K
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C17 H22 Cl2 N4 O2 Pt S'
_chemical_formula_sum            'C17 H22 Cl2 N4 O2 Pt S'
_chemical_formula_weight         612.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-09-12 deposited with the CCDC.	2021-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.872(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.5316(5)
_cell_length_b                   9.5135(2)
_cell_length_c                   24.2020(9)
_cell_measurement_reflns_used    5775
_cell_measurement_temperature    90.0(5)
_cell_measurement_theta_max      36.19
_cell_measurement_theta_min      3.29
_cell_volume                     4034.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90.0(5)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Kappa APEX-II DUO'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'TRIUMPH curved graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0756
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            33042
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         38.593
_diffrn_reflns_theta_min         3.291
_exptl_absorpt_coefficient_mu    7.345
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_description       needle
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         4.711
_refine_diff_density_min         -2.794
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         11296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0294P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0767
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8144
_reflns_number_total             11296
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra00842k2.cif
_cod_data_source_block           Himali39
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7242870
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.386
_shelx_estimated_absorpt_t_max   0.758
_shelx_res_checksum              79644