New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.
Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan; Dalton transactions (Cambridge, England : 2003) 44 (2015) 6880–6895; doi:10.1039/c5dt00728c

data_7034250
_publ_section_title
;
 New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with
 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis,
 structures, DNA binding, molecular docking, cellular uptake, antioxidant
 activity and cytotoxicity.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6880
_journal_page_last               6895
_journal_paper_doi               10.1039/c5dt00728c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '2(C16 H22 Ag N4 O6), C20 H18 N6 Pt, 4(H2 O)'
_chemical_formula_sum            'C52 H70 Ag2 N14 O16 Pt'
_chemical_formula_weight         1558.05
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-13 deposited with the CCDC.
2015-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                72.852(3)
_cell_angle_beta                 86.993(3)
_cell_angle_gamma                84.128(3)
_cell_formula_units_Z            1
_cell_length_a                   11.0480(4)
_cell_length_b                   11.4890(4)
_cell_length_c                   12.7247(5)
_cell_measurement_reflns_used    28112
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.06
_cell_measurement_theta_min      1.85
_cell_volume                     1534.83(10)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28112
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.981
_exptl_absorpt_correction_T_max  0.7362
_exptl_absorpt_correction_T_min  0.3298
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32, Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.540
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         6026
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0435
_refine_ls_wR_factor_ref         0.0440
_reflns_number_gt                5603
_reflns_number_total             6026
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c5dt00728c2.cif
_cod_data_source_block           Compound_VI
_cod_depositor_comments
'Adding full bibliography for 7034246--7034250.cif.'
_cod_database_code               7034250