Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells
Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan; Dalton Trans.  (2017) –; doi:10.1039/C7DT01286A

data_7043115
_publ_section_title
;
 Synthesis, structures and biomolecular interactions of new silver(I)
 5,5-diethylbarbiturate complexes of monophosphines targeting
 Gram-positive bacteria and breast cancer cells
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01286A
_journal_year                    2017
_chemical_formula_moiety         'C26 H37 Ag N2 O3 P'
_chemical_formula_sum            'C26 H37 Ag N2 O3 P'
_chemical_formula_weight         564.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-02-20 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;
_cell_angle_alpha                63.398(3)
_cell_angle_beta                 73.689(4)
_cell_angle_gamma                89.817(4)
_cell_formula_units_Z            2
_cell_length_a                   10.6971(5)
_cell_length_b                   11.8519(5)
_cell_length_c                   12.6449(6)
_cell_measurement_reflns_used    19577
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      1.90
_cell_volume                     1361.62(12)
_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, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'w scan rotation'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_max         27.588
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_exptl_absorpt_correction_T_max  0.8099
_exptl_absorpt_correction_T_min  0.4734
_exptl_absorpt_correction_type   integration
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_exptl_crystal_description       prism
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_refine_diff_density_min         -0.402
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0589P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1129
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4794
_reflns_number_total             6246
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01286a2.cif
_cod_data_source_block           Compound_III
_cod_original_cell_volume        1361.63(12)
_cod_database_code               7043115
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_shelx_res_checksum              74496