Mixed ligand-silver(I) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis.
Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Poyraz, M.; Kubicki, M.; Charalabopoulos, K.; Hadjikakou, S. K.; Metallomics : integrated biometal science 4 (2012) 545–560; doi:10.1039/c2mt20039b

data_1515292
_publ_section_title
;
 Mixed ligand-silver(I) complexes with anti-inflammatory agents which can
 bind to lipoxygenase and calf-thymus DNA, modulating their function and
 inducing apoptosis.
;
_journal_issue                   6
_journal_name_full               'Metallomics : integrated biometal science'
_journal_page_first              545
_journal_page_last               560
_journal_paper_doi               10.1039/c2mt20039b
_journal_volume                  4
_journal_year                    2012
_chemical_formula_sum            'C43 H35 Ag O3 P2'
_chemical_formula_weight         769.52
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-11-18 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.798(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5473(2)
_cell_length_b                   18.9633(3)
_cell_length_c                   16.9260(3)
_cell_measurement_reflns_used    13660
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      73.5499
_cell_measurement_theta_min      3.5205
_cell_volume                     3662.76(11)
_computing_cell_refinement       'CrysAlisPro (Agilent)'
_computing_data_collection       'CrysAlisPro (Agilent)'
_computing_data_reduction        'CrysAlisPro (Agilent)'
_computing_molecular_graphics    'Mercury 2.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Sir-92
_diffrn_ambient_temperature      130.1
_diffrn_detector_area_resol_mean 10.5357
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18822
_diffrn_reflns_theta_full        73.70
_diffrn_reflns_theta_max         73.70
_diffrn_reflns_theta_min         3.52
_exptl_absorpt_coefficient_mu    5.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46927
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.143
_refine_diff_density_min         -1.741
_refine_diff_density_rms         0.188
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.485(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         10653
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0862
_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^)+(0.1294P)^2^+50.9377P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2447
_refine_ls_wR_factor_ref         0.2486
_reflns_number_gt                9908
_reflns_number_total             10653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2mt20039b.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1515292