[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.
Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa; ACS omega 3 (2018) 7027–7035; doi:10.1021/acsomega.8b00533

data_4516054
_publ_section_title
;
 [Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived
 Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.
;
_journal_issue                   6
_journal_name_full               'ACS omega'
_journal_page_first              7027
_journal_page_last               7035
_journal_paper_doi               10.1021/acsomega.8b00533
_journal_volume                  3
_journal_year                    2018
_chemical_formula_moiety         'C19 H15 Ag N4 O4'
_chemical_formula_sum            'C19 H15 Ag N4 O4'
_chemical_formula_weight         471.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-05-13 deposited with the CCDC.
2018-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.239(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0545(2)
_cell_length_b                   9.0558(2)
_cell_length_c                   21.8960(5)
_cell_measurement_reflns_used    18854
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.2030
_cell_measurement_theta_min      2.4200
_cell_volume                     1794.96(7)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4186
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0324
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            46905
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.551
_diffrn_reflns_theta_min         2.250
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.309
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.056
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0141P)^2^+1.8171P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0571
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3919
_reflns_number_total             4790
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao8b00533_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4516054
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.716
_shelx_estimated_absorpt_t_max   0.938
_shelx_res_checksum              28579
_shelx_hkl_checksum              64167