Complexes based N,N-donors (2,2′-bipyridyl & 2-(2-aminophenyl)benzimidazole); Synthesis, characterization, DNA interaction and toxicity assessment against Chlorella vulgaris microchlorophyte; X-ray crystal structure of [Zn(bpy)3)]Cl2
Annan, Neveen A.; Butler, Ian S.; Osman, Yehia A.; Hussein, Mervat H.; Jean-Claude, Bertrand J.; Saad, Eman M.; Mostafa, Sahar I.; Inorganica Chimica Acta 512 (2020) 119885–; doi:10.1016/j.ica.2020.119885

data_1564084
_publ_section_title
;
 Complexes based N,N-donors (2,2&#x2032;-bipyridyl &
 2-(2-aminophenyl)benzimidazole); Synthesis, characterization, DNA
 interaction and toxicity assessment against Chlorella vulgaris
 microchlorophyte; X-ray crystal structure of [Zn(bpy)3)]Cl2
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119885
_journal_paper_doi               10.1016/j.ica.2020.119885
_journal_volume                  512
_journal_year                    2020
_chemical_formula_sum            'C10 H10 Cl N4 O4 Zn'
_chemical_formula_weight         351.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_atom_sites_solution_hydrogens   .
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 73.421(3)
_cell_angle_gamma                90
_cell_formula_units_Z            19
_cell_length_a                   23.654(3)
_cell_length_b                   22.295(2)
_cell_length_c                   13.6451(14)
_cell_measurement_temperature    130(2)
_cell_volume                     6896.8(13)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            69702
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.769
_diffrn_reflns_theta_min         2.015
_exptl_absorpt_coefficient_mu    1.892
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_F_000             3363
_refine_diff_density_max         12.647
_refine_diff_density_min         -1.262
_refine_diff_density_rms         0.524
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.830
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         14578
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      3.830
_refine_ls_R_factor_all          0.3302
_refine_ls_R_factor_gt           0.2564
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.6140
_refine_ls_wR_factor_ref         0.6364
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5991
_reflns_number_total             14578
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            s1_a.cif
_cod_data_source_block           s1_a
_cod_original_cell_volume        6896.7(13)
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               1564084
_shelx_shelxl_version_number     2014/7