Synthesis and characterization of two novel dicyanidoargentate(i) complexes containing N-(2-hydroxyethyl)ethylenediamine exhibiting significant biological activity
Korkmaz, Nesrin; Karadağ, Ahmet; Aydın, Ali; Yanar, Yusuf; Karaman, İsa; Tekin, Şaban; New J. Chem. 38 (2014) 4760–; doi:10.1039/C4NJ00851K

data_7054302
_publ_section_title
;
 Synthesis and characterization of two novel dicyanidoargentate(i)
 complexes containing N-(2-hydroxyethyl)ethylenediamine exhibiting
 significant biological activity
;
_journal_issue                   10
_journal_name_full               'New J. Chem.'
_journal_page_first              4760
_journal_paper_doi               10.1039/C4NJ00851K
_journal_volume                  38
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C16 H24 Ag4 Cd2 N12 O2'
_chemical_formula_sum            'C16 H24 Ag4 Cd2 N12 O2'
_chemical_formula_weight         1072.75
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-02-15T16:14:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 96.187(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.7839(2)
_cell_length_b                   12.0002(2)
_cell_length_c                   15.8813(4)
_cell_measurement_reflns_used    12088
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.4533
_cell_measurement_theta_min      2.1316
_cell_measurement_wavelength     0.71073
_cell_volume                     2990.56(11)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device
;
RAXIS conversion
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_detector       RX
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            61284
_diffrn_reflns_theta_full        26.52
_diffrn_reflns_theta_max         26.52
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    3.999
_exptl_absorpt_correction_T_max  0.670
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       0.00124(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         6074
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0664P)^2^+7.8415P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1381
_reflns_number_gt                4916
_reflns_number_total             6074
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4nj00851k2.cif
_cod_data_source_block           shelxlakaradagno25
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7054302.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7054302