#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/90/2009023.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2009023
loop_
_publ_author_name
'Bernès, Sylvain'
'Aguilar, Julio César'
'Rodríguez de San Miguel Guerrero, Eduardo'
'Nuñez Gaytán, María Elena'
'De Gyves, Josefina'
_publ_section_title
;
 Complexation of ω-thiocaprolactam with heavy metals: terminal and
 bridging coordination modes in cadmium and silver compounds
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1627
_journal_page_last               1631
_journal_paper_doi               10.1107/S0108270199005569
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         '[Ag4 (C6 H11 N S)8 ] (N O3)4'
_chemical_formula_sum            'C48 H88 Ag4 N12 O12 S8'
_chemical_formula_weight         1713.26
_chemical_melting_point          .413E-305
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.898(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.3913(14)
_cell_length_b                   11.0072(11)
_cell_length_c                   22.163(2)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.98
_cell_measurement_theta_min      4.59
_cell_volume                     3447.5(6)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Fait, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELX97
_computing_structure_refinement  'SHELX97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL  (Sheldrick, 1995)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0795
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            7629
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        9.52
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.423
_exptl_absorpt_correction_T_max  0.8825
_exptl_absorpt_correction_T_min  0.6912
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(Fait, 1991)'
_exptl_crystal_colour            pale_yellow
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.937
_refine_diff_density_min         -0.673
_refine_ls_extinction_coef       0.00028(16)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6070
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1097
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0545P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .1084
_refine_ls_wR_factor_ref         0.1295
_reflns_number_gt                3637
_reflns_number_total             6071
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fr1179.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0545P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0545P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ag1 .73479(4) .62776(5) .08979(3) .0555(2) Uani d . 1 . . Ag
Ag2 .44522(4) .45208(6) .05332(3) .0602(2) Uani d . 1 . . Ag
S1 .89561(12) .59116(18) .15109(8) .0538(5) Uani d . 1 . . S
S2 .56924(14) .29770(18) .04928(8) .0548(5) Uani d . 1 . . S
S3 .56789(11) .62081(17) .10483(8) .0456(4) Uani d . 1 . . S
S4 .72651(12) .51963(17) -.02032(8) .0479(4) Uani d . 1 . . S
N1 .9378(4) .8142(6) .1233(3) .0525(15) Uani d . 1 . . N
H1A .8779 .8203 .1100 .063 Uiso calc R 1 . . H
C1 .9671(5) .7110(7) .1482(3) .0452(17) Uani d . 1 . . C
C2 1.0712(5) .6987(8) .1749(4) .071(2) Uani d . 1 . . C
H2A 1.0818 .6218 .1964 .085 Uiso calc R 1 . . H
H2B 1.0896 .7630 .2047 .085 Uiso calc R 1 . . H
C3 1.1343(5) .7048(9) .1262(5) .088(3) Uani d . 1 . . C
H3A 1.1947 .6673 .1429 .105 Uiso calc R 1 . . H
H3B 1.1049 .6574 .0908 .105 Uiso calc R 1 . . H
C4 1.1520(6) .8319(9) .1051(5) .092(3) Uani d . 1 . . C
H4A 1.1833 .8781 .1404 .110 Uiso calc R 1 . . H
H4B 1.1952 .8268 .0765 .110 Uiso calc R 1 . . H
C5 1.0652(5) .9009(8) .0746(4) .072(2) Uani d . 1 . . C
H5A 1.0849 .9787 .0607 .086 Uiso calc R 1 . . H
H5B 1.0346 .8560 .0387 .086 Uiso calc R 1 . . H
C6 .9951(6) .9227(7) .1149(4) .067(2) Uani d . 1 . . C
H6A 1.0284 .9496 .1549 .080 Uiso calc R 1 . . H
H6B .9529 .9876 .0974 .080 Uiso calc R 1 . . H
N11 .6321(4) .3574(6) .1648(2) .0585(17) Uani d . 1 . . N
H11A .5733 .3689 .1658 .070 Uiso calc R 1 . . H
C11 .6519(5) .3130(7) .1141(3) .0567(19) Uani d . 1 . . C
C12 .7529(6) .2736(9) .1124(4) .077(3) Uani d . 1 . . C
H12A .7547 .2406 .0721 .093 Uiso calc R 1 . . H
H12B .7935 .3447 .1181 .093 Uiso calc R 1 . . H
C13 .7924(6) .1805(9) .1601(4) .087(3) Uani d . 1 . . C
H13A .8442 .1383 .1469 .105 Uiso calc R 1 . . H
H13B .7436 .1212 .1630 .105 Uiso calc R 1 . . H
C14 .8281(6) .2357(10) .2239(4) .091(3) Uani d . 1 . . C
H14A .8609 .1732 .2506 .110 Uiso calc R 1 . . H
H14B .8735 .2991 .2203 .110 Uiso calc R 1 . . H
C15 .7502(6) .2891(10) .2539(4) .092(3) Uani d . 1 . . C
H15A .7048 .2257 .2576 .110 Uiso calc R 1 . . H
H15B .7779 .3159 .2951 .110 Uiso calc R 1 . . H
C16 .7009(6) .3896(9) .2207(3) .078(3) Uani d . 1 . . C
H16A .7473 .4446 .2093 .093 Uiso calc R 1 . . H
H16B .6677 .4334 .2482 .093 Uiso calc R 1 . . H
N21 .5582(4) .8581(5) .0954(3) .0545(15) Uani d . 1 . . N
H21A .6158 .8513 .0904 .065 Uiso calc R 1 . . H
C21 .5142(4) .7589(6) .1031(3) .0417(16) Uani d . 1 . . C
C22 .4150(4) .7652(7) .1147(3) .0480(17) Uani d . 1 . . C
H22A .3902 .6835 .1158 .058 Uiso calc R 1 . . H
H22B .3756 .8079 .0809 .058 Uiso calc R 1 . . H
C23 .4091(5) .8299(7) .1749(3) .060(2) Uani d . 1 . . C
H23A .3523 .8031 .1886 .071 Uiso calc R 1 . . H
H23B .4629 .8055 .2059 .071 Uiso calc R 1 . . H
C24 .4076(6) .9665(8) .1707(4) .079(3) Uani d . 1 . . C
H24A .3978 .9995 .2096 .095 Uiso calc R 1 . . H
H24B .3544 .9910 .1394 .095 Uiso calc R 1 . . H
C25 .4987(6) 1.0214(8) .1554(4) .082(3) Uani d . 1 . . C
H25A .4937 1.1093 .1557 .099 Uiso calc R 1 . . H
H25B .5517 .9985 .1873 .099 Uiso calc R 1 . . H
C26 .5191(6) .9821(7) .0942(4) .071(2) Uani d . 1 . . C
H26A .4610 .9857 .0637 .085 Uiso calc R 1 . . H
H26B .5637 1.0385 .0817 .085 Uiso calc R 1 . . H
N31 .7446(4) .6766(6) -.1070(3) .0587(16) Uani d . 1 . . N
H31A .6881 .6532 -.1225 .070 Uiso calc R 1 . . H
C31 .7840(4) .6261(6) -.0559(3) .0452(16) Uani d . 1 . . C
C32 .8840(5) .6607(7) -.0274(3) .060(2) Uani d . 1 . . C
H32A .9011 .6197 .0119 .072 Uiso calc R 1 . . H
H32B .8860 .7475 -.0194 .072 Uiso calc R 1 . . H
C33 .9571(6) .6303(8) -.0661(4) .078(3) Uani d . 1 . . C
H33A 1.0188 .6270 -.0395 .094 Uiso calc R 1 . . H
H33B .9434 .5500 -.0836 .094 Uiso calc R 1 . . H
C34 .9618(7) .7185(9) -.1177(5) .090(3) Uani d . 1 . . C
H34A 1.0133 .6945 -.1377 .108 Uiso calc R 1 . . H
H34B .9765 .7985 -.1002 .108 Uiso calc R 1 . . H
C35 .8722(7) .7270(9) -.1659(4) .094(3) Uani d . 1 . . C
H35A .8586 .6476 -.1844 .113 Uiso calc R 1 . . H
H35B .8832 .7823 -.1979 .113 Uiso calc R 1 . . H
C36 .7862(6) .7702(9) -.1416(4) .082(3) Uani d . 1 . . C
H36A .8041 .8397 -.1150 .098 Uiso calc R 1 . . H
H36B .7384 .7969 -.1759 .098 Uiso calc R 1 . . H
N41 .7412(5) .9198(8) .0230(4) .075(2) Uani d . 1 . . N
O41 .6725(14) .886(2) -.0186(7) .132(7) Uani d P .50 . . O
O41' .6835(13) 1.001(2) .0076(8) .136(7) Uani d P .50 . . O
O42 .8069(6) .9483(9) .0031(4) .154(4) Uani d . 1 . . O
O43 .7458(3) .8689(5) .0738(3) .0701(15) Uani d . 1 . . O
N51 .4208(6) .4717(9) .2131(3) .079(2) Uani d . 1 . . N
O51 .3400(6) .4997(9) .2168(4) .138(3) Uani d . 1 . . O
O52 .4874(5) .5249(7) .2435(3) .108(2) Uani d . 1 . . O
O53 .4351(4) .3868(6) .1777(2) .0686(15) Uani d . 1 . . O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
S1 Ag1 S3 . . 138.14(6) y
S1 Ag1 S4 . . 107.48(6) y
S3 Ag1 S4 . . 103.24(6) y
S4 Ag2 S2 3_665 . 139.97(7) y
S4 Ag2 S3 3_665 . 125.85(6) y
S2 Ag2 S3 . . 94.02(6) y
S4 Ag2 Ag2 3_665 3_665 109.90(5) y
S2 Ag2 Ag2 . 3_665 75.22(5) y
S3 Ag2 Ag2 . 3_665 73.30(4) y
C1 S1 Ag1 . . 111.4(3) y
C11 S2 Ag2 . . 107.3(3) y
C21 S3 Ag1 . . 114.5(2) y
C21 S3 Ag2 . . 110.6(2) y
Ag1 S3 Ag2 . . 122.82(7) y
C31 S4 Ag2 . 3_665 108.8(2) y
C31 S4 Ag1 . . 99.9(2) y
Ag2 S4 Ag1 3_665 . 94.77(6) y
C1 N1 C6 . . 127.9(6) n
N1 C1 C2 . . 117.6(6) n
N1 C1 S1 . . 123.4(5) n
C2 C1 S1 . . 118.9(6) n
C1 C2 C3 . . 113.3(6) n
C4 C3 C2 . . 114.5(8) n
C5 C4 C3 . . 115.5(7) n
C6 C5 C4 . . 114.2(7) n
N1 C6 C5 . . 113.7(7) n
C11 N11 C16 . . 126.3(6) n
N11 C11 C12 . . 119.4(7) n
N11 C11 S2 . . 122.4(6) n
C12 C11 S2 . . 118.2(6) n
C13 C12 C11 . . 114.4(7) n
C12 C13 C14 . . 113.2(8) n
C15 C14 C13 . . 114.1(7) n
C16 C15 C14 . . 114.0(8) n
C15 C16 N11 . . 115.6(8) n
C21 N21 C26 . . 126.2(6) n
N21 C21 C22 . . 119.4(6) n
N21 C21 S3 . . 121.8(5) n
C22 C21 S3 . . 118.7(5) n
C21 C22 C23 . . 112.4(5) n
C24 C23 C22 . . 114.4(6) n
C23 C24 C25 . . 113.8(7) n
C26 C25 C24 . . 113.9(7) n
N21 C26 C25 . . 112.8(7) n
C31 N31 C36 . . 126.9(6) n
N31 C31 C32 . . 119.0(6) n
N31 C31 S4 . . 121.9(5) n
C32 C31 S4 . . 119.1(5) n
C31 C32 C33 . . 114.6(6) n
C34 C33 C32 . . 115.0(7) n
C33 C34 C35 . . 114.8(7) n
C34 C35 C36 . . 114.4(7) n
N31 C36 C35 . . 113.8(8) n
O42 N41 O41' . . 104.9(12) n
O42 N41 O43 . . 123.8(9) n
O41' N41 O43 . . 119.8(10) n
O42 N41 O41 . . 112.3(12) n
O41' N41 O41 . . 67.2(12) n
O43 N41 O41 . . 115.2(11) n
N41 O41 O41' . . 54.6(9) n
N41 O41' O41 . . 58.2(12) n
O52 N51 O51 . . 120.2(10) n
O52 N51 O53 . . 119.9(8) n
O51 N51 O53 . . 119.9(8) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 S1 . 2.4850(19) y
Ag1 S3 . 2.4878(17) y
Ag1 S4 . 2.6976(18) y
Ag2 S4 3_665 2.4608(17) y
Ag2 S2 . 2.478(2) y
Ag2 S3 . 2.6660(18) y
Ag2 Ag2 3_665 3.2548(11) y
S1 C1 . 1.682(7) y
S2 C11 . 1.691(7) y
S3 C21 . 1.702(7) y
S4 C31 . 1.710(7) y
S4 Ag2 3_665 2.4608(17) n
N1 C1 . 1.298(9) n
N1 C6 . 1.483(9) n
C1 C2 . 1.509(9) n
C2 C3 . 1.536(11) n
C3 C4 . 1.512(12) n
C4 C5 . 1.508(11) n
C5 C6 . 1.488(10) n
N11 C11 . 1.306(8) n
N11 C16 . 1.475(9) n
C11 C12 . 1.524(10) n
C12 C13 . 1.503(11) n
C13 C14 . 1.536(12) n
C14 C15 . 1.525(12) n
C15 C16 . 1.439(12) n
N21 C21 . 1.290(8) n
N21 C26 . 1.475(9) n
C21 C22 . 1.500(8) n
C22 C23 . 1.530(9) n
C23 C24 . 1.506(11) n
C24 C25 . 1.539(11) n
C25 C26 . 1.505(11) n
N31 C31 . 1.293(8) n
N31 C36 . 1.477(9) n
C31 C32 . 1.507(9) n
C32 C33 . 1.516(9) n
C33 C34 . 1.511(11) n
C34 C35 . 1.513(13) n
C35 C36 . 1.516(12) n
N41 O42 . 1.159(9) n
N41 O41' . 1.220(16) n
N41 O43 . 1.248(8) n
N41 O41 . 1.272(16) n
O41 O41' . 1.38(2) n
N51 O52 . 1.213(8) n
N51 O51 . 1.221(9) n
N51 O53 . 1.261(9) n
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1A O43 1_555 0.860 1.991 2.838 168.09 n
N11 H11A O53 1_555 0.860 2.065 2.921 173.41 n
N21 H21A O43 1_555 0.860 1.983 2.832 168.88 n
N31 H31A O53 3_665 0.860 2.003 2.845 166.00 n
N31 H31A O51 3_665 0.860 2.655 3.170 119.73 n
N31 H31A N51 3_665 0.860 2.681 3.426 145.80 n
N21 H21A N41 1_555 0.860 2.660 3.401 145.05 n
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
S3 Ag1 S1 C1 . . -126.6(2) n
S4 Ag1 S1 C1 . . 98.1(3) n
S4 Ag2 S2 C11 3_665 . -147.5(3) n
S3 Ag2 S2 C11 . . 37.4(3) n
Ag2 Ag2 S2 C11 3_665 . 109.0(3) n
S1 Ag1 S3 C21 . . 111.2(2) n
S4 Ag1 S3 C21 . . -112.4(2) n
S1 Ag1 S3 Ag2 . . -109.85(10) n
S4 Ag1 S3 Ag2 . . 26.62(10) n
S4 Ag2 S3 C21 3_665 . -8.0(2) n
S2 Ag2 S3 C21 . . 168.1(2) n
Ag2 Ag2 S3 C21 3_665 . 94.8(2) n
S4 Ag2 S3 Ag1 3_665 . -148.32(8) n
S2 Ag2 S3 Ag1 . . 27.75(9) n
Ag2 Ag2 S3 Ag1 3_665 . -45.51(7) n
S1 Ag1 S4 C31 . . -79.6(2) n
S3 Ag1 S4 C31 . . 129.3(2) n
S1 Ag1 S4 Ag2 . 3_665 170.38(6) n
S3 Ag1 S4 Ag2 . 3_665 19.19(7) n
C6 N1 C1 C2 . . 2.9(10) n
C6 N1 C1 S1 . . -176.0(5) n
Ag1 S1 C1 N1 . . 7.8(6) n
Ag1 S1 C1 C2 . . -171.1(5) n
N1 C1 C2 C3 . . -65.8(9) n
S1 C1 C2 C3 . . 113.1(7) n
C1 C2 C3 C4 . . 79.3(10) n
C2 C3 C4 C5 . . -61.6(12) n
C3 C4 C5 C6 . . 62.0(11) n
C1 N1 C6 C5 . . 62.4(10) n
C4 C5 C6 N1 . . -76.6(9) n
C16 N11 C11 C12 . . 8.7(12) n
C16 N11 C11 S2 . . -171.2(6) n
Ag2 S2 C11 N11 . . 26.4(7) n
Ag2 S2 C11 C12 . . -153.4(6) n
N11 C11 C12 C13 . . 56.5(11) n
S2 C11 C12 C13 . . -123.7(7) n
C11 C12 C13 C14 . . -80.2(10) n
C12 C13 C14 C15 . . 67.0(11) n
C13 C14 C15 C16 . . -62.9(12) n
C14 C15 C16 N11 . . 75.7(10) n
C11 N11 C16 C15 . . -68.2(11) n
C26 N21 C21 C22 . . -2.6(10) n
C26 N21 C21 S3 . . -179.0(6) n
Ag1 S3 C21 N21 . . -0.8(6) n
Ag2 S3 C21 N21 . . -144.7(5) n
Ag1 S3 C21 C22 . . -177.2(4) n
Ag2 S3 C21 C22 . . 38.9(5) n
N21 C21 C22 C23 . . -63.8(8) n
S3 C21 C22 C23 . . 112.7(6) n
C21 C22 C23 C24 . . 81.9(8) n
C22 C23 C24 C25 . . -63.9(9) n
C23 C24 C25 C26 . . 61.6(10) n
C21 N21 C26 C25 . . 67.0(10) n
C24 C25 C26 N21 . . -77.2(9) n
C36 N31 C31 C32 . . -1.7(11) n
C36 N31 C31 S4 . . 179.3(6) n
Ag2 S4 C31 N31 3_665 . -23.9(7) n
Ag1 S4 C31 N31 . . -122.5(6) n
Ag2 S4 C31 C32 3_665 . 157.0(5) n
Ag1 S4 C31 C32 . . 58.5(6) n
N31 C31 C32 C33 . . -62.5(10) n
S4 C31 C32 C33 . . 116.5(7) n
C31 C32 C33 C34 . . 79.2(10) n
C32 C33 C34 C35 . . -62.4(11) n
C33 C34 C35 C36 . . 61.3(11) n
C31 N31 C36 C35 . . 64.1(11) n
C34 C35 C36 N31 . . -76.0(10) n
O42 N41 O41 O41' . . -97.4(14) n
O43 N41 O41 O41' . . 113.5(13) n
O42 N41 O41' O41 . . 108.3(14) n
O43 N41 O41' O41 . . -106.9(14) n
