# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data__[Ag(L1Cl)]2

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C57 H92.50 Ag6 Cl6 N12 O0.75'
_chemical_formula_moiety         'C57 H92.50 Ag6 Cl6 N12 O0.75'
_chemical_formula_weight         1817.86
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   10.2520(11)
_cell_length_b                   29.4123(18)
_cell_length_c                   27.446(3)
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.3800(11)
_cell_angle_gamma                90.0000
_cell_volume                     8165.2(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    414
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    206
#------------------------------------------------------------------------------
_exptl_crystal_description       chip
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3634.00
_exptl_absorpt_coefficient_mu    1.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_T_max  0.921

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      206
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.315
_diffrn_reflns_number            63254
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       35
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using reflections with F² > 3.0 sigma(F²).
    The weighted     R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 3.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             18485
_reflns_number_gt                7487
_reflns_threshold_expression     F²>3.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0603
_refine_ls_wR_factor_ref         0.1335
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7487
_refine_ls_number_parameters     823
_refine_ls_goodness_of_fit_ref   1.854
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     'w = 1/σ²(Fo²)'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.680
_refine_diff_density_min         -0.691
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.99234(11) 0.10099(4) 0.76618(4) 0.0495(4) Uani 1.0 4 d . . .
Ag2 Ag 0.96969(11) 0.20927(4) 0.72048(4) 0.0507(4) Uani 1.0 4 d . . .
Ag3 Ag 0.94272(10) 0.11745(4) 0.63878(4) 0.0513(4) Uani 1.0 4 d . . .
Ag4 Ag 0.70673(11) 0.13198(4) 0.77283(4) 0.0563(4) Uani 1.0 4 d . . .
Ag5 Ag 0.67172(10) 0.20136(4) 0.67279(4) 0.0469(4) Uani 1.0 4 d . . .
Ag6 Ag 0.66239(10) 0.08520(4) 0.65224(4) 0.0470(4) Uani 1.0 4 d . . .
Cl1 Cl 1.2213(5) 0.21861(16) 0.92824(15) 0.0786(17) Uani 1.0 4 d . . .
Cl2 Cl 1.0279(5) 0.28043(16) 0.52576(17) 0.0825(17) Uani 1.0 4 d . . .
Cl3 Cl 1.0855(5) -0.07263(14) 0.67500(17) 0.0785(16) Uani 1.0 4 d . . .
Cl4 Cl 0.6173(5) 0.31675(19) 0.84206(19) 0.105(2) Uani 1.0 4 d . . .
Cl5 Cl 0.4716(5) 0.17505(16) 0.46258(15) 0.0804(17) Uani 1.0 4 d . . .
Cl6 Cl 0.6047(5) -0.06049(16) 0.79391(18) 0.0910(19) Uani 1.0 4 d . . .
O71 O 0.327(4) 0.3117(14) 0.2304(15) 0.063(12) Uiso 0.2500 4 d . . .
O72 O 0.337(5) 0.3916(16) 0.2252(18) 0.092(15) Uiso 0.2500 4 d . . .
O73 O 0.326(4) 0.3474(15) 0.1659(16) 0.075(13) Uiso 0.2500 4 d . . .
N11 N 1.0276(12) 0.1551(4) 0.8147(5) 0.053(5) Uani 1.0 4 d . . .
N12 N 1.0256(11) 0.1991(4) 0.7958(4) 0.048(4) Uani 1.0 4 d . . .
N21 N 0.9509(11) 0.2193(4) 0.6446(5) 0.049(4) Uani 1.0 4 d . . .
N22 N 0.9515(11) 0.1828(4) 0.6125(5) 0.050(5) Uani 1.0 4 d . . .
N31 N 0.9644(10) 0.0521(4) 0.6673(5) 0.051(5) Uani 1.0 4 d . . .
N32 N 0.9920(11) 0.0466(4) 0.7191(5) 0.047(4) Uani 1.0 4 d . . .
N41 N 0.6906(11) 0.2009(5) 0.7842(5) 0.053(5) Uani 1.0 4 d . . .
N42 N 0.6860(11) 0.2302(5) 0.7428(5) 0.051(5) Uani 1.0 4 d . . .
N51 N 0.6240(11) 0.1756(4) 0.6014(4) 0.042(4) Uani 1.0 4 d . . .
N52 N 0.6285(10) 0.1294(4) 0.5916(4) 0.039(4) Uani 1.0 4 d . . .
N61 N 0.6670(11) 0.0439(5) 0.7135(5) 0.055(5) Uani 1.0 4 d . . .
N62 N 0.6946(12) 0.0628(5) 0.7612(5) 0.057(5) Uani 1.0 4 d . . .
C11 C 1.2515(19) 0.0959(7) 0.8963(8) 0.115(10) Uani 1.0 4 d . . .
C12 C 1.053(3) 0.1129(7) 0.9368(8) 0.117(10) Uani 1.0 4 d . . .
C13 C 1.1140(18) 0.1126(6) 0.8919(7) 0.074(7) Uani 1.0 4 d . . .
C14 C 1.0946(15) 0.1554(6) 0.8613(6) 0.053(6) Uani 1.0 4 d . . .
C15 C 1.1330(14) 0.2003(6) 0.8730(5) 0.050(5) Uani 1.0 4 d . . .
C16 C 1.0895(14) 0.2270(6) 0.8315(6) 0.051(5) Uani 1.0 4 d . . .
C17 C 1.1004(18) 0.2760(6) 0.8208(7) 0.072(7) Uani 1.0 4 d . . .
C18 C 1.2367(19) 0.2923(6) 0.8205(8) 0.107(9) Uani 1.0 4 d . . .
C19 C 1.030(2) 0.3041(6) 0.8535(8) 0.113(9) Uani 1.0 4 d . . .
C21 C 1.127(2) 0.3195(7) 0.6564(8) 0.123(10) Uani 1.0 4 d . . .
C22 C 0.8836(18) 0.3365(6) 0.6198(7) 0.103(8) Uani 1.0 4 d . . .
C23 C 0.9796(17) 0.3015(6) 0.6454(6) 0.070(7) Uani 1.0 4 d . . .
C24 C 0.9755(14) 0.2567(5) 0.6187(7) 0.053(6) Uani 1.0 4 d . . .
C25 C 0.9935(14) 0.2439(6) 0.5718(6) 0.056(6) Uani 1.0 4 d . . .
C26 C 0.9776(15) 0.1979(6) 0.5686(6) 0.055(6) Uani 1.0 4 d . . .
C27 C 0.9846(17) 0.1650(7) 0.5272(7) 0.071(7) Uani 1.0 4 d . . .
C28 C 0.8855(18) 0.1742(7) 0.4828(7) 0.097(8) Uani 1.0 4 d . . .
C29 C 1.1139(18) 0.1637(8) 0.5130(7) 0.114(10) Uani 1.0 4 d . . .
C31 C 1.1029(18) -0.0000(10) 0.5688(8) 0.158(12) Uani 1.0 4 d . . .
C32 C 0.867(2) -0.0271(7) 0.5712(6) 0.111(9) Uani 1.0 4 d . . .
C33 C 0.9733(17) 0.0093(6) 0.5884(6) 0.078(7) Uani 1.0 4 d . . .
C34 C 0.9901(14) 0.0131(6) 0.6451(6) 0.053(6) Uani 1.0 4 d . . .
C35 C 1.0358(15) -0.0177(5) 0.6843(6) 0.057(6) Uani 1.0 4 d . . .
C36 C 1.0348(14) 0.0040(5) 0.7298(6) 0.049(5) Uani 1.0 4 d . . .
C37 C 1.0747(16) -0.0117(5) 0.7815(6) 0.065(6) Uani 1.0 4 d . . .
C38 C 1.2268(17) -0.0184(6) 0.7920(7) 0.096(8) Uani 1.0 4 d . . .
C39 C 0.9985(16) -0.0526(6) 0.7938(6) 0.078(7) Uani 1.0 4 d . . .
C41 C 0.7810(19) 0.1973(9) 0.9042(8) 0.137(11) Uani 1.0 4 d . . .
C42 C 0.5470(19) 0.1860(8) 0.8807(8) 0.115(10) Uani 1.0 4 d . . .
C43 C 0.667(2) 0.2042(9) 0.8731(7) 0.115(10) Uani 1.0 4 d . . .
C44 C 0.6694(16) 0.2269(8) 0.8234(6) 0.068(7) Uani 1.0 4 d . . .
C45 C 0.6523(16) 0.2710(8) 0.8053(8) 0.078(8) Uani 1.0 4 d . . .
C46 C 0.6619(15) 0.2738(7) 0.7556(7) 0.067(7) Uani 1.0 4 d . . .
C47 C 0.6496(18) 0.3092(6) 0.7178(7) 0.070(7) Uani 1.0 4 d . . .
C48 C 0.734(2) 0.3489(6) 0.7335(7) 0.104(9) Uani 1.0 4 d . . .
C49 C 0.502(2) 0.3212(7) 0.7032(8) 0.113(9) Uani 1.0 4 d . . .
C51 C 0.6207(18) 0.2693(6) 0.5202(7) 0.093(8) Uani 1.0 4 d . . .
C52 C 0.4039(16) 0.2596(6) 0.5543(7) 0.087(8) Uani 1.0 4 d . . .
C53 C 0.5532(16) 0.2464(5) 0.5597(6) 0.062(6) Uani 1.0 4 d . . .
C54 C 0.5724(13) 0.1968(5) 0.5600(5) 0.044(5) Uani 1.0 4 d . . .
C55 C 0.5435(13) 0.1646(6) 0.5234(5) 0.046(5) Uani 1.0 4 d . . .
C56 C 0.5786(13) 0.1231(6) 0.5436(5) 0.045(5) Uani 1.0 4 d . . .
C57 C 0.5677(15) 0.0769(5) 0.5225(6) 0.055(6) Uani 1.0 4 d . . .
C58 C 0.650(2) 0.0714(6) 0.4819(7) 0.106(9) Uani 1.0 4 d . . .
C59 C 0.4275(17) 0.0630(6) 0.5014(8) 0.105(8) Uani 1.0 4 d . . .
C61 C 0.447(2) -0.0423(7) 0.6673(8) 0.110(9) Uani 1.0 4 d . . .
C62 C 0.6882(19) -0.0695(6) 0.6724(7) 0.095(8) Uani 1.0 4 d . . .
C63 C 0.5963(15) -0.0281(6) 0.6720(6) 0.063(6) Uani 1.0 4 d . . .
C64 C 0.6329(15) 0.0005(6) 0.7172(7) 0.058(6) Uani 1.0 4 d . . .
C65 C 0.6385(16) -0.0088(6) 0.7676(7) 0.068(7) Uani 1.0 4 d . . .
C66 C 0.6786(16) 0.0300(6) 0.7946(7) 0.069(7) Uani 1.0 4 d . . .
C67 C 0.701(2) 0.0414(7) 0.8509(7) 0.091(8) Uani 1.0 4 d . . .
C68 C 0.5671(19) 0.0435(7) 0.8682(7) 0.109(9) Uani 1.0 4 d . . .
C69 C 0.8092(19) 0.0147(8) 0.8784(7) 0.126(10) Uani 1.0 4 d . . .
C71 C 0.880(4) 0.0391(12) 0.0411(13) 0.075(11) Uiso 0.5000 4 d . . .
C72 C 0.771(7) 0.0520(19) 0.032(2) 0.14(2) Uiso 0.5000 4 d . . .
C73 C 0.676(6) 0.0590(18) 0.0425(19) 0.134(19) Uiso 0.5000 4 d . . .
C74 C 0.525(5) 0.0766(14) 0.0350(15) 0.100(13) Uiso 0.5000 4 d . . .
C75 C 0.434(5) 0.0905(14) 0.0629(16) 0.104(14) Uiso 0.5000 4 d . . .
C76 C 0.313(4) 0.1010(11) 0.0584(12) 0.065(9) Uiso 0.5000 4 d . . .
H1 H 1.3111 0.1208 0.9020 0.1367 Uiso 1.0 4 calc R . .
H2 H 1.2624 0.0810 0.8665 0.1367 Uiso 1.0 4 calc R . .
H3 H 1.2693 0.0751 0.9230 0.1367 Uiso 1.0 4 calc R . .
H4 H 1.0143 0.0841 0.9408 0.1468 Uiso 1.0 4 calc R . .
H5 H 0.9863 0.1357 0.9339 0.1468 Uiso 1.0 4 calc R . .
H6 H 1.1184 0.1192 0.9646 0.1468 Uiso 1.0 4 calc R . .
H7 H 1.0634 0.0909 0.8712 0.0902 Uiso 1.0 4 calc R . .
H8 H 1.0546 0.2805 0.7882 0.0882 Uiso 1.0 4 calc R . .
H9 H 1.2738 0.3023 0.8528 0.1326 Uiso 1.0 4 calc R . .
H10 H 1.2367 0.3168 0.7979 0.1326 Uiso 1.0 4 calc R . .
H11 H 1.2878 0.2679 0.8110 0.1326 Uiso 1.0 4 calc R . .
H12 H 0.9392 0.3069 0.8395 0.1346 Uiso 1.0 4 calc R . .
H13 H 1.0694 0.3334 0.8570 0.1346 Uiso 1.0 4 calc R . .
H14 H 1.0372 0.2901 0.8850 0.1346 Uiso 1.0 4 calc R . .
H15 H 1.1733 0.3117 0.6303 0.1438 Uiso 1.0 4 calc R . .
H16 H 1.1705 0.3064 0.6863 0.1438 Uiso 1.0 4 calc R . .
H17 H 1.1255 0.3516 0.6598 0.1438 Uiso 1.0 4 calc R . .
H18 H 0.8510 0.3555 0.6431 0.1204 Uiso 1.0 4 calc R . .
H19 H 0.8118 0.3210 0.6005 0.1204 Uiso 1.0 4 calc R . .
H20 H 0.9281 0.3545 0.5989 0.1204 Uiso 1.0 4 calc R . .
H21 H 0.9520 0.2964 0.6764 0.0831 Uiso 1.0 4 calc R . .
H22 H 0.9675 0.1355 0.5387 0.0859 Uiso 1.0 4 calc R . .
H23 H 0.8045 0.1596 0.4856 0.1182 Uiso 1.0 4 calc R . .
H24 H 0.9179 0.1629 0.4546 0.1182 Uiso 1.0 4 calc R . .
H25 H 0.8714 0.2061 0.4794 0.1182 Uiso 1.0 4 calc R . .
H26 H 1.1164 0.1856 0.4878 0.1370 Uiso 1.0 4 calc R . .
H27 H 1.1297 0.1343 0.5008 0.1370 Uiso 1.0 4 calc R . .
H28 H 1.1801 0.1706 0.5405 0.1370 Uiso 1.0 4 calc R . .
H29 H 1.1610 -0.0168 0.5928 0.1932 Uiso 1.0 4 calc R . .
H30 H 1.1432 0.0280 0.5625 0.1932 Uiso 1.0 4 calc R . .
H31 H 1.0846 -0.0171 0.5391 0.1932 Uiso 1.0 4 calc R . .
H32 H 0.8200 -0.0193 0.5395 0.1296 Uiso 1.0 4 calc R . .
H33 H 0.8073 -0.0288 0.5941 0.1296 Uiso 1.0 4 calc R . .
H34 H 0.9088 -0.0558 0.5694 0.1296 Uiso 1.0 4 calc R . .
H35 H 0.9399 0.0377 0.5753 0.0914 Uiso 1.0 4 calc R . .
H36 H 1.0550 0.0124 0.8023 0.0738 Uiso 1.0 4 calc R . .
H37 H 1.2475 -0.0488 0.7844 0.1068 Uiso 1.0 4 calc R . .
H38 H 1.2592 -0.0124 0.8258 0.1068 Uiso 1.0 4 calc R . .
H39 H 1.2668 0.0020 0.7719 0.1068 Uiso 1.0 4 calc R . .
H40 H 0.9199 -0.0427 0.8047 0.0934 Uiso 1.0 4 calc R . .
H41 H 1.0496 -0.0702 0.8190 0.0934 Uiso 1.0 4 calc R . .
H42 H 0.9762 -0.0706 0.7649 0.0934 Uiso 1.0 4 calc R . .
H43 H 0.7930 0.2202 0.9289 0.1626 Uiso 1.0 4 calc R . .
H44 H 0.8523 0.1982 0.8860 0.1626 Uiso 1.0 4 calc R . .
H45 H 0.7783 0.1683 0.9193 0.1626 Uiso 1.0 4 calc R . .
H46 H 0.5280 0.1575 0.8650 0.1400 Uiso 1.0 4 calc R . .
H47 H 0.4800 0.2072 0.8680 0.1400 Uiso 1.0 4 calc R . .
H48 H 0.5496 0.1828 0.9153 0.1400 Uiso 1.0 4 calc R . .
H49 H 0.6549 0.2325 0.8885 0.1361 Uiso 1.0 4 calc R . .
H50 H 0.6773 0.2970 0.6891 0.0830 Uiso 1.0 4 calc R . .
H51 H 0.6847 0.3702 0.7492 0.1259 Uiso 1.0 4 calc R . .
H52 H 0.7613 0.3627 0.7055 0.1259 Uiso 1.0 4 calc R . .
H53 H 0.8098 0.3397 0.7561 0.1259 Uiso 1.0 4 calc R . .
H54 H 0.4608 0.3020 0.6774 0.1291 Uiso 1.0 4 calc R . .
H55 H 0.4934 0.3520 0.6926 0.1291 Uiso 1.0 4 calc R . .
H56 H 0.4602 0.3173 0.7314 0.1291 Uiso 1.0 4 calc R . .
H57 H 0.6164 0.2504 0.4919 0.1137 Uiso 1.0 4 calc R . .
H58 H 0.7106 0.2753 0.5333 0.1137 Uiso 1.0 4 calc R . .
H59 H 0.5763 0.2971 0.5111 0.1137 Uiso 1.0 4 calc R . .
H60 H 0.3930 0.2862 0.5729 0.1064 Uiso 1.0 4 calc R . .
H61 H 0.3551 0.2354 0.5654 0.1063 Uiso 1.0 4 calc R . .
H62 H 0.3725 0.2653 0.5203 0.1064 Uiso 1.0 4 calc R . .
H63 H 0.5931 0.2576 0.5910 0.0741 Uiso 1.0 4 calc R . .
H64 H 0.5997 0.0565 0.5486 0.0659 Uiso 1.0 4 calc R . .
H65 H 0.5997 0.0785 0.4506 0.1310 Uiso 1.0 4 calc R . .
H66 H 0.6796 0.0408 0.4819 0.1310 Uiso 1.0 4 calc R . .
H67 H 0.7243 0.0911 0.4883 0.1310 Uiso 1.0 4 calc R . .
H68 H 0.3875 0.0497 0.5269 0.1214 Uiso 1.0 4 calc R . .
H69 H 0.4290 0.0414 0.4757 0.1214 Uiso 1.0 4 calc R . .
H70 H 0.3781 0.0889 0.4886 0.1214 Uiso 1.0 4 calc R . .
H71 H 0.4098 -0.0454 0.6334 0.1288 Uiso 1.0 4 calc R . .
H72 H 0.3996 -0.0199 0.6822 0.1288 Uiso 1.0 4 calc R . .
H73 H 0.4418 -0.0706 0.6836 0.1289 Uiso 1.0 4 calc R . .
H74 H 0.7170 -0.0782 0.7058 0.1175 Uiso 1.0 4 calc R . .
H75 H 0.7625 -0.0614 0.6577 0.1176 Uiso 1.0 4 calc R . .
H76 H 0.6429 -0.0942 0.6549 0.1175 Uiso 1.0 4 calc R . .
H77 H 0.6059 -0.0099 0.6442 0.0751 Uiso 1.0 4 calc R . .
H78 H 0.7306 0.0720 0.8522 0.1093 Uiso 1.0 4 calc R . .
H79 H 0.5303 0.0730 0.8627 0.1354 Uiso 1.0 4 calc R . .
H80 H 0.5775 0.0365 0.9024 0.1354 Uiso 1.0 4 calc R . .
H81 H 0.5097 0.0218 0.8501 0.1354 Uiso 1.0 4 calc R . .
H82 H 0.7753 -0.0120 0.8914 0.1459 Uiso 1.0 4 calc R . .
H83 H 0.8527 0.0328 0.9048 0.1459 Uiso 1.0 4 calc R . .
H84 H 0.8702 0.0064 0.8574 0.1459 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    SIR97
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 Ag4 3.1003(17) yes . .
Ag1 N11 2.070(12) yes . .
Ag1 N32 2.055(12) yes . .
Ag2 Ag5 3.1298(15) yes . .
Ag2 N12 2.076(11) yes . .
Ag2 N21 2.082(12) yes . .
Ag3 Ag6 3.1051(16) yes . .
Ag3 N22 2.061(13) yes . .
Ag3 N31 2.074(13) yes . .
Ag4 N41 2.063(13) yes . .
Ag4 N62 2.061(13) yes . .
Ag5 N42 2.083(13) yes . .
Ag5 N51 2.084(11) yes . .
Ag6 N52 2.097(11) yes . .
Ag6 N61 2.069(13) yes . .
Cl1 C15 1.722(14) yes . .
Cl2 C25 1.739(18) yes . .
Cl3 C35 1.726(15) yes . .
Cl4 C45 1.75(3) yes . .
Cl5 C55 1.740(14) yes . .
Cl6 C65 1.742(18) yes . .
N11 N12 1.392(17) yes . .
N11 C14 1.348(18) yes . .
N12 C16 1.360(19) yes . .
N21 N22 1.390(18) yes . .
N21 C24 1.36(2) yes . .
N22 C26 1.35(3) yes . .
N31 N32 1.413(18) yes . .
N31 C34 1.34(2) yes . .
N32 C36 1.346(18) yes . .
N41 N42 1.419(18) yes . .
N41 C44 1.36(3) yes . .
N42 C46 1.36(3) yes . .
N51 N52 1.386(16) yes . .
N51 C54 1.329(17) yes . .
N52 C56 1.346(16) yes . .
N61 N62 1.407(18) yes . .
N61 C64 1.33(2) yes . .
N62 C66 1.36(3) yes . .
C11 C13 1.48(3) yes . .
C12 C13 1.47(3) yes . .
C13 C14 1.51(3) yes . .
C14 C15 1.40(3) yes . .
C15 C16 1.40(2) yes . .
C16 C17 1.48(3) yes . .
C17 C18 1.48(3) yes . .
C17 C19 1.49(3) yes . .
C21 C23 1.58(3) yes . .
C22 C23 1.52(3) yes . .
C23 C24 1.50(3) yes . .
C24 C25 1.38(3) yes . .
C25 C26 1.36(3) yes . .
C26 C27 1.50(3) yes . .
C27 C28 1.48(3) yes . .
C27 C29 1.44(3) yes . .
C31 C33 1.54(3) yes . .
C32 C33 1.55(3) yes . .
C33 C34 1.54(3) yes . .
C34 C35 1.43(3) yes . .
C35 C36 1.40(3) yes . .
C36 C37 1.49(2) yes . .
C37 C38 1.55(3) yes . .
C37 C39 1.50(3) yes . .
C41 C43 1.35(3) yes . .
C42 C43 1.39(3) yes . .
C43 C44 1.52(3) yes . .
C44 C45 1.39(3) yes . .
C45 C46 1.39(3) yes . .
C46 C47 1.46(3) yes . .
C47 C48 1.48(3) yes . .
C47 C49 1.54(3) yes . .
C51 C53 1.54(3) yes . .
C52 C53 1.56(3) yes . .
C53 C54 1.47(2) yes . .
C54 C55 1.38(2) yes . .
C55 C56 1.36(2) yes . .
C56 C57 1.48(3) yes . .
C57 C58 1.51(3) yes . .
C57 C59 1.52(3) yes . .
C61 C63 1.57(3) yes . .
C62 C63 1.54(3) yes . .
C63 C64 1.50(3) yes . .
C64 C65 1.40(3) yes . .
C65 C66 1.39(3) yes . .
C66 C67 1.56(3) yes . .
C67 C68 1.52(3) yes . .
C67 C69 1.46(3) yes . .
C71 C72 1.17(8) yes . .
C72 C73 1.08(9) yes . .
C73 C74 1.61(7) yes . .
C74 C75 1.37(7) yes . .
C75 C76 1.27(6) yes . .
C11 H1 0.950 no . .
C11 H2 0.950 no . .
C11 H3 0.950 no . .
C12 H4 0.950 no . .
C12 H5 0.950 no . .
C12 H6 0.950 no . .
C13 H7 0.950 no . .
C17 H8 0.950 no . .
C18 H9 0.950 no . .
C18 H10 0.950 no . .
C18 H11 0.950 no . .
C19 H12 0.950 no . .
C19 H13 0.950 no . .
C19 H14 0.950 no . .
C21 H15 0.950 no . .
C21 H16 0.950 no . .
C21 H17 0.950 no . .
C22 H18 0.950 no . .
C22 H19 0.950 no . .
C22 H20 0.950 no . .
C23 H21 0.950 no . .
C27 H22 0.950 no . .
C28 H23 0.950 no . .
C28 H24 0.950 no . .
C28 H25 0.950 no . .
C29 H26 0.950 no . .
C29 H27 0.950 no . .
C29 H28 0.950 no . .
C31 H29 0.950 no . .
C31 H30 0.950 no . .
C31 H31 0.950 no . .
C32 H32 0.950 no . .
C32 H33 0.950 no . .
C32 H34 0.950 no . .
C33 H35 0.950 no . .
C37 H36 0.950 no . .
C38 H37 0.950 no . .
C38 H38 0.950 no . .
C38 H39 0.950 no . .
C39 H40 0.950 no . .
C39 H41 0.950 no . .
C39 H42 0.950 no . .
C41 H43 0.950 no . .
C41 H44 0.950 no . .
C41 H45 0.950 no . .
C42 H46 0.950 no . .
C42 H47 0.950 no . .
C42 H48 0.950 no . .
C43 H49 0.950 no . .
C47 H50 0.950 no . .
C48 H51 0.950 no . .
C48 H52 0.950 no . .
C48 H53 0.950 no . .
C49 H54 0.950 no . .
C49 H55 0.950 no . .
C49 H56 0.950 no . .
C51 H57 0.950 no . .
C51 H58 0.950 no . .
C51 H59 0.950 no . .
C52 H60 0.950 no . .
C52 H61 0.950 no . .
C52 H62 0.950 no . .
C53 H63 0.950 no . .
C57 H64 0.950 no . .
C58 H65 0.950 no . .
C58 H66 0.950 no . .
C58 H67 0.950 no . .
C59 H68 0.950 no . .
C59 H69 0.950 no . .
C59 H70 0.950 no . .
C61 H71 0.950 no . .
C61 H72 0.950 no . .
C61 H73 0.950 no . .
C62 H74 0.950 no . .
C62 H75 0.950 no . .
C62 H76 0.950 no . .
C63 H77 0.950 no . .
C67 H78 0.950 no . .
C68 H79 0.950 no . .
C68 H80 0.950 no . .
C68 H81 0.950 no . .
C69 H82 0.950 no . .
C69 H83 0.950 no . .
C69 H84 0.950 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Ag4 Ag1 N11 78.7(4) yes . . .
Ag4 Ag1 N32 111.1(3) yes . . .
N11 Ag1 N32 170.2(5) yes . . .
Ag5 Ag2 N12 119.9(4) yes . . .
Ag5 Ag2 N21 70.6(3) yes . . .
N12 Ag2 N21 169.4(5) yes . . .
Ag6 Ag3 N22 114.9(3) yes . . .
Ag6 Ag3 N31 73.5(3) yes . . .
N22 Ag3 N31 171.5(5) yes . . .
Ag1 Ag4 N41 113.4(3) yes . . .
Ag1 Ag4 N62 74.6(4) yes . . .
N41 Ag4 N62 172.0(5) yes . . .
Ag2 Ag5 N42 70.5(3) yes . . .
Ag2 Ag5 N51 118.9(3) yes . . .
N42 Ag5 N51 170.4(5) yes . . .
Ag3 Ag6 N52 75.7(3) yes . . .
Ag3 Ag6 N61 112.2(3) yes . . .
N52 Ag6 N61 171.4(5) yes . . .
Ag1 N11 N12 119.0(9) yes . . .
Ag1 N11 C14 128.5(10) yes . . .
N12 N11 C14 108.8(12) yes . . .
Ag2 N12 N11 119.3(9) yes . . .
Ag2 N12 C16 130.7(11) yes . . .
N11 N12 C16 108.4(11) yes . . .
Ag2 N21 N22 121.1(9) yes . . .
Ag2 N21 C24 130.1(10) yes . . .
N22 N21 C24 105.9(12) yes . . .
Ag3 N22 N21 119.6(10) yes . . .
Ag3 N22 C26 130.2(11) yes . . .
N21 N22 C26 109.5(12) yes . . .
Ag3 N31 N32 118.4(9) yes . . .
Ag3 N31 C34 129.6(11) yes . . .
N32 N31 C34 109.7(12) yes . . .
Ag1 N32 N31 121.6(9) yes . . .
Ag1 N32 C36 128.4(10) yes . . .
N31 N32 C36 109.2(12) yes . . .
Ag4 N41 N42 117.9(10) yes . . .
Ag4 N41 C44 134.1(12) yes . . .
N42 N41 C44 107.6(13) yes . . .
Ag5 N42 N41 118.7(10) yes . . .
Ag5 N42 C46 129.2(11) yes . . .
N41 N42 C46 110.4(13) yes . . .
Ag5 N51 N52 121.9(8) yes . . .
Ag5 N51 C54 129.3(10) yes . . .
N52 N51 C54 108.4(11) yes . . .
Ag6 N52 N51 117.4(8) yes . . .
Ag6 N52 C56 132.8(10) yes . . .
N51 N52 C56 107.8(11) yes . . .
Ag6 N61 N62 119.9(9) yes . . .
Ag6 N61 C64 130.9(11) yes . . .
N62 N61 C64 108.8(13) yes . . .
Ag4 N62 N61 122.2(10) yes . . .
Ag4 N62 C66 127.3(12) yes . . .
N61 N62 C66 108.7(13) yes . . .
C11 C13 C12 117.7(16) yes . . .
C11 C13 C14 111.2(16) yes . . .
C12 C13 C14 115.2(15) yes . . .
N11 C14 C13 121.6(14) yes . . .
N11 C14 C15 107.7(13) yes . . .
C13 C14 C15 130.7(13) yes . . .
Cl1 C15 C14 125.9(12) yes . . .
Cl1 C15 C16 126.5(13) yes . . .
C14 C15 C16 107.6(13) yes . . .
N12 C16 C15 107.5(13) yes . . .
N12 C16 C17 119.2(13) yes . . .
C15 C16 C17 133.3(14) yes . . .
C16 C17 C18 114.8(15) yes . . .
C16 C17 C19 111.2(16) yes . . .
C18 C17 C19 112.0(15) yes . . .
C21 C23 C22 112.9(15) yes . . .
C21 C23 C24 109.6(14) yes . . .
C22 C23 C24 113.8(13) yes . . .
N21 C24 C23 116.6(15) yes . . .
N21 C24 C25 109.3(14) yes . . .
C23 C24 C25 134.1(15) yes . . .
Cl2 C25 C24 125.6(13) yes . . .
Cl2 C25 C26 127.0(14) yes . . .
C24 C25 C26 107.4(15) yes . . .
N22 C26 C25 107.8(15) yes . . .
N22 C26 C27 120.2(14) yes . . .
C25 C26 C27 132.0(16) yes . . .
C26 C27 C28 113.2(15) yes . . .
C26 C27 C29 112.4(15) yes . . .
C28 C27 C29 108.7(16) yes . . .
C31 C33 C32 112.0(16) yes . . .
C31 C33 C34 113.9(14) yes . . .
C32 C33 C34 108.4(14) yes . . .
N31 C34 C33 121.4(14) yes . . .
N31 C34 C35 105.3(14) yes . . .
C33 C34 C35 133.2(15) yes . . .
Cl3 C35 C34 123.4(13) yes . . .
Cl3 C35 C36 127.0(12) yes . . .
C34 C35 C36 109.5(13) yes . . .
N32 C36 C35 106.2(13) yes . . .
N32 C36 C37 121.7(13) yes . . .
C35 C36 C37 132.0(13) yes . . .
C36 C37 C38 109.1(14) yes . . .
C36 C37 C39 112.9(13) yes . . .
C38 C37 C39 113.6(13) yes . . .
C41 C43 C42 123(2) yes . . .
C41 C43 C44 119.6(19) yes . . .
C42 C43 C44 116.7(16) yes . . .
N41 C44 C43 119.2(19) yes . . .
N41 C44 C45 105.5(16) yes . . .
C43 C44 C45 135.2(19) yes . . .
Cl4 C45 C44 122.4(16) yes . . .
Cl4 C45 C46 125.1(16) yes . . .
C44 C45 C46 112.5(19) yes . . .
N42 C46 C45 104.0(17) yes . . .
N42 C46 C47 119.1(17) yes . . .
C45 C46 C47 136.9(19) yes . . .
C46 C47 C48 112.1(15) yes . . .
C46 C47 C49 108.3(15) yes . . .
C48 C47 C49 113.5(15) yes . . .
C51 C53 C52 111.8(13) yes . . .
C51 C53 C54 111.3(14) yes . . .
C52 C53 C54 112.1(13) yes . . .
N51 C54 C53 120.3(13) yes . . .
N51 C54 C55 107.9(13) yes . . .
C53 C54 C55 131.8(13) yes . . .
Cl5 C55 C54 125.7(12) yes . . .
Cl5 C55 C56 126.2(12) yes . . .
C54 C55 C56 108.0(12) yes . . .
N52 C56 C55 107.9(13) yes . . .
N52 C56 C57 120.2(13) yes . . .
C55 C56 C57 131.9(12) yes . . .
C56 C57 C58 111.7(13) yes . . .
C56 C57 C59 113.9(13) yes . . .
C58 C57 C59 107.4(14) yes . . .
C61 C63 C62 112.1(14) yes . . .
C61 C63 C64 109.1(14) yes . . .
C62 C63 C64 111.5(13) yes . . .
N61 C64 C63 120.5(15) yes . . .
N61 C64 C65 107.1(14) yes . . .
C63 C64 C65 132.4(15) yes . . .
Cl6 C65 C64 126.9(13) yes . . .
Cl6 C65 C66 123.9(15) yes . . .
C64 C65 C66 109.2(16) yes . . .
N62 C66 C65 106.2(16) yes . . .
N62 C66 C67 120.2(15) yes . . .
C65 C66 C67 133.6(17) yes . . .
C66 C67 C68 108.8(15) yes . . .
C66 C67 C69 111.8(17) yes . . .
C68 C67 C69 120.4(17) yes . . .
C71 C72 C73 151(7) yes . . .
C72 C73 C74 156(6) yes . . .
C73 C74 C75 139(4) yes . . .
C74 C75 C76 140(4) yes . . .
C13 C11 H1 109.597 no . . .
C13 C11 H2 109.064 no . . .
C13 C11 H3 109.749 no . . .
H1 C11 H2 109.476 no . . .
H1 C11 H3 109.465 no . . .
H2 C11 H3 109.476 no . . .
C13 C12 H4 109.544 no . . .
C13 C12 H5 109.466 no . . .
C13 C12 H6 109.393 no . . .
H4 C12 H5 109.474 no . . .
H4 C12 H6 109.468 no . . .
H5 C12 H6 109.482 no . . .
C11 C13 H7 104.215 no . . .
C12 C13 H7 103.842 no . . .
C14 C13 H7 102.562 no . . .
C16 C17 H8 106.297 no . . .
C18 C17 H8 105.764 no . . .
C19 C17 H8 106.050 no . . .
C17 C18 H9 109.278 no . . .
C17 C18 H10 110.453 no . . .
C17 C18 H11 108.677 no . . .
H9 C18 H10 109.477 no . . .
H9 C18 H11 109.473 no . . .
H10 C18 H11 109.464 no . . .
C17 C19 H12 110.124 no . . .
C17 C19 H13 108.777 no . . .
C17 C19 H14 109.512 no . . .
H12 C19 H13 109.476 no . . .
H12 C19 H14 109.465 no . . .
H13 C19 H14 109.471 no . . .
C23 C21 H15 110.718 no . . .
C23 C21 H16 109.037 no . . .
C23 C21 H17 108.658 no . . .
H15 C21 H16 109.474 no . . .
H15 C21 H17 109.466 no . . .
H16 C21 H17 109.468 no . . .
C23 C22 H18 111.142 no . . .
C23 C22 H19 108.680 no . . .
C23 C22 H20 108.591 no . . .
H18 C22 H19 109.467 no . . .
H18 C22 H20 109.466 no . . .
H19 C22 H20 109.470 no . . .
C21 C23 H21 107.330 no . . .
C22 C23 H21 104.864 no . . .
C24 C23 H21 107.940 no . . .
C26 C27 H22 107.701 no . . .
C28 C27 H22 107.569 no . . .
C29 C27 H22 106.987 no . . .
C27 C28 H23 110.006 no . . .
C27 C28 H24 108.867 no . . .
C27 C28 H25 109.535 no . . .
H23 C28 H24 109.474 no . . .
H23 C28 H25 109.465 no . . .
H24 C28 H25 109.477 no . . .
C27 C29 H26 108.297 no . . .
C27 C29 H27 109.663 no . . .
C27 C29 H28 110.442 no . . .
H26 C29 H27 109.471 no . . .
H26 C29 H28 109.462 no . . .
H27 C29 H28 109.483 no . . .
C33 C31 H29 109.315 no . . .
C33 C31 H30 109.572 no . . .
C33 C31 H31 109.521 no . . .
H29 C31 H30 109.465 no . . .
H29 C31 H31 109.475 no . . .
H30 C31 H31 109.478 no . . .
C33 C32 H32 109.846 no . . .
C33 C32 H33 109.321 no . . .
C33 C32 H34 109.253 no . . .
H32 C32 H33 109.462 no . . .
H32 C32 H34 109.467 no . . .
H33 C32 H34 109.477 no . . .
C31 C33 H35 107.620 no . . .
C32 C33 H35 107.436 no . . .
C34 C33 H35 107.111 no . . .
C36 C37 H36 106.935 no . . .
C38 C37 H36 106.865 no . . .
C39 C37 H36 107.022 no . . .
C37 C38 H37 109.476 no . . .
C37 C38 H38 109.746 no . . .
C37 C38 H39 109.194 no . . .
H37 C38 H38 109.457 no . . .
H37 C38 H39 109.473 no . . .
H38 C38 H39 109.480 no . . .
C37 C39 H40 108.837 no . . .
C37 C39 H41 110.738 no . . .
C37 C39 H42 108.839 no . . .
H40 C39 H41 109.458 no . . .
H40 C39 H42 109.472 no . . .
H41 C39 H42 109.476 no . . .
C43 C41 H43 110.125 no . . .
C43 C41 H44 109.103 no . . .
C43 C41 H45 109.189 no . . .
H43 C41 H44 109.476 no . . .
H43 C41 H45 109.458 no . . .
H44 C41 H45 109.475 no . . .
C43 C42 H46 113.164 no . . .
C43 C42 H47 107.245 no . . .
C43 C42 H48 107.932 no . . .
H46 C42 H47 109.465 no . . .
H46 C42 H48 109.483 no . . .
H47 C42 H48 109.477 no . . .
C41 C43 H49 90.702 no . . .
C42 C43 H49 95.058 no . . .
C44 C43 H49 92.134 no . . .
C46 C47 H50 108.483 no . . .
C48 C47 H50 107.501 no . . .
C49 C47 H50 106.618 no . . .
C47 C48 H51 108.801 no . . .
C47 C48 H52 109.602 no . . .
C47 C48 H53 110.004 no . . .
H51 C48 H52 109.476 no . . .
H51 C48 H53 109.475 no . . .
H52 C48 H53 109.467 no . . .
C47 C49 H54 110.621 no . . .
C47 C49 H55 109.482 no . . .
C47 C49 H56 108.299 no . . .
H54 C49 H55 109.472 no . . .
H54 C49 H56 109.468 no . . .
H55 C49 H56 109.476 no . . .
C53 C51 H57 110.784 no . . .
C53 C51 H58 109.539 no . . .
C53 C51 H59 108.087 no . . .
H57 C51 H58 109.464 no . . .
H57 C51 H59 109.464 no . . .
H58 C51 H59 109.477 no . . .
C53 C52 H60 110.676 no . . .
C53 C52 H61 109.892 no . . .
C53 C52 H62 107.830 no . . .
H60 C52 H61 109.484 no . . .
H60 C52 H62 109.470 no . . .
H61 C52 H62 109.462 no . . .
C51 C53 H63 108.028 no . . .
C52 C53 H63 105.630 no . . .
C54 C53 H63 107.666 no . . .
C56 C57 H64 107.021 no . . .
C58 C57 H64 108.794 no . . .
C59 C57 H64 107.859 no . . .
C57 C58 H65 110.872 no . . .
C57 C58 H66 108.414 no . . .
C57 C58 H67 109.129 no . . .
H65 C58 H66 109.462 no . . .
H65 C58 H67 109.472 no . . .
H66 C58 H67 109.467 no . . .
C57 C59 H68 109.027 no . . .
C57 C59 H69 109.512 no . . .
C57 C59 H70 109.876 no . . .
H68 C59 H69 109.466 no . . .
H68 C59 H70 109.469 no . . .
H69 C59 H70 109.476 no . . .
C63 C61 H71 109.623 no . . .
C63 C61 H72 109.864 no . . .
C63 C61 H73 108.922 no . . .
H71 C61 H72 109.482 no . . .
H71 C61 H73 109.467 no . . .
H72 C61 H73 109.467 no . . .
C63 C62 H74 108.340 no . . .
C63 C62 H75 109.444 no . . .
C63 C62 H76 110.623 no . . .
H74 C62 H75 109.472 no . . .
H74 C62 H76 109.464 no . . .
H75 C62 H76 109.476 no . . .
C61 C63 H77 108.189 no . . .
C62 C63 H77 107.987 no . . .
C64 C63 H77 107.789 no . . .
C66 C67 H78 103.512 no . . .
C68 C67 H78 104.484 no . . .
C69 C67 H78 106.150 no . . .
C67 C68 H79 109.997 no . . .
C67 C68 H80 109.644 no . . .
C67 C68 H81 108.770 no . . .
H79 C68 H80 109.469 no . . .
H79 C68 H81 109.480 no . . .
H80 C68 H81 109.464 no . . .
C67 C69 H82 110.049 no . . .
C67 C69 H83 108.289 no . . .
C67 C69 H84 110.067 no . . .
H82 C69 H83 109.478 no . . .
H82 C69 H84 109.464 no . . .
H83 C69 H84 109.474 no . . .

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
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ag(4) Ag(1) N(11) N(12) -82.4(8) no . . . .
Ag(4) Ag(1) N(11) C(14) 121.9(10) no . . . .
N(11) Ag(1) Ag(4) N(41) 31.7(4) no . . . .
N(11) Ag(1) Ag(4) N(62) -148.7(4) no . . . .
Ag(4) Ag(1) N(32) N(31) 75.5(8) no . . . .
Ag(4) Ag(1) N(32) C(36) -115.5(8) no . . . .
N(32) Ag(1) Ag(4) N(41) -147.8(4) no . . . .
N(32) Ag(1) Ag(4) N(62) 31.8(4) no . . . .
Ag(5) Ag(2) N(12) N(11) 74.4(8) no . . . .
Ag(5) Ag(2) N(12) C(16) -121.5(9) no . . . .
N(12) Ag(2) Ag(5) N(42) 36.1(4) no . . . .
N(12) Ag(2) Ag(5) N(51) -145.8(4) no . . . .
Ag(5) Ag(2) N(21) N(22) -86.7(7) no . . . .
Ag(5) Ag(2) N(21) C(24) 115.3(10) no . . . .
N(21) Ag(2) Ag(5) N(42) -145.8(4) no . . . .
N(21) Ag(2) Ag(5) N(51) 32.3(4) no . . . .
Ag(6) Ag(3) N(22) N(21) 79.3(7) no . . . .
Ag(6) Ag(3) N(22) C(26) -111.7(8) no . . . .
N(22) Ag(3) Ag(6) N(52) 32.4(4) no . . . .
N(22) Ag(3) Ag(6) N(61) -143.8(4) no . . . .
Ag(6) Ag(3) N(31) N(32) -91.2(7) no . . . .
Ag(6) Ag(3) N(31) C(34) 107.9(9) no . . . .
N(31) Ag(3) Ag(6) N(52) -149.2(4) no . . . .
N(31) Ag(3) Ag(6) N(61) 34.6(4) no . . . .
Ag(1) Ag(4) N(41) N(42) 79.6(7) no . . . .
Ag(1) Ag(4) N(41) C(44) -108.4(9) no . . . .
Ag(1) Ag(4) N(62) N(61) -91.4(9) no . . . .
Ag(1) Ag(4) N(62) C(66) 106.0(9) no . . . .
Ag(2) Ag(5) N(42) N(41) -87.7(7) no . . . .
Ag(2) Ag(5) N(42) C(46) 109.0(9) no . . . .
Ag(2) Ag(5) N(51) N(52) 77.3(8) no . . . .
Ag(2) Ag(5) N(51) C(54) -110.9(8) no . . . .
Ag(3) Ag(6) N(52) N(51) -83.2(6) no . . . .
Ag(3) Ag(6) N(52) C(56) 115.4(9) no . . . .
Ag(3) Ag(6) N(61) N(62) 72.0(8) no . . . .
Ag(3) Ag(6) N(61) C(64) -116.7(9) no . . . .
Ag(1) N(11) N(12) Ag(2) 5.9(13) no . . . .
Ag(1) N(11) N(12) C(16) -161.4(7) no . . . .
Ag(1) N(11) C(14) C(13) -22(2) no . . . .
Ag(1) N(11) C(14) C(15) 159.3(9) no . . . .
N(12) N(11) C(14) C(13) 180.0(11) no . . . .
N(12) N(11) C(14) C(15) 1.6(15) no . . . .
C(14) N(11) N(12) Ag(2) 166.0(10) no . . . .
C(14) N(11) N(12) C(16) -1.3(15) no . . . .
Ag(2) N(12) C(16) C(15) -164.9(8) no . . . .
Ag(2) N(12) C(16) C(17) 15(2) no . . . .
N(11) N(12) C(16) C(15) 0.5(15) no . . . .
N(11) N(12) C(16) C(17) -179.5(11) no . . . .
Ag(2) N(21) N(22) Ag(3) 9.2(12) no . . . .
Ag(2) N(21) N(22) C(26) -161.9(6) no . . . .
Ag(2) N(21) C(24) C(23) -19.7(17) no . . . .
Ag(2) N(21) C(24) C(25) 159.4(8) no . . . .
N(22) N(21) C(24) C(23) 179.8(9) no . . . .
N(22) N(21) C(24) C(25) -1.1(13) no . . . .
C(24) N(21) N(22) Ag(3) 171.9(9) no . . . .
C(24) N(21) N(22) C(26) 0.8(12) no . . . .
Ag(3) N(22) C(26) C(25) -170.1(7) no . . . .
Ag(3) N(22) C(26) C(27) 9.8(18) no . . . .
N(21) N(22) C(26) C(25) -0.2(14) no . . . .
N(21) N(22) C(26) C(27) 179.7(10) no . . . .
Ag(3) N(31) N(32) Ag(1) 6.2(12) no . . . .
Ag(3) N(31) N(32) C(36) -164.7(6) no . . . .
Ag(3) N(31) C(34) C(33) -15.9(18) no . . . .
Ag(3) N(31) C(34) C(35) 161.9(7) no . . . .
N(32) N(31) C(34) C(33) -178.0(10) no . . . .
N(32) N(31) C(34) C(35) -0.3(14) no . . . .
C(34) N(31) N(32) Ag(1) 170.6(9) no . . . .
C(34) N(31) N(32) C(36) -0.3(13) no . . . .
Ag(1) N(32) C(36) C(35) -169.4(8) no . . . .
Ag(1) N(32) C(36) C(37) 8.5(19) no . . . .
N(31) N(32) C(36) C(35) 0.7(13) no . . . .
N(31) N(32) C(36) C(37) 178.6(10) no . . . .
Ag(4) N(41) N(42) Ag(5) 7.6(11) no . . . .
Ag(4) N(41) N(42) C(46) 173.8(6) no . . . .
Ag(4) N(41) C(44) C(43) 7(2) no . . . .
Ag(4) N(41) C(44) C(45) -172.6(8) no . . . .
N(42) N(41) C(44) C(43) 179.1(10) no . . . .
N(42) N(41) C(44) C(45) 0.0(14) no . . . .
C(44) N(41) N(42) Ag(5) -166.4(9) no . . . .
C(44) N(41) N(42) C(46) -0.2(13) no . . . .
Ag(5) N(42) C(46) C(45) 164.6(8) no . . . .
Ag(5) N(42) C(46) C(47) -13.9(18) no . . . .
N(41) N(42) C(46) C(45) 0.2(13) no . . . .
N(41) N(42) C(46) C(47) -178.3(10) no . . . .
Ag(5) N(51) N(52) Ag(6) 7.5(12) no . . . .
Ag(5) N(51) N(52) C(56) 173.2(6) no . . . .
Ag(5) N(51) C(54) C(53) 6.1(18) no . . . .
Ag(5) N(51) C(54) C(55) -172.6(7) no . . . .
N(52) N(51) C(54) C(53) 178.8(10) no . . . .
N(52) N(51) C(54) C(55) 0.0(14) no . . . .
C(54) N(51) N(52) Ag(6) -165.8(9) no . . . .
C(54) N(51) N(52) C(56) -0.1(13) no . . . .
Ag(6) N(52) C(56) C(55) 162.8(8) no . . . .
Ag(6) N(52) C(56) C(57) -15.9(18) no . . . .
N(51) N(52) C(56) C(55) 0.1(13) no . . . .
N(51) N(52) C(56) C(57) -178.5(10) no . . . .
Ag(6) N(61) N(62) Ag(4) 8.3(14) no . . . .
Ag(6) N(61) N(62) C(66) 173.8(7) no . . . .
Ag(6) N(61) C(64) C(63) 7(2) no . . . .
Ag(6) N(61) C(64) C(65) -172.0(8) no . . . .
N(62) N(61) C(64) C(63) 179.2(11) no . . . .
N(62) N(61) C(64) C(65) -0.0(15) no . . . .
C(64) N(61) N(62) Ag(4) -164.7(10) no . . . .
C(64) N(61) N(62) C(66) 0.8(14) no . . . .
Ag(4) N(62) C(66) C(65) 163.3(8) no . . . .
Ag(4) N(62) C(66) C(67) -14.7(19) no . . . .
N(61) N(62) C(66) C(65) -1.1(15) no . . . .
N(61) N(62) C(66) C(67) -179.2(11) no . . . .
C(11) C(13) C(14) N(11) 105.9(17) no . . . .
C(11) C(13) C(14) C(15) -76(2) no . . . .
C(12) C(13) C(14) N(11) -117.0(17) no . . . .
C(12) C(13) C(14) C(15) 61(3) no . . . .
N(11) C(14) C(15) Cl(1) -179.9(11) no . . . .
N(11) C(14) C(15) C(16) -1.3(16) no . . . .
C(13) C(14) C(15) Cl(1) 2(3) no . . . .
C(13) C(14) C(15) C(16) -179.5(16) no . . . .
Cl(1) C(15) C(16) N(12) 179.1(10) no . . . .
Cl(1) C(15) C(16) C(17) -1(3) no . . . .
C(14) C(15) C(16) N(12) 0.5(17) no . . . .
C(14) C(15) C(16) C(17) -179.5(14) no . . . .
N(12) C(16) C(17) C(18) -114.8(15) no . . . .
N(12) C(16) C(17) C(19) 116.8(15) no . . . .
C(15) C(16) C(17) C(18) 65(3) no . . . .
C(15) C(16) C(17) C(19) -63(3) no . . . .
C(21) C(23) C(24) N(21) 109.0(15) no . . . .
C(21) C(23) C(24) C(25) -70(2) no . . . .
C(22) C(23) C(24) N(21) -123.5(15) no . . . .
C(22) C(23) C(24) C(25) 58(3) no . . . .
N(21) C(24) C(25) Cl(2) -179.8(10) no . . . .
N(21) C(24) C(25) C(26) 1.0(15) no . . . .
C(23) C(24) C(25) Cl(2) -1(3) no . . . .
C(23) C(24) C(25) C(26) 179.9(14) no . . . .
Cl(2) C(25) C(26) N(22) -179.7(10) no . . . .
Cl(2) C(25) C(26) C(27) 0(3) no . . . .
C(24) C(25) C(26) N(22) -0.5(16) no . . . .
C(24) C(25) C(26) C(27) 179.6(13) no . . . .
N(22) C(26) C(27) C(28) 119.2(15) no . . . .
N(22) C(26) C(27) C(29) -117.2(15) no . . . .
C(25) C(26) C(27) C(28) -61(3) no . . . .
C(25) C(26) C(27) C(29) 63(2) no . . . .
C(31) C(33) C(34) N(31) 116.2(18) no . . . .
C(31) C(33) C(34) C(35) -61(3) no . . . .
C(32) C(33) C(34) N(31) -118.4(15) no . . . .
C(32) C(33) C(34) C(35) 65(2) no . . . .
N(31) C(34) C(35) Cl(3) -178.6(11) no . . . .
N(31) C(34) C(35) C(36) 0.7(15) no . . . .
C(33) C(34) C(35) Cl(3) -1(3) no . . . .
C(33) C(34) C(35) C(36) 178.1(14) no . . . .
Cl(3) C(35) C(36) N(32) 178.4(10) no . . . .
Cl(3) C(35) C(36) C(37) 1(3) no . . . .
C(34) C(35) C(36) N(32) -0.8(16) no . . . .
C(34) C(35) C(36) C(37) -178.5(13) no . . . .
N(32) C(36) C(37) C(38) -109.6(14) no . . . .
N(32) C(36) C(37) C(39) 123.1(13) no . . . .
C(35) C(36) C(37) C(38) 67.7(19) no . . . .
C(35) C(36) C(37) C(39) -60(2) no . . . .
C(41) C(43) C(44) N(41) 85(3) no . . . .
C(41) C(43) C(44) C(45) -96(3) no . . . .
C(42) C(43) C(44) N(41) -86(3) no . . . .
C(42) C(43) C(44) C(45) 93(3) no . . . .
N(41) C(44) C(45) Cl(4) 178.2(11) no . . . .
N(41) C(44) C(45) C(46) 0.1(17) no . . . .
C(43) C(44) C(45) Cl(4) -1(3) no . . . .
C(43) C(44) C(45) C(46) -178.8(17) no . . . .
Cl(4) C(45) C(46) N(42) -178.2(11) no . . . .
Cl(4) C(45) C(46) C(47) -0(3) no . . . .
C(44) C(45) C(46) N(42) -0.2(17) no . . . .
C(44) C(45) C(46) C(47) 177.8(15) no . . . .
N(42) C(46) C(47) C(48) -129.5(14) no . . . .
N(42) C(46) C(47) C(49) 104.5(15) no . . . .
C(45) C(46) C(47) C(48) 53(3) no . . . .
C(45) C(46) C(47) C(49) -73(3) no . . . .
C(51) C(53) C(54) N(51) 125.3(14) no . . . .
C(51) C(53) C(54) C(55) -56(2) no . . . .
C(52) C(53) C(54) N(51) -108.6(15) no . . . .
C(52) C(53) C(54) C(55) 70(2) no . . . .
N(51) C(54) C(55) Cl(5) 178.9(10) no . . . .
N(51) C(54) C(55) C(56) 0.1(15) no . . . .
C(53) C(54) C(55) Cl(5) 0(3) no . . . .
C(53) C(54) C(55) C(56) -178.5(14) no . . . .
Cl(5) C(55) C(56) N(52) -178.9(9) no . . . .
Cl(5) C(55) C(56) C(57) -0(3) no . . . .
C(54) C(55) C(56) N(52) -0.1(15) no . . . .
C(54) C(55) C(56) C(57) 178.3(13) no . . . .
N(52) C(56) C(57) C(58) -118.3(13) no . . . .
N(52) C(56) C(57) C(59) 119.8(13) no . . . .
C(55) C(56) C(57) C(58) 63.4(19) no . . . .
C(55) C(56) C(57) C(59) -58(2) no . . . .
C(61) C(63) C(64) N(61) -115.3(15) no . . . .
C(61) C(63) C(64) C(65) 64(2) no . . . .
C(62) C(63) C(64) N(61) 120.3(15) no . . . .
C(62) C(63) C(64) C(65) -61(3) no . . . .
N(61) C(64) C(65) Cl(6) -179.6(12) no . . . .
N(61) C(64) C(65) C(66) -0.7(17) no . . . .
C(63) C(64) C(65) Cl(6) 1(3) no . . . .
C(63) C(64) C(65) C(66) -179.8(15) no . . . .
Cl(6) C(65) C(66) N(62) -179.9(11) no . . . .
Cl(6) C(65) C(66) C(67) -2(3) no . . . .
C(64) C(65) C(66) N(62) 1.1(18) no . . . .
C(64) C(65) C(66) C(67) 178.8(15) no . . . .
N(62) C(66) C(67) C(68) 106.6(16) no . . . .
N(62) C(66) C(67) C(69) -117.9(16) no . . . .
C(65) C(66) C(67) C(68) -71(3) no . . . .
C(65) C(66) C(67) C(69) 65(3) no . . . .
C(71) C(72) C(73) C(74) 177(8) no . . . .
C(72) C(73) C(74) C(75) -159(12) no . . . .
C(73) C(74) C(75) C(76) -172(5) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 Ag2 3.4169(17) no . .
Ag1 Ag3 3.4842(16) no . .
Ag1 C13 3.489(17) no . .
Ag1 C37 3.428(15) no . .
Ag2 Ag3 3.4922(17) no . .
Ag2 N41 3.596(13) no . .
Ag2 C17 3.469(17) no . .
Ag2 C23 3.418(17) no . .
Ag3 C27 3.456(18) no . .
Ag3 C33 3.502(18) no . .
Ag4 Ag5 3.3927(16) no . .
Ag4 Ag6 3.5445(16) no . .
Ag4 C43 3.55(3) no . .
Ag4 C67 3.427(19) no . .
Ag5 Ag6 3.4616(17) no . .
Ag5 N22 3.580(13) no . .
Ag5 C47 3.424(16) no . .
Ag5 C53 3.411(16) no . .
Ag6 C57 3.542(15) no . .
Ag6 C63 3.461(17) no . .
Cl1 C12 3.58(2) no . .
Cl1 C13 3.401(17) no . .
Cl1 C17 3.448(17) no . .
Cl2 C22 3.58(2) no . .
Cl2 C23 3.456(18) no . .
Cl2 C27 3.424(19) no . .
Cl2 C28 3.57(2) no . .
Cl2 C29 3.58(3) no . .
Cl3 C32 3.585(18) no . .
Cl3 C33 3.448(18) no . .
Cl3 C37 3.448(16) no . .
Cl3 C39 3.566(18) no . .
Cl4 C43 3.43(3) no . .
Cl4 C47 3.488(19) no . .
Cl4 C48 3.52(2) no . .
Cl5 C51 3.425(17) no . .
Cl5 C53 3.388(16) no . .
Cl5 C57 3.389(16) no . .
Cl5 C58 3.550(19) no . .
Cl5 C59 3.517(19) no . .
Cl6 C62 3.58(2) no . .
Cl6 C63 3.467(17) no . .
Cl6 C67 3.45(2) no . .
N11 C11 3.41(3) no . .
N11 C12 3.54(3) no . .
N12 N41 3.397(16) no . .
N12 C18 3.49(3) no . .
N12 C19 3.47(3) no . .
N21 C21 3.44(3) no . .
N21 C22 3.56(2) no . .
N22 N51 3.328(15) no . .
N22 C28 3.52(3) no . .
N22 C29 3.47(3) no . .
N31 N61 3.496(17) no . .
N31 C31 3.59(3) no . .
N31 C32 3.54(3) no . .
N32 N61 3.311(16) no . .
N32 N62 3.464(18) no . .
N32 C38 3.45(2) no . .
N32 C39 3.56(2) no . .
N41 C41 3.27(3) no . .
N41 C42 3.26(3) no . .
N42 C48 3.54(3) no . .
N42 C49 3.35(3) no . .
N51 C51 3.54(2) no . .
N51 C52 3.453(19) no . .
N52 C58 3.50(3) no . .
N52 C59 3.54(2) no . .
N61 C61 3.49(3) no . .
N61 C62 3.54(3) no . .
N62 C68 3.45(3) no . .
N62 C69 3.54(3) no . .
C11 C15 3.32(3) no . .
C12 C15 3.29(3) no . .
C15 C18 3.32(3) no . .
C15 C19 3.25(3) no . .
C21 C25 3.34(3) no . .
C22 C25 3.30(3) no . .
C25 C28 3.24(3) no . .
C25 C29 3.22(3) no . .
C31 C35 3.39(3) no . .
C32 C35 3.31(3) no . .
C35 C38 3.27(3) no . .
C35 C39 3.26(3) no . .
C41 C45 3.56(3) no . .
C42 C45 3.53(3) no . .
C45 C48 3.22(3) no . .
C45 C49 3.32(3) no . .
C51 C55 3.19(3) no . .
C52 C55 3.31(3) no . .
C55 C58 3.23(3) no . .
C55 C59 3.24(3) no . .
C61 C65 3.26(3) no . .
C62 C65 3.27(3) no . .
C65 C68 3.35(3) no . .
C65 C69 3.33(3) no . .
Cl1 Cl2 3.581(7) no . 4_555
Cl2 Cl1 3.581(7) no . 4_554
O71 O72 2.36(6) no . .
O71 O73 2.06(6) no . .
O72 O71 2.36(6) no . .
O72 O73 2.07(7) no . .
O73 O71 2.06(6) no . .
O73 O72 2.07(7) no . .
C32 C59 3.50(3) no . 3_656
C59 C32 3.50(3) no . 3_656
Ag1 H7 2.8703 no . .
Ag1 H36 2.8252 no . .
Ag2 H8 2.8423 no . .
Ag2 H21 2.8266 no . .
Ag3 H22 2.8495 no . .
Ag3 H35 2.9207 no . .
Ag4 H46 3.4398 no . .
Ag4 H78 2.7826 no . .
Ag5 H50 2.8477 no . .
Ag5 H63 2.7990 no . .
Ag6 H64 2.9366 no . .
Ag6 H77 2.8580 no . .
Cl1 H1 3.1402 no . .
Cl1 H5 3.4489 no . .
Cl1 H6 3.3158 no . .
Cl1 H9 3.3167 no . .
Cl1 H14 2.9423 no . .
Cl2 H15 3.1466 no . .
Cl2 H19 3.4661 no . .
Cl2 H20 3.2390 no . .
Cl2 H25 2.8830 no . .
Cl2 H26 3.1626 no . .
Cl2 H28 3.5817 no . .
Cl2 H58 3.2965 no . .
Cl3 H29 2.9935 no . .
Cl3 H33 3.5587 no . .
Cl3 H34 3.1971 no . .
Cl3 H37 3.2621 no . .
Cl3 H42 2.8714 no . .
Cl3 H75 3.2841 no . .
Cl4 H12 3.3250 no . .
Cl4 H49 2.7845 no . .
Cl4 H51 3.1659 no . .
Cl4 H53 3.3816 no . .
Cl4 H56 3.1967 no . .
Cl5 H23 3.3984 no . .
Cl5 H57 2.7151 no . .
Cl5 H62 3.3337 no . .
Cl5 H65 3.1686 no . .
Cl5 H67 3.5644 no . .
Cl5 H70 2.8426 no . .
Cl6 H40 3.2398 no . .
Cl6 H73 3.2236 no . .
Cl6 H74 2.8897 no . .
Cl6 H81 3.1108 no . .
Cl6 H82 3.2754 no . .
Cl6 H84 3.5736 no . .
N11 H1 3.5960 no . .
N11 H2 3.3840 no . .
N11 H5 3.4141 no . .
N11 H7 2.4323 no . .
N11 H44 3.1320 no . .
N12 H8 2.4270 no . .
N12 H11 3.3371 no . .
N12 H12 3.5536 no . .
N12 H44 3.2737 no . .
N21 H16 3.4772 no . .
N21 H19 3.4474 no . .
N21 H21 2.4282 no . .
N22 H22 2.4838 no . .
N22 H28 3.3213 no . .
N31 H33 3.3501 no . .
N31 H35 2.5327 no . .
N32 H36 2.4836 no . .
N32 H39 3.2300 no . .
N41 H44 3.0095 no . .
N41 H46 3.2470 no . .
N41 H47 3.4074 no . .
N41 H49 3.0870 no . .
N42 H50 2.4499 no . .
N42 H53 3.4582 no . .
N42 H54 3.4140 no . .
N42 H56 3.4340 no . .
N51 H61 3.2832 no . .
N51 H63 2.4448 no . .
N52 H64 2.4437 no . .
N52 H67 3.3442 no . .
N61 H72 3.3175 no . .
N61 H77 2.4750 no . .
N62 H78 2.4805 no . .
N62 H79 3.4972 no . .
N62 H81 3.5362 no . .
N62 H84 3.3779 no . .
C11 H4 2.9146 no . .
C11 H5 3.2778 no . .
C11 H6 2.5848 no . .
C12 H1 2.9666 no . .
C12 H2 3.2508 no . .
C12 H3 2.5650 no . .
C12 H44 3.3938 no . .
C12 H45 3.2191 no . .
C12 H83 3.1535 no . .
C14 H1 2.5306 no . .
C14 H2 2.7731 no . .
C14 H3 3.2673 no . .
C14 H4 3.2296 no . .
C14 H5 2.5024 no . .
C14 H6 3.0015 no . .
C14 H44 2.9600 no . .
C15 H1 2.9926 no . .
C15 H5 3.0789 no . .
C15 H6 3.4852 no . .
C15 H7 3.2918 no . .
C15 H8 3.3201 no . .
C15 H9 3.4144 no . .
C15 H11 3.2025 no . .
C15 H14 2.8563 no . .
C15 H44 2.9575 no . .
C16 H9 2.9086 no . .
C16 H10 3.2495 no . .
C16 H11 2.5049 no . .
C16 H12 2.8402 no . .
C16 H13 3.2213 no . .
C16 H14 2.4801 no . .
C16 H44 3.1712 no . .
C18 H12 3.2055 no . .
C18 H13 2.4410 no . .
C18 H14 2.9157 no . .
C19 H9 2.5048 no . .
C19 H10 2.8315 no . .
C19 H11 3.2385 no . .
C19 H53 3.3722 no . .
C21 H18 2.9878 no . .
C21 H19 3.3447 no . .
C21 H20 2.5808 no . .
C22 H15 3.0261 no . .
C22 H16 3.3191 no . .
C22 H17 2.5819 no . .
C22 H50 3.2774 no . .
C22 H52 2.9428 no . .
C22 H58 3.2623 no . .
C23 H50 3.5024 no . .
C23 H52 3.4884 no . .
C24 H15 2.5718 no . .
C24 H16 2.8915 no . .
C24 H17 3.2955 no . .
C24 H18 3.2852 no . .
C24 H19 2.5231 no . .
C24 H20 2.9511 no . .
C24 H58 3.3300 no . .
C25 H15 2.9965 no . .
C25 H19 3.1157 no . .
C25 H20 3.4266 no . .
C25 H21 3.3457 no . .
C25 H22 3.3146 no . .
C25 H25 2.8648 no . .
C25 H26 3.2864 no . .
C25 H28 3.0958 no . .
C25 H58 3.0632 no . .
C26 H23 2.8791 no . .
C26 H24 3.2547 no . .
C26 H25 2.5227 no . .
C26 H26 2.8465 no . .
C26 H27 3.2137 no . .
C26 H28 2.4636 no . .
C26 H58 3.5703 no . .
C27 H67 3.4718 no . .
C28 H26 2.3720 no . .
C28 H27 2.7356 no . .
C28 H28 3.1747 no . .
C28 H57 3.5949 no . .
C28 H67 2.9678 no . .
C29 H23 3.1408 no . .
C29 H24 2.3580 no . .
C29 H25 2.7999 no . .
C31 H32 2.9352 no . .
C31 H33 3.3272 no . .
C31 H34 2.5799 no . .
C32 H29 2.9904 no . .
C32 H30 3.3037 no . .
C32 H31 2.5444 no . .
C32 H66 3.4851 no . .
C32 H75 2.9387 no . .
C34 H29 2.5939 no . .
C34 H30 2.9927 no . .
C34 H31 3.3337 no . .
C34 H32 3.2707 no . .
C34 H33 2.4760 no . .
C34 H34 2.9243 no . .
C34 H75 3.2604 no . .
C35 H29 3.0024 no . .
C35 H33 3.1358 no . .
C35 H34 3.4008 no . .
C35 H35 3.4085 no . .
C35 H36 3.3315 no . .
C35 H37 3.3389 no . .
C35 H39 3.1406 no . .
C35 H42 2.8505 no . .
C35 H75 3.0620 no . .
C36 H37 2.8883 no . .
C36 H38 3.2386 no . .
C36 H39 2.4695 no . .
C36 H40 2.8792 no . .
C36 H41 3.2641 no . .
C36 H42 2.5076 no . .
C37 H84 3.2297 no . .
C38 H2 3.5519 no . .
C38 H40 3.2999 no . .
C38 H41 2.5714 no . .
C38 H42 2.9816 no . .
C39 H37 2.6095 no . .
C39 H38 2.9243 no . .
C39 H39 3.3226 no . .
C39 H74 3.5289 no . .
C39 H84 2.9220 no . .
C41 H5 2.7957 no . .
C41 H46 2.8886 no . .
C41 H47 3.0967 no . .
C41 H48 2.4772 no . .
C42 H43 2.8344 no . .
C42 H44 3.1307 no . .
C42 H45 2.4901 no . .
C42 H79 3.3608 no . .
C44 H43 2.9737 no . .
C44 H44 2.4778 no . .
C44 H45 3.1922 no . .
C44 H46 2.8495 no . .
C44 H47 2.5259 no . .
C44 H48 3.2506 no . .
C45 H12 3.1226 no . .
C45 H44 3.4962 no . .
C45 H47 3.2554 no . .
C45 H49 2.5460 no . .
C45 H50 3.3293 no . .
C45 H51 3.3401 no . .
C45 H53 3.0357 no . .
C45 H56 2.9226 no . .
C46 H12 3.4933 no . .
C46 H51 2.8516 no . .
C46 H52 3.1957 no . .
C46 H53 2.4579 no . .
C46 H54 2.8454 no . .
C46 H55 3.2067 no . .
C46 H56 2.4309 no . .
C47 H18 3.4203 no . .
C47 H21 3.4915 no . .
C48 H12 3.5234 no . .
C48 H18 2.9333 no . .
C48 H21 3.3134 no . .
C48 H54 3.2751 no . .
C48 H55 2.5412 no . .
C48 H56 2.9502 no . .
C49 H51 2.5319 no . .
C49 H52 2.9183 no . .
C49 H53 3.2981 no . .
C51 H19 3.0986 no . .
C51 H25 3.5002 no . .
C51 H60 2.9823 no . .
C51 H61 3.3252 no . .
C51 H62 2.5490 no . .
C52 H54 3.5579 no . .
C52 H57 2.9960 no . .
C52 H58 3.3204 no . .
C52 H59 2.5355 no . .
C53 H19 3.4836 no . .
C54 H23 3.5517 no . .
C54 H57 2.5408 no . .
C54 H58 2.8651 no . .
C54 H59 3.2434 no . .
C54 H60 3.2614 no . .
C54 H61 2.5255 no . .
C54 H62 2.9511 no . .
C55 H23 3.0279 no . .
C55 H57 2.8099 no . .
C55 H61 3.1811 no . .
C55 H62 3.4360 no . .
C55 H63 3.2999 no . .
C55 H64 3.2842 no . .
C55 H65 3.3331 no . .
C55 H67 3.1010 no . .
C55 H70 2.8663 no . .
C56 H23 3.2016 no . .
C56 H65 2.9087 no . .
C56 H66 3.2201 no . .
C56 H67 2.4826 no . .
C56 H68 2.9027 no . .
C56 H69 3.2660 no . .
C56 H70 2.5509 no . .
C58 H23 3.0311 no . .
C58 H32 3.4289 no . .
C58 H68 3.2037 no . .
C58 H69 2.4122 no . .
C58 H70 2.8710 no . .
C59 H65 2.4641 no . .
C59 H66 2.8001 no . .
C59 H67 3.2308 no . .
C61 H74 2.9885 no . .
C61 H75 3.3356 no . .
C61 H76 2.5871 no . .
C62 H33 2.8981 no . .
C62 H42 3.5655 no . .
C62 H71 2.9658 no . .
C62 H72 3.3475 no . .
C62 H73 2.5938 no . .
C63 H33 3.2786 no . .
C64 H71 3.2600 no . .
C64 H72 2.5014 no . .
C64 H73 2.9107 no . .
C64 H74 2.5055 no . .
C64 H75 2.9093 no . .
C64 H76 3.2779 no . .
C65 H40 3.0652 no . .
C65 H72 3.1194 no . .
C65 H73 3.3416 no . .
C65 H74 2.8504 no . .
C65 H77 3.3485 no . .
C65 H78 3.3503 no . .
C65 H81 2.9428 no . .
C65 H82 3.4597 no . .
C65 H84 3.1634 no . .
C66 H40 3.2481 no . .
C66 H79 2.8863 no . .
C66 H80 3.2953 no . .
C66 H81 2.4955 no . .
C66 H82 2.9498 no . .
C66 H83 3.2520 no . .
C66 H84 2.4907 no . .
C68 H46 3.3763 no . .
C68 H82 2.6792 no . .
C68 H83 2.9532 no . .
C68 H84 3.3519 no . .
C69 H4 3.2169 no . .
C69 H7 3.4688 no . .
C69 H36 3.5264 no . .
C69 H40 2.9971 no . .
C69 H79 3.3021 no . .
C69 H80 2.6443 no . .
C69 H81 3.0489 no . .
H1 H4 3.5520 no . .
H1 H6 2.8225 no . .
H1 H7 2.6892 no . .
H2 H4 3.5110 no . .
H2 H6 3.4623 no . .
H2 H7 2.0851 no . .
H2 H36 3.2373 no . .
H2 H38 2.9631 no . .
H2 H39 3.4902 no . .
H3 H4 2.7489 no . .
H3 H5 3.4594 no . .
H3 H6 2.4405 no . .
H3 H7 2.3911 no . .
H4 H7 2.0642 no . .
H4 H45 3.4458 no . .
H4 H78 3.4921 no . .
H4 H83 2.3371 no . .
H4 H84 3.3979 no . .
H5 H7 2.4013 no . .
H5 H43 3.1666 no . .
H5 H44 2.5299 no . .
H5 H45 2.3126 no . .
H5 H83 3.3639 no . .
H6 H7 2.6671 no . .
H7 H36 2.9778 no . .
H7 H78 3.4122 no . .
H7 H83 3.0149 no . .
H7 H84 3.1629 no . .
H8 H9 2.7018 no . .
H8 H10 2.1282 no . .
H8 H11 2.3992 no . .
H8 H12 2.1280 no . .
H8 H13 2.4305 no . .
H8 H14 2.7067 no . .
H8 H16 3.2997 no . .
H8 H21 3.1135 no . .
H8 H53 3.0627 no . .
H9 H12 3.3929 no . .
H9 H13 2.3069 no . .
H9 H14 2.7384 no . .
H10 H12 3.4383 no . .
H10 H13 2.5911 no . .
H10 H14 3.4800 no . .
H10 H16 3.0420 no . .
H11 H13 3.3512 no . .
H11 H14 3.5852 no . .
H12 H53 2.6346 no . .
H13 H53 3.5191 no . .
H14 H43 3.5957 no . .
H14 H44 3.3035 no . .
H15 H20 2.8178 no . .
H15 H21 2.8084 no . .
H16 H18 3.5992 no . .
H16 H20 3.4626 no . .
H16 H21 2.2313 no . .
H17 H18 2.7785 no . .
H17 H19 3.4778 no . .
H17 H20 2.4065 no . .
H17 H21 2.5054 no . .
H18 H21 2.1495 no . .
H18 H50 2.9078 no . .
H18 H52 2.0832 no . .
H18 H53 3.2310 no . .
H19 H21 2.4402 no . .
H19 H50 3.0675 no . .
H19 H52 3.2516 no . .
H19 H58 2.3782 no . .
H19 H59 3.2262 no . .
H19 H63 2.8950 no . .
H20 H21 2.7072 no . .
H20 H58 3.5108 no . .
H21 H50 2.8930 no . .
H21 H52 2.9619 no . .
H21 H53 3.0936 no . .
H22 H23 2.1507 no . .
H22 H24 2.4197 no . .
H22 H25 2.7214 no . .
H22 H26 2.6742 no . .
H22 H27 2.0995 no . .
H22 H28 2.4050 no . .
H22 H35 3.0752 no . .
H22 H67 2.9506 no . .
H23 H26 3.2787 no . .
H23 H27 3.3742 no . .
H23 H57 3.3158 no . .
H23 H65 3.2189 no . .
H23 H67 2.1804 no . .
H24 H26 2.1932 no . .
H24 H27 2.4768 no . .
H24 H28 3.2812 no . .
H24 H67 3.1382 no . .
H25 H26 2.5567 no . .
H25 H27 3.3622 no . .
H25 H28 3.4907 no . .
H25 H57 2.9911 no . .
H25 H58 3.1384 no . .
H27 H30 3.5480 no . .
H29 H32 3.5628 no . .
H29 H34 2.8053 no . .
H29 H35 2.7531 no . .
H30 H32 3.5533 no . .
H30 H34 3.4673 no . .
H30 H35 2.1878 no . .
H31 H32 2.7150 no . .
H31 H33 3.4473 no . .
H31 H34 2.3913 no . .
H31 H35 2.5027 no . .
H32 H35 2.2105 no . .
H32 H64 3.2117 no . .
H32 H66 2.6372 no . .
H33 H35 2.4832 no . .
H33 H64 3.3927 no . .
H33 H75 2.1059 no . .
H33 H76 3.1994 no . .
H33 H77 2.7166 no . .
H34 H35 2.7681 no . .
H34 H75 3.0551 no . .
H35 H64 3.4892 no . .
H35 H66 3.3855 no . .
H35 H67 3.3671 no . .
H36 H37 2.7726 no . .
H36 H38 2.2111 no . .
H36 H39 2.4687 no . .
H36 H40 2.1387 no . .
H36 H41 2.4738 no . .
H36 H42 2.7189 no . .
H36 H84 2.6145 no . .
H37 H40 3.4972 no . .
H37 H41 2.4577 no . .
H37 H42 2.8195 no . .
H38 H40 3.5460 no . .
H38 H41 2.7233 no . .
H38 H42 3.5449 no . .
H39 H41 3.4740 no . .
H40 H74 3.3079 no . .
H40 H82 3.1346 no . .
H40 H84 2.1625 no . .
H41 H84 3.1945 no . .
H42 H74 2.8872 no . .
H42 H75 3.3803 no . .
H43 H46 3.5079 no . .
H43 H47 3.3886 no . .
H43 H48 2.6966 no . .
H43 H49 1.6900 no . .
H44 H46 3.4926 no . .
H44 H48 3.3605 no . .
H44 H49 2.2725 no . .
H45 H46 2.7675 no . .
H45 H47 3.3523 no . .
H45 H48 2.3677 no . .
H45 H49 2.3517 no . .
H45 H78 3.3697 no . .
H46 H49 2.5891 no . .
H46 H78 3.3153 no . .
H46 H79 2.4846 no . .
H47 H49 1.9366 no . .
H48 H49 2.0255 no . .
H48 H79 3.5279 no . .
H50 H51 2.7049 no . .
H50 H52 2.1330 no . .
H50 H53 2.4467 no . .
H50 H54 2.1952 no . .
H50 H55 2.4983 no . .
H50 H56 2.7404 no . .
H50 H63 2.9271 no . .
H51 H54 3.4207 no . .
H51 H55 2.3557 no . .
H51 H56 2.7547 no . .
H52 H54 3.5360 no . .
H52 H55 2.7302 no . .
H52 H56 3.5404 no . .
H53 H55 3.4418 no . .
H53 H56 3.5982 no . .
H54 H60 2.8765 no . .
H54 H63 3.1945 no . .
H57 H60 3.5999 no . .
H57 H62 2.7735 no . .
H57 H63 2.7791 no . .
H58 H62 3.4396 no . .
H58 H63 2.2030 no . .
H59 H60 2.7469 no . .
H59 H61 3.4298 no . .
H59 H62 2.3412 no . .
H59 H63 2.4632 no . .
H60 H63 2.1976 no . .
H61 H63 2.5136 no . .
H62 H63 2.7388 no . .
H64 H65 2.7652 no . .
H64 H66 2.1720 no . .
H64 H67 2.4707 no . .
H64 H68 2.1692 no . .
H64 H69 2.4729 no . .
H64 H70 2.7494 no . .
H64 H77 3.2626 no . .
H65 H68 3.3639 no . .
H65 H69 2.2622 no . .
H65 H70 2.6680 no . .
H66 H68 3.4294 no . .
H66 H69 2.5464 no . .
H66 H70 3.4310 no . .
H67 H69 3.3291 no . .
H67 H70 3.5523 no . .
H71 H74 3.5709 no . .
H71 H75 3.5998 no . .
H71 H76 2.7664 no . .
H71 H77 2.2417 no . .
H72 H76 3.4869 no . .
H72 H77 2.5228 no . .
H73 H74 2.7963 no . .
H73 H75 3.4866 no . .
H73 H76 2.4251 no . .
H73 H77 2.7898 no . .
H74 H77 2.7495 no . .
H75 H77 2.1955 no . .
H76 H77 2.5170 no . .
H78 H79 2.1206 no . .
H78 H80 2.4823 no . .
H78 H81 2.6957 no . .
H78 H82 2.7036 no . .
H78 H83 2.0951 no . .
H78 H84 2.3929 no . .
H79 H82 3.5407 no . .
H79 H83 3.5233 no . .
H80 H82 2.5361 no . .
H80 H83 2.8130 no . .
H80 H84 3.5386 no . .
H81 H82 2.9465 no . .
Cl1 H26 3.5127 no . 4_555
Cl1 H47 3.3623 no . 1_655
Cl1 H48 3.5994 no . 1_655
Cl1 H62 2.7820 no . 4_655
Cl2 H5 3.5028 no . 4_554
Cl2 H6 3.5908 no . 4_554
Cl2 H43 3.2830 no . 4_554
Cl2 H62 3.5873 no . 1_655
Cl3 H12 3.5692 no . 2_746
Cl3 H13 3.2377 no . 2_746
Cl3 H51 3.3333 no . 2_746
Cl3 H53 3.2746 no . 2_746
Cl3 H72 3.5502 no . 1_655
Cl4 H73 3.4206 no . 2_656
Cl5 H9 3.4134 no . 4_454
Cl6 H55 2.8095 no . 2_646
O71 H11 3.2925 no . 4_454
O72 H39 3.5021 no . 4_454
O73 H28 3.5617 no . 4_454
C11 H46 3.5839 no . 1_655
C11 H79 3.2134 no . 1_655
C15 H47 3.5886 no . 1_655
C18 H76 3.5848 no . 2_756
C19 H24 3.3156 no . 4_555
C21 H54 3.4149 no . 1_655
C22 H41 3.2330 no . 2_756
C28 H14 3.4750 no . 4_554
C28 H43 3.5035 no . 4_554
C29 H61 3.3863 no . 1_655
C31 H31 3.2956 no . 3_756
C31 H32 3.2481 no . 3_756
C31 H66 3.0597 no . 3_756
C32 H31 3.4032 no . 3_756
C32 H68 3.4929 no . 3_656
C32 H69 3.1264 no . 3_656
C32 H70 3.3112 no . 3_656
C33 H31 3.4600 no . 3_756
C38 H52 3.5013 no . 2_746
C38 H81 3.2936 no . 1_655
C39 H17 3.4210 no . 2_746
C39 H18 3.4375 no . 2_746
C39 H52 3.5007 no . 2_746
C41 H25 3.5466 no . 4_555
C41 H57 3.5116 no . 4_555
C42 H1 3.2142 no . 1_455
C42 H57 3.5497 no . 4_555
C42 H59 3.5771 no . 4_555
C48 H37 3.0599 no . 2_756
C49 H16 3.3810 no . 1_455
C51 H43 3.3057 no . 4_554
C51 H48 3.1814 no . 4_554
C52 H28 3.4620 no . 1_455
C57 H69 3.4796 no . 3_656
C58 H29 3.4391 no . 3_756
C58 H31 3.2851 no . 3_756
C58 H68 3.5868 no . 3_656
C58 H71 3.2179 no . 3_656
C59 H32 2.9020 no . 3_656
C59 H33 3.4095 no . 3_656
C59 H66 3.3003 no . 3_656
C59 H69 3.4178 no . 3_656
C61 H29 3.3759 no . 1_455
C61 H65 3.3665 no . 3_656
C62 H10 3.4990 no . 2_746
C68 H2 3.3063 no . 1_455
C68 H38 3.5798 no . 1_455
C71 H4 3.5308 no . 1_554
C71 H20 3.5079 no . 4_554
C71 H83 3.5898 no . 3_756
C72 H20 3.5493 no . 4_554
C75 H82 3.5186 no . 3_656
C76 H6 3.0339 no . 1_454
C76 H60 3.4253 no . 4_554
C76 H82 3.1582 no . 3_656
H1 C42 3.2142 no . 1_655
H1 H46 2.8056 no . 1_655
H1 H47 3.2954 no . 1_655
H1 H48 3.0242 no . 1_655
H1 H79 2.9951 no . 1_655
H2 C68 3.3063 no . 1_655
H2 H46 3.5368 no . 1_655
H2 H79 2.7749 no . 1_655
H2 H80 3.4772 no . 1_655
H2 H81 3.1677 no . 1_655
H3 H79 3.3682 no . 1_655
H3 H80 3.4901 no . 1_655
H4 C71 3.5308 no . 1_556
H5 Cl2 3.5028 no . 4_555
H6 Cl2 3.5908 no . 4_555
H6 C76 3.0339 no . 1_656
H9 Cl5 3.4134 no . 4_655
H9 H47 3.4882 no . 1_655
H9 H76 3.1795 no . 2_756
H10 C62 3.4990 no . 2_756
H10 H56 3.1528 no . 1_655
H10 H74 3.1306 no . 2_756
H10 H76 3.0892 no . 2_756
H11 O71 3.2925 no . 4_655
H11 H47 2.9182 no . 1_655
H11 H56 3.3554 no . 1_655
H12 Cl3 3.5692 no . 2_756
H12 H24 3.3216 no . 4_555
H13 Cl3 3.2377 no . 2_756
H13 H24 3.3101 no . 4_555
H13 H26 3.5864 no . 4_555
H13 H75 3.5953 no . 2_756
H14 C28 3.4750 no . 4_555
H14 H24 2.7951 no . 4_555
H14 H25 3.3233 no . 4_555
H14 H26 2.8941 no . 4_555
H15 H54 3.0333 no . 1_655
H15 H60 3.0449 no . 1_655
H15 H61 3.5726 no . 1_655
H16 C49 3.3810 no . 1_655
H16 H54 3.0291 no . 1_655
H16 H55 3.5504 no . 1_655
H16 H56 3.0430 no . 1_655
H17 C39 3.4210 no . 2_756
H17 H40 3.3131 no . 2_756
H17 H41 3.0316 no . 2_756
H17 H42 3.3616 no . 2_756
H18 C39 3.4375 no . 2_756
H18 H41 2.5596 no . 2_756
H18 H42 3.5757 no . 2_756
H20 C71 3.5079 no . 4_555
H20 C72 3.5493 no . 4_555
H20 H41 3.1418 no . 2_756
H24 C19 3.3156 no . 4_554
H24 H12 3.3216 no . 4_554
H24 H13 3.3101 no . 4_554
H24 H14 2.7951 no . 4_554
H25 C41 3.5466 no . 4_554
H25 H14 3.3233 no . 4_554
H25 H43 2.6284 no . 4_554
H25 H49 3.5515 no . 4_554
H26 Cl1 3.5127 no . 4_554
H26 H13 3.5864 no . 4_554
H26 H14 2.8941 no . 4_554
H26 H61 3.3127 no . 1_655
H26 H62 3.5238 no . 1_655
H27 H34 2.9929 no . 3_756
H27 H70 2.9430 no . 1_655
H28 O73 3.5617 no . 4_655
H28 C52 3.4620 no . 1_655
H28 H61 2.6300 no . 1_655
H28 H62 3.5076 no . 1_655
H28 H70 3.5865 no . 1_655
H29 C58 3.4391 no . 3_756
H29 C61 3.3759 no . 1_655
H29 H65 3.4175 no . 3_756
H29 H66 2.9094 no . 3_756
H29 H67 3.4582 no . 3_756
H29 H71 2.7448 no . 1_655
H29 H72 3.1714 no . 1_655
H30 H31 3.3476 no . 3_756
H30 H32 2.8964 no . 3_756
H30 H66 3.0985 no . 3_756
H30 H68 2.9039 no . 1_655
H31 C31 3.2956 no . 3_756
H31 C32 3.4032 no . 3_756
H31 C33 3.4600 no . 3_756
H31 C58 3.2851 no . 3_756
H31 H30 3.3476 no . 3_756
H31 H31 2.7231 no . 3_756
H31 H32 2.7288 no . 3_756
H31 H35 3.1653 no . 3_756
H31 H66 2.6680 no . 3_756
H31 H67 3.1013 no . 3_756
H32 C31 3.2481 no . 3_756
H32 C59 2.9020 no . 3_656
H32 H30 2.8964 no . 3_756
H32 H31 2.7288 no . 3_756
H32 H68 2.7170 no . 3_656
H32 H69 2.6021 no . 3_656
H32 H70 2.8979 no . 3_656
H33 C59 3.4095 no . 3_656
H33 H69 2.8584 no . 3_656
H33 H70 3.2388 no . 3_656
H34 H27 2.9929 no . 3_756
H34 H69 3.5084 no . 3_656
H34 H70 3.2567 no . 3_656
H35 H31 3.1653 no . 3_756
H37 C48 3.0599 no . 2_746
H37 H51 2.6875 no . 2_746
H37 H52 2.6222 no . 2_746
H37 H53 3.4836 no . 2_746
H37 H72 3.5290 no . 1_655
H38 C68 3.5798 no . 1_655
H38 H81 2.7374 no . 1_655
H39 O72 3.5021 no . 4_655
H39 H72 3.0711 no . 1_655
H39 H81 3.0668 no . 1_655
H40 H17 3.3131 no . 2_746
H41 C22 3.2330 no . 2_746
H41 H17 3.0316 no . 2_746
H41 H18 2.5596 no . 2_746
H41 H20 3.1418 no . 2_746
H41 H52 2.9204 no . 2_746
H42 H17 3.3616 no . 2_746
H42 H18 3.5757 no . 2_746
H42 H52 3.3225 no . 2_746
H42 H53 3.5386 no . 2_746
H43 Cl2 3.2830 no . 4_555
H43 C28 3.5035 no . 4_555
H43 C51 3.3057 no . 4_555
H43 H25 2.6284 no . 4_555
H43 H57 2.8341 no . 4_555
H43 H58 3.1193 no . 4_555
H43 H59 3.4522 no . 4_555
H46 C11 3.5839 no . 1_455
H46 H1 2.8056 no . 1_455
H46 H2 3.5368 no . 1_455
H47 Cl1 3.3623 no . 1_455
H47 C15 3.5886 no . 1_455
H47 H1 3.2954 no . 1_455
H47 H9 3.4882 no . 1_455
H47 H11 2.9182 no . 1_455
H48 Cl1 3.5994 no . 1_455
H48 C51 3.1814 no . 4_555
H48 H1 3.0242 no . 1_455
H48 H57 2.8774 no . 4_555
H48 H59 2.6660 no . 4_555
H49 H25 3.5515 no . 4_555
H49 H57 2.9706 no . 4_555
H51 Cl3 3.3333 no . 2_756
H51 H37 2.6875 no . 2_756
H51 H73 2.9832 no . 2_656
H52 C38 3.5013 no . 2_756
H52 C39 3.5007 no . 2_756
H52 H37 2.6222 no . 2_756
H52 H41 2.9204 no . 2_756
H52 H42 3.3225 no . 2_756
H53 Cl3 3.2746 no . 2_756
H53 H37 3.4836 no . 2_756
H53 H42 3.5386 no . 2_756
H54 C21 3.4149 no . 1_455
H54 H15 3.0333 no . 1_455
H54 H16 3.0291 no . 1_455
H55 Cl6 2.8095 no . 2_656
H55 H16 3.5504 no . 1_455
H56 H10 3.1528 no . 1_455
H56 H11 3.3554 no . 1_455
H56 H16 3.0430 no . 1_455
H57 C41 3.5116 no . 4_554
H57 C42 3.5497 no . 4_554
H57 H43 2.8341 no . 4_554
H57 H48 2.8774 no . 4_554
H57 H49 2.9706 no . 4_554
H58 H43 3.1193 no . 4_554
H59 C42 3.5771 no . 4_554
H59 H43 3.4522 no . 4_554
H59 H48 2.6660 no . 4_554
H60 C76 3.4253 no . 4_555
H60 H15 3.0449 no . 1_455
H61 C29 3.3863 no . 1_455
H61 H15 3.5726 no . 1_455
H61 H26 3.3127 no . 1_455
H61 H28 2.6300 no . 1_455
H62 Cl1 2.7820 no . 4_454
H62 Cl2 3.5873 no . 1_455
H62 H26 3.5238 no . 1_455
H62 H28 3.5076 no . 1_455
H64 H69 2.9594 no . 3_656
H65 C61 3.3665 no . 3_656
H65 H29 3.4175 no . 3_756
H65 H71 2.4914 no . 3_656
H65 H76 3.5268 no . 3_656
H66 C31 3.0597 no . 3_756
H66 C59 3.3003 no . 3_656
H66 H29 2.9094 no . 3_756
H66 H30 3.0985 no . 3_756
H66 H31 2.6680 no . 3_756
H66 H68 2.7497 no . 3_656
H66 H69 2.9767 no . 3_656
H66 H71 3.1528 no . 3_656
H67 H29 3.4582 no . 3_756
H67 H31 3.1013 no . 3_756
H68 C32 3.4929 no . 3_656
H68 C58 3.5868 no . 3_656
H68 H30 2.9039 no . 1_455
H68 H32 2.7170 no . 3_656
H68 H66 2.7497 no . 3_656
H68 H69 3.2813 no . 3_656
H69 C32 3.1264 no . 3_656
H69 C57 3.4796 no . 3_656
H69 C59 3.4178 no . 3_656
H69 H32 2.6021 no . 3_656
H69 H33 2.8584 no . 3_656
H69 H34 3.5084 no . 3_656
H69 H64 2.9594 no . 3_656
H69 H66 2.9767 no . 3_656
H69 H68 3.2813 no . 3_656
H69 H69 3.0326 no . 3_656
H69 H77 3.3814 no . 3_656
H70 C32 3.3112 no . 3_656
H70 H27 2.9430 no . 1_455
H70 H28 3.5865 no . 1_455
H70 H32 2.8979 no . 3_656
H70 H33 3.2388 no . 3_656
H70 H34 3.2567 no . 3_656
H71 C58 3.2179 no . 3_656
H71 H29 2.7448 no . 1_455
H71 H65 2.4914 no . 3_656
H71 H66 3.1528 no . 3_656
H72 Cl3 3.5502 no . 1_455
H72 H29 3.1714 no . 1_455
H72 H37 3.5290 no . 1_455
H72 H39 3.0711 no . 1_455
H73 Cl4 3.4206 no . 2_646
H73 H51 2.9832 no . 2_646
H74 H10 3.1306 no . 2_746
H75 H13 3.5953 no . 2_746
H76 C18 3.5848 no . 2_746
H76 H9 3.1795 no . 2_746
H76 H10 3.0892 no . 2_746
H76 H65 3.5268 no . 3_656
H77 H69 3.3814 no . 3_656
H79 C11 3.2134 no . 1_455
H79 H1 2.9951 no . 1_455
H79 H2 2.7749 no . 1_455
H79 H3 3.3682 no . 1_455
H80 H2 3.4772 no . 1_455
H80 H3 3.4901 no . 1_455
H81 C38 3.2936 no . 1_455
H81 H2 3.1677 no . 1_455
H81 H38 2.7374 no . 1_455
H81 H39 3.0668 no . 1_455
H82 C75 3.5186 no . 3_656
H82 C76 3.1582 no . 3_656
H83 C71 3.5898 no . 3_756
_database_code_depnum_ccdc_archive 'CCDC 993077'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data__[Ag(L1I)]

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C27 H42 Ag3 I3 N6'
_chemical_formula_moiety         'C27 H42 Ag3 I3 N6'
_chemical_formula_weight         1154.99
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_Int_Tables_number      33
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2+Z
3 1/2+X,1/2-Y,+Z
4 -X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   11.5188(10)
_cell_length_b                   23.8743(13)
_cell_length_c                   14.0966(7)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     3876.6(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    733
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    190
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2184.00
_exptl_absorpt_coefficient_mu    3.910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.484
_exptl_absorpt_correction_T_max  0.676

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      190
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            30308
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using reflections with F² > 3.0 sigma(F²).
    The weighted     R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 3.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             8546
_reflns_number_gt                4145
_reflns_threshold_expression     F²>3.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0755
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         4145
_refine_ls_number_parameters     395
_refine_ls_goodness_of_fit_ref   1.628
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     'w = 1/σ²(Fo²)'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.587
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3956 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.25(8)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
I I -0.4742 1.8119
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.56280(6) 0.35321(2) 0.91836(13) 0.04659(16) Uani 1.0 4 d . . .
I2 I 0.39500(6) -0.06011(3) 0.44183(13) 0.0551(2) Uani 1.0 4 d . . .
I3 I 0.06126(5) -0.05726(3) 1.23086(12) 0.04287(15) Uani 1.0 4 d . . .
Ag1 Ag 0.33518(6) 0.12060(3) 0.99299(9) 0.03956(17) Uani 1.0 4 d . . .
Ag2 Ag 0.42405(6) 0.11963(3) 0.75957(9) 0.03703(16) Uani 1.0 4 d . . .
Ag3 Ag 0.24299(5) 0.01841(3) 0.84211(10) 0.03646(16) Uani 1.0 4 d . . .
N11 N 0.4142(6) 0.1924(3) 0.9329(6) 0.040(2) Uani 1.0 4 d . . .
N12 N 0.4705(6) 0.1865(3) 0.8477(5) 0.0349(17) Uani 1.0 4 d . . .
N21 N 0.3766(7) 0.0540(4) 0.6708(6) 0.041(2) Uani 1.0 4 d . . .
N22 N 0.3190(6) 0.0093(3) 0.7104(6) 0.0384(19) Uani 1.0 4 d . . .
N31 N 0.1806(6) 0.0210(3) 0.9799(5) 0.0323(18) Uani 1.0 4 d . . .
N32 N 0.2422(6) 0.0512(3) 1.0464(5) 0.0337(18) Uani 1.0 4 d . . .
C11 C 0.2540(10) 0.2620(6) 1.0625(10) 0.070(4) Uani 1.0 4 d . . .
C12 C 0.4419(13) 0.2399(7) 1.1421(9) 0.081(5) Uani 1.0 4 d . . .
C13 C 0.3868(10) 0.2643(5) 1.0592(8) 0.053(3) Uani 1.0 4 d . . .
C14 C 0.4350(8) 0.2441(4) 0.9663(6) 0.038(3) Uani 1.0 4 d . . .
C15 C 0.5050(8) 0.2704(4) 0.9003(7) 0.038(3) Uani 1.0 4 d . . .
C16 C 0.5264(7) 0.2344(4) 0.8280(7) 0.035(2) Uani 1.0 4 d . . .
C17 C 0.5999(9) 0.2377(5) 0.7409(8) 0.055(3) Uani 1.0 4 d . . .
C18 C 0.7230(11) 0.2298(8) 0.7608(12) 0.103(6) Uani 1.0 4 d . . .
C19 C 0.5680(14) 0.2831(7) 0.6744(12) 0.095(6) Uani 1.0 4 d . . .
C21 C 0.5947(10) 0.0875(7) 0.5505(12) 0.078(5) Uani 1.0 4 d . . .
C22 C 0.4082(14) 0.1363(9) 0.5050(14) 0.112(7) Uani 1.0 4 d . . .
C23 C 0.4742(11) 0.0798(6) 0.5192(8) 0.060(4) Uani 1.0 4 d . . .
C24 C 0.4095(9) 0.0402(5) 0.5832(7) 0.044(3) Uani 1.0 4 d . . .
C25 C 0.3709(7) -0.0135(4) 0.5648(7) 0.037(3) Uani 1.0 4 d . . .
C26 C 0.3138(8) -0.0320(4) 0.6478(7) 0.037(3) Uani 1.0 4 d . . .
C27 C 0.2574(8) -0.0872(4) 0.6661(8) 0.045(3) Uani 1.0 4 d . . .
C28 C 0.3058(10) -0.1158(5) 0.7547(11) 0.067(4) Uani 1.0 4 d . . .
C29 C 0.1265(9) -0.0830(6) 0.6743(10) 0.064(4) Uani 1.0 4 d . . .
C31 C -0.0957(9) -0.0413(7) 0.9889(10) 0.069(4) Uani 1.0 4 d . . .
C32 C 0.0667(12) -0.1151(5) 0.9772(9) 0.068(4) Uani 1.0 4 d . . .
C33 C 0.0340(8) -0.0529(4) 0.9669(7) 0.043(3) Uani 1.0 4 d . . .
C34 C 0.1111(7) -0.0162(4) 1.0245(6) 0.035(2) Uani 1.0 4 d . . .
C35 C 0.1298(7) -0.0101(4) 1.1209(6) 0.032(2) Uani 1.0 4 d . . .
C36 C 0.2117(7) 0.0330(4) 1.1336(6) 0.032(2) Uani 1.0 4 d . . .
C37 C 0.2582(7) 0.0570(4) 1.2226(6) 0.038(3) Uani 1.0 4 d . . .
C38 C 0.2027(10) 0.1126(5) 1.2433(8) 0.059(4) Uani 1.0 4 d . . .
C39 C 0.3908(9) 0.0608(5) 1.2199(9) 0.059(4) Uani 1.0 4 d . . .
H1 H 0.2260 0.2814 1.1175 0.0835 Uiso 1.0 4 calc R . .
H2 H 0.2224 0.2790 1.0064 0.0835 Uiso 1.0 4 calc R . .
H3 H 0.2302 0.2235 1.0654 0.0835 Uiso 1.0 4 calc R . .
H4 H 0.5228 0.2495 1.1405 0.0973 Uiso 1.0 4 calc R . .
H5 H 0.4078 0.2541 1.1994 0.0973 Uiso 1.0 4 calc R . .
H6 H 0.4335 0.1999 1.1403 0.0973 Uiso 1.0 4 calc R . .
H7 H 0.4053 0.3043 1.0617 0.0641 Uiso 1.0 4 calc R . .
H8 H 0.5794 0.2035 0.7064 0.0663 Uiso 1.0 4 calc R . .
H9 H 0.7361 0.1943 0.7908 0.1234 Uiso 1.0 4 calc R . .
H10 H 0.7664 0.2316 0.7027 0.1234 Uiso 1.0 4 calc R . .
H11 H 0.7479 0.2593 0.8023 0.1234 Uiso 1.0 4 calc R . .
H12 H 0.5759 0.3184 0.7062 0.1146 Uiso 1.0 4 calc R . .
H13 H 0.6174 0.2825 0.6195 0.1146 Uiso 1.0 4 calc R . .
H14 H 0.4888 0.2781 0.6550 0.1146 Uiso 1.0 4 calc R . .
H15 H 0.6350 0.0523 0.5518 0.0932 Uiso 1.0 4 calc R . .
H16 H 0.6335 0.1126 0.5077 0.0932 Uiso 1.0 4 calc R . .
H17 H 0.5942 0.1035 0.6130 0.0932 Uiso 1.0 4 calc R . .
H18 H 0.4466 0.1592 0.4587 0.1348 Uiso 1.0 4 calc R . .
H19 H 0.3306 0.1283 0.4840 0.1348 Uiso 1.0 4 calc R . .
H20 H 0.4053 0.1558 0.5645 0.1348 Uiso 1.0 4 calc R . .
H21 H 0.4779 0.0617 0.4569 0.0721 Uiso 1.0 4 calc R . .
H22 H 0.2747 -0.1117 0.6121 0.0540 Uiso 1.0 4 calc R . .
H23 H 0.2919 -0.0921 0.8085 0.0804 Uiso 1.0 4 calc R . .
H24 H 0.2676 -0.1511 0.7640 0.0805 Uiso 1.0 4 calc R . .
H25 H 0.3878 -0.1218 0.7477 0.0805 Uiso 1.0 4 calc R . .
H26 H 0.0958 -0.0681 0.6162 0.0771 Uiso 1.0 4 calc R . .
H27 H 0.0936 -0.1193 0.6857 0.0771 Uiso 1.0 4 calc R . .
H28 H 0.1072 -0.0584 0.7258 0.0771 Uiso 1.0 4 calc R . .
H29 H -0.1143 -0.0030 0.9750 0.0824 Uiso 1.0 4 calc R . .
H30 H -0.1430 -0.0656 0.9506 0.0824 Uiso 1.0 4 calc R . .
H31 H -0.1103 -0.0487 1.0547 0.0824 Uiso 1.0 4 calc R . .
H32 H 0.0597 -0.1263 1.0424 0.0822 Uiso 1.0 4 calc R . .
H33 H 0.0163 -0.1378 0.9388 0.0822 Uiso 1.0 4 calc R . .
H34 H 0.1455 -0.1201 0.9568 0.0822 Uiso 1.0 4 calc R . .
H35 H 0.0465 -0.0426 0.9004 0.0512 Uiso 1.0 4 calc R . .
H36 H 0.2375 0.0315 1.2744 0.0457 Uiso 1.0 4 calc R . .
H37 H 0.2035 0.1349 1.1866 0.0706 Uiso 1.0 4 calc R . .
H38 H 0.1240 0.1074 1.2639 0.0706 Uiso 1.0 4 calc R . .
H39 H 0.2458 0.1313 1.2922 0.0706 Uiso 1.0 4 calc R . .
H40 H 0.4130 0.0849 1.1685 0.0707 Uiso 1.0 4 calc R . .
H41 H 0.4187 0.0761 1.2786 0.0707 Uiso 1.0 4 calc R . .
H42 H 0.4237 0.0243 1.2105 0.0707 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    SIR97
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
I1 C15 2.102(8) yes . .
I2 C25 2.079(9) yes . .
I3 C35 2.072(9) yes . .
Ag1 N11 2.117(7) yes . .
Ag1 N32 2.111(7) yes . .
Ag2 N12 2.091(7) yes . .
Ag2 N21 2.079(8) yes . .
Ag3 N22 2.064(8) yes . .
Ag3 N31 2.072(7) yes . .
N11 N12 1.372(11) yes . .
N11 C14 1.344(11) yes . .
N12 C16 1.343(11) yes . .
N21 N22 1.374(11) yes . .
N21 C24 1.332(12) yes . .
N22 C26 1.325(12) yes . .
N31 N32 1.380(10) yes . .
N31 C34 1.352(11) yes . .
N32 C36 1.351(11) yes . .
C11 C13 1.532(16) yes . .
C12 C13 1.451(17) yes . .
C13 C14 1.502(14) yes . .
C14 C15 1.381(13) yes . .
C15 C16 1.356(13) yes . .
C16 C17 1.493(14) yes . .
C17 C18 1.458(16) yes . .
C17 C19 1.48(2) yes . .
C21 C23 1.469(17) yes . .
C22 C23 1.56(3) yes . .
C23 C24 1.505(16) yes . .
C24 C25 1.380(14) yes . .
C25 C26 1.412(13) yes . .
C26 C27 1.493(13) yes . .
C27 C28 1.527(17) yes . .
C27 C29 1.515(14) yes . .
C31 C33 1.550(14) yes . .
C32 C33 1.539(16) yes . .
C33 C34 1.488(13) yes . .
C34 C35 1.383(12) yes . .
C35 C36 1.406(12) yes . .
C36 C37 1.481(12) yes . .
C37 C38 1.501(15) yes . .
C37 C39 1.529(13) yes . .
C11 H1 0.960 no . .
C11 H2 0.960 no . .
C11 H3 0.960 no . .
C12 H4 0.960 no . .
C12 H5 0.960 no . .
C12 H6 0.960 no . .
C13 H7 0.980 no . .
C17 H8 0.980 no . .
C18 H9 0.960 no . .
C18 H10 0.960 no . .
C18 H11 0.960 no . .
C19 H12 0.960 no . .
C19 H13 0.960 no . .
C19 H14 0.960 no . .
C21 H15 0.960 no . .
C21 H16 0.960 no . .
C21 H17 0.960 no . .
C22 H18 0.960 no . .
C22 H19 0.960 no . .
C22 H20 0.960 no . .
C23 H21 0.980 no . .
C27 H22 0.980 no . .
C28 H23 0.960 no . .
C28 H24 0.960 no . .
C28 H25 0.960 no . .
C29 H26 0.960 no . .
C29 H27 0.960 no . .
C29 H28 0.960 no . .
C31 H29 0.960 no . .
C31 H30 0.960 no . .
C31 H31 0.960 no . .
C32 H32 0.960 no . .
C32 H33 0.960 no . .
C32 H34 0.960 no . .
C33 H35 0.980 no . .
C37 H36 0.980 no . .
C38 H37 0.960 no . .
C38 H38 0.960 no . .
C38 H39 0.960 no . .
C39 H40 0.960 no . .
C39 H41 0.960 no . .
C39 H42 0.960 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N11 Ag1 N32 174.7(3) yes . . .
N12 Ag2 N21 179.2(3) yes . . .
N22 Ag3 N31 173.4(3) yes . . .
Ag1 N11 N12 118.0(5) yes . . .
Ag1 N11 C14 132.9(7) yes . . .
N12 N11 C14 108.5(7) yes . . .
Ag2 N12 N11 118.5(5) yes . . .
Ag2 N12 C16 130.6(6) yes . . .
N11 N12 C16 108.6(7) yes . . .
Ag2 N21 N22 117.8(6) yes . . .
Ag2 N21 C24 132.0(7) yes . . .
N22 N21 C24 108.8(8) yes . . .
Ag3 N22 N21 119.3(6) yes . . .
Ag3 N22 C26 131.2(6) yes . . .
N21 N22 C26 109.2(7) yes . . .
Ag3 N31 N32 118.3(5) yes . . .
Ag3 N31 C34 128.5(6) yes . . .
N32 N31 C34 109.4(7) yes . . .
Ag1 N32 N31 115.4(5) yes . . .
Ag1 N32 C36 135.2(6) yes . . .
N31 N32 C36 108.4(7) yes . . .
C11 C13 C12 113.5(11) yes . . .
C11 C13 C14 112.6(9) yes . . .
C12 C13 C14 114.4(10) yes . . .
N11 C14 C13 122.3(9) yes . . .
N11 C14 C15 106.6(8) yes . . .
C13 C14 C15 131.1(9) yes . . .
I1 C15 C14 122.0(7) yes . . .
I1 C15 C16 129.0(7) yes . . .
C14 C15 C16 108.9(8) yes . . .
N12 C16 C15 107.3(8) yes . . .
N12 C16 C17 119.1(8) yes . . .
C15 C16 C17 133.5(8) yes . . .
C16 C17 C18 112.7(10) yes . . .
C16 C17 C19 114.8(10) yes . . .
C18 C17 C19 117.3(12) yes . . .
C21 C23 C22 113.0(12) yes . . .
C21 C23 C24 111.5(10) yes . . .
C22 C23 C24 112.3(11) yes . . .
N21 C24 C23 122.7(9) yes . . .
N21 C24 C25 108.2(9) yes . . .
C23 C24 C25 129.1(9) yes . . .
I2 C25 C24 127.6(7) yes . . .
I2 C25 C26 125.8(7) yes . . .
C24 C25 C26 106.5(8) yes . . .
N22 C26 C25 107.3(8) yes . . .
N22 C26 C27 124.1(8) yes . . .
C25 C26 C27 128.5(9) yes . . .
C26 C27 C28 112.1(9) yes . . .
C26 C27 C29 112.8(9) yes . . .
C28 C27 C29 109.4(10) yes . . .
C31 C33 C32 112.9(10) yes . . .
C31 C33 C34 111.1(9) yes . . .
C32 C33 C34 111.8(9) yes . . .
N31 C34 C33 119.1(8) yes . . .
N31 C34 C35 107.2(8) yes . . .
C33 C34 C35 133.7(8) yes . . .
I3 C35 C34 128.1(7) yes . . .
I3 C35 C36 123.9(6) yes . . .
C34 C35 C36 107.9(8) yes . . .
N32 C36 C35 107.1(7) yes . . .
N32 C36 C37 123.5(8) yes . . .
C35 C36 C37 129.4(8) yes . . .
C36 C37 C38 110.7(8) yes . . .
C36 C37 C39 111.3(8) yes . . .
C38 C37 C39 112.2(9) yes . . .
C13 C11 H1 109.999 no . . .
C13 C11 H2 109.793 no . . .
C13 C11 H3 108.711 no . . .
H1 C11 H2 109.441 no . . .
H1 C11 H3 109.436 no . . .
H2 C11 H3 109.444 no . . .
C13 C12 H4 108.106 no . . .
C13 C12 H5 110.901 no . . .
C13 C12 H6 109.473 no . . .
H4 C12 H5 109.445 no . . .
H4 C12 H6 109.439 no . . .
H5 C12 H6 109.451 no . . .
C11 C13 H7 104.565 no . . .
C12 C13 H7 105.503 no . . .
C14 C13 H7 105.211 no . . .
C16 C17 H8 103.145 no . . .
C18 C17 H8 102.847 no . . .
C19 C17 H8 103.681 no . . .
C17 C18 H9 110.544 no . . .
C17 C18 H10 109.714 no . . .
C17 C18 H11 108.235 no . . .
H9 C18 H10 109.438 no . . .
H9 C18 H11 109.448 no . . .
H10 C18 H11 109.441 no . . .
C17 C19 H12 108.890 no . . .
C17 C19 H13 110.638 no . . .
C17 C19 H14 108.965 no . . .
H12 C19 H13 109.442 no . . .
H12 C19 H14 109.442 no . . .
H13 C19 H14 109.444 no . . .
C23 C21 H15 110.631 no . . .
C23 C21 H16 109.237 no . . .
C23 C21 H17 108.631 no . . .
H15 C21 H16 109.437 no . . .
H15 C21 H17 109.437 no . . .
H16 C21 H17 109.448 no . . .
C23 C22 H18 110.815 no . . .
C23 C22 H19 108.793 no . . .
C23 C22 H20 108.884 no . . .
H18 C22 H19 109.450 no . . .
H18 C22 H20 109.439 no . . .
H19 C22 H20 109.440 no . . .
C21 C23 H21 106.454 no . . .
C22 C23 H21 106.697 no . . .
C24 C23 H21 106.352 no . . .
C26 C27 H22 107.632 no . . .
C28 C27 H22 107.093 no . . .
C29 C27 H22 107.544 no . . .
C27 C28 H23 108.778 no . . .
C27 C28 H24 109.684 no . . .
C27 C28 H25 110.047 no . . .
H23 C28 H24 109.439 no . . .
H23 C28 H25 109.442 no . . .
H24 C28 H25 109.435 no . . .
C27 C29 H26 109.089 no . . .
C27 C29 H27 110.212 no . . .
C27 C29 H28 109.197 no . . .
H26 C29 H27 109.436 no . . .
H26 C29 H28 109.442 no . . .
H27 C29 H28 109.450 no . . .
C33 C31 H29 110.179 no . . .
C33 C31 H30 109.111 no . . .
C33 C31 H31 109.211 no . . .
H29 C31 H30 109.446 no . . .
H29 C31 H31 109.442 no . . .
H30 C31 H31 109.437 no . . .
C33 C32 H32 109.723 no . . .
C33 C32 H33 109.993 no . . .
C33 C32 H34 108.786 no . . .
H32 C32 H33 109.437 no . . .
H32 C32 H34 109.439 no . . .
H33 C32 H34 109.447 no . . .
C31 C33 H35 106.701 no . . .
C32 C33 H35 107.281 no . . .
C34 C33 H35 106.653 no . . .
C36 C37 H36 107.534 no . . .
C38 C37 H36 107.435 no . . .
C39 C37 H36 107.388 no . . .
C37 C38 H37 108.848 no . . .
C37 C38 H38 110.296 no . . .
C37 C38 H39 109.348 no . . .
H37 C38 H38 109.437 no . . .
H37 C38 H39 109.440 no . . .
H38 C38 H39 109.456 no . . .
C37 C39 H40 108.699 no . . .
C37 C39 H41 109.634 no . . .
C37 C39 H42 110.164 no . . .
H40 C39 H41 109.447 no . . .
H40 C39 H42 109.441 no . . .
H41 C39 H42 109.439 no . . .

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
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ag1 N11 N12 Ag2 23.0(8) no . . . .
Ag1 N11 N12 C16 -172.3(4) no . . . .
Ag1 N11 C14 C13 -8.7(13) no . . . .
Ag1 N11 C14 C15 170.9(5) no . . . .
N12 N11 C14 C13 -179.4(7) no . . . .
N12 N11 C14 C15 0.2(9) no . . . .
C14 N11 N12 Ag2 -164.7(6) no . . . .
C14 N11 N12 C16 0.1(9) no . . . .
Ag2 N12 C16 C15 162.0(5) no . . . .
Ag2 N12 C16 C17 -20.9(11) no . . . .
N11 N12 C16 C15 -0.3(9) no . . . .
N11 N12 C16 C17 176.8(6) no . . . .
Ag2 N21 N22 Ag3 17.0(8) no . . . .
Ag2 N21 N22 C26 -169.4(5) no . . . .
Ag2 N21 C24 C23 -14.4(14) no . . . .
Ag2 N21 C24 C25 167.3(6) no . . . .
N22 N21 C24 C23 179.5(7) no . . . .
N22 N21 C24 C25 1.2(10) no . . . .
C24 N21 N22 Ag3 -174.7(6) no . . . .
C24 N21 N22 C26 -1.0(9) no . . . .
Ag3 N22 C26 C25 173.0(5) no . . . .
Ag3 N22 C26 C27 -7.4(13) no . . . .
N21 N22 C26 C25 0.4(9) no . . . .
N21 N22 C26 C27 180(466183) no . . . .
Ag3 N31 N32 Ag1 29.7(7) no . . . .
Ag3 N31 N32 C36 -159.8(4) no . . . .
Ag3 N31 C34 C33 -24.0(11) no . . . .
Ag3 N31 C34 C35 156.6(5) no . . . .
N32 N31 C34 C33 178.7(6) no . . . .
N32 N31 C34 C35 -0.8(9) no . . . .
C34 N31 N32 Ag1 -170.3(6) no . . . .
C34 N31 N32 C36 0.2(8) no . . . .
Ag1 N32 C36 C35 168.3(5) no . . . .
Ag1 N32 C36 C37 -10.5(12) no . . . .
N31 N32 C36 C35 0.4(8) no . . . .
N31 N32 C36 C37 -178.3(6) no . . . .
C11 C13 C14 N11 -58.7(13) no . . . .
C11 C13 C14 C15 121.8(11) no . . . .
C12 C13 C14 N11 72.7(13) no . . . .
C12 C13 C14 C15 -106.8(12) no . . . .
N11 C14 C15 I1 179.8(6) no . . . .
N11 C14 C15 C16 -0.3(10) no . . . .
C13 C14 C15 I1 -0.7(14) no . . . .
C13 C14 C15 C16 179.2(9) no . . . .
I1 C15 C16 N12 -179.7(6) no . . . .
I1 C15 C16 C17 3.8(14) no . . . .
C14 C15 C16 N12 0.4(10) no . . . .
C14 C15 C16 C17 -176.1(8) no . . . .
N12 C16 C17 C18 -99.2(9) no . . . .
N12 C16 C17 C19 123.0(9) no . . . .
C15 C16 C17 C18 76.9(13) no . . . .
C15 C16 C17 C19 -60.8(14) no . . . .
C21 C23 C24 N21 72.2(13) no . . . .
C21 C23 C24 C25 -109.9(12) no . . . .
C22 C23 C24 N21 -55.8(14) no . . . .
C22 C23 C24 C25 122.1(12) no . . . .
N21 C24 C25 I2 -179.2(7) no . . . .
N21 C24 C25 C26 -0.9(10) no . . . .
C23 C24 C25 I2 2.7(16) no . . . .
C23 C24 C25 C26 -179.1(10) no . . . .
I2 C25 C26 N22 178.6(5) no . . . .
I2 C25 C26 C27 -1.0(13) no . . . .
C24 C25 C26 N22 0.3(10) no . . . .
C24 C25 C26 C27 -179.2(8) no . . . .
N22 C26 C27 C28 -54.9(11) no . . . .
N22 C26 C27 C29 69.1(11) no . . . .
C25 C26 C27 C28 124.6(9) no . . . .
C25 C26 C27 C29 -111.4(10) no . . . .
C31 C33 C34 N31 -117.1(9) no . . . .
C31 C33 C34 C35 62.2(13) no . . . .
C32 C33 C34 N31 115.8(9) no . . . .
C32 C33 C34 C35 -64.9(13) no . . . .
N31 C34 C35 I3 -175.3(6) no . . . .
N31 C34 C35 C36 1.0(9) no . . . .
C33 C34 C35 I3 5.4(15) no . . . .
C33 C34 C35 C36 -178.3(9) no . . . .
I3 C35 C36 N32 175.6(5) no . . . .
I3 C35 C36 C37 -5.8(12) no . . . .
C34 C35 C36 N32 -0.9(9) no . . . .
C34 C35 C36 C37 177.7(7) no . . . .
N32 C36 C37 C38 75.7(10) no . . . .
N32 C36 C37 C39 -49.9(11) no . . . .
C35 C36 C37 C38 -102.7(10) no . . . .
C35 C36 C37 C39 131.7(9) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
I1 C13 3.544(11) no . .
I2 C27 3.596(11) no . .
I3 C37 3.551(9) no . .
Ag1 Ag2 3.4461(18) no . .
Ag1 Ag3 3.4064(15) no . .
Ag1 C39 3.561(12) no . .
Ag2 Ag3 3.3975(12) no . .
Ag2 C17 3.481(11) no . .
Ag2 C23 3.566(11) no . .
Ag3 C27 3.541(10) no . .
Ag3 C28 3.507(12) no . .
Ag3 C33 3.434(10) no . .
N11 C11 3.083(15) no . .
N11 C12 3.176(15) no . .
N12 C18 3.322(15) no . .
N12 C19 3.543(18) no . .
N21 C21 3.135(16) no . .
N21 C22 3.08(2) no . .
N22 C28 3.054(14) no . .
N22 C29 3.167(14) no . .
N31 C31 3.515(13) no . .
N31 C32 3.504(14) no . .
N32 C38 3.171(14) no . .
N32 C39 2.994(14) no . .
C12 C15 3.560(16) no . .
C15 C18 3.334(17) no . .
C15 C19 3.281(19) no . .
C21 C25 3.536(16) no . .
C31 C35 3.281(14) no . .
C32 C35 3.304(15) no . .
C35 C38 3.501(14) no . .
I1 Ag1 3.3677(12) no . 3_555
I1 N31 3.408(7) no . 3_555
I1 N32 3.568(7) no . 3_555
I2 Ag1 3.5022(11) no . 4_654
Ag1 I1 3.3677(12) no . 3_455
Ag1 I2 3.5022(11) no . 4_655
N31 I1 3.408(7) no . 3_455
N32 I1 3.568(7) no . 3_455
C25 C31 3.594(14) no . 4_554
C31 C25 3.594(14) no . 4_555
I1 H7 2.9553 no . .
I1 H11 3.4994 no . .
I1 H12 3.1074 no . .
I2 H21 3.0678 no . .
I2 H22 3.0329 no . .
I3 H31 3.1798 no . .
I3 H32 3.1260 no . .
I3 H36 2.9985 no . .
Ag1 H3 2.9214 no . .
Ag1 H6 3.0295 no . .
Ag1 H37 3.1413 no . .
Ag1 H40 2.7663 no . .
Ag2 H8 2.7871 no . .
Ag2 H17 2.8734 no . .
Ag2 H20 2.8907 no . .
Ag3 H23 2.7380 no . .
Ag3 H28 2.9148 no . .
Ag3 H35 2.8141 no . .
N11 H2 3.1985 no . .
N11 H3 2.9213 no . .
N11 H4 3.4624 no . .
N11 H6 2.9373 no . .
N11 H7 3.2320 no . .
N12 H8 2.3881 no . .
N12 H9 3.1680 no . .
N12 H14 3.4934 no . .
N21 H15 3.4159 no . .
N21 H17 2.8877 no . .
N21 H19 3.2196 no . .
N21 H20 2.8751 no . .
N21 H21 3.2378 no . .
N22 H22 3.2435 no . .
N22 H23 2.8045 no . .
N22 H25 3.2709 no . .
N22 H26 3.4329 no . .
N22 H28 2.9343 no . .
N31 H29 3.4460 no . .
N31 H34 3.4075 no . .
N31 H35 2.4384 no . .
N32 H36 3.2486 no . .
N32 H37 2.8443 no . .
N32 H40 2.7353 no . .
N32 H42 3.1836 no . .
C11 H4 3.2998 no . .
C11 H5 2.6264 no . .
C11 H6 2.7703 no . .
C11 H37 3.5510 no . .
C12 H1 2.6992 no . .
C12 H2 3.3044 no . .
C12 H3 2.6958 no . .
C14 H1 3.3365 no . .
C14 H2 2.6479 no . .
C14 H3 2.7864 no . .
C14 H4 2.6591 no . .
C14 H5 3.3093 no . .
C14 H6 2.6702 no . .
C15 H2 3.5881 no . .
C15 H4 3.4288 no . .
C15 H7 2.6729 no . .
C15 H8 3.2803 no . .
C15 H9 3.5737 no . .
C15 H11 3.1322 no . .
C15 H12 3.0770 no . .
C15 H14 3.4678 no . .
C16 H9 2.6504 no . .
C16 H10 3.2815 no . .
C16 H11 2.6449 no . .
C16 H12 2.7008 no . .
C16 H13 3.3242 no . .
C16 H14 2.6870 no . .
C18 H12 2.8179 no . .
C18 H13 2.6510 no . .
C18 H14 3.2914 no . .
C19 H9 3.3074 no . .
C19 H10 2.6269 no . .
C19 H11 2.8055 no . .
C21 H8 3.5385 no . .
C21 H18 2.7414 no . .
C21 H19 3.3293 no . .
C21 H20 2.7307 no . .
C22 H15 3.3584 no . .
C22 H16 2.6569 no . .
C22 H17 2.7434 no . .
C24 H15 2.6511 no . .
C24 H16 3.2838 no . .
C24 H17 2.6436 no . .
C24 H18 3.3681 no . .
C24 H19 2.6857 no . .
C24 H20 2.7739 no . .
C25 H15 3.4283 no . .
C25 H21 2.6556 no . .
C25 H22 2.6773 no . .
C25 H26 3.5019 no . .
C26 H23 2.6932 no . .
C26 H24 3.3244 no . .
C26 H25 2.7031 no . .
C26 H26 2.6917 no . .
C26 H27 3.3262 no . .
C26 H28 2.6964 no . .
C28 H26 3.3100 no . .
C28 H27 2.6316 no . .
C28 H28 2.6974 no . .
C28 H34 3.3964 no . .
C29 H23 2.6938 no . .
C29 H24 2.6241 no . .
C29 H25 3.3144 no . .
C29 H35 3.4556 no . .
C31 H32 2.8079 no . .
C31 H33 2.7309 no . .
C31 H34 3.3848 no . .
C32 H23 3.5624 no . .
C32 H29 3.3927 no . .
C32 H30 2.7152 no . .
C32 H31 2.8039 no . .
C33 H28 3.5047 no . .
C34 H29 2.7070 no . .
C34 H30 3.3220 no . .
C34 H31 2.6989 no . .
C34 H32 2.7046 no . .
C34 H33 3.3268 no . .
C34 H34 2.6866 no . .
C35 H29 3.4877 no . .
C35 H31 3.0605 no . .
C35 H32 3.0937 no . .
C35 H34 3.5050 no . .
C35 H35 3.3441 no . .
C35 H36 2.6848 no . .
C35 H38 3.4535 no . .
C36 H37 2.5468 no . .
C36 H38 2.7476 no . .
C36 H39 3.2663 no . .
C36 H40 2.6754 no . .
C36 H41 3.3057 no . .
C36 H42 2.6797 no . .
C38 H40 2.7239 no . .
C38 H41 2.6828 no . .
C38 H42 3.3373 no . .
C39 H6 3.5399 no . .
C39 H37 2.8277 no . .
C39 H38 3.3260 no . .
C39 H39 2.5806 no . .
H1 H4 3.5179 no . .
H1 H5 2.4780 no . .
H1 H6 3.0991 no . .
H1 H7 2.2769 no . .
H2 H5 3.5085 no . .
H2 H7 2.3266 no . .
H3 H4 3.5870 no . .
H3 H5 2.8783 no . .
H3 H6 2.6297 no . .
H3 H7 2.7926 no . .
H3 H37 2.7365 no . .
H4 H7 2.1867 no . .
H5 H7 2.2815 no . .
H6 H7 2.7467 no . .
H6 H37 3.1400 no . .
H6 H39 3.4554 no . .
H6 H40 2.7846 no . .
H6 H41 3.5449 no . .
H8 H9 2.1730 no . .
H8 H10 2.2575 no . .
H8 H11 2.7160 no . .
H8 H12 2.7451 no . .
H8 H13 2.2919 no . .
H8 H14 2.1880 no . .
H8 H16 3.5973 no . .
H8 H17 2.7313 no . .
H8 H20 3.0527 no . .
H9 H13 3.4836 no . .
H10 H12 3.0205 no . .
H10 H13 2.4091 no . .
H10 H14 3.4522 no . .
H11 H12 2.7843 no . .
H11 H13 3.0340 no . .
H14 H20 3.3278 no . .
H15 H18 3.5975 no . .
H15 H21 2.2613 no . .
H16 H18 2.5202 no . .
H16 H19 3.5252 no . .
H16 H20 2.9351 no . .
H16 H21 2.2810 no . .
H17 H18 3.0651 no . .
H17 H19 3.5888 no . .
H17 H20 2.6008 no . .
H17 H21 2.7629 no . .
H18 H21 2.3563 no . .
H19 H21 2.3573 no . .
H20 H21 2.8369 no . .
H22 H23 2.8140 no . .
H22 H24 2.3397 no . .
H22 H25 2.3249 no . .
H22 H26 2.3096 no . .
H22 H27 2.3371 no . .
H22 H28 2.8123 no . .
H23 H26 3.5746 no . .
H23 H27 2.9384 no . .
H23 H28 2.5560 no . .
H23 H34 2.7676 no . .
H23 H35 3.3259 no . .
H24 H26 3.4907 no . .
H24 H27 2.4107 no . .
H24 H28 2.9331 no . .
H24 H34 3.1477 no . .
H25 H27 3.4996 no . .
H25 H28 3.5821 no . .
H27 H35 3.5780 no . .
H28 H35 2.5866 no . .
H29 H33 3.5873 no . .
H29 H35 2.3302 no . .
H30 H32 3.0371 no . .
H30 H33 2.5224 no . .
H30 H34 3.5698 no . .
H30 H35 2.3591 no . .
H31 H32 2.7003 no . .
H31 H33 3.0515 no . .
H31 H35 2.8311 no . .
H32 H35 2.8318 no . .
H33 H35 2.3609 no . .
H34 H35 2.3135 no . .
H36 H37 2.7868 no . .
H36 H38 2.2376 no . .
H36 H39 2.3980 no . .
H36 H40 2.8177 no . .
H36 H41 2.3444 no . .
H36 H42 2.3335 no . .
H37 H40 2.7039 no . .
H37 H41 3.1291 no . .
H38 H41 3.4823 no . .
H39 H40 2.8244 no . .
H39 H41 2.3961 no . .
H39 H42 3.4721 no . .
I1 H3 3.3711 no . 3_555
I2 H29 3.5977 no . 4_554
I3 H12 3.3800 no . 2_545
I3 H28 3.3751 no . 4_555
I3 H35 3.5971 no . 4_555
Ag2 H11 3.5817 no . 3_455
N11 H11 2.8955 no . 3_455
N12 H11 2.9421 no . 3_455
N21 H31 3.4794 no . 4_554
N21 H42 3.0154 no . 4_654
N22 H31 3.3886 no . 4_554
N22 H42 3.0702 no . 4_654
N31 H15 2.9331 no . 4_655
N32 H15 2.8502 no . 4_655
C11 H4 2.8938 no . 3_455
C11 H22 3.1151 no . 2_555
C11 H24 3.5279 no . 2_555
C12 H1 3.3303 no . 3_555
C12 H27 3.4424 no . 2_555
C13 H22 3.5768 no . 2_555
C13 H27 3.3113 no . 2_555
C14 H2 3.4031 no . 3_555
C14 H11 3.1612 no . 3_455
C15 H2 3.1462 no . 3_555
C15 H3 3.4884 no . 3_555
C15 H9 3.5616 no . 3_455
C15 H11 3.3435 no . 3_455
C16 H2 3.3947 no . 3_555
C16 H10 3.5700 no . 3_455
C16 H11 3.2317 no . 3_455
C18 H2 3.4691 no . 3_555
C18 H14 3.4097 no . 3_555
C19 H10 3.5135 no . 3_455
C19 H32 3.2104 no . 2_554
C21 H34 3.3619 no . 4_654
C21 H42 3.5012 no . 4_654
C22 H30 3.5732 no . 4_554
C22 H39 3.5369 no . 1_554
C22 H41 3.5013 no . 1_554
C23 H41 3.4525 no . 1_554
C24 H31 3.4757 no . 4_554
C24 H42 3.0458 no . 4_654
C25 H29 3.2399 no . 4_554
C25 H31 3.3527 no . 4_554
C25 H40 3.3521 no . 4_654
C25 H42 3.1425 no . 4_654
C26 H29 3.4515 no . 4_554
C26 H31 3.3061 no . 4_554
C26 H40 3.4032 no . 4_654
C26 H42 3.1549 no . 4_654
C27 H1 3.2164 no . 2_544
C27 H7 3.5202 no . 2_544
C28 H1 3.1464 no . 2_544
C28 H40 3.5366 no . 4_654
C28 H41 3.3282 no . 4_654
C29 H7 3.1462 no . 2_544
C29 H29 3.4822 no . 4_554
C29 H31 3.5720 no . 4_554
C29 H38 3.2035 no . 4_554
C31 H19 3.4117 no . 4_555
C31 H26 3.1694 no . 4_555
C31 H36 3.4442 no . 4_554
C31 H38 3.5559 no . 4_554
C32 H16 3.4803 no . 4_655
C34 H15 3.0737 no . 4_655
C34 H26 3.3762 no . 4_555
C35 H15 3.0513 no . 4_655
C35 H26 3.1993 no . 4_555
C35 H28 3.5078 no . 4_555
C36 H15 2.9315 no . 4_655
C37 H30 3.4837 no . 4_555
C38 H27 3.5118 no . 4_555
C38 H30 3.2047 no . 4_555
C39 H21 3.4882 no . 1_556
C39 H25 2.9631 no . 4_655
H1 C12 3.3303 no . 3_455
H1 C27 3.2164 no . 2_555
H1 C28 3.1464 no . 2_555
H1 H4 2.4753 no . 3_455
H1 H6 3.4134 no . 3_455
H1 H22 2.5535 no . 2_555
H1 H24 2.6209 no . 2_555
H1 H25 3.2293 no . 2_555
H1 H27 3.2961 no . 2_555
H2 C14 3.4031 no . 3_455
H2 C15 3.1462 no . 3_455
H2 C16 3.3947 no . 3_455
H2 C18 3.4691 no . 3_455
H2 H4 3.0524 no . 3_455
H2 H9 3.1094 no . 3_455
H2 H11 3.0334 no . 3_455
H2 H22 3.0065 no . 2_555
H3 I1 3.3711 no . 3_455
H3 C15 3.4884 no . 3_455
H3 H4 2.6916 no . 3_455
H4 C11 2.8938 no . 3_555
H4 H1 2.4753 no . 3_555
H4 H2 3.0524 no . 3_555
H4 H3 2.6916 no . 3_555
H4 H25 3.5548 no . 4_655
H4 H27 3.4681 no . 2_555
H4 H37 3.5194 no . 3_555
H5 H24 3.1680 no . 2_555
H5 H27 3.0291 no . 2_555
H6 H1 3.4134 no . 3_555
H6 H25 3.1642 no . 4_655
H7 C27 3.5202 no . 2_555
H7 C29 3.1462 no . 2_555
H7 H22 2.9721 no . 2_555
H7 H26 3.1428 no . 2_555
H7 H27 2.5277 no . 2_555
H9 C15 3.5616 no . 3_555
H9 H2 3.1094 no . 3_555
H9 H14 3.5458 no . 3_555
H10 C16 3.5700 no . 3_555
H10 C19 3.5135 no . 3_555
H10 H14 2.6574 no . 3_555
H11 Ag2 3.5817 no . 3_555
H11 N11 2.8955 no . 3_555
H11 N12 2.9421 no . 3_555
H11 C14 3.1612 no . 3_555
H11 C15 3.3435 no . 3_555
H11 C16 3.2317 no . 3_555
H11 H2 3.0334 no . 3_555
H11 H14 3.5784 no . 3_555
H12 I3 3.3800 no . 2_554
H12 H32 3.0845 no . 2_554
H13 H32 3.1759 no . 2_554
H13 H33 3.5333 no . 2_554
H14 C18 3.4097 no . 3_455
H14 H9 3.5458 no . 3_455
H14 H10 2.6574 no . 3_455
H14 H11 3.5784 no . 3_455
H14 H32 2.8367 no . 2_554
H15 N31 2.9331 no . 4_654
H15 N32 2.8502 no . 4_654
H15 C34 3.0737 no . 4_654
H15 C35 3.0513 no . 4_654
H15 C36 2.9315 no . 4_654
H15 H34 3.2869 no . 4_654
H15 H42 2.9677 no . 4_654
H16 C32 3.4803 no . 4_654
H16 H23 2.9776 no . 4_654
H16 H32 3.5822 no . 4_654
H16 H34 2.6507 no . 4_654
H17 H42 3.3520 no . 4_654
H18 H39 3.3619 no . 1_554
H18 H41 3.2375 no . 1_554
H19 C31 3.4117 no . 4_554
H19 H30 2.6716 no . 4_554
H19 H31 3.3235 no . 4_554
H19 H39 2.8763 no . 1_554
H19 H41 3.3117 no . 1_554
H21 C39 3.4882 no . 1_554
H21 H23 3.4545 no . 4_654
H21 H41 2.6269 no . 1_554
H22 C11 3.1151 no . 2_544
H22 C13 3.5768 no . 2_544
H22 H1 2.5535 no . 2_544
H22 H2 3.0065 no . 2_544
H22 H7 2.9721 no . 2_544
H23 H16 2.9776 no . 4_655
H23 H21 3.4545 no . 4_655
H23 H41 3.3810 no . 4_654
H24 C11 3.5279 no . 2_544
H24 H1 2.6209 no . 2_544
H24 H5 3.1680 no . 2_544
H25 C39 2.9631 no . 4_654
H25 H1 3.2293 no . 2_544
H25 H4 3.5548 no . 4_654
H25 H6 3.1642 no . 4_654
H25 H40 2.6996 no . 4_654
H25 H41 2.5191 no . 4_654
H25 H42 3.2257 no . 4_654
H26 C31 3.1694 no . 4_554
H26 C34 3.3762 no . 4_554
H26 C35 3.1993 no . 4_554
H26 H7 3.1428 no . 2_544
H26 H29 2.6247 no . 4_554
H26 H31 2.9246 no . 4_554
H26 H38 3.4096 no . 4_554
H27 C12 3.4424 no . 2_544
H27 C13 3.3113 no . 2_544
H27 C38 3.5118 no . 4_554
H27 H1 3.2961 no . 2_544
H27 H4 3.4681 no . 2_544
H27 H5 3.0291 no . 2_544
H27 H7 2.5277 no . 2_544
H27 H37 3.4428 no . 4_554
H27 H38 2.7526 no . 4_554
H28 I3 3.3751 no . 4_554
H28 C35 3.5078 no . 4_554
H28 H31 3.5147 no . 4_554
H28 H38 2.9575 no . 4_554
H29 I2 3.5977 no . 4_555
H29 C25 3.2399 no . 4_555
H29 C26 3.4515 no . 4_555
H29 C29 3.4822 no . 4_555
H29 H26 2.6247 no . 4_555
H29 H36 3.2358 no . 4_554
H30 C22 3.5732 no . 4_555
H30 C37 3.4837 no . 4_554
H30 C38 3.2047 no . 4_554
H30 H19 2.6716 no . 4_555
H30 H36 2.8316 no . 4_554
H30 H38 2.8233 no . 4_554
H30 H39 2.9765 no . 4_554
H31 N21 3.4794 no . 4_555
H31 N22 3.3886 no . 4_555
H31 C24 3.4757 no . 4_555
H31 C25 3.3527 no . 4_555
H31 C26 3.3061 no . 4_555
H31 C29 3.5720 no . 4_555
H31 H19 3.3235 no . 4_555
H31 H26 2.9246 no . 4_555
H31 H28 3.5147 no . 4_555
H32 C19 3.2104 no . 2_545
H32 H12 3.0845 no . 2_545
H32 H13 3.1759 no . 2_545
H32 H14 2.8367 no . 2_545
H32 H16 3.5822 no . 4_655
H33 H13 3.5333 no . 2_545
H33 H38 3.0364 no . 4_554
H34 C21 3.3619 no . 4_655
H34 H15 3.2869 no . 4_655
H34 H16 2.6507 no . 4_655
H35 I3 3.5971 no . 4_554
H35 H38 3.1541 no . 4_554
H36 C31 3.4442 no . 4_555
H36 H29 3.2358 no . 4_555
H36 H30 2.8316 no . 4_555
H37 H4 3.5194 no . 3_455
H37 H27 3.4428 no . 4_555
H38 C29 3.2035 no . 4_555
H38 C31 3.5559 no . 4_555
H38 H26 3.4096 no . 4_555
H38 H27 2.7526 no . 4_555
H38 H28 2.9575 no . 4_555
H38 H30 2.8233 no . 4_555
H38 H33 3.0364 no . 4_555
H38 H35 3.1541 no . 4_555
H39 C22 3.5369 no . 1_556
H39 H18 3.3619 no . 1_556
H39 H19 2.8763 no . 1_556
H39 H30 2.9765 no . 4_555
H40 C25 3.3521 no . 4_655
H40 C26 3.4032 no . 4_655
H40 C28 3.5366 no . 4_655
H40 H25 2.6996 no . 4_655
H41 C22 3.5013 no . 1_556
H41 C23 3.4525 no . 1_556
H41 C28 3.3282 no . 4_655
H41 H18 3.2375 no . 1_556
H41 H19 3.3117 no . 1_556
H41 H21 2.6269 no . 1_556
H41 H23 3.3810 no . 4_655
H41 H25 2.5191 no . 4_655
H42 N21 3.0154 no . 4_655
H42 N22 3.0702 no . 4_655
H42 C21 3.5012 no . 4_655
H42 C24 3.0458 no . 4_655
H42 C25 3.1425 no . 4_655
H42 C26 3.1549 no . 4_655
H42 H15 2.9677 no . 4_655
H42 H17 3.3520 no . 4_655
H42 H25 3.2257 no . 4_655
_database_code_depnum_ccdc_archive 'CCDC 993079'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data__[Ag(L1I)]2

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C60 H98 Ag6 I6 N12'
_chemical_formula_moiety         'C60 H98 Ag6 I6 N12'
_chemical_formula_weight         2396.15
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   14.8230(19)
_cell_length_b                   12.7462(11)
_cell_length_c                   20.735(3)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.874(2)
_cell_angle_gamma                90.0000
_cell_volume                     3917.1(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    843
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    190
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2284.00
_exptl_absorpt_coefficient_mu    3.873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.474
_exptl_absorpt_correction_T_max  0.679

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      190
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            28371
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.974
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using reflections with F² > 3.0 sigma(F²).
    The weighted     R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 3.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             8762
_reflns_number_gt                6953
_reflns_threshold_expression     F²>3.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1282
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6953
_refine_ls_number_parameters     428
_refine_ls_goodness_of_fit_ref   2.546
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     'w = 1/σ²(Fo²)'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         2.510
_refine_diff_density_min         -1.730
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
I I -0.4742 1.8119
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 1.31977(5) 0.75940(5) 0.53685(3) 0.0713(2) Uani 1.0 4 d . . .
I2 I 0.99006(4) 0.00511(4) 0.76194(2) 0.05471(16) Uani 1.0 4 d . . .
I3 I 0.55227(5) 0.76026(6) 0.67784(3) 0.0826(3) Uani 1.0 4 d . . .
Ag1 Ag 0.92486(4) 0.61837(4) 0.56710(2) 0.03908(14) Uani 1.0 4 d . . .
Ag2 Ag 1.05148(4) 0.39699(4) 0.58599(2) 0.03731(14) Uani 1.0 4 d . . .
Ag3 Ag 0.83209(4) 0.40420(4) 0.63798(2) 0.03827(14) Uani 1.0 4 d . . .
N11 N 1.0610(5) 0.6200(5) 0.5395(3) 0.0439(17) Uani 1.0 4 d . . .
N12 N 1.1118(5) 0.5320(5) 0.5459(3) 0.0434(16) Uani 1.0 4 d . . .
N21 N 0.9974(4) 0.2717(4) 0.6396(3) 0.0363(15) Uani 1.0 4 d . . .
N22 N 0.9085(5) 0.2703(4) 0.6553(3) 0.0374(15) Uani 1.0 4 d . . .
N31 N 0.7582(4) 0.5410(4) 0.6329(3) 0.0374(15) Uani 1.0 4 d . . .
N32 N 0.7936(4) 0.6288(4) 0.6044(3) 0.0365(15) Uani 1.0 4 d . . .
C11 C 1.0630(10) 0.8563(9) 0.5962(5) 0.090(4) Uani 1.0 4 d . . .
C12 C 1.1090(7) 0.8854(6) 0.4812(4) 0.059(3) Uani 1.0 4 d . . .
C13 C 1.0734(7) 0.8110(7) 0.5311(5) 0.060(3) Uani 1.0 4 d . . .
C14 C 1.1167(6) 0.7032(6) 0.5345(4) 0.044(2) Uani 1.0 4 d . . .
C15 C 1.2046(6) 0.6672(7) 0.5383(4) 0.049(3) Uani 1.0 4 d . . .
C16 C 1.1991(5) 0.5578(6) 0.5462(3) 0.0415(19) Uani 1.0 4 d . . .
C17 C 1.2692(6) 0.4749(7) 0.5589(4) 0.054(3) Uani 1.0 4 d . . .
C18 C 1.3537(6) 0.4766(9) 0.5165(4) 0.064(3) Uani 1.0 4 d . . .
C19 C 1.2944(8) 0.4753(10) 0.6304(5) 0.080(4) Uani 1.0 4 d . . .
C21 C 1.1734(11) 0.116(3) 0.6169(12) 0.262(12) Uani 1.0 4 d . . .
C22 C 1.1886(7) 0.2178(8) 0.7167(5) 0.065(3) Uani 1.0 4 d . . .
C23 C 1.1390(7) 0.1699(9) 0.6623(4) 0.064(3) Uani 1.0 4 d . . .
C24 C 1.0383(5) 0.1888(6) 0.6691(3) 0.0400(18) Uani 1.0 4 d . . .
C25 C 0.9715(6) 0.1367(6) 0.7032(3) 0.0426(19) Uani 1.0 4 d . . .
C26 C 0.8916(6) 0.1885(5) 0.6943(3) 0.0401(18) Uani 1.0 4 d . . .
C27 C 0.7990(6) 0.1663(7) 0.7222(4) 0.056(3) Uani 1.0 4 d . . .
C28 C 0.7265(8) 0.1681(8) 0.6730(5) 0.072(4) Uani 1.0 4 d . . .
C29 C 0.7803(8) 0.2307(9) 0.7811(5) 0.079(4) Uani 1.0 4 d . . .
C31 C 0.6235(11) 0.4910(11) 0.7627(6) 0.113(6) Uani 1.0 4 d . . .
C32 C 0.5418(11) 0.4483(13) 0.6599(7) 0.127(6) Uani 1.0 4 d . . .
C33 C 0.6219(7) 0.4825(8) 0.6927(5) 0.064(3) Uani 1.0 4 d . . .
C34 C 0.6774(5) 0.5667(6) 0.6594(3) 0.0392(18) Uani 1.0 4 d . . .
C35 C 0.6618(6) 0.6715(6) 0.6475(4) 0.045(2) Uani 1.0 4 d . . .
C36 C 0.7364(5) 0.7086(5) 0.6133(3) 0.0392(18) Uani 1.0 4 d . . .
C37 C 0.7581(8) 0.8166(6) 0.5873(4) 0.062(3) Uani 1.0 4 d . . .
C38 C 0.8056(10) 0.8815(8) 0.6347(6) 0.091(4) Uani 1.0 4 d . . .
C39 C 0.731(3) 0.8436(16) 0.5315(10) 0.329(15) Uani 1.0 4 d . . .
C41 C 0.4675(12) 0.3202(11) 0.1048(7) 0.111(6) Uani 1.0 4 d . . .
C42 C 0.4777(15) 0.4273(13) 0.0803(6) 0.142(8) Uani 1.0 4 d . . .
C43 C 0.4982(13) 0.4501(10) 0.0146(6) 0.113(6) Uani 1.0 4 d . . .
H1 H 1.1219 0.8631 0.6156 0.1089 Uiso 1.0 4 calc R . .
H2 H 1.0351 0.9241 0.5933 0.1089 Uiso 1.0 4 calc R . .
H3 H 1.0267 0.8109 0.6221 0.1088 Uiso 1.0 4 calc R . .
H4 H 1.0735 0.9484 0.4807 0.0702 Uiso 1.0 4 calc R . .
H5 H 1.1705 0.9023 0.4919 0.0701 Uiso 1.0 4 calc R . .
H6 H 1.1062 0.8532 0.4394 0.0701 Uiso 1.0 4 calc R . .
H7 H 1.0111 0.7973 0.5169 0.0728 Uiso 1.0 4 calc R . .
H8 H 1.2396 0.4074 0.5505 0.0644 Uiso 1.0 4 calc R . .
H9 H 1.3843 0.5424 0.5224 0.0768 Uiso 1.0 4 calc R . .
H10 H 1.3934 0.4203 0.5287 0.0769 Uiso 1.0 4 calc R . .
H11 H 1.3360 0.4688 0.4721 0.0768 Uiso 1.0 4 calc R . .
H12 H 1.2414 0.4613 0.6549 0.0961 Uiso 1.0 4 calc R . .
H13 H 1.3392 0.4228 0.6396 0.0961 Uiso 1.0 4 calc R . .
H14 H 1.3178 0.5432 0.6419 0.0961 Uiso 1.0 4 calc R . .
H15 H 1.1573 0.1506 0.5773 0.3149 Uiso 1.0 4 calc R . .
H16 H 1.2379 0.1132 0.6214 0.3149 Uiso 1.0 4 calc R . .
H17 H 1.1498 0.0455 0.6161 0.3149 Uiso 1.0 4 calc R . .
H18 H 1.2305 0.2691 0.7014 0.0780 Uiso 1.0 4 calc R . .
H19 H 1.1468 0.2508 0.7452 0.0780 Uiso 1.0 4 calc R . .
H20 H 1.2208 0.1637 0.7395 0.0780 Uiso 1.0 4 calc R . .
H21 H 1.1442 0.2360 0.6385 0.0771 Uiso 1.0 4 calc R . .
H22 H 0.8018 0.0934 0.7371 0.0676 Uiso 1.0 4 calc R . .
H23 H 0.7380 0.1170 0.6402 0.0859 Uiso 1.0 4 calc R . .
H24 H 0.6698 0.1529 0.6928 0.0859 Uiso 1.0 4 calc R . .
H25 H 0.7241 0.2368 0.6540 0.0859 Uiso 1.0 4 calc R . .
H26 H 0.7814 0.3038 0.7699 0.0949 Uiso 1.0 4 calc R . .
H27 H 0.7217 0.2128 0.7969 0.0949 Uiso 1.0 4 calc R . .
H28 H 0.8250 0.2172 0.8141 0.0950 Uiso 1.0 4 calc R . .
H29 H 0.6074 0.4256 0.7823 0.1363 Uiso 1.0 4 calc R . .
H30 H 0.6829 0.5112 0.7770 0.1363 Uiso 1.0 4 calc R . .
H31 H 0.5810 0.5441 0.7747 0.1364 Uiso 1.0 4 calc R . .
H32 H 0.4964 0.5000 0.6685 0.1524 Uiso 1.0 4 calc R . .
H33 H 0.5504 0.4434 0.6142 0.1523 Uiso 1.0 4 calc R . .
H34 H 0.5228 0.3815 0.6761 0.1523 Uiso 1.0 4 calc R . .
H35 H 0.6591 0.4198 0.6868 0.0774 Uiso 1.0 4 calc R . .
H36 H 0.8155 0.7905 0.5707 0.0750 Uiso 1.0 4 calc R . .
H37 H 0.7678 0.9399 0.6454 0.1090 Uiso 1.0 4 calc R . .
H38 H 0.8182 0.8411 0.6728 0.1090 Uiso 1.0 4 calc R . .
H39 H 0.8611 0.9069 0.6172 0.1089 Uiso 1.0 4 calc R . .
H40 H 0.7762 0.8159 0.5037 0.3914 Uiso 1.0 4 calc R . .
H41 H 0.6736 0.8126 0.5208 0.3914 Uiso 1.0 4 calc R . .
H42 H 0.7273 0.9183 0.5261 0.3914 Uiso 1.0 4 calc R . .
H43 H 0.5246 0.2858 0.1003 0.1337 Uiso 1.0 4 calc R . .
H44 H 0.4518 0.3224 0.1495 0.1337 Uiso 1.0 4 calc R . .
H45 H 0.4220 0.2822 0.0810 0.1338 Uiso 1.0 4 calc R . .
H46 H 0.4193 0.4596 0.0869 0.1706 Uiso 1.0 4 calc R . .
H47 H 0.5230 0.4631 0.1065 0.1705 Uiso 1.0 4 calc R . .
H48 H 0.5576 0.4199 0.0089 0.1356 Uiso 1.0 4 calc R . .
H49 H 0.4543 0.4115 -0.0112 0.1355 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
I1 C15 2.073(9) yes . .
I2 C25 2.089(7) yes . .
I3 C35 2.084(8) yes . .
Ag1 N11 2.106(7) yes . .
Ag1 N32 2.109(6) yes . .
Ag2 N12 2.116(6) yes . .
Ag2 N21 2.111(6) yes . .
Ag3 N22 2.076(6) yes . .
Ag3 N31 2.061(6) yes . .
N11 N12 1.356(9) yes . .
N11 C14 1.350(10) yes . .
N12 C16 1.335(10) yes . .
N21 N22 1.362(9) yes . .
N21 C24 1.358(9) yes . .
N22 C26 1.346(9) yes . .
N31 N32 1.373(8) yes . .
N31 C34 1.366(9) yes . .
N32 C36 1.338(9) yes . .
C11 C13 1.478(13) yes . .
C12 C13 1.505(12) yes . .
C13 C14 1.518(12) yes . .
C14 C15 1.382(12) yes . .
C15 C16 1.407(11) yes . .
C16 C17 1.502(12) yes . .
C17 C18 1.541(13) yes . .
C17 C19 1.523(13) yes . .
C21 C23 1.28(3) yes . .
C22 C23 1.469(13) yes . .
C23 C24 1.520(13) yes . .
C24 C25 1.395(11) yes . .
C25 C26 1.365(11) yes . .
C26 C27 1.524(12) yes . .
C27 C28 1.470(14) yes . .
C27 C29 1.502(13) yes . .
C31 C33 1.454(15) yes . .
C32 C33 1.427(19) yes . .
C33 C34 1.524(12) yes . .
C34 C35 1.378(10) yes . .
C35 C36 1.405(11) yes . .
C36 C37 1.514(10) yes . .
C37 C38 1.458(15) yes . .
C37 C39 1.27(3) yes . .
C41 C42 1.46(2) yes . .
C42 C43 1.431(19) yes . .
C43 C43 1.409(18) yes . 3_665
C11 H1 0.960 no . .
C11 H2 0.960 no . .
C11 H3 0.960 no . .
C12 H4 0.960 no . .
C12 H5 0.960 no . .
C12 H6 0.960 no . .
C13 H7 0.980 no . .
C17 H8 0.980 no . .
C18 H9 0.960 no . .
C18 H10 0.960 no . .
C18 H11 0.960 no . .
C19 H12 0.960 no . .
C19 H13 0.960 no . .
C19 H14 0.960 no . .
C21 H15 0.960 no . .
C21 H16 0.960 no . .
C21 H17 0.960 no . .
C22 H18 0.960 no . .
C22 H19 0.960 no . .
C22 H20 0.960 no . .
C23 H21 0.980 no . .
C27 H22 0.980 no . .
C28 H23 0.960 no . .
C28 H24 0.960 no . .
C28 H25 0.960 no . .
C29 H26 0.960 no . .
C29 H27 0.960 no . .
C29 H28 0.960 no . .
C31 H29 0.960 no . .
C31 H30 0.960 no . .
C31 H31 0.960 no . .
C32 H32 0.960 no . .
C32 H33 0.960 no . .
C32 H34 0.960 no . .
C33 H35 0.980 no . .
C37 H36 0.980 no . .
C38 H37 0.960 no . .
C38 H38 0.960 no . .
C38 H39 0.960 no . .
C39 H40 0.960 no . .
C39 H41 0.960 no . .
C39 H42 0.960 no . .
C41 H43 0.960 no . .
C41 H44 0.960 no . .
C41 H45 0.960 no . .
C42 H46 0.970 no . .
C42 H47 0.970 no . .
C43 H48 0.970 no . .
C43 H49 0.970 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N11 Ag1 N32 172.9(3) yes . . .
N12 Ag2 N21 171.3(2) yes . . .
N22 Ag3 N31 172.9(2) yes . . .
Ag1 N11 N12 119.9(5) yes . . .
Ag1 N11 C14 128.2(5) yes . . .
N12 N11 C14 108.5(7) yes . . .
Ag2 N12 N11 118.3(5) yes . . .
Ag2 N12 C16 127.8(5) yes . . .
N11 N12 C16 109.5(6) yes . . .
Ag2 N21 N22 120.8(4) yes . . .
Ag2 N21 C24 130.9(5) yes . . .
N22 N21 C24 108.1(6) yes . . .
Ag3 N22 N21 118.4(4) yes . . .
Ag3 N22 C26 129.4(5) yes . . .
N21 N22 C26 110.1(6) yes . . .
Ag3 N31 N32 120.4(5) yes . . .
Ag3 N31 C34 130.6(5) yes . . .
N32 N31 C34 108.7(6) yes . . .
Ag1 N32 N31 117.8(4) yes . . .
Ag1 N32 C36 133.5(5) yes . . .
N31 N32 C36 108.3(6) yes . . .
C11 C13 C12 115.1(8) yes . . .
C11 C13 C14 111.1(8) yes . . .
C12 C13 C14 116.7(8) yes . . .
N11 C14 C13 117.1(8) yes . . .
N11 C14 C15 108.2(7) yes . . .
C13 C14 C15 134.5(8) yes . . .
I1 C15 C14 125.9(6) yes . . .
I1 C15 C16 127.8(6) yes . . .
C14 C15 C16 106.2(7) yes . . .
N12 C16 C15 107.5(7) yes . . .
N12 C16 C17 119.7(7) yes . . .
C15 C16 C17 132.6(8) yes . . .
C16 C17 C18 117.1(7) yes . . .
C16 C17 C19 109.1(8) yes . . .
C18 C17 C19 111.4(8) yes . . .
C21 C23 C22 126.1(12) yes . . .
C21 C23 C24 123.7(11) yes . . .
C22 C23 C24 110.2(8) yes . . .
N21 C24 C23 120.9(7) yes . . .
N21 C24 C25 106.4(7) yes . . .
C23 C24 C25 132.6(7) yes . . .
I2 C25 C24 126.1(6) yes . . .
I2 C25 C26 125.0(6) yes . . .
C24 C25 C26 108.8(6) yes . . .
N22 C26 C25 106.6(7) yes . . .
N22 C26 C27 123.3(7) yes . . .
C25 C26 C27 130.0(7) yes . . .
C26 C27 C28 112.7(7) yes . . .
C26 C27 C29 112.7(8) yes . . .
C28 C27 C29 114.5(9) yes . . .
C31 C33 C32 119.9(11) yes . . .
C31 C33 C34 113.5(9) yes . . .
C32 C33 C34 116.7(9) yes . . .
N31 C34 C33 119.7(7) yes . . .
N31 C34 C35 107.9(6) yes . . .
C33 C34 C35 132.4(7) yes . . .
I3 C35 C34 127.0(6) yes . . .
I3 C35 C36 126.4(6) yes . . .
C34 C35 C36 106.6(7) yes . . .
N32 C36 C35 108.6(6) yes . . .
N32 C36 C37 120.2(7) yes . . .
C35 C36 C37 131.2(7) yes . . .
C36 C37 C38 112.2(7) yes . . .
C36 C37 C39 120.4(13) yes . . .
C38 C37 C39 127.2(13) yes . . .
C41 C42 C43 122.9(13) yes . . .
C42 C43 C43 127.0(13) yes . . 3_665
C13 C11 H1 108.170 no . . .
C13 C11 H2 110.215 no . . .
C13 C11 H3 110.094 no . . .
H1 C11 H2 109.451 no . . .
H1 C11 H3 109.446 no . . .
H2 C11 H3 109.443 no . . .
C13 C12 H4 109.650 no . . .
C13 C12 H5 108.890 no . . .
C13 C12 H6 109.958 no . . .
H4 C12 H5 109.440 no . . .
H4 C12 H6 109.440 no . . .
H5 C12 H6 109.447 no . . .
C11 C13 H7 103.451 no . . .
C12 C13 H7 104.132 no . . .
C14 C13 H7 104.404 no . . .
C16 C17 H8 106.336 no . . .
C18 C17 H8 106.055 no . . .
C19 C17 H8 106.138 no . . .
C17 C18 H9 109.102 no . . .
C17 C18 H10 109.916 no . . .
C17 C18 H11 109.476 no . . .
H9 C18 H10 109.443 no . . .
H9 C18 H11 109.442 no . . .
H10 C18 H11 109.448 no . . .
C17 C19 H12 108.893 no . . .
C17 C19 H13 110.524 no . . .
C17 C19 H14 109.073 no . . .
H12 C19 H13 109.445 no . . .
H12 C19 H14 109.445 no . . .
H13 C19 H14 109.441 no . . .
C23 C21 H15 106.363 no . . .
C23 C21 H16 110.591 no . . .
C23 C21 H17 111.499 no . . .
H15 C21 H16 109.447 no . . .
H15 C21 H17 109.440 no . . .
H16 C21 H17 109.440 no . . .
C23 C22 H18 110.373 no . . .
C23 C22 H19 109.555 no . . .
C23 C22 H20 108.577 no . . .
H18 C22 H19 109.438 no . . .
H18 C22 H20 109.437 no . . .
H19 C22 H20 109.442 no . . .
C21 C23 H21 93.311 no . . .
C22 C23 H21 89.304 no . . .
C24 C23 H21 89.701 no . . .
C26 C27 H22 105.192 no . . .
C28 C27 H22 105.156 no . . .
C29 C27 H22 105.549 no . . .
C27 C28 H23 110.184 no . . .
C27 C28 H24 109.576 no . . .
C27 C28 H25 108.735 no . . .
H23 C28 H24 109.440 no . . .
H23 C28 H25 109.447 no . . .
H24 C28 H25 109.442 no . . .
C27 C29 H26 109.159 no . . .
C27 C29 H27 109.058 no . . .
C27 C29 H28 110.297 no . . .
H26 C29 H27 109.437 no . . .
H26 C29 H28 109.446 no . . .
H27 C29 H28 109.428 no . . .
C33 C31 H29 111.003 no . . .
C33 C31 H30 109.302 no . . .
C33 C31 H31 108.190 no . . .
H29 C31 H30 109.441 no . . .
H29 C31 H31 109.437 no . . .
H30 C31 H31 109.442 no . . .
C33 C32 H32 106.373 no . . .
C33 C32 H33 111.550 no . . .
C33 C32 H34 110.527 no . . .
H32 C32 H33 109.446 no . . .
H32 C32 H34 109.441 no . . .
H33 C32 H34 109.443 no . . .
C31 C33 H35 100.618 no . . .
C32 C33 H35 99.067 no . . .
C34 C33 H35 102.068 no . . .
C36 C37 H36 90.400 no . . .
C38 C37 H36 90.958 no . . .
C39 C37 H36 92.150 no . . .
C37 C38 H37 108.575 no . . .
C37 C38 H38 109.728 no . . .
C37 C38 H39 110.193 no . . .
H37 C38 H38 109.438 no . . .
H37 C38 H39 109.444 no . . .
H38 C38 H39 109.444 no . . .
C37 C39 H40 103.531 no . . .
C37 C39 H41 111.648 no . . .
C37 C39 H42 113.137 no . . .
H40 C39 H41 109.445 no . . .
H40 C39 H42 109.439 no . . .
H41 C39 H42 109.447 no . . .
C42 C41 H43 107.286 no . . .
C42 C41 H44 109.597 no . . .
C42 C41 H45 111.583 no . . .
H43 C41 H44 109.441 no . . .
H43 C41 H45 109.439 no . . .
H44 C41 H45 109.451 no . . .
C41 C42 H46 104.392 no . . .
C41 C42 H47 108.628 no . . .
C43 C42 H46 104.518 no . . .
C43 C42 H47 106.367 no . . .
H46 C42 H47 109.499 no . . .
C42 C43 H48 103.999 no . . .
C42 C43 H49 105.787 no . . .
C43 C43 H48 105.344 no 3_665 . .
C43 C43 H49 104.556 no 3_665 . .
H48 C43 H49 109.492 no . . .

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
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ag1 N11 N12 Ag2 -1.5(7) no . . . .
Ag1 N11 N12 C16 -159.8(4) no . . . .
Ag1 N11 C14 C13 -17.5(9) no . . . .
Ag1 N11 C14 C15 158.5(4) no . . . .
N12 N11 C14 C13 -176.4(5) no . . . .
N12 N11 C14 C15 -0.4(7) no . . . .
C14 N11 N12 Ag2 159.4(5) no . . . .
C14 N11 N12 C16 1.1(7) no . . . .
Ag2 N12 C16 C15 -157.0(4) no . . . .
Ag2 N12 C16 C17 18.7(8) no . . . .
N11 N12 C16 C15 -1.4(7) no . . . .
N11 N12 C16 C17 174.4(5) no . . . .
Ag2 N21 N22 Ag3 -9.5(6) no . . . .
Ag2 N21 N22 C26 -174.4(3) no . . . .
Ag2 N21 C24 C23 -4.7(8) no . . . .
Ag2 N21 C24 C25 173.8(4) no . . . .
N22 N21 C24 C23 -178.5(5) no . . . .
N22 N21 C24 C25 0.0(6) no . . . .
C24 N21 N22 Ag3 165.1(4) no . . . .
C24 N21 N22 C26 0.2(6) no . . . .
Ag3 N22 C26 C25 -163.0(4) no . . . .
Ag3 N22 C26 C27 15.4(9) no . . . .
N21 N22 C26 C25 -0.3(7) no . . . .
N21 N22 C26 C27 178.1(5) no . . . .
Ag3 N31 N32 Ag1 -0.3(6) no . . . .
Ag3 N31 N32 C36 -173.8(3) no . . . .
Ag3 N31 C34 C33 -8.2(9) no . . . .
Ag3 N31 C34 C35 173.4(4) no . . . .
N32 N31 C34 C33 178.3(5) no . . . .
N32 N31 C34 C35 -0.0(7) no . . . .
C34 N31 N32 Ag1 174.0(4) no . . . .
C34 N31 N32 C36 0.5(7) no . . . .
Ag1 N32 C36 C35 -172.8(4) no . . . .
Ag1 N32 C36 C37 7.5(9) no . . . .
N31 N32 C36 C35 -0.7(7) no . . . .
N31 N32 C36 C37 179.6(5) no . . . .
C11 C13 C14 N11 90.0(10) no . . . .
C11 C13 C14 C15 -84.6(11) no . . . .
C12 C13 C14 N11 -135.2(8) no . . . .
C12 C13 C14 C15 50.2(12) no . . . .
N11 C14 C15 I1 -177.7(5) no . . . .
N11 C14 C15 C16 -0.4(7) no . . . .
C13 C14 C15 I1 -2.8(12) no . . . .
C13 C14 C15 C16 174.5(8) no . . . .
I1 C15 C16 N12 178.3(4) no . . . .
I1 C15 C16 C17 3.3(11) no . . . .
C14 C15 C16 N12 1.1(7) no . . . .
C14 C15 C16 C17 -173.9(6) no . . . .
N12 C16 C17 C18 137.6(6) no . . . .
N12 C16 C17 C19 -94.8(7) no . . . .
C15 C16 C17 C18 -47.9(11) no . . . .
C15 C16 C17 C19 79.7(9) no . . . .
C21 C23 C24 N21 -88.7(18) no . . . .
C21 C23 C24 C25 93.2(17) no . . . .
C22 C23 C24 N21 94.2(8) no . . . .
C22 C23 C24 C25 -83.9(11) no . . . .
N21 C24 C25 I2 -177.6(5) no . . . .
N21 C24 C25 C26 -0.2(7) no . . . .
C23 C24 C25 I2 0.7(11) no . . . .
C23 C24 C25 C26 178.1(7) no . . . .
I2 C25 C26 N22 177.8(4) no . . . .
I2 C25 C26 C27 -0.5(10) no . . . .
C24 C25 C26 N22 0.3(7) no . . . .
C24 C25 C26 C27 -178.0(6) no . . . .
N22 C26 C27 C28 49.5(9) no . . . .
N22 C26 C27 C29 -81.9(8) no . . . .
C25 C26 C27 C28 -132.4(7) no . . . .
C25 C26 C27 C29 96.2(9) no . . . .
C31 C33 C34 N31 106.1(10) no . . . .
C31 C33 C34 C35 -76.0(12) no . . . .
C32 C33 C34 N31 -108.1(10) no . . . .
C32 C33 C34 C35 69.9(13) no . . . .
N31 C34 C35 I3 -177.9(5) no . . . .
N31 C34 C35 C36 -0.4(7) no . . . .
C33 C34 C35 I3 4.1(12) no . . . .
C33 C34 C35 C36 -178.5(7) no . . . .
I3 C35 C36 N32 178.2(4) no . . . .
I3 C35 C36 C37 -2.2(11) no . . . .
C34 C35 C36 N32 0.7(8) no . . . .
C34 C35 C36 C37 -179.7(6) no . . . .
N32 C36 C37 C38 -92.4(8) no . . . .
N32 C36 C37 C39 91.6(11) no . . . .
C35 C36 C37 C38 88.0(11) no . . . .
C35 C36 C37 C39 -88.0(11) no . . . .
C41 C42 C43 C43 174.3(16) no . . . 3_665
C42 C43 C43 C42 180(612804) no . . 3_665 3_665

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
I2 C27 3.585(9) no . .
Ag1 Ag2 3.4082(8) no . .
Ag1 Ag3 3.4007(8) no . .
Ag1 C13 3.389(10) no . .
Ag1 C37 3.563(10) no . .
Ag2 Ag3 3.4428(10) no . .
Ag2 C17 3.430(9) no . .
Ag2 C23 3.536(11) no . .
Ag3 C27 3.537(9) no . .
Ag3 C28 3.473(11) no . .
Ag3 C33 3.478(10) no . .
N11 C11 3.233(13) no . .
N12 C19 3.283(13) no . .
N21 C21 3.32(3) no . .
N21 C22 3.304(12) no . .
N22 C28 3.024(13) no . .
N22 C29 3.291(12) no . .
N31 C31 3.435(15) no . .
N31 C32 3.472(17) no . .
N32 C38 3.285(12) no . .
N32 C39 3.26(3) no . .
C11 C15 3.425(15) no . .
C12 C15 3.331(12) no . .
C15 C18 3.319(13) no . .
C15 C19 3.365(14) no . .
C21 C25 3.52(2) no . .
C22 C25 3.388(13) no . .
C25 C29 3.495(14) no . .
C31 C35 3.370(15) no . .
C32 C35 3.368(18) no . .
C35 C38 3.433(15) no . .
C35 C39 3.42(3) no . .
I2 Ag2 3.5043(8) no . 2_746
I2 Ag3 3.5698(8) no . 2_746
Ag1 Ag2 3.2049(7) no . 3_766
Ag1 N12 3.069(6) no . 3_766
Ag2 I2 3.5043(8) no . 2_756
Ag2 Ag1 3.2049(7) no . 3_766
Ag2 N11 3.076(6) no . 3_766
Ag3 I2 3.5698(8) no . 2_756
N11 Ag2 3.076(6) no . 3_766
N12 Ag1 3.069(6) no . 3_766
N21 C12 3.557(10) no . 3_766
N22 C12 3.462(9) no . 3_766
N31 C18 3.499(10) no . 3_766
N32 C18 3.563(11) no . 3_766
C12 N21 3.557(10) no . 3_766
C12 N22 3.462(9) no . 3_766
C18 N31 3.499(10) no . 3_766
C18 N32 3.563(11) no . 3_766
C21 C39 3.45(4) no . 3_766
C39 C21 3.45(4) no . 3_766
I1 H5 3.0032 no . .
I1 H9 2.9433 no . .
I1 H14 3.5127 no . .
I2 H22 3.0461 no . .
I3 H31 3.4324 no . .
I3 H32 3.4244 no . .
Ag1 H3 3.0904 no . .
Ag1 H7 2.8214 no . .
Ag1 H36 2.7301 no . .
Ag1 H40 3.5831 no . .
Ag2 H8 2.8977 no . .
Ag2 H12 3.2429 no . .
Ag2 H15 3.5166 no . .
Ag2 H21 2.6903 no . .
Ag3 H25 2.6910 no . .
Ag3 H26 3.1216 no . .
Ag3 H35 2.7781 no . .
N11 H1 3.5864 no . .
N11 H3 3.0237 no . .
N11 H7 2.4212 no . .
N12 H8 2.4736 no . .
N12 H12 3.0800 no . .
N21 H15 3.1246 no . .
N21 H19 3.1016 no . .
N21 H21 2.2227 no . .
N22 H21 3.5422 no . .
N22 H22 3.2489 no . .
N22 H23 3.2064 no . .
N22 H25 2.7667 no . .
N22 H26 3.0850 no . .
N31 H30 3.2291 no . .
N31 H33 3.3384 no . .
N31 H35 2.4174 no . .
N31 H36 3.5403 no . .
N32 H36 2.2021 no . .
N32 H38 3.0742 no . .
N32 H40 3.1786 no . .
N32 H41 3.4011 no . .
C11 H4 2.6731 no . .
C11 H5 2.7683 no . .
C11 H6 3.3241 no . .
C11 H39 3.0984 no . .
C12 H1 2.8059 no . .
C12 H2 2.6314 no . .
C12 H3 3.3219 no . .
C14 H1 2.6421 no . .
C14 H2 3.3049 no . .
C14 H3 2.6530 no . .
C14 H4 3.3763 no . .
C14 H5 2.8061 no . .
C14 H6 2.7499 no . .
C15 H1 3.2198 no . .
C15 H5 3.1848 no . .
C15 H6 3.4444 no . .
C15 H7 3.3365 no . .
C15 H8 3.3614 no . .
C15 H9 3.1239 no . .
C15 H11 3.4860 no . .
C15 H14 3.1334 no . .
C16 H9 2.8032 no . .
C16 H10 3.3959 no . .
C16 H11 2.8040 no . .
C16 H12 2.6349 no . .
C16 H13 3.3014 no . .
C16 H14 2.6374 no . .
C18 H12 3.3450 no . .
C18 H13 2.6549 no . .
C18 H14 2.7921 no . .
C19 H9 2.7591 no . .
C19 H10 2.6806 no . .
C19 H11 3.3504 no . .
C19 H18 3.1647 no . .
C21 H18 2.7515 no . .
C21 H19 3.2001 no . .
C21 H20 2.6984 no . .
C22 H12 3.4516 no . .
C22 H15 3.0434 no . .
C22 H16 2.5019 no . .
C22 H17 3.0773 no . .
C24 H15 2.6585 no . .
C24 H16 3.2776 no . .
C24 H17 2.7074 no . .
C24 H18 3.0913 no . .
C24 H19 2.3722 no . .
C24 H20 3.0715 no . .
C25 H17 3.4275 no . .
C25 H19 3.0922 no . .
C25 H21 3.1715 no . .
C25 H22 2.6798 no . .
C25 H28 3.3473 no . .
C26 H23 2.6814 no . .
C26 H24 3.3176 no . .
C26 H25 2.6785 no . .
C26 H26 2.7134 no . .
C26 H27 3.3362 no . .
C26 H28 2.7119 no . .
C28 H26 2.7630 no . .
C28 H27 2.6336 no . .
C28 H28 3.3087 no . .
C28 H35 3.3730 no . .
C29 H23 3.3137 no . .
C29 H24 2.6317 no . .
C29 H25 2.7535 no . .
C29 H29 3.5697 no . .
C29 H35 3.5706 no . .
C31 H26 3.3450 no . .
C31 H32 2.6937 no . .
C31 H33 3.3032 no . .
C31 H34 2.7047 no . .
C32 H29 2.7195 no . .
C32 H30 3.2799 no . .
C32 H31 2.7304 no . .
C33 H25 3.5761 no . .
C34 H29 3.3000 no . .
C34 H30 2.5404 no . .
C34 H31 2.8195 no . .
C34 H32 2.8235 no . .
C34 H33 2.6138 no . .
C34 H34 3.3123 no . .
C35 H30 3.3855 no . .
C35 H31 3.3356 no . .
C35 H32 3.3196 no . .
C35 H33 3.4092 no . .
C35 H35 3.3110 no . .
C35 H36 3.1834 no . .
C35 H38 3.2066 no . .
C35 H41 3.1915 no . .
C36 H37 3.0564 no . .
C36 H38 2.4088 no . .
C36 H39 3.1311 no . .
C36 H40 2.7250 no . .
C36 H41 2.5000 no . .
C36 H42 3.2278 no . .
C38 H2 3.5630 no . .
C38 H3 3.4123 no . .
C38 H40 2.8694 no . .
C38 H41 3.1681 no . .
C38 H42 2.5599 no . .
C39 H37 2.7090 no . .
C39 H38 3.1850 no . .
C39 H39 2.7257 no . .
C41 H48 2.7268 no . .
C41 H49 2.6761 no . .
C42 H48 2.7305 no . 3_665
C42 H49 2.7084 no . 3_665
C43 H43 2.7718 no . .
C43 H44 3.3181 no . .
C43 H45 2.7922 no . .
C43 H46 2.7074 no . 3_665
C43 H47 2.7561 no . 3_665
H1 H4 3.0760 no . .
H1 H5 2.7216 no . .
H1 H7 2.7359 no . .
H2 H4 2.4306 no . .
H2 H5 2.9417 no . .
H2 H6 3.4956 no . .
H2 H7 2.2870 no . .
H2 H39 2.6429 no . .
H3 H4 3.4940 no . .
H3 H7 2.1968 no . .
H3 H36 3.3026 no . .
H3 H38 3.3014 no . .
H3 H39 2.7424 no . .
H4 H7 2.2687 no . .
H5 H7 2.7706 no . .
H6 H7 2.2686 no . .
H7 H36 3.1244 no . .
H7 H39 3.3711 no . .
H7 H40 3.4972 no . .
H8 H9 2.8178 no . .
H8 H10 2.3372 no . .
H8 H11 2.3180 no . .
H8 H12 2.2707 no . .
H8 H13 2.3550 no . .
H8 H14 2.8032 no . .
H8 H15 3.5402 no . .
H8 H18 3.5942 no . .
H8 H21 3.1904 no . .
H9 H13 2.9552 no . .
H9 H14 2.6801 no . .
H10 H12 3.5188 no . .
H10 H13 2.4484 no . .
H10 H14 3.0483 no . .
H11 H13 3.5234 no . .
H12 H18 2.6376 no . .
H12 H19 3.5703 no . .
H12 H21 3.2284 no . .
H13 H18 2.8518 no . .
H15 H18 3.1614 no . .
H15 H20 3.4825 no . .
H15 H21 1.6856 no . .
H16 H18 2.5914 no . .
H16 H19 3.4052 no . .
H16 H20 2.5477 no . .
H16 H21 2.1260 no . .
H17 H18 3.5523 no . .
H17 H20 3.1369 no . .
H17 H21 2.4742 no . .
H18 H21 1.8617 no . .
H19 H21 2.2206 no . .
H20 H21 2.5406 no . .
H22 H23 2.2291 no . .
H22 H24 2.2781 no . .
H22 H25 2.7523 no . .
H22 H26 2.7830 no . .
H22 H27 2.3029 no . .
H22 H28 2.2658 no . .
H23 H27 3.4840 no . .
H24 H26 2.9839 no . .
H24 H27 2.4050 no . .
H24 H28 3.4794 no . .
H24 H35 3.4074 no . .
H25 H26 2.6760 no . .
H25 H27 2.9801 no . .
H25 H34 3.5440 no . .
H25 H35 2.6181 no . .
H26 H29 3.0255 no . .
H26 H30 3.0247 no . .
H26 H35 2.8882 no . .
H27 H29 3.2105 no . .
H29 H32 3.0083 no . .
H29 H33 3.5809 no . .
H29 H34 2.5792 no . .
H29 H35 2.1355 no . .
H30 H32 3.5398 no . .
H30 H34 3.5481 no . .
H30 H35 2.2266 no . .
H31 H32 2.5792 no . .
H31 H33 3.5893 no . .
H31 H34 3.0279 no . .
H31 H35 2.6903 no . .
H32 H35 2.6414 no . .
H33 H35 2.2089 no . .
H34 H35 2.0878 no . .
H36 H37 2.5610 no . .
H36 H38 2.2140 no . .
H36 H39 1.8894 no . .
H36 H40 1.5330 no . .
H36 H41 2.3463 no . .
H36 H42 2.2753 no . .
H37 H40 3.3409 no . .
H37 H41 3.3389 no . .
H37 H42 2.5505 no . .
H38 H40 3.5680 no . .
H38 H42 3.4515 no . .
H39 H40 2.8959 no . .
H39 H42 2.7226 no . .
H43 H46 2.7220 no . .
H43 H47 2.2644 no . .
H43 H48 2.6055 no . .
H43 H49 2.9885 no . .
H44 H46 2.2258 no . .
H44 H47 2.2706 no . .
H44 H48 3.5565 no . .
H44 H49 3.5216 no . .
H45 H46 2.2639 no . .
H45 H47 2.7946 no . .
H45 H48 3.0733 no . .
H45 H49 2.5740 no . .
H46 H48 2.6793 no . .
H46 H48 2.5382 no . 3_665
H46 H49 2.1945 no . .
H46 H49 2.9611 no . 3_665
H47 H48 2.1665 no . .
H47 H48 3.0462 no . 3_665
H47 H49 2.7106 no . .
H47 H49 2.5669 no . 3_665
H48 H48 2.6829 no . 3_665
H48 H49 2.1567 no . 3_665
H49 H49 2.6691 no . 3_665
I1 H27 3.5603 no . 2_756
I1 H48 2.9054 no . 2_755
I3 H29 3.2841 no . 2_656
I3 H34 3.5909 no . 2_656
Ag1 H8 3.4380 no . 3_766
Ag2 H7 3.3891 no . 3_766
N21 H6 2.7380 no . 3_766
N21 H7 3.3635 no . 3_766
N22 H6 2.5221 no . 3_766
N31 H11 2.5704 no . 3_766
N31 H20 3.0852 no . 2_756
N32 H8 3.2758 no . 3_766
N32 H11 2.7678 no . 3_766
N32 H19 3.5825 no . 2_756
N32 H20 3.2766 no . 2_756
C11 H4 3.5684 no . 3_776
C11 H17 2.7618 no . 1_565
C11 H28 3.0445 no . 2_756
C12 H2 3.5691 no . 3_776
C12 H4 3.5342 no . 3_776
C12 H17 3.5084 no . 1_565
C12 H23 3.4131 no . 3_766
C12 H39 3.3770 no . 3_776
C12 H42 3.4918 no . 3_776
C14 H28 3.2481 no . 2_756
C15 H28 3.1640 no . 2_756
C16 H28 3.5604 no . 2_756
C18 H33 3.5509 no . 1_655
C18 H33 3.2444 no . 3_766
C19 H22 3.4586 no . 2_756
C19 H27 3.3913 no . 2_756
C19 H32 3.1009 no . 1_655
C21 H1 3.3085 no . 1_545
C21 H2 3.2199 no . 1_545
C21 H30 3.3183 no . 2_746
C21 H40 2.7609 no . 3_766
C21 H42 3.3591 no . 3_766
C22 H30 3.2526 no . 2_746
C22 H38 2.7805 no . 2_746
C23 H30 3.5424 no . 2_746
C24 H6 3.1270 no . 3_766
C25 H6 3.1576 no . 3_766
C26 H6 2.8215 no . 3_766
C27 H37 3.3252 no . 1_545
C28 H6 3.4397 no . 3_766
C28 H37 3.0295 no . 1_545
C28 H43 3.3810 no . 4_555
C29 H1 3.0719 no . 2_746
C29 H14 3.2330 no . 2_746
C31 H16 3.5035 no . 2_756
C31 H20 3.1894 no . 2_756
C31 H44 3.2060 no . 3_666
C31 H46 3.2538 no . 3_666
C31 H47 3.5500 no . 3_666
C32 H10 3.4905 no . 1_455
C32 H11 3.4694 no . 3_766
C32 H13 3.0438 no . 1_455
C32 H14 3.5475 no . 1_455
C32 H43 3.2377 no . 4_555
C33 H11 3.5370 no . 3_766
C33 H20 3.5556 no . 2_756
C34 H11 2.7667 no . 3_766
C34 H20 2.8468 no . 2_756
C35 H11 3.0586 no . 3_766
C35 H20 2.8979 no . 2_756
C36 H11 3.0561 no . 3_766
C36 H19 3.4263 no . 2_756
C36 H20 3.1605 no . 2_756
C38 H19 3.0689 no . 2_756
C38 H22 3.4381 no . 1_565
C38 H23 3.1674 no . 1_565
C39 H5 3.5899 no . 3_776
C39 H15 2.8216 no . 3_766
C39 H16 3.2593 no . 3_766
C39 H45 3.3220 no . 2_655
C39 H49 2.9027 no . 2_655
C41 H16 3.5299 no . 4_454
C41 H24 3.5037 no . 4_554
C41 H31 3.1308 no . 3_666
C41 H33 3.5830 no . 4_554
C41 H34 3.0713 no . 4_554
C41 H41 3.3158 no . 2_645
C42 H31 3.1624 no . 3_666
C42 H41 3.3795 no . 2_645
C43 H41 3.1679 no . 2_645
C43 H42 3.4580 no . 2_645
H1 C21 3.3085 no . 1_565
H1 C29 3.0719 no . 2_756
H1 H17 2.3616 no . 1_565
H1 H26 2.8565 no . 2_756
H1 H27 3.4932 no . 2_756
H1 H28 2.4833 no . 2_756
H2 C12 3.5691 no . 3_776
H2 C21 3.2199 no . 1_565
H2 H4 2.7403 no . 3_776
H2 H6 3.5856 no . 3_776
H2 H15 3.4263 no . 1_565
H2 H17 2.3418 no . 1_565
H3 H17 3.5060 no . 1_565
H3 H26 3.5949 no . 2_756
H3 H28 2.8149 no . 2_756
H4 C11 3.5684 no . 3_776
H4 C12 3.5342 no . 3_776
H4 H2 2.7403 no . 3_776
H4 H4 2.6772 no . 3_776
H4 H7 3.4762 no . 3_776
H4 H15 3.4815 no . 1_565
H4 H17 3.2554 no . 1_565
H4 H39 2.9209 no . 3_776
H4 H42 3.4126 no . 3_776
H5 C39 3.5899 no . 3_776
H5 H17 3.1755 no . 1_565
H5 H23 3.0839 no . 3_766
H5 H39 3.3508 no . 3_776
H5 H42 2.7724 no . 3_776
H6 N21 2.7380 no . 3_766
H6 N22 2.5221 no . 3_766
H6 C24 3.1270 no . 3_766
H6 C25 3.1576 no . 3_766
H6 C26 2.8215 no . 3_766
H6 C28 3.4397 no . 3_766
H6 H2 3.5856 no . 3_776
H6 H23 2.8831 no . 3_766
H6 H25 3.3967 no . 3_766
H6 H39 3.3147 no . 3_776
H7 Ag2 3.3891 no . 3_766
H7 N21 3.3635 no . 3_766
H7 H4 3.4762 no . 3_776
H7 H15 3.2160 no . 3_766
H8 Ag1 3.4380 no . 3_766
H8 N32 3.2758 no . 3_766
H8 H40 3.0675 no . 3_766
H8 H41 3.4294 no . 3_766
H9 H10 3.5087 no . 3_866
H9 H32 3.4772 no . 1_655
H9 H33 3.3381 no . 1_655
H9 H33 3.0121 no . 3_766
H10 C32 3.4905 no . 1_655
H10 H9 3.5087 no . 3_866
H10 H32 3.4109 no . 1_655
H10 H33 2.9192 no . 1_655
H10 H33 3.5447 no . 3_766
H10 H41 3.2897 no . 3_766
H10 H43 3.5778 no . 4_655
H10 H45 2.8298 no . 4_655
H11 N31 2.5704 no . 3_766
H11 N32 2.7678 no . 3_766
H11 C32 3.4694 no . 3_766
H11 C33 3.5370 no . 3_766
H11 C34 2.7667 no . 3_766
H11 C35 3.0586 no . 3_766
H11 C36 3.0561 no . 3_766
H11 H33 2.7161 no . 3_766
H11 H35 3.5890 no . 3_766
H11 H41 3.5934 no . 3_766
H12 H22 2.8806 no . 2_756
H12 H27 3.3997 no . 2_756
H12 H28 3.4701 no . 2_756
H13 C32 3.0438 no . 1_655
H13 H32 2.5915 no . 1_655
H13 H33 3.1943 no . 1_655
H13 H34 2.8627 no . 1_655
H13 H44 3.5482 no . 4_655
H13 H45 3.1405 no . 4_655
H14 C29 3.2330 no . 2_756
H14 C32 3.5475 no . 1_655
H14 H22 3.1597 no . 2_756
H14 H27 2.5795 no . 2_756
H14 H28 3.2089 no . 2_756
H14 H32 2.7517 no . 1_655
H15 C39 2.8216 no . 3_766
H15 H2 3.4263 no . 1_545
H15 H4 3.4815 no . 1_545
H15 H7 3.2160 no . 3_766
H15 H36 3.1908 no . 3_766
H15 H40 2.0060 no . 3_766
H15 H41 3.2856 no . 3_766
H15 H42 2.9005 no . 3_766
H16 C31 3.5035 no . 2_746
H16 C39 3.2593 no . 3_766
H16 C41 3.5299 no . 4_655
H16 H30 2.7257 no . 2_746
H16 H31 3.5274 no . 2_746
H16 H40 2.7513 no . 3_766
H16 H41 3.3804 no . 3_766
H16 H42 3.1367 no . 3_766
H16 H44 3.3192 no . 4_655
H16 H45 3.1626 no . 4_655
H16 H46 2.9435 no . 4_655
H17 C11 2.7618 no . 1_545
H17 C12 3.5084 no . 1_545
H17 H1 2.3616 no . 1_545
H17 H2 2.3418 no . 1_545
H17 H3 3.5060 no . 1_545
H17 H4 3.2554 no . 1_545
H17 H5 3.1755 no . 1_545
H17 H30 3.3290 no . 2_746
H17 H40 3.2519 no . 3_766
H17 H42 3.5211 no . 3_766
H18 H30 3.5556 no . 2_746
H18 H38 2.8678 no . 2_746
H19 N32 3.5825 no . 2_746
H19 C36 3.4263 no . 2_746
H19 C38 3.0689 no . 2_746
H19 H37 3.5309 no . 2_746
H19 H38 2.1099 no . 2_746
H19 H39 3.4798 no . 2_746
H20 N31 3.0852 no . 2_746
H20 N32 3.2766 no . 2_746
H20 C31 3.1894 no . 2_746
H20 C33 3.5556 no . 2_746
H20 C34 2.8468 no . 2_746
H20 C35 2.8979 no . 2_746
H20 C36 3.1605 no . 2_746
H20 H30 2.4390 no . 2_746
H20 H31 3.3264 no . 2_746
H20 H38 2.9640 no . 2_746
H21 H40 3.2599 no . 3_766
H22 C19 3.4586 no . 2_746
H22 C38 3.4381 no . 1_545
H22 H12 2.8806 no . 2_746
H22 H14 3.1597 no . 2_746
H22 H37 2.7704 no . 1_545
H22 H38 3.4920 no . 1_545
H22 H39 3.5606 no . 1_545
H23 C12 3.4131 no . 3_766
H23 C38 3.1674 no . 1_545
H23 H5 3.0839 no . 3_766
H23 H6 2.8831 no . 3_766
H23 H37 2.3026 no . 1_545
H23 H39 3.2797 no . 1_545
H23 H42 3.4670 no . 1_545
H23 H43 3.4848 no . 4_555
H23 H47 3.4093 no . 4_555
H24 C41 3.5037 no . 4_555
H24 H37 3.2390 no . 1_545
H24 H43 2.9653 no . 4_555
H24 H44 3.3550 no . 4_555
H24 H47 3.1641 no . 4_555
H25 H6 3.3967 no . 3_766
H25 H43 3.1565 no . 4_555
H26 H1 2.8565 no . 2_746
H26 H3 3.5949 no . 2_746
H27 I1 3.5603 no . 2_746
H27 C19 3.3913 no . 2_746
H27 H1 3.4932 no . 2_746
H27 H12 3.3997 no . 2_746
H27 H14 2.5795 no . 2_746
H28 C11 3.0445 no . 2_746
H28 C14 3.2481 no . 2_746
H28 C15 3.1640 no . 2_746
H28 C16 3.5604 no . 2_746
H28 H1 2.4833 no . 2_746
H28 H3 2.8149 no . 2_746
H28 H12 3.4701 no . 2_746
H28 H14 3.2089 no . 2_746
H29 I3 3.2841 no . 2_646
H29 H46 3.1114 no . 3_666
H29 H47 3.3467 no . 3_666
H30 C21 3.3183 no . 2_756
H30 C22 3.2526 no . 2_756
H30 C23 3.5424 no . 2_756
H30 H16 2.7257 no . 2_756
H30 H17 3.3290 no . 2_756
H30 H18 3.5556 no . 2_756
H30 H20 2.4390 no . 2_756
H30 H44 3.3015 no . 3_666
H30 H46 3.2436 no . 3_666
H31 C41 3.1308 no . 3_666
H31 C42 3.1624 no . 3_666
H31 H16 3.5274 no . 2_756
H31 H20 3.3264 no . 2_756
H31 H44 2.3709 no . 3_666
H31 H46 2.8689 no . 3_666
H31 H47 2.9276 no . 3_666
H32 C19 3.1009 no . 1_455
H32 H9 3.4772 no . 1_455
H32 H10 3.4109 no . 1_455
H32 H13 2.5915 no . 1_455
H32 H14 2.7517 no . 1_455
H33 C18 3.5509 no . 1_455
H33 C18 3.2444 no . 3_766
H33 C41 3.5830 no . 4_555
H33 H9 3.3381 no . 1_455
H33 H9 3.0121 no . 3_766
H33 H10 2.9192 no . 1_455
H33 H10 3.5447 no . 3_766
H33 H11 2.7161 no . 3_766
H33 H13 3.1943 no . 1_455
H33 H43 2.9598 no . 4_555
H33 H45 3.5115 no . 4_555
H34 I3 3.5909 no . 2_646
H34 C41 3.0713 no . 4_555
H34 H13 2.8627 no . 1_455
H34 H43 2.6488 no . 4_555
H34 H44 2.8540 no . 4_555
H34 H45 3.2226 no . 4_555
H35 H11 3.5890 no . 3_766
H36 H15 3.1908 no . 3_766
H37 C27 3.3252 no . 1_565
H37 C28 3.0295 no . 1_565
H37 H19 3.5309 no . 2_756
H37 H22 2.7704 no . 1_565
H37 H23 2.3026 no . 1_565
H37 H24 3.2390 no . 1_565
H38 C22 2.7805 no . 2_756
H38 H18 2.8678 no . 2_756
H38 H19 2.1099 no . 2_756
H38 H20 2.9640 no . 2_756
H38 H22 3.4920 no . 1_565
H39 C12 3.3770 no . 3_776
H39 H4 2.9209 no . 3_776
H39 H5 3.3508 no . 3_776
H39 H6 3.3147 no . 3_776
H39 H19 3.4798 no . 2_756
H39 H22 3.5606 no . 1_565
H39 H23 3.2797 no . 1_565
H40 C21 2.7609 no . 3_766
H40 H8 3.0675 no . 3_766
H40 H15 2.0060 no . 3_766
H40 H16 2.7513 no . 3_766
H40 H17 3.2519 no . 3_766
H40 H21 3.2599 no . 3_766
H40 H45 3.4267 no . 2_655
H41 C41 3.3158 no . 2_655
H41 C42 3.3795 no . 2_655
H41 C43 3.1679 no . 2_655
H41 H8 3.4294 no . 3_766
H41 H10 3.2897 no . 3_766
H41 H11 3.5934 no . 3_766
H41 H15 3.2856 no . 3_766
H41 H16 3.3804 no . 3_766
H41 H45 2.5536 no . 2_655
H41 H46 3.2090 no . 2_655
H41 H49 2.2824 no . 2_655
H42 C12 3.4918 no . 3_776
H42 C21 3.3591 no . 3_766
H42 C43 3.4580 no . 2_655
H42 H4 3.4126 no . 3_776
H42 H5 2.7724 no . 3_776
H42 H15 2.9005 no . 3_766
H42 H16 3.1367 no . 3_766
H42 H17 3.5211 no . 3_766
H42 H23 3.4670 no . 1_565
H42 H45 3.5623 no . 2_655
H42 H46 3.2153 no . 2_655
H42 H48 3.2682 no . 4_565
H42 H49 2.7053 no . 2_655
H43 C28 3.3810 no . 4_554
H43 C32 3.2377 no . 4_554
H43 H10 3.5778 no . 4_454
H43 H23 3.4848 no . 4_554
H43 H24 2.9653 no . 4_554
H43 H25 3.1565 no . 4_554
H43 H33 2.9598 no . 4_554
H43 H34 2.6488 no . 4_554
H44 C31 3.2060 no . 3_666
H44 H13 3.5482 no . 4_454
H44 H16 3.3192 no . 4_454
H44 H24 3.3550 no . 4_554
H44 H30 3.3015 no . 3_666
H44 H31 2.3709 no . 3_666
H44 H34 2.8540 no . 4_554
H45 C39 3.3220 no . 2_645
H45 H10 2.8298 no . 4_454
H45 H13 3.1405 no . 4_454
H45 H16 3.1626 no . 4_454
H45 H33 3.5115 no . 4_554
H45 H34 3.2226 no . 4_554
H45 H40 3.4267 no . 2_645
H45 H41 2.5536 no . 2_645
H45 H42 3.5623 no . 2_645
H46 C31 3.2538 no . 3_666
H46 H16 2.9435 no . 4_454
H46 H29 3.1114 no . 3_666
H46 H30 3.2436 no . 3_666
H46 H31 2.8689 no . 3_666
H46 H41 3.2090 no . 2_645
H46 H42 3.2153 no . 2_645
H47 C31 3.5500 no . 3_666
H47 H23 3.4093 no . 4_554
H47 H24 3.1641 no . 4_554
H47 H29 3.3467 no . 3_666
H47 H31 2.9276 no . 3_666
H48 I1 2.9054 no . 2_745
H48 H42 3.2682 no . 4_564
H49 C39 2.9027 no . 2_645
H49 H41 2.2824 no . 2_645
H49 H42 2.7053 no . 2_645
_database_code_depnum_ccdc_archive 'CCDC 993080'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data__[Ag(L5Cl)]

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C47 H34 Ag3 Cl7 N6'
_chemical_formula_moiety         'C47 H34 Ag3 Cl7 N6'
_chemical_formula_weight         1254.60
_chemical_melting_point          ?
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_Int_Tables_number      33
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2+Z
3 1/2+X,1/2-Y,+Z
4 -X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   9.5441(15)
_cell_length_b                   20.286(4)
_cell_length_c                   24.142(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     4674.3(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12318
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    201
#------------------------------------------------------------------------------
_exptl_crystal_description       chip
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2472.00
_exptl_absorpt_coefficient_mu    1.682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.572
_exptl_absorpt_correction_T_max  0.919

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      201
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            37740
_diffrn_reflns_av_R_equivalents  0.0780
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using reflections with F² > 2.0 sigma(F²).
    The weighted     R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             8670
_reflns_number_gt                5024
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0530
_refine_ls_number_restraints     ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5024
_refine_ls_number_parameters     603
_refine_ls_goodness_of_fit_ref   0.567
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     'w = 1/σ²(Fo²)'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.290
_refine_diff_density_min         -1.120
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3170 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.06(3)

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.15297(8) 0.38933(4) 0.14850(5) 0.0324(3) Uani 1.0 4 d . . .
Ag2 Ag 0.23063(7) 0.35628(3) 0.28548(5) 0.0323(2) Uani 1.0 4 d . . .
Ag3 Ag 0.32283(8) 0.50938(3) 0.23121(5) 0.0342(3) Uani 1.0 4 d . . .
Cl1 Cl -0.0166(3) 0.11803(12) 0.18847(12) 0.0395(8) Uani 1.0 4 d . . .
Cl2 Cl 0.3596(3) 0.52854(15) 0.47388(11) 0.0508(10) Uani 1.0 4 d . . .
Cl3 Cl 0.3303(4) 0.60366(14) 0.00080(11) 0.0555(10) Uani 1.0 4 d . . .
Cl41 Cl -0.0231(4) 0.46557(16) 0.24972(12) 0.0702(12) Uani 1.0 4 d . . .
Cl42 Cl 0.0273(4) 0.60031(15) 0.28459(16) 0.0854(13) Uani 1.0 4 d . . .
Cl43 Cl 0.6892(5) 0.5152(3) 0.1470(3) 0.163(3) Uani 1.0 4 d . . .
Cl44 Cl 0.9604(5) 0.5655(3) 0.12512(17) 0.1128(18) Uani 1.0 4 d . . .
N11 N 0.0785(7) 0.3044(4) 0.1874(3) 0.027(3) Uani 1.0 4 d . . .
N12 N 0.1581(7) 0.2833(4) 0.2316(4) 0.027(3) Uani 1.0 4 d . . .
N21 N 0.2930(9) 0.4333(4) 0.3374(4) 0.034(3) Uani 1.0 4 d . . .
N22 N 0.3494(8) 0.4903(4) 0.3158(3) 0.025(3) Uani 1.0 4 d . . .
N31 N 0.2923(8) 0.5235(4) 0.1458(3) 0.028(3) Uani 1.0 4 d . . .
N32 N 0.2339(8) 0.4752(4) 0.1129(3) 0.027(3) Uani 1.0 4 d . . .
C130 C -0.0934(9) 0.2625(5) 0.1230(4) 0.025(3) Uani 1.0 4 d . . .
C131 C -0.1668(10) 0.3214(5) 0.1190(4) 0.038(4) Uani 1.0 4 d . . .
C132 C -0.2609(11) 0.3333(6) 0.0765(5) 0.044(4) Uani 1.0 4 d . . .
C133 C -0.2857(11) 0.2821(6) 0.0375(4) 0.042(4) Uani 1.0 4 d . . .
C134 C -0.2196(11) 0.2223(6) 0.0414(5) 0.045(4) Uani 1.0 4 d . . .
C135 C -0.1192(11) 0.2133(6) 0.0832(4) 0.041(4) Uani 1.0 4 d . . .
C140 C 0.0074(9) 0.2529(5) 0.1687(4) 0.022(3) Uani 1.0 4 d . . .
C150 C 0.0420(10) 0.1982(5) 0.1998(4) 0.024(3) Uani 1.0 4 d . . .
C160 C 0.1357(9) 0.2178(5) 0.2397(4) 0.026(3) Uani 1.0 4 d . . .
C170 C 0.2033(10) 0.1816(5) 0.2847(5) 0.033(3) Uani 1.0 4 d . . .
C171 C 0.3367(10) 0.1987(5) 0.3037(4) 0.032(3) Uani 1.0 4 d . . .
C172 C 0.4011(10) 0.1651(5) 0.3482(5) 0.040(4) Uani 1.0 4 d . . .
C173 C 0.3312(12) 0.1127(6) 0.3731(4) 0.045(4) Uani 1.0 4 d . . .
C174 C 0.1985(11) 0.0964(5) 0.3550(4) 0.045(4) Uani 1.0 4 d . . .
C175 C 0.1363(10) 0.1295(5) 0.3123(4) 0.034(3) Uani 1.0 4 d . . .
C230 C 0.2342(11) 0.3840(5) 0.4269(4) 0.035(4) Uani 1.0 4 d . . .
C231 C 0.2840(11) 0.3216(5) 0.4206(5) 0.045(4) Uani 1.0 4 d . . .
C232 C 0.2312(14) 0.2704(7) 0.4522(5) 0.069(5) Uani 1.0 4 d . . .
C233 C 0.1286(14) 0.2819(7) 0.4897(6) 0.072(6) Uani 1.0 4 d . . .
C234 C 0.0776(12) 0.3451(7) 0.4990(5) 0.061(5) Uani 1.0 4 d . . .
C235 C 0.1315(10) 0.3967(6) 0.4664(4) 0.037(4) Uani 1.0 4 d . . .
C240 C 0.2859(11) 0.4391(5) 0.3934(4) 0.032(4) Uani 1.0 4 d . . .
C250 C 0.3375(11) 0.5009(5) 0.4061(4) 0.032(3) Uani 1.0 4 d . . .
C260 C 0.3779(11) 0.5311(5) 0.3583(5) 0.037(4) Uani 1.0 4 d . . .
C270 C 0.4488(12) 0.5955(6) 0.3488(5) 0.043(4) Uani 1.0 4 d . . .
C271 C 0.5474(12) 0.6017(6) 0.3060(5) 0.054(5) Uani 1.0 4 d . . .
C272 C 0.6214(13) 0.6592(8) 0.2984(6) 0.083(6) Uani 1.0 4 d . . .
C273 C 0.5929(18) 0.7136(8) 0.3326(7) 0.097(7) Uani 1.0 4 d . . .
C274 C 0.4882(17) 0.7065(7) 0.3716(7) 0.091(7) Uani 1.0 4 d . . .
C275 C 0.4219(16) 0.6484(6) 0.3808(6) 0.083(6) Uani 1.0 4 d . . .
C330 C 0.3907(10) 0.6346(5) 0.1363(5) 0.035(4) Uani 1.0 4 d . . .
C331 C 0.3356(11) 0.6623(5) 0.1834(5) 0.048(4) Uani 1.0 4 d . . .
C332 C 0.3857(12) 0.7225(6) 0.2047(6) 0.062(5) Uani 1.0 4 d . . .
C333 C 0.4952(14) 0.7549(6) 0.1763(6) 0.067(5) Uani 1.0 4 d . . .
C334 C 0.5462(15) 0.7290(6) 0.1285(5) 0.066(5) Uani 1.0 4 d . . .
C335 C 0.4951(12) 0.6699(6) 0.1079(5) 0.052(5) Uani 1.0 4 d . . .
C340 C 0.3314(10) 0.5737(5) 0.1139(4) 0.027(3) Uani 1.0 4 d . . .
C350 C 0.3042(11) 0.5551(5) 0.0607(4) 0.037(4) Uani 1.0 4 d . . .
C360 C 0.2433(10) 0.4955(5) 0.0608(4) 0.032(4) Uani 1.0 4 d . . .
C370 C 0.1778(11) 0.4554(5) 0.0151(4) 0.033(3) Uani 1.0 4 d . . .
C371 C 0.0509(10) 0.4266(5) 0.0213(5) 0.038(4) Uani 1.0 4 d . . .
C372 C -0.0085(13) 0.3896(6) -0.0219(5) 0.053(4) Uani 1.0 4 d . . .
C373 C 0.0674(12) 0.3820(6) -0.0705(5) 0.052(4) Uani 1.0 4 d . . .
C374 C 0.1964(12) 0.4107(5) -0.0746(5) 0.045(4) Uani 1.0 4 d . . .
C375 C 0.2509(12) 0.4481(6) -0.0339(4) 0.041(4) Uani 1.0 4 d . . .
C410 C -0.0233(13) 0.5212(5) 0.3050(5) 0.070(5) Uani 1.0 4 d . . .
C420 C 0.7962(14) 0.5866(9) 0.1347(8) 0.170(10) Uani 1.0 4 d . . .
H1 H -0.1511 0.3536 0.1457 0.0452 Uiso 1.0 4 calc R . .
H2 H -0.3083 0.3733 0.0740 0.0528 Uiso 1.0 4 calc R . .
H3 H -0.3461 0.2894 0.0080 0.0505 Uiso 1.0 4 calc R . .
H4 H -0.2429 0.1883 0.0172 0.0539 Uiso 1.0 4 calc R . .
H5 H -0.0698 0.1739 0.0854 0.0492 Uiso 1.0 4 calc R . .
H6 H 0.3830 0.2335 0.2864 0.0385 Uiso 1.0 4 calc R . .
H7 H 0.4897 0.1774 0.3604 0.0477 Uiso 1.0 4 calc R . .
H8 H 0.3733 0.0890 0.4016 0.0544 Uiso 1.0 4 calc R . .
H9 H 0.1505 0.0627 0.3730 0.0534 Uiso 1.0 4 calc R . .
H10 H 0.0474 0.1170 0.3006 0.0403 Uiso 1.0 4 calc R . .
H11 H 0.3540 0.3144 0.3945 0.0536 Uiso 1.0 4 calc R . .
H12 H 0.2707 0.2286 0.4492 0.0827 Uiso 1.0 4 calc R . .
H13 H 0.0884 0.2466 0.5084 0.0865 Uiso 1.0 4 calc R . .
H14 H 0.0107 0.3529 0.5262 0.0728 Uiso 1.0 4 calc R . .
H15 H 0.0984 0.4394 0.4713 0.0446 Uiso 1.0 4 calc R . .
H16 H 0.5615 0.5669 0.2815 0.0653 Uiso 1.0 4 calc R . .
H17 H 0.6907 0.6626 0.2714 0.0994 Uiso 1.0 4 calc R . .
H18 H 0.6422 0.7529 0.3287 0.1158 Uiso 1.0 4 calc R . .
H19 H 0.4677 0.7420 0.3946 0.1096 Uiso 1.0 4 calc R . .
H20 H 0.3485 0.6465 0.4061 0.0993 Uiso 1.0 4 calc R . .
H21 H 0.2634 0.6398 0.2011 0.0581 Uiso 1.0 4 calc R . .
H22 H 0.3485 0.7406 0.2369 0.0747 Uiso 1.0 4 calc R . .
H23 H 0.5311 0.7945 0.1896 0.0799 Uiso 1.0 4 calc R . .
H24 H 0.6173 0.7513 0.1101 0.0789 Uiso 1.0 4 calc R . .
H25 H 0.5294 0.6521 0.0751 0.0628 Uiso 1.0 4 calc R . .
H26 H 0.0040 0.4322 0.0547 0.0459 Uiso 1.0 4 calc R . .
H27 H -0.0976 0.3715 -0.0187 0.0637 Uiso 1.0 4 calc R . .
H28 H 0.0320 0.3574 -0.0998 0.0624 Uiso 1.0 4 calc R . .
H29 H 0.2493 0.4048 -0.1066 0.0545 Uiso 1.0 4 calc R . .
H30 H 0.3381 0.4682 -0.0372 0.0486 Uiso 1.0 4 calc R . .
H31 H -0.1170 0.5246 0.3204 0.0844 Uiso 1.0 4 calc R . .
H32 H 0.0411 0.5068 0.3337 0.0845 Uiso 1.0 4 calc R . .
H33 H 0.7677 0.6073 0.1002 0.2045 Uiso 1.0 4 calc R . .
H34 H 0.7916 0.6188 0.1643 0.2045 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    SIR97
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 N11 2.088(8) yes . .
Ag1 N32 2.090(7) yes . .
Ag2 N12 2.089(8) yes . .
Ag2 N21 2.090(8) yes . .
Ag3 N22 2.093(8) yes . .
Ag3 N31 2.101(8) yes . .
Cl1 C150 1.742(9) yes . .
Cl2 C250 1.743(10) yes . .
Cl3 C350 1.768(11) yes . .
Cl41 C410 1.749(11) yes . .
Cl42 C410 1.747(11) yes . .
Cl43 C420 1.797(17) yes . .
Cl44 C420 1.641(14) yes . .
N11 N12 1.379(11) yes . .
N11 C140 1.325(12) yes . .
N12 C160 1.358(12) yes . .
N21 N22 1.378(11) yes . .
N21 C240 1.359(13) yes . .
N22 C260 1.347(13) yes . .
N31 N32 1.379(10) yes . .
N31 C340 1.329(12) yes . .
N32 C360 1.328(12) yes . .
C130 C131 1.389(13) yes . .
C130 C135 1.407(14) yes . .
C130 C140 1.476(12) yes . .
C131 C132 1.386(14) yes . .
C132 C133 1.420(16) yes . .
C133 C134 1.371(16) yes . .
C134 C135 1.403(15) yes . .
C140 C150 1.379(13) yes . .
C150 C160 1.375(13) yes . .
C160 C170 1.462(14) yes . .
C170 C171 1.397(13) yes . .
C170 C175 1.404(13) yes . .
C171 C172 1.415(14) yes . .
C172 C173 1.391(15) yes . .
C173 C174 1.380(15) yes . .
C174 C175 1.366(14) yes . .
C230 C231 1.361(15) yes . .
C230 C235 1.392(14) yes . .
C230 C240 1.464(14) yes . .
C231 C232 1.382(17) yes . .
C232 C233 1.354(18) yes . .
C233 C234 1.390(19) yes . .
C234 C235 1.407(16) yes . .
C240 C250 1.382(14) yes . .
C250 C260 1.361(14) yes . .
C260 C270 1.489(15) yes . .
C270 C271 1.404(16) yes . .
C270 C275 1.348(17) yes . .
C271 C272 1.376(18) yes . .
C272 C273 1.41(2) yes . .
C273 C274 1.38(3) yes . .
C274 C275 1.357(19) yes . .
C330 C331 1.373(15) yes . .
C330 C335 1.405(15) yes . .
C330 C340 1.464(14) yes . .
C331 C332 1.408(16) yes . .
C332 C333 1.413(18) yes . .
C333 C334 1.357(19) yes . .
C334 C335 1.387(18) yes . .
C340 C350 1.364(14) yes . .
C350 C360 1.340(15) yes . .
C360 C370 1.507(14) yes . .
C370 C371 1.352(14) yes . .
C370 C375 1.381(14) yes . .
C371 C372 1.404(16) yes . .
C372 C373 1.388(17) yes . .
C373 C374 1.365(16) yes . .
C374 C375 1.348(15) yes . .
C131 H1 0.930 no . .
C132 H2 0.930 no . .
C133 H3 0.930 no . .
C134 H4 0.930 no . .
C135 H5 0.930 no . .
C171 H6 0.930 no . .
C172 H7 0.930 no . .
C173 H8 0.930 no . .
C174 H9 0.930 no . .
C175 H10 0.930 no . .
C231 H11 0.930 no . .
C232 H12 0.930 no . .
C233 H13 0.930 no . .
C234 H14 0.930 no . .
C235 H15 0.930 no . .
C271 H16 0.930 no . .
C272 H17 0.930 no . .
C273 H18 0.930 no . .
C274 H19 0.930 no . .
C275 H20 0.930 no . .
C331 H21 0.930 no . .
C332 H22 0.930 no . .
C333 H23 0.930 no . .
C334 H24 0.930 no . .
C335 H25 0.930 no . .
C371 H26 0.930 no . .
C372 H27 0.930 no . .
C373 H28 0.930 no . .
C374 H29 0.930 no . .
C375 H30 0.930 no . .
C410 H31 0.970 no . .
C410 H32 0.970 no . .
C420 H33 0.970 no . .
C420 H34 0.970 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N11 Ag1 N32 177.2(3) yes . . .
N12 Ag2 N21 176.3(3) yes . . .
N22 Ag3 N31 177.0(3) yes . . .
Ag1 N11 N12 114.6(5) yes . . .
Ag1 N11 C140 132.2(6) yes . . .
N12 N11 C140 107.6(7) yes . . .
Ag2 N12 N11 116.4(6) yes . . .
Ag2 N12 C160 131.0(7) yes . . .
N11 N12 C160 109.1(7) yes . . .
Ag2 N21 N22 120.8(6) yes . . .
Ag2 N21 C240 130.3(7) yes . . .
N22 N21 C240 108.9(8) yes . . .
Ag3 N22 N21 118.5(6) yes . . .
Ag3 N22 C260 130.9(7) yes . . .
N21 N22 C260 107.8(8) yes . . .
Ag3 N31 N32 121.6(6) yes . . .
Ag3 N31 C340 129.3(6) yes . . .
N32 N31 C340 108.9(7) yes . . .
Ag1 N32 N31 120.4(6) yes . . .
Ag1 N32 C360 132.3(7) yes . . .
N31 N32 C360 107.3(7) yes . . .
C131 C130 C135 118.4(9) yes . . .
C131 C130 C140 119.6(9) yes . . .
C135 C130 C140 122.0(9) yes . . .
C130 C131 C132 121.9(9) yes . . .
C131 C132 C133 118.1(10) yes . . .
C132 C133 C134 121.7(10) yes . . .
C133 C134 C135 118.5(10) yes . . .
C130 C135 C134 121.2(10) yes . . .
N11 C140 C130 119.0(8) yes . . .
N11 C140 C150 109.0(8) yes . . .
C130 C140 C150 132.0(9) yes . . .
Cl1 C150 C140 126.1(7) yes . . .
Cl1 C150 C160 126.1(7) yes . . .
C140 C150 C160 107.8(8) yes . . .
N12 C160 C150 106.5(8) yes . . .
N12 C160 C170 121.9(8) yes . . .
C150 C160 C170 131.5(9) yes . . .
C160 C170 C171 121.3(9) yes . . .
C160 C170 C175 122.1(9) yes . . .
C171 C170 C175 116.6(9) yes . . .
C170 C171 C172 121.6(9) yes . . .
C171 C172 C173 119.3(9) yes . . .
C172 C173 C174 119.1(10) yes . . .
C173 C174 C175 121.3(10) yes . . .
C170 C175 C174 122.0(9) yes . . .
C231 C230 C235 119.6(10) yes . . .
C231 C230 C240 122.1(10) yes . . .
C235 C230 C240 118.3(9) yes . . .
C230 C231 C232 120.7(11) yes . . .
C231 C232 C233 120.2(12) yes . . .
C232 C233 C234 121.3(12) yes . . .
C233 C234 C235 117.9(11) yes . . .
C230 C235 C234 120.2(10) yes . . .
N21 C240 C230 120.0(9) yes . . .
N21 C240 C250 106.3(8) yes . . .
C230 C240 C250 133.7(9) yes . . .
Cl2 C250 C240 122.9(8) yes . . .
Cl2 C250 C260 128.1(8) yes . . .
C240 C250 C260 108.8(9) yes . . .
N22 C260 C250 108.2(9) yes . . .
N22 C260 C270 120.8(10) yes . . .
C250 C260 C270 130.9(10) yes . . .
C260 C270 C271 119.9(10) yes . . .
C260 C270 C275 121.5(11) yes . . .
C271 C270 C275 118.6(11) yes . . .
C270 C271 C272 121.2(11) yes . . .
C271 C272 C273 119.2(13) yes . . .
C272 C273 C274 117.4(14) yes . . .
C273 C274 C275 122.6(14) yes . . .
C270 C275 C274 120.6(14) yes . . .
C331 C330 C335 117.9(10) yes . . .
C331 C330 C340 120.2(9) yes . . .
C335 C330 C340 121.6(10) yes . . .
C330 C331 C332 121.8(10) yes . . .
C331 C332 C333 118.6(11) yes . . .
C332 C333 C334 119.8(12) yes . . .
C333 C334 C335 120.9(12) yes . . .
C330 C335 C334 120.9(11) yes . . .
N31 C340 C330 122.7(9) yes . . .
N31 C340 C350 106.3(8) yes . . .
C330 C340 C350 130.9(9) yes . . .
Cl3 C350 C340 126.1(8) yes . . .
Cl3 C350 C360 124.4(8) yes . . .
C340 C350 C360 109.3(9) yes . . .
N32 C360 C350 108.1(9) yes . . .
N32 C360 C370 119.8(9) yes . . .
C350 C360 C370 131.8(9) yes . . .
C360 C370 C371 121.6(9) yes . . .
C360 C370 C375 118.3(9) yes . . .
C371 C370 C375 120.1(10) yes . . .
C370 C371 C372 120.7(10) yes . . .
C371 C372 C373 118.4(11) yes . . .
C372 C373 C374 119.0(11) yes . . .
C373 C374 C375 122.3(11) yes . . .
C370 C375 C374 119.4(10) yes . . .
Cl41 C410 Cl42 112.1(6) yes . . .
Cl43 C420 Cl44 110.8(10) yes . . .
C130 C131 H1 118.370 no . . .
C132 C131 H1 119.764 no . . .
C131 C132 H2 121.017 no . . .
C133 C132 H2 120.852 no . . .
C132 C133 H3 119.698 no . . .
C134 C133 H3 118.550 no . . .
C133 C134 H4 120.285 no . . .
C135 C134 H4 121.162 no . . .
C130 C135 H5 118.864 no . . .
C134 C135 H5 119.911 no . . .
C170 C171 H6 118.350 no . . .
C172 C171 H6 120.040 no . . .
C171 C172 H7 120.320 no . . .
C173 C172 H7 120.380 no . . .
C172 C173 H8 120.438 no . . .
C174 C173 H8 120.443 no . . .
C173 C174 H9 118.771 no . . .
C175 C174 H9 119.905 no . . .
C170 C175 H10 118.346 no . . .
C174 C175 H10 119.601 no . . .
C230 C231 H11 118.124 no . . .
C232 C231 H11 121.217 no . . .
C231 C232 H12 119.548 no . . .
C233 C232 H12 120.125 no . . .
C232 C233 H13 119.406 no . . .
C234 C233 H13 119.185 no . . .
C233 C234 H14 120.731 no . . .
C235 C234 H14 121.382 no . . .
C230 C235 H15 119.954 no . . .
C234 C235 H15 119.819 no . . .
C270 C271 H16 119.790 no . . .
C272 C271 H16 118.941 no . . .
C271 C272 H17 121.360 no . . .
C273 C272 H17 119.431 no . . .
C272 C273 H18 121.034 no . . .
C274 C273 H18 121.570 no . . .
C273 C274 H19 118.619 no . . .
C275 C274 H19 118.520 no . . .
C270 C275 H20 119.170 no . . .
C274 C275 H20 119.668 no . . .
C330 C331 H21 117.579 no . . .
C332 C331 H21 120.668 no . . .
C331 C332 H22 121.203 no . . .
C333 C332 H22 120.233 no . . .
C332 C333 H23 120.518 no . . .
C334 C333 H23 119.645 no . . .
C333 C334 H24 118.683 no . . .
C335 C334 H24 120.379 no . . .
C330 C335 H25 117.897 no . . .
C334 C335 H25 121.206 no . . .
C370 C371 H26 118.302 no . . .
C372 C371 H26 121.006 no . . .
C371 C372 H27 121.365 no . . .
C373 C372 H27 120.168 no . . .
C372 C373 H28 120.947 no . . .
C374 C373 H28 120.006 no . . .
C373 C374 H29 119.716 no . . .
C375 C374 H29 117.965 no . . .
C370 C375 H30 118.726 no . . .
C374 C375 H30 121.886 no . . .
Cl41 C410 H31 109.778 no . . .
Cl41 C410 H32 110.412 no . . .
Cl42 C410 H31 107.330 no . . .
Cl42 C410 H32 107.674 no . . .
H31 C410 H32 109.446 no . . .
Cl43 C420 H33 109.308 no . . .
Cl43 C420 H34 113.244 no . . .
Cl44 C420 H33 105.130 no . . .
Cl44 C420 H34 108.837 no . . .
H33 C420 H34 109.193 no . . .

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
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ag1 N11 N12 Ag2 42.1(7) no . . . .
Ag1 N11 N12 C160 -156.6(4) no . . . .
Ag1 N11 C140 C130 -32.2(11) no . . . .
Ag1 N11 C140 C150 150.3(6) no . . . .
N12 N11 C140 C130 176.4(6) no . . . .
N12 N11 C140 C150 -1.0(9) no . . . .
C140 N11 N12 Ag2 -160.9(6) no . . . .
C140 N11 N12 C160 0.4(9) no . . . .
Ag2 N12 C160 C150 158.0(5) no . . . .
Ag2 N12 C160 C170 -20.9(12) no . . . .
N11 N12 C160 C150 0.4(9) no . . . .
N11 N12 C160 C170 -178.5(7) no . . . .
Ag2 N21 N22 Ag3 16.2(9) no . . . .
Ag2 N21 N22 C260 179.2(5) no . . . .
Ag2 N21 C240 C230 3.4(13) no . . . .
Ag2 N21 C240 C250 -178.1(5) no . . . .
N22 N21 C240 C230 -177.8(7) no . . . .
N22 N21 C240 C250 0.7(10) no . . . .
C240 N21 N22 Ag3 -162.7(6) no . . . .
C240 N21 N22 C260 0.3(9) no . . . .
Ag3 N22 C260 C250 158.9(6) no . . . .
Ag3 N22 C260 C270 -23.9(13) no . . . .
N21 N22 C260 C250 -1.2(10) no . . . .
N21 N22 C260 C270 176.0(7) no . . . .
Ag3 N31 N32 Ag1 6.7(9) no . . . .
Ag3 N31 N32 C360 -172.9(4) no . . . .
Ag3 N31 C340 C330 -8.3(13) no . . . .
Ag3 N31 C340 C350 171.7(5) no . . . .
N32 N31 C340 C330 176.7(7) no . . . .
N32 N31 C340 C350 -3.2(9) no . . . .
C340 N31 N32 Ag1 -177.9(6) no . . . .
C340 N31 N32 C360 2.5(9) no . . . .
Ag1 N32 C360 C350 179.8(5) no . . . .
Ag1 N32 C360 C370 5.2(13) no . . . .
N31 N32 C360 C350 -0.7(10) no . . . .
N31 N32 C360 C370 -175.3(7) no . . . .
C131 C130 C135 C134 -2.1(14) no . . . .
C135 C130 C131 C132 -1.7(14) no . . . .
C131 C130 C140 N11 -33.2(12) no . . . .
C131 C130 C140 C150 143.5(9) no . . . .
C140 C130 C131 C132 178.9(7) no . . . .
C135 C130 C140 N11 147.4(8) no . . . .
C135 C130 C140 C150 -35.9(14) no . . . .
C140 C130 C135 C134 177.4(8) no . . . .
C130 C131 C132 C133 2.6(14) no . . . .
C131 C132 C133 C134 0.2(14) no . . . .
C132 C133 C134 C135 -3.7(15) no . . . .
C133 C134 C135 C130 4.7(15) no . . . .
N11 C140 C150 Cl1 -176.1(7) no . . . .
N11 C140 C150 C160 1.3(10) no . . . .
C130 C140 C150 Cl1 6.9(15) no . . . .
C130 C140 C150 C160 -175.7(8) no . . . .
Cl1 C150 C160 N12 176.3(6) no . . . .
Cl1 C150 C160 C170 -4.9(15) no . . . .
C140 C150 C160 N12 -1.0(10) no . . . .
C140 C150 C160 C170 177.8(8) no . . . .
N12 C160 C170 C171 -32.0(13) no . . . .
N12 C160 C170 C175 145.8(8) no . . . .
C150 C160 C170 C171 149.4(10) no . . . .
C150 C160 C170 C175 -32.8(16) no . . . .
C160 C170 C171 C172 178.1(8) no . . . .
C160 C170 C175 C174 -178.8(8) no . . . .
C171 C170 C175 C174 -0.9(13) no . . . .
C175 C170 C171 C172 0.2(13) no . . . .
C170 C171 C172 C173 1.4(14) no . . . .
C171 C172 C173 C174 -2.5(14) no . . . .
C172 C173 C174 C175 1.9(15) no . . . .
C173 C174 C175 C170 -0.1(15) no . . . .
C231 C230 C235 C234 -1.2(14) no . . . .
C235 C230 C231 C232 1.6(15) no . . . .
C231 C230 C240 N21 49.9(14) no . . . .
C231 C230 C240 C250 -128.1(12) no . . . .
C240 C230 C231 C232 -178.9(9) no . . . .
C235 C230 C240 N21 -130.6(9) no . . . .
C235 C230 C240 C250 51.4(15) no . . . .
C240 C230 C235 C234 179.3(8) no . . . .
C230 C231 C232 C233 0.2(17) no . . . .
C231 C232 C233 C234 -2.5(19) no . . . .
C232 C233 C234 C235 2.8(18) no . . . .
C233 C234 C235 C230 -0.9(15) no . . . .
N21 C240 C250 Cl2 -175.7(7) no . . . .
N21 C240 C250 C260 -1.4(11) no . . . .
C230 C240 C250 Cl2 2.5(17) no . . . .
C230 C240 C250 C260 176.8(10) no . . . .
Cl2 C250 C260 N22 175.5(7) no . . . .
Cl2 C250 C260 C270 -1.3(16) no . . . .
C240 C250 C260 N22 1.7(11) no . . . .
C240 C250 C260 C270 -175.2(9) no . . . .
N22 C260 C270 C271 -32.8(14) no . . . .
N22 C260 C270 C275 148.0(9) no . . . .
C250 C260 C270 C271 143.7(11) no . . . .
C250 C260 C270 C275 -35.5(17) no . . . .
C260 C270 C271 C272 -175.7(9) no . . . .
C260 C270 C275 C274 179.6(10) no . . . .
C271 C270 C275 C274 0.4(19) no . . . .
C275 C270 C271 C272 3.6(17) no . . . .
C270 C271 C272 C273 -2.9(18) no . . . .
C271 C272 C273 C274 -2(2) no . . . .
C272 C273 C274 C275 6(3) no . . . .
C273 C274 C275 C270 -5(3) no . . . .
C331 C330 C335 C334 3.5(15) no . . . .
C335 C330 C331 C332 -3.2(15) no . . . .
C331 C330 C340 N31 -41.2(14) no . . . .
C331 C330 C340 C350 138.7(10) no . . . .
C340 C330 C331 C332 -177.0(8) no . . . .
C335 C330 C340 N31 145.2(10) no . . . .
C335 C330 C340 C350 -34.9(16) no . . . .
C340 C330 C335 C334 177.3(9) no . . . .
C330 C331 C332 C333 0.3(16) no . . . .
C331 C332 C333 C334 2.3(17) no . . . .
C332 C333 C334 C335 -2.0(19) no . . . .
C333 C334 C335 C330 -1.0(19) no . . . .
N31 C340 C350 Cl3 177.8(8) no . . . .
N31 C340 C350 C360 2.8(11) no . . . .
C330 C340 C350 Cl3 -2.1(17) no . . . .
C330 C340 C350 C360 -177.1(9) no . . . .
Cl3 C350 C360 N32 -176.5(7) no . . . .
Cl3 C350 C360 C370 -2.7(16) no . . . .
C340 C350 C360 N32 -1.3(12) no . . . .
C340 C350 C360 C370 172.4(9) no . . . .
N32 C360 C370 C371 40.8(13) no . . . .
N32 C360 C370 C375 -139.1(9) no . . . .
C350 C360 C370 C371 -132.4(11) no . . . .
C350 C360 C370 C375 47.7(15) no . . . .
C360 C370 C371 C372 179.7(8) no . . . .
C360 C370 C375 C374 177.9(8) no . . . .
C371 C370 C375 C374 -2.0(15) no . . . .
C375 C370 C371 C372 -0.4(15) no . . . .
C370 C371 C372 C373 1.5(15) no . . . .
C371 C372 C373 C374 -0.1(16) no . . . .
C372 C373 C374 C375 -2.4(16) no . . . .
C373 C374 C375 C370 3.5(16) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 Ag2 3.4547(18) no . .
Ag1 Ag3 3.5421(14) no . .
Ag1 C130 3.540(9) no . .
Ag1 C131 3.423(10) no . .
Ag1 C370 3.495(10) no . .
Ag1 C371 3.309(11) no . .
Ag2 Ag3 3.4838(12) no . .
Ag2 C170 3.554(9) no . .
Ag2 C171 3.381(9) no . .
Ag2 C230 3.459(10) no . .
Ag2 C231 3.376(11) no . .
Ag3 C270 3.542(11) no . .
Ag3 C271 3.370(12) no . .
Ag3 C330 3.482(10) no . .
Ag3 C331 3.312(11) no . .
Cl1 C130 3.409(10) no . .
Cl1 C135 3.340(11) no . .
Cl1 C170 3.386(11) no . .
Cl1 C175 3.336(10) no . .
Cl2 C230 3.365(11) no . .
Cl2 C235 3.453(11) no . .
Cl2 C270 3.419(11) no . .
Cl2 C275 3.363(14) no . .
Cl3 C330 3.382(11) no . .
Cl3 C335 3.311(12) no . .
Cl3 C370 3.360(11) no . .
Cl3 C375 3.351(11) no . .
N11 C131 2.885(12) no . .
N12 C130 3.581(12) no . .
N12 C171 2.978(12) no . .
N21 C231 3.031(13) no . .
N21 C235 3.554(12) no . .
N22 C271 2.955(14) no . .
N31 C331 2.987(13) no . .
N32 C371 2.986(13) no . .
N32 C375 3.590(13) no . .
C130 C133 2.789(13) no . .
C131 C134 2.795(15) no . .
C132 C135 2.790(16) no . .
C132 C372 3.570(16) no . .
C135 C150 3.222(14) no . .
C150 C175 3.185(13) no . .
C170 C173 2.828(15) no . .
C171 C174 2.755(14) no . .
C172 C175 2.767(13) no . .
C230 C233 2.758(16) no . .
C231 C234 2.773(16) no . .
C232 C235 2.754(17) no . .
C235 C250 3.234(14) no . .
C250 C275 3.157(16) no . .
C270 C273 2.791(19) no . .
C271 C274 2.713(18) no . .
C272 C275 2.76(2) no . .
C272 C332 3.438(18) no . .
C330 C333 2.806(16) no . .
C331 C334 2.762(17) no . .
C332 C335 2.773(17) no . .
C335 C350 3.170(16) no . .
C350 C375 3.190(15) no . .
C370 C373 2.756(15) no . .
C371 C374 2.720(15) no . .
C372 C375 2.761(16) no . .
Ag1 Cl1 3.301(3) no . 3_555
Ag1 Cl41 3.345(4) no . .
Ag1 C135 3.398(11) no . 3_555
Ag2 Cl1 3.402(3) no . 3_555
Ag2 Cl41 3.395(4) no . .
Ag2 C172 3.518(10) no . 3_455
Ag3 Cl1 3.177(3) no . 3_555
Ag3 Cl41 3.448(4) no . .
Cl1 Ag1 3.301(3) no . 3_455
Cl1 Ag2 3.402(3) no . 3_455
Cl1 Ag3 3.177(3) no . 3_455
Cl1 Cl43 3.488(6) no . 3_455
Cl1 N31 3.554(8) no . 3_455
Cl1 N32 3.546(8) no . 3_455
Cl3 C173 3.452(11) no . 2_554
Cl3 C174 3.533(11) no . 2_554
Cl41 Ag1 3.345(4) no . .
Cl41 Ag2 3.395(4) no . .
Cl41 Ag3 3.448(4) no . .
Cl43 Cl1 3.488(6) no . 3_555
Cl44 N31 3.318(9) no . 1_655
Cl44 N32 3.202(9) no . 1_655
Cl44 C234 3.563(13) no . 4_664
Cl44 C340 3.555(11) no . 1_655
Cl44 C360 3.422(11) no . 1_655
N12 C171 3.545(12) no . 3_455
N21 C175 3.567(12) no . 3_555
N21 C410 3.592(14) no . .
N31 Cl1 3.554(8) no . 3_555
N31 Cl44 3.318(9) no . 1_455
N32 Cl1 3.546(8) no . 3_555
N32 Cl44 3.202(9) no . 1_455
C131 C150 3.418(13) no . 3_455
C131 C160 3.561(14) no . 3_455
C132 C135 3.552(14) no . 3_455
C132 C140 3.592(14) no . 3_455
C132 C150 3.579(14) no . 3_455
C133 C135 3.370(14) no . 3_455
C135 Ag1 3.398(11) no . 3_455
C135 C132 3.552(14) no . 3_555
C135 C133 3.370(14) no . 3_555
C140 C132 3.592(14) no . 3_555
C150 C131 3.418(13) no . 3_555
C150 C132 3.579(14) no . 3_555
C160 C131 3.561(14) no . 3_555
C171 N12 3.545(12) no . 3_555
C172 Ag2 3.518(10) no . 3_555
C173 Cl3 3.452(11) no . 2_545
C173 C410 3.464(15) no . 3_555
C174 Cl3 3.533(11) no . 2_545
C175 N21 3.567(12) no . 3_455
C234 Cl44 3.563(13) no . 4_665
C335 C420 3.396(18) no . .
C340 Cl44 3.555(11) no . 1_455
C360 Cl44 3.422(11) no . 1_455
C410 N21 3.592(14) no . .
C410 C173 3.464(15) no . 3_455
C420 C335 3.396(18) no . .
Ag1 H1 2.9917 no . .
Ag1 H26 2.8113 no . .
Ag2 H6 2.8848 no . .
Ag2 H11 3.0061 no . .
Ag3 H16 2.8328 no . .
Ag3 H21 2.8018 no . .
Cl1 H5 2.7815 no . .
Cl1 H10 2.7743 no . .
Cl2 H15 3.0796 no . .
Cl2 H20 2.9003 no . .
Cl3 H25 2.7914 no . .
Cl3 H30 2.8977 no . .
N11 H1 2.6094 no . .
N12 H6 2.7153 no . .
N21 H11 2.8390 no . .
N22 H16 2.6831 no . .
N31 H21 2.7237 no . .
N32 H26 2.7473 no . .
C130 H2 3.2641 no . .
C130 H4 3.2893 no . .
C131 H3 3.2466 no . .
C131 H5 3.2368 no . .
C131 H26 3.1812 no . .
C131 H27 3.5388 no . .
C132 H4 3.2755 no . .
C132 H26 3.2701 no . .
C132 H27 2.8821 no . .
C133 H1 3.2520 no . .
C133 H5 3.2249 no . .
C133 H27 2.8896 no . .
C134 H2 3.2732 no . .
C134 H27 3.5527 no . .
C135 H1 3.2365 no . .
C135 H3 3.2205 no . .
C140 H1 2.6020 no . .
C140 H5 2.6751 no . .
C150 H5 3.0018 no . .
C150 H10 2.9390 no . .
C160 H6 2.6342 no . .
C160 H10 2.6554 no . .
C170 H7 3.2888 no . .
C170 H9 3.2573 no . .
C171 H8 3.2659 no . .
C171 H10 3.2215 no . .
C171 H11 3.2161 no . .
C172 H9 3.2233 no . .
C172 H11 3.2599 no . .
C172 H12 3.0244 no . .
C173 H6 3.2602 no . .
C173 H10 3.2268 no . .
C173 H12 3.0404 no . .
C174 H7 3.2317 no . .
C174 H12 3.5835 no . .
C175 H6 3.2225 no . .
C175 H8 3.2299 no . .
C230 H12 3.2162 no . .
C230 H14 3.2718 no . .
C231 H13 3.2084 no . .
C231 H15 3.2177 no . .
C232 H14 3.2292 no . .
C233 H11 3.2165 no . .
C233 H15 3.2389 no . .
C234 H12 3.2293 no . .
C235 H11 3.2110 no . .
C235 H13 3.2361 no . .
C240 H11 2.6112 no . .
C240 H15 2.5965 no . .
C250 H15 3.0405 no . .
C250 H20 2.9543 no . .
C260 H16 2.6541 no . .
C260 H20 2.6242 no . .
C270 H17 3.2666 no . .
C270 H19 3.1781 no . .
C271 H18 3.2446 no . .
C271 H20 3.2060 no . .
C272 H19 3.2214 no . .
C272 H22 3.4222 no . .
C273 H16 3.2353 no . .
C273 H20 3.2322 no . .
C273 H22 3.3287 no . .
C274 H17 3.2225 no . .
C274 H22 3.5827 no . .
C275 H16 3.2034 no . .
C275 H18 3.2401 no . .
C330 H22 3.2671 no . .
C330 H24 3.2685 no . .
C331 H23 3.2702 no . .
C331 H25 3.2104 no . .
C332 H17 3.5416 no . .
C332 H24 3.2323 no . .
C333 H17 3.5014 no . .
C333 H21 3.2717 no . .
C333 H25 3.2290 no . .
C334 H22 3.2334 no . .
C335 H21 3.2133 no . .
C335 H23 3.2238 no . .
C340 H21 2.5786 no . .
C340 H25 2.6424 no . .
C350 H25 2.9352 no . .
C350 H30 2.9661 no . .
C360 H26 2.6242 no . .
C360 H30 2.5941 no . .
C370 H27 3.2366 no . .
C370 H29 3.1868 no . .
C371 H28 3.2488 no . .
C371 H30 3.1971 no . .
C372 H29 3.2145 no . .
C373 H26 3.2468 no . .
C373 H30 3.2212 no . .
C374 H27 3.2140 no . .
C375 H26 3.1988 no . .
C375 H28 3.2073 no . .
H1 H2 2.3265 no . .
H1 H26 3.0920 no . .
H2 H3 2.3587 no . .
H2 H26 3.2447 no . .
H2 H27 3.0077 no . .
H3 H4 2.2865 no . .
H3 H27 2.9681 no . .
H4 H5 2.3493 no . .
H6 H7 2.3499 no . .
H6 H11 3.0957 no . .
H7 H8 2.3322 no . .
H7 H11 3.1751 no . .
H7 H12 3.1693 no . .
H8 H9 2.2991 no . .
H8 H12 3.2088 no . .
H9 H10 2.2890 no . .
H11 H12 2.3241 no . .
H12 H13 2.2820 no . .
H13 H14 2.3206 no . .
H14 H15 2.3537 no . .
H16 H17 2.3117 no . .
H17 H18 2.3418 no . .
H18 H19 2.3136 no . .
H18 H22 3.5817 no . .
H19 H20 2.2650 no . .
H21 H22 2.3637 no . .
H22 H23 2.3532 no . .
H23 H24 2.2636 no . .
H24 H25 2.3392 no . .
H26 H27 2.3676 no . .
H27 H28 2.3336 no . .
H28 H29 2.2914 no . .
H29 H30 2.2755 no . .
Ag1 H5 3.3119 no . 3_555
Ag2 H7 3.0037 no . 3_455
Ag2 H10 3.0929 no . 3_555
Cl1 H2 3.4103 no . 3_555
Cl2 H2 3.1695 no . 4_565
Cl2 H27 3.2245 no . 4_565
Cl2 H30 2.8990 no . 4_665
Cl3 H8 3.0984 no . 2_554
Cl3 H9 3.2008 no . 2_554
Cl3 H12 2.9852 no . 2_554
Cl3 H13 3.0067 no . 2_554
Cl3 H14 3.4275 no . 4_564
Cl41 H1 3.5993 no . .
Cl42 H17 3.4662 no . 1_455
Cl42 H18 3.3476 no . 3_465
Cl42 H21 3.1280 no . .
Cl42 H23 3.1335 no . 3_465
Cl42 H28 2.9744 no . 4_565
Cl43 H2 3.3778 no . 1_655
Cl44 H14 2.9192 no . 4_664
Cl44 H23 3.3093 no . 3_565
Cl44 H26 3.2192 no . 1_655
N11 H6 3.1280 no . 3_455
N12 H6 2.9594 no . 3_455
N12 H7 3.5887 no . 3_455
N21 H9 3.5187 no . 3_555
N21 H10 2.7797 no . 3_555
N21 H32 2.8305 no . .
N22 H9 3.3642 no . 3_555
N22 H10 2.9060 no . 3_555
N22 H32 2.9936 no . .
C132 H5 2.9596 no . 3_455
C133 H5 3.0797 no . 3_455
C133 H20 3.5393 no . 4_564
C135 H2 3.4552 no . 3_555
C135 H3 3.1773 no . 3_555
C140 H6 3.0932 no . 3_455
C150 H1 3.3751 no . 3_555
C150 H6 2.9321 no . 3_455
C160 H1 3.3752 no . 3_555
C160 H6 2.8397 no . 3_455
C170 H6 3.5100 no . 3_455
C173 H31 3.1000 no . 3_555
C173 H32 3.2836 no . 3_555
C174 H31 3.1332 no . 3_555
C175 H11 3.5344 no . 3_455
C230 H7 3.0930 no . 3_455
C230 H8 3.5403 no . 3_455
C231 H7 3.1625 no . 3_455
C232 H7 3.3683 no . 3_455
C233 H7 3.4909 no . 3_455
C233 H12 3.5594 no . 3_455
C234 H7 3.4804 no . 3_455
C234 H8 3.3343 no . 3_455
C234 H12 3.5020 no . 3_455
C234 H33 3.0143 no . 4_665
C235 H7 3.2623 no . 3_455
C235 H8 2.9337 no . 3_455
C235 H33 3.3721 no . 4_665
C240 H9 3.5139 no . 3_555
C240 H10 3.5420 no . 3_555
C240 H32 3.0706 no . .
C250 H9 3.3506 no . 3_555
C250 H30 3.4430 no . 4_665
C250 H32 3.3274 no . .
C260 H9 3.2421 no . 3_555
C260 H32 3.3068 no . .
C270 H29 3.0763 no . 4_665
C271 H29 2.8703 no . 4_665
C271 H31 3.5813 no . 1_655
C272 H22 3.3215 no . 3_565
C272 H29 2.9110 no . 4_665
C273 H22 3.4863 no . 3_565
C273 H28 3.5491 no . 2_555
C273 H29 3.1922 no . 4_665
C274 H3 3.5606 no . 4_565
C274 H18 3.5581 no . 3_465
C274 H28 3.1431 no . 2_555
C274 H29 3.4138 no . 4_665
C275 H3 3.3966 no . 4_565
C275 H18 3.5668 no . 3_465
C275 H29 3.3328 no . 4_665
C330 H24 3.5441 no . 3_465
C331 H23 3.0390 no . 3_465
C331 H24 3.2471 no . 3_465
C332 H17 3.3907 no . 3_465
C332 H23 3.4211 no . 3_465
C332 H24 3.4728 no . 3_465
C332 H34 3.4822 no . 3_465
C333 H21 3.3872 no . 3_565
C333 H34 3.2284 no . 3_465
C334 H13 3.1917 no . 2_554
C334 H14 3.5649 no . 2_554
C334 H33 3.3218 no . .
C334 H34 3.3515 no . .
C335 H13 2.9704 no . 2_554
C335 H33 2.9007 no . .
C335 H34 3.3074 no . .
C370 H4 3.0111 no . 3_555
C370 H15 3.5535 no . 4_564
C371 H4 3.0524 no . 3_555
C371 H15 3.2974 no . 4_564
C372 H4 3.1331 no . 3_555
C372 H15 3.5768 no . 4_564
C373 H4 3.1294 no . 3_555
C373 H19 2.9807 no . 2_544
C373 H31 3.2805 no . 4_564
C373 H32 3.3943 no . 4_564
C374 H4 3.0464 no . 3_555
C374 H31 2.9543 no . 4_564
C374 H32 3.5841 no . 4_564
C375 H4 3.0307 no . 3_555
C375 H8 3.4640 no . 2_554
C375 H9 3.3681 no . 2_554
C410 H8 3.3775 no . 3_455
C410 H28 3.3691 no . 4_565
C410 H29 3.3844 no . 4_565
C420 H14 3.4289 no . 4_664
C420 H23 3.5498 no . 3_565
C420 H25 3.2122 no . .
H1 Cl41 3.5993 no . .
H1 C150 3.3751 no . 3_455
H1 C160 3.3752 no . 3_455
H2 Cl1 3.4103 no . 3_455
H2 Cl2 3.1695 no . 4_564
H2 Cl43 3.3778 no . 1_455
H2 C135 3.4552 no . 3_455
H2 H5 2.6869 no . 3_455
H3 C135 3.1773 no . 3_455
H3 C274 3.5606 no . 4_564
H3 C275 3.3966 no . 4_564
H3 H5 2.9337 no . 3_455
H3 H19 3.0398 no . 4_564
H3 H20 2.7818 no . 4_564
H4 C370 3.0111 no . 3_455
H4 C371 3.0524 no . 3_455
H4 C372 3.1331 no . 3_455
H4 C373 3.1294 no . 3_455
H4 C374 3.0464 no . 3_455
H4 C375 3.0307 no . 3_455
H4 H26 3.5545 no . 3_455
H4 H29 3.5369 no . 3_455
H4 H30 3.5224 no . 3_455
H5 Ag1 3.3119 no . 3_455
H5 C132 2.9596 no . 3_555
H5 C133 3.0797 no . 3_555
H5 H2 2.6869 no . 3_555
H5 H3 2.9337 no . 3_555
H6 N11 3.1280 no . 3_555
H6 N12 2.9594 no . 3_555
H6 C140 3.0932 no . 3_555
H6 C150 2.9321 no . 3_555
H6 C160 2.8397 no . 3_555
H6 C170 3.5100 no . 3_555
H6 H10 3.4322 no . 3_555
H7 Ag2 3.0037 no . 3_555
H7 N12 3.5887 no . 3_555
H7 C230 3.0930 no . 3_555
H7 C231 3.1625 no . 3_555
H7 C232 3.3683 no . 3_555
H7 C233 3.4909 no . 3_555
H7 C234 3.4804 no . 3_555
H7 C235 3.2623 no . 3_555
H7 H11 3.5770 no . 3_555
H8 Cl3 3.0984 no . 2_545
H8 C230 3.5403 no . 3_555
H8 C234 3.3343 no . 3_555
H8 C235 2.9337 no . 3_555
H8 C375 3.4640 no . 2_545
H8 C410 3.3775 no . 3_555
H8 H14 3.4871 no . 3_555
H8 H15 2.7901 no . 3_555
H8 H30 3.5006 no . 2_545
H8 H31 3.0271 no . 3_555
H8 H32 3.0049 no . 3_555
H9 Cl3 3.2008 no . 2_545
H9 N21 3.5187 no . 3_455
H9 N22 3.3642 no . 3_455
H9 C240 3.5139 no . 3_455
H9 C250 3.3506 no . 3_455
H9 C260 3.2421 no . 3_455
H9 C375 3.3681 no . 2_545
H9 H16 3.5380 no . 3_455
H9 H29 3.3793 no . 2_545
H9 H30 2.8951 no . 2_545
H9 H31 3.1101 no . 3_555
H10 Ag2 3.0929 no . 3_455
H10 N21 2.7797 no . 3_455
H10 N22 2.9060 no . 3_455
H10 C240 3.5420 no . 3_455
H10 H6 3.4322 no . 3_455
H10 H11 3.2380 no . 3_455
H11 C175 3.5344 no . 3_555
H11 H7 3.5770 no . 3_455
H11 H10 3.2380 no . 3_555
H12 Cl3 2.9852 no . 2_545
H12 C233 3.5594 no . 3_555
H12 C234 3.5020 no . 3_555
H12 H13 3.3895 no . 3_555
H12 H14 3.3821 no . 3_555
H13 Cl3 3.0067 no . 2_545
H13 C334 3.1917 no . 2_545
H13 C335 2.9704 no . 2_545
H13 H12 3.3895 no . 3_455
H13 H24 3.1450 no . 2_545
H13 H25 2.7437 no . 2_545
H14 Cl3 3.4275 no . 4_565
H14 Cl44 2.9192 no . 4_665
H14 C334 3.5649 no . 2_545
H14 C420 3.4289 no . 4_665
H14 H8 3.4871 no . 3_455
H14 H12 3.3821 no . 3_455
H14 H24 3.1360 no . 2_545
H14 H33 2.8848 no . 4_665
H15 C370 3.5535 no . 4_565
H15 C371 3.2974 no . 4_565
H15 C372 3.5768 no . 4_565
H15 H8 2.7901 no . 3_455
H15 H26 3.4336 no . 4_565
H15 H33 3.4949 no . 4_665
H16 H9 3.5380 no . 3_555
H16 H29 3.3004 no . 4_665
H16 H31 3.3219 no . 1_655
H17 Cl42 3.4662 no . 1_655
H17 C332 3.3907 no . 3_565
H17 H22 2.6122 no . 3_565
H17 H29 3.2969 no . 4_665
H17 H31 3.5503 no . 1_655
H17 H34 2.8983 no . .
H18 Cl42 3.3476 no . 3_565
H18 C274 3.5581 no . 3_565
H18 C275 3.5668 no . 3_565
H18 H19 3.4926 no . 3_565
H18 H20 3.3969 no . 3_565
H18 H22 2.9681 no . 3_565
H18 H28 3.1999 no . 2_555
H19 C373 2.9807 no . 2_555
H19 H3 3.0398 no . 4_565
H19 H18 3.4926 no . 3_465
H19 H27 3.5790 no . 2_555
H19 H28 2.3441 no . 2_555
H20 C133 3.5393 no . 4_565
H20 H3 2.7818 no . 4_565
H20 H18 3.3969 no . 3_465
H20 H27 3.0264 no . 4_565
H21 Cl42 3.1280 no . .
H21 C333 3.3872 no . 3_465
H21 H23 2.6018 no . 3_465
H21 H24 3.4126 no . 3_465
H22 C272 3.3215 no . 3_465
H22 C273 3.4863 no . 3_465
H22 H17 2.6122 no . 3_465
H22 H18 2.9681 no . 3_465
H22 H23 3.3148 no . 3_465
H22 H34 3.3911 no . 3_465
H23 Cl42 3.1335 no . 3_565
H23 Cl44 3.3093 no . 3_465
H23 C331 3.0390 no . 3_565
H23 C332 3.4211 no . 3_565
H23 C420 3.5498 no . 3_465
H23 H21 2.6018 no . 3_565
H23 H22 3.3148 no . 3_565
H23 H34 2.9477 no . 3_465
H24 C330 3.5441 no . 3_565
H24 C331 3.2471 no . 3_565
H24 C332 3.4728 no . 3_565
H24 H13 3.1450 no . 2_554
H24 H14 3.1360 no . 2_554
H24 H21 3.4126 no . 3_565
H24 H33 3.2643 no . .
H24 H34 3.4217 no . .
H25 C420 3.2122 no . .
H25 H13 2.7437 no . 2_554
H25 H33 2.5231 no . .
H25 H34 3.3706 no . .
H26 Cl44 3.2192 no . 1_455
H26 H4 3.5545 no . 3_555
H26 H15 3.4336 no . 4_564
H27 Cl2 3.2245 no . 4_564
H27 H19 3.5790 no . 2_544
H27 H20 3.0264 no . 4_564
H28 Cl42 2.9744 no . 4_564
H28 C273 3.5491 no . 2_544
H28 C274 3.1431 no . 2_544
H28 C410 3.3691 no . 4_564
H28 H18 3.1999 no . 2_544
H28 H19 2.3441 no . 2_544
H28 H31 3.1788 no . 4_564
H28 H32 3.2651 no . 4_564
H29 C270 3.0763 no . 4_664
H29 C271 2.8703 no . 4_664
H29 C272 2.9110 no . 4_664
H29 C273 3.1922 no . 4_664
H29 C274 3.4138 no . 4_664
H29 C275 3.3328 no . 4_664
H29 C410 3.3844 no . 4_564
H29 H4 3.5369 no . 3_555
H29 H9 3.3793 no . 2_554
H29 H16 3.3004 no . 4_664
H29 H17 3.2969 no . 4_664
H29 H31 2.5989 no . 4_564
H30 Cl2 2.8990 no . 4_664
H30 C250 3.4430 no . 4_664
H30 H4 3.5224 no . 3_555
H30 H8 3.5006 no . 2_554
H30 H9 2.8951 no . 2_554
H31 C173 3.1000 no . 3_455
H31 C174 3.1332 no . 3_455
H31 C271 3.5813 no . 1_455
H31 C373 3.2805 no . 4_565
H31 C374 2.9543 no . 4_565
H31 H8 3.0271 no . 3_455
H31 H9 3.1101 no . 3_455
H31 H16 3.3219 no . 1_455
H31 H17 3.5503 no . 1_455
H31 H28 3.1788 no . 4_565
H31 H29 2.5989 no . 4_565
H32 N21 2.8305 no . .
H32 N22 2.9936 no . .
H32 C173 3.2836 no . 3_455
H32 C240 3.0706 no . .
H32 C250 3.3274 no . .
H32 C260 3.3068 no . .
H32 C373 3.3943 no . 4_565
H32 C374 3.5841 no . 4_565
H32 H8 3.0049 no . 3_455
H32 H28 3.2651 no . 4_565
H33 C234 3.0143 no . 4_664
H33 C235 3.3721 no . 4_664
H33 C334 3.3218 no . .
H33 C335 2.9007 no . .
H33 H14 2.8848 no . 4_664
H33 H15 3.4949 no . 4_664
H33 H24 3.2643 no . .
H33 H25 2.5231 no . .
H34 C332 3.4822 no . 3_565
H34 C333 3.2284 no . 3_565
H34 C334 3.3515 no . .
H34 C335 3.3074 no . .
H34 H17 2.8983 no . .
H34 H22 3.3911 no . 3_565
H34 H23 2.9477 no . 3_565
H34 H24 3.4217 no . .
H34 H25 3.3706 no . .
_database_code_depnum_ccdc_archive 'CCDC 993082'
