 
data_shelx
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum            'C34 H53 Ag7 F6 N4 O4 S5' 
_chemical_formula_weight          1611.19

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ag'  'Ag'  -0.8971   1.1015
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S'  'S'   0.1246   0.1234
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            15
_space_group_name_H-M_alt         'C 2/c'
_space_group_name_Hall            '-C 2yc'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a                    23.0645(19)
_cell_length_b                    14.5322(12)
_cell_length_c                    30.379(3)
_cell_angle_alpha                 90
_cell_angle_beta                  102.842(3)
_cell_angle_gamma                 90
_cell_volume                      9927.6(14)
_cell_formula_units_Z             8
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     12396
_cell_measurement_theta_min       1.375
_cell_measurement_theta_max       28.417
 
_exptl_crystal_description        petal
_exptl_crystal_colour             yellow
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     2.156          
_exptl_crystal_F_000              6240
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.085
_exptl_crystal_size_mid           0.057
_exptl_crystal_size_min           0.035
_exptl_absorpt_coefficient_mu     2.975
_shelx_estimated_absorpt_T_min    0.786
_shelx_estimated_absorpt_T_max    0.903
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       150(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             87500
_diffrn_reflns_av_unetI/netI      0.1075
_diffrn_reflns_av_R_equivalents   0.1488
_diffrn_reflns_limit_h_min        -30
_diffrn_reflns_limit_h_max        30
_diffrn_reflns_limit_k_min        -19
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_l_min        -40
_diffrn_reflns_limit_l_max        40
_diffrn_reflns_theta_min          1.375
_diffrn_reflns_theta_max          28.417
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.993
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.993
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   0.993
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              12396
_reflns_number_gt                 7059
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        'Bruker SAINT'
_computing_cell_refinement        'Bruker SAINT'
_computing_data_reduction         'Bruker APEX2'
_computing_structure_solution     'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     'Mercury (Macrae et al., 2008)'
_computing_publication_material   'WINGX (Farrugia, 2014) and PLATON(Spek, 2009)'
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0582P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          12396
_refine_ls_number_parameters      556
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1196
_refine_ls_R_factor_gt            0.0544
_refine_ls_wR_factor_ref          0.1437
_refine_ls_wR_factor_gt           0.1139
_refine_ls_goodness_of_fit_ref    1.005
_refine_ls_restrained_S_all       1.005
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
 
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_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Ag1 Ag 0.26206(3) 0.10526(4) 0.61680(2) 0.02509(15) Uani 1 1 d . . . . .
Ag3 Ag 0.38723(3) 0.16824(4) 0.65780(2) 0.03032(17) Uani 1 1 d . . . . .
Ag2 Ag 0.21991(3) 0.25060(4) 0.54979(2) 0.02784(16) Uani 1 1 d . . . . .
Ag4 Ag 0.18920(3) 0.10530(4) 0.44601(2) 0.03133(17) Uani 1 1 d . . . . .
Ag5 Ag 0.22392(3) -0.00269(5) 0.52939(2) 0.03141(17) Uani 1 1 d . . . . .
Ag6 Ag 0.66493(3) 0.93283(5) 0.83554(2) 0.03490(18) Uani 1 1 d . . . . .
Ag7 Ag 0.35053(3) 0.08060(6) 0.54835(2) 0.0425(2) Uani 1 1 d . . . . .
S1 S 0.28784(9) 0.26567(14) 0.62364(7) 0.0248(5) Uani 1 1 d . . . . .
S2 S 0.39736(9) 0.01939(14) 0.62135(7) 0.0255(5) Uani 1 1 d . . . . .
S3 S 0.15142(9) 0.24457(14) 0.47837(7) 0.0266(5) Uani 1 1 d . . . . .
S5 S 0.28923(9) 0.02641(14) 0.47506(7) 0.0269(5) Uani 1 1 d . . . . .
S4 S 0.23588(9) -0.05364(14) 0.60762(7) 0.0244(4) Uani 1 1 d . . . . .
N1 N 0.4582(3) 0.2830(5) 0.6733(2) 0.0261(16) Uani 1 1 d . . . . .
N2 N 0.6407(3) 0.8010(4) 0.7936(2) 0.0270(16) Uani 1 1 d . . . . .
N3 N 0.5704(3) 0.5010(5) 0.7307(2) 0.0310(17) Uani 1 1 d . . . . .
N4 N 0.5496(3) 0.5777(5) 0.7215(3) 0.0381(19) Uani 1 1 d . . . . .
F6 F 0.7189(3) 1.1268(4) 0.7088(2) 0.0635(18) Uani 1 1 d . . . . .
F5 F 0.6307(3) 1.1775(4) 0.6818(2) 0.075(2) Uani 1 1 d . . . . .
F4 F 0.6510(2) 1.0373(4) 0.67481(18) 0.0470(14) Uani 1 1 d . . . . .
F2 F 0.0964(5) -0.1903(7) 0.3950(4) 0.183(6) Uani 1 1 d . . . . .
C22 C 0.0728(5) -0.1444(8) 0.4228(4) 0.056(3) Uani 1 1 d . . . . .
O4 O 0.6156(3) 1.1450(4) 0.76311(19) 0.0378(16) Uani 1 1 d . . . . .
O2 O 0.1222(3) -0.0076(4) 0.4154(2) 0.0378(16) Uani 1 1 d . . . . .
C29 C 0.5122(4) 0.2703(6) 0.7006(3) 0.029(2) Uani 1 1 d . . . . .
H29 H 0.524500 0.210449 0.708458 0.034 Uiso 1 1 calc R U . . .
O3 O 0.6658(3) 1.0124(4) 0.7647(2) 0.0498(18) Uani 1 1 d . . . . .
C27 C 0.5315(3) 0.4287(6) 0.7073(3) 0.0253(18) Uani 1 1 d . . . . .
C5 C 0.4762(4) -0.0143(6) 0.6315(3) 0.030(2) Uani 1 1 d . . . . .
O1 O 0.1339(3) -0.0698(4) 0.4846(2) 0.0424(16) Uani 1 1 d . . . . .
C26 C 0.4771(4) 0.4450(5) 0.6786(3) 0.029(2) Uani 1 1 d . . . . .
H26 H 0.464319 0.504549 0.670430 0.035 Uiso 1 1 calc R U . . .
C28 C 0.5495(4) 0.3403(6) 0.7172(3) 0.0266(19) Uani 1 1 d . . . . .
H28 H 0.586945 0.328168 0.735175 0.032 Uiso 1 1 calc R U . . .
C9 C 0.0773(4) 0.2228(6) 0.4908(3) 0.0278(19) Uani 1 1 d . . . . .
C25 C 0.4424(4) 0.3703(6) 0.6625(3) 0.032(2) Uani 1 1 d . . . . .
H25 H 0.405857 0.380802 0.642953 0.038 Uiso 1 1 calc R U . . .
C8 C 0.5015(4) -0.0151(7) 0.6828(3) 0.044(3) Uani 1 1 d . . . . .
H8A H 0.494801 0.043753 0.695227 0.066 Uiso 1 1 calc R U . . .
H8B H 0.543379 -0.027397 0.688883 0.066 Uiso 1 1 calc R U . . .
H8C H 0.481961 -0.062040 0.696446 0.066 Uiso 1 1 calc R U . . .
C30 C 0.5857(4) 0.6505(6) 0.7467(3) 0.029(2) Uani 1 1 d . . . . .
C32 C 0.6022(4) 0.8097(6) 0.7546(3) 0.044(3) Uani 1 1 d . . . . .
H32 H 0.593835 0.868682 0.743060 0.052 Uiso 1 1 calc R U . . .
C33 C 0.6523(4) 0.7159(6) 0.8093(3) 0.035(2) Uani 1 1 d . . . . .
H33 H 0.679613 0.707807 0.836526 0.042 Uiso 1 1 calc R U . . .
C10 C 0.0568(4) 0.3100(6) 0.5109(3) 0.043(2) Uani 1 1 d . . . . .
H10A H 0.082540 0.322051 0.539807 0.064 Uiso 1 1 calc R U . . .
H10B H 0.016810 0.301784 0.514517 0.064 Uiso 1 1 calc R U . . .
H10C H 0.058129 0.361048 0.491096 0.064 Uiso 1 1 calc R U . . .
C13 C 0.1694(3) -0.0716(6) 0.6318(3) 0.0251(18) Uani 1 1 d . . . . .
C31 C 0.5738(4) 0.7371(6) 0.7300(3) 0.044(3) Uani 1 1 d . . . . .
H31 H 0.547018 0.746735 0.702609 0.053 Uiso 1 1 calc R U . . .
C23 C 0.6454(4) 1.0859(6) 0.7488(3) 0.0286(19) Uani 1 1 d . . . . .
C34 C 0.6252(4) 0.6386(6) 0.7866(3) 0.038(2) Uani 1 1 d . . . . .
H34 H 0.633981 0.580038 0.798542 0.046 Uiso 1 1 calc R U . . .
C11 C 0.0345(4) 0.1991(7) 0.4466(3) 0.047(3) Uani 1 1 d . . . . .
H11A H 0.033538 0.248595 0.425531 0.070 Uiso 1 1 calc R U . . .
H11B H -0.004632 0.190089 0.451974 0.070 Uiso 1 1 calc R U . . .
H11C H 0.047342 0.143756 0.434448 0.070 Uiso 1 1 calc R U . . .
C1 C 0.2461(4) 0.3183(6) 0.6633(3) 0.0283(19) Uani 1 1 d . . . . .
C24 C 0.6616(4) 1.1084(6) 0.7037(3) 0.038(2) Uani 1 1 d . . . . .
C4 C 0.1810(4) 0.3341(7) 0.6391(3) 0.044(3) Uani 1 1 d . . . . .
H4A H 0.179457 0.374219 0.613768 0.066 Uiso 1 1 calc R U . . .
H4B H 0.159943 0.361637 0.659649 0.066 Uiso 1 1 calc R U . . .
H4C H 0.162971 0.276193 0.628738 0.066 Uiso 1 1 calc R U . . .
C12 C 0.0815(4) 0.1445(6) 0.5246(3) 0.043(2) Uani 1 1 d . . . . .
H12A H 0.100014 0.092243 0.514082 0.064 Uiso 1 1 calc R U . . .
H12B H 0.042286 0.128022 0.527664 0.064 Uiso 1 1 calc R U . . .
H12C H 0.104792 0.163870 0.553313 0.064 Uiso 1 1 calc R U . . .
F3 F 0.0210(4) -0.1147(6) 0.4005(3) 0.129(4) Uani 1 1 d . . . . .
C6 C 0.5097(4) 0.0558(7) 0.6099(3) 0.052(3) Uani 1 1 d . . . . .
H6A H 0.496736 0.052308 0.577657 0.078 Uiso 1 1 calc R U . . .
H6B H 0.551558 0.043233 0.618488 0.078 Uiso 1 1 calc R U . . .
H6C H 0.502048 0.116395 0.619877 0.078 Uiso 1 1 calc R U . . .
C3 C 0.2496(5) 0.2567(7) 0.7037(3) 0.053(3) Uani 1 1 d . . . . .
H3A H 0.228762 0.200345 0.694416 0.079 Uiso 1 1 calc R U . . .
H3B H 0.231837 0.287119 0.725508 0.079 Uiso 1 1 calc R U . . .
H3C H 0.290530 0.243351 0.717054 0.079 Uiso 1 1 calc R U . . .
C7 C 0.4795(5) -0.1089(7) 0.6122(4) 0.068(4) Uani 1 1 d . . . . .
H7A H 0.460892 -0.152330 0.628514 0.102 Uiso 1 1 calc R U . . .
H7B H 0.520395 -0.125676 0.614883 0.102 Uiso 1 1 calc R U . . .
H7C H 0.459328 -0.109149 0.580974 0.102 Uiso 1 1 calc R U . . .
C17 C 0.3066(4) -0.0944(6) 0.4597(3) 0.037(2) Uani 1 1 d . . . . .
C2 C 0.2764(4) 0.4083(7) 0.6779(4) 0.052(3) Uani 1 1 d . . . . .
H2A H 0.317681 0.397409 0.691035 0.078 Uiso 1 1 calc R U . . .
H2B H 0.257999 0.436992 0.699743 0.078 Uiso 1 1 calc R U . . .
H2C H 0.272954 0.447921 0.652136 0.078 Uiso 1 1 calc R U . . .
C15 C 0.1914(5) -0.0947(9) 0.6808(4) 0.068(4) Uani 1 1 d . . . . .
H15A H 0.212476 -0.152124 0.683548 0.102 Uiso 1 1 calc R U . . .
H15B H 0.158299 -0.099629 0.694998 0.102 Uiso 1 1 calc R U . . .
H15C H 0.217702 -0.046971 0.695280 0.102 Uiso 1 1 calc R U . . .
C14 C 0.1308(5) 0.0108(8) 0.6267(5) 0.082(5) Uani 1 1 d . . . . .
H14A H 0.151715 0.060447 0.644215 0.123 Uiso 1 1 calc R U . . .
H14B H 0.095368 -0.002872 0.637107 0.123 Uiso 1 1 calc R U . . .
H14C H 0.120263 0.028379 0.595484 0.123 Uiso 1 1 calc R U . . .
C20 C 0.3111(6) -0.1567(7) 0.5007(4) 0.082(4) Uani 1 1 d . . . . .
H20A H 0.339205 -0.131375 0.525904 0.122 Uiso 1 1 calc R U . . .
H20B H 0.323937 -0.216884 0.493967 0.122 Uiso 1 1 calc R U . . .
H20C H 0.272794 -0.161171 0.508128 0.122 Uiso 1 1 calc R U . . .
C16 C 0.1361(5) -0.1519(9) 0.6071(4) 0.082(5) Uani 1 1 d . . . . .
H16A H 0.122579 -0.136547 0.575754 0.123 Uiso 1 1 calc R U . . .
H16B H 0.102556 -0.166036 0.619749 0.123 Uiso 1 1 calc R U . . .
H16C H 0.161976 -0.204360 0.609972 0.123 Uiso 1 1 calc R U . . .
C18 C 0.3671(5) -0.0890(8) 0.4493(5) 0.073(4) Uani 1 1 d . . . . .
H18A H 0.367400 -0.041373 0.427473 0.109 Uiso 1 1 calc R U . . .
H18B H 0.376504 -0.146884 0.437379 0.109 Uiso 1 1 calc R U . . .
H18C H 0.396058 -0.075291 0.476464 0.109 Uiso 1 1 calc R U . . .
C19 C 0.2600(5) -0.1272(8) 0.4219(5) 0.096(6) Uani 1 1 d . . . . .
H19A H 0.222277 -0.125504 0.430345 0.144 Uiso 1 1 calc R U . . .
H19B H 0.268607 -0.189284 0.414585 0.144 Uiso 1 1 calc R U . . .
H19C H 0.258539 -0.088465 0.396109 0.144 Uiso 1 1 calc R U . . .
C21 C 0.1138(4) -0.0653(6) 0.4437(3) 0.033(2) Uani 1 1 d . . . . .
F1 F 0.0605(3) -0.2038(4) 0.4519(2) 0.0574(16) Uani 1 1 d . . . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Ag1 S4 2.387(2) . ?
Ag1 S1 2.403(2) . ?
Ag1 Ag2 2.9445(9) . ?
Ag1 Ag3 3.0209(9) . ?
Ag1 Ag5 3.0408(9) . ?
Ag1 Ag6 3.1822(9) 2_646 ?
Ag1 Ag7 3.2407(10) . ?
Ag3 N1 2.312(7) . ?
Ag3 O4 2.442(6) 2_646 ?
Ag3 S2 2.465(2) . ?
Ag3 S1 2.698(2) . ?
Ag2 S3 2.385(2) . ?
Ag2 S1 2.444(2) . ?
Ag2 Ag4 2.9456(9) 7_556 ?
Ag4 O2 2.303(6) . ?
Ag4 S3 2.490(2) . ?
Ag4 S5 2.552(2) . ?
Ag4 Ag5 2.9357(9) . ?
Ag4 S1 2.962(2) 7_556 ?
Ag5 O1 2.421(6) . ?
Ag5 S4 2.446(2) . ?
Ag5 S5 2.505(2) . ?
Ag5 Ag7 3.0945(10) . ?
Ag6 N2 2.299(6) . ?
Ag6 O3 2.447(6) . ?
Ag6 S2 2.490(2) 2_666 ?
Ag6 S4 2.549(2) 2_666 ?
Ag7 S2 2.411(2) . ?
Ag7 S5 2.485(2) . ?
Ag7 S3 2.665(2) 7_556 ?
S1 C1 1.866(8) . ?
S2 C5 1.842(8) . ?
S3 C9 1.857(8) . ?
S5 C17 1.882(9) . ?
S4 C13 1.861(8) . ?
N1 C25 1.340(11) . ?
N1 C29 1.345(10) . ?
N2 C32 1.319(11) . ?
N2 C33 1.330(10) . ?
N3 N4 1.221(9) . ?
N3 C27 1.460(10) . ?
N4 C30 1.455(10) . ?
F6 C24 1.325(11) . ?
F5 C24 1.321(10) . ?
F4 C24 1.343(10) . ?
F2 C22 1.287(13) . ?
C22 F3 1.308(13) . ?
C22 F1 1.310(12) . ?
C22 C21 1.534(13) . ?
O4 C23 1.238(10) . ?
O2 C21 1.247(10) . ?
C29 C28 1.355(11) . ?
C29 H29 0.9300 . ?
O3 C23 1.224(10) . ?
C27 C28 1.362(11) . ?
C27 C26 1.381(11) . ?
C5 C7 1.503(12) . ?
C5 C6 1.514(12) . ?
C5 C8 1.539(12) . ?
O1 C21 1.227(10) . ?
C26 C25 1.372(11) . ?
C26 H26 0.9300 . ?
C28 H28 0.9300 . ?
C9 C11 1.518(12) . ?
C9 C12 1.521(11) . ?
C9 C10 1.528(11) . ?
C25 H25 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C30 C34 1.355(12) . ?
C30 C31 1.361(12) . ?
C32 C31 1.373(12) . ?
C32 H32 0.9300 . ?
C33 C34 1.392(12) . ?
C33 H33 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C13 C14 1.480(12) . ?
C13 C15 1.500(12) . ?
C13 C16 1.503(12) . ?
C31 H31 0.9300 . ?
C23 C24 1.532(12) . ?
C34 H34 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C1 C2 1.502(12) . ?
C1 C3 1.508(12) . ?
C1 C4 1.534(11) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C17 C19 1.467(13) . ?
C17 C18 1.497(13) . ?
C17 C20 1.527(14) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
S4 Ag1 S1 178.30(8) . . ?
S4 Ag1 Ag2 125.24(6) . . ?
S1 Ag1 Ag2 53.23(5) . . ?
S4 Ag1 Ag3 122.34(5) . . ?
S1 Ag1 Ag3 58.33(5) . . ?
Ag2 Ag1 Ag3 101.89(3) . . ?
S4 Ag1 Ag5 51.87(5) . . ?
S1 Ag1 Ag5 126.43(6) . . ?
Ag2 Ag1 Ag5 77.26(2) . . ?
Ag3 Ag1 Ag5 125.51(3) . . ?
S4 Ag1 Ag6 52.12(5) . 2_646 ?
S1 Ag1 Ag6 128.95(5) . 2_646 ?
Ag2 Ag1 Ag6 159.95(3) . 2_646 ?
Ag3 Ag1 Ag6 71.97(2) . 2_646 ?
Ag5 Ag1 Ag6 90.70(2) . 2_646 ?
S4 Ag1 Ag7 89.83(5) . . ?
S1 Ag1 Ag7 89.07(6) . . ?
Ag2 Ag1 Ag7 78.11(2) . . ?
Ag3 Ag1 Ag7 67.52(2) . . ?
Ag5 Ag1 Ag7 58.92(2) . . ?
Ag6 Ag1 Ag7 81.95(2) 2_646 . ?
N1 Ag3 O4 94.1(2) . 2_646 ?
N1 Ag3 S2 126.27(17) . . ?
O4 Ag3 S2 110.27(16) 2_646 . ?
N1 Ag3 S1 101.69(17) . . ?
O4 Ag3 S1 104.18(16) 2_646 . ?
S2 Ag3 S1 116.43(7) . . ?
N1 Ag3 Ag1 150.65(16) . . ?
O4 Ag3 Ag1 97.57(14) 2_646 . ?
S2 Ag3 Ag1 74.11(5) . . ?
S1 Ag3 Ag1 49.30(5) . . ?
S3 Ag2 S1 176.66(8) . . ?
S3 Ag2 Ag1 130.75(6) . . ?
S1 Ag2 Ag1 51.97(5) . . ?
S3 Ag2 Ag4 112.75(6) . 7_556 ?
S1 Ag2 Ag4 65.90(5) . 7_556 ?
Ag1 Ag2 Ag4 110.95(3) . 7_556 ?
O2 Ag4 S3 118.41(17) . . ?
O2 Ag4 S5 107.07(15) . . ?
S3 Ag4 S5 126.69(7) . . ?
O2 Ag4 Ag5 89.85(15) . . ?
S3 Ag4 Ag5 98.41(5) . . ?
S5 Ag4 Ag5 53.78(5) . . ?
O2 Ag4 Ag2 158.59(17) . 7_556 ?
S3 Ag4 Ag2 73.34(5) . 7_556 ?
S5 Ag4 Ag2 74.00(5) . 7_556 ?
Ag5 Ag4 Ag2 106.72(3) . 7_556 ?
O2 Ag4 S1 111.90(16) . 7_556 ?
S3 Ag4 S1 84.34(6) . 7_556 ?
S5 Ag4 S1 103.89(6) . 7_556 ?
Ag5 Ag4 S1 153.78(5) . 7_556 ?
Ag2 Ag4 S1 48.88(4) 7_556 7_556 ?
O1 Ag5 S4 108.76(16) . . ?
O1 Ag5 S5 105.31(16) . . ?
S4 Ag5 S5 137.47(7) . . ?
O1 Ag5 Ag4 72.23(15) . . ?
S4 Ag5 Ag4 161.90(6) . . ?
S5 Ag5 Ag4 55.25(5) . . ?
O1 Ag5 Ag1 138.08(16) . . ?
S4 Ag5 Ag1 50.16(5) . . ?
S5 Ag5 Ag1 112.87(5) . . ?
Ag4 Ag5 Ag1 116.62(3) . . ?
O1 Ag5 Ag7 156.70(15) . . ?
S4 Ag5 Ag7 92.28(5) . . ?
S5 Ag5 Ag7 51.39(5) . . ?
Ag4 Ag5 Ag7 90.95(3) . . ?
Ag1 Ag5 Ag7 63.76(2) . . ?
N2 Ag6 O3 87.4(2) . . ?
N2 Ag6 S2 127.90(18) . 2_666 ?
O3 Ag6 S2 110.03(16) . 2_666 ?
N2 Ag6 S4 120.71(17) . 2_666 ?
O3 Ag6 S4 112.18(18) . 2_666 ?
S2 Ag6 S4 98.09(7) 2_666 2_666 ?
N2 Ag6 Ag1 161.26(17) . 2_666 ?
O3 Ag6 Ag1 85.48(17) . 2_666 ?
S2 Ag6 Ag1 70.83(5) 2_666 2_666 ?
S4 Ag6 Ag1 47.67(5) 2_666 2_666 ?
S2 Ag7 S5 139.17(8) . . ?
S2 Ag7 S3 127.29(7) . 7_556 ?
S5 Ag7 S3 93.53(7) . 7_556 ?
S2 Ag7 Ag5 103.78(6) . . ?
S5 Ag7 Ag5 51.97(5) . . ?
S3 Ag7 Ag5 111.40(5) 7_556 . ?
S2 Ag7 Ag1 70.59(5) . . ?
S5 Ag7 Ag1 107.21(5) . . ?
S3 Ag7 Ag1 96.87(5) 7_556 . ?
Ag5 Ag7 Ag1 57.31(2) . . ?
C1 S1 Ag1 107.5(3) . . ?
C1 S1 Ag2 108.2(3) . . ?
Ag1 S1 Ag2 74.80(6) . . ?
C1 S1 Ag3 118.9(3) . . ?
Ag1 S1 Ag3 72.36(6) . . ?
Ag2 S1 Ag3 128.50(8) . . ?
C1 S1 Ag4 113.7(3) . 7_556 ?
Ag1 S1 Ag4 129.23(8) . 7_556 ?
Ag2 S1 Ag4 65.22(5) . 7_556 ?
Ag3 S1 Ag4 109.60(7) . 7_556 ?
C5 S2 Ag7 118.4(3) . . ?
C5 S2 Ag3 110.3(3) . . ?
Ag7 S2 Ag3 91.24(7) . . ?
C5 S2 Ag6 116.2(3) . 2_646 ?
Ag7 S2 Ag6 118.51(8) . 2_646 ?
Ag3 S2 Ag6 94.81(7) . 2_646 ?
C9 S3 Ag2 106.0(3) . . ?
C9 S3 Ag4 111.1(3) . . ?
Ag2 S3 Ag4 99.78(8) . . ?
C9 S3 Ag7 105.7(3) . 7_556 ?
Ag2 S3 Ag7 101.83(8) . 7_556 ?
Ag4 S3 Ag7 129.67(9) . 7_556 ?
C17 S5 Ag7 114.1(3) . . ?
C17 S5 Ag5 101.5(3) . . ?
Ag7 S5 Ag5 76.64(6) . . ?
C17 S5 Ag4 124.0(3) . . ?
Ag7 S5 Ag4 117.26(9) . . ?
Ag5 S5 Ag4 70.97(6) . . ?
C13 S4 Ag1 107.4(3) . . ?
C13 S4 Ag5 120.1(3) . . ?
Ag1 S4 Ag5 77.97(6) . . ?
C13 S4 Ag6 114.6(3) . 2_646 ?
Ag1 S4 Ag6 80.21(6) . 2_646 ?
Ag5 S4 Ag6 124.89(8) . 2_646 ?
C25 N1 C29 116.4(7) . . ?
C25 N1 Ag3 119.4(5) . . ?
C29 N1 Ag3 122.9(5) . . ?
C32 N2 C33 116.8(7) . . ?
C32 N2 Ag6 116.8(6) . . ?
C33 N2 Ag6 124.8(6) . . ?
N4 N3 C27 112.3(7) . . ?
N3 N4 C30 113.2(7) . . ?
F2 C22 F3 107.6(12) . . ?
F2 C22 F1 106.7(11) . . ?
F3 C22 F1 104.9(9) . . ?
F2 C22 C21 110.4(9) . . ?
F3 C22 C21 112.0(10) . . ?
F1 C22 C21 114.8(9) . . ?
C23 O4 Ag3 125.5(6) . 2_666 ?
C21 O2 Ag4 113.2(6) . . ?
N1 C29 C28 123.4(8) . . ?
N1 C29 H29 118.3 . . ?
C28 C29 H29 118.3 . . ?
C23 O3 Ag6 133.1(6) . . ?
C28 C27 C26 119.4(7) . . ?
C28 C27 N3 116.6(7) . . ?
C26 C27 N3 123.9(8) . . ?
C7 C5 C6 111.8(9) . . ?
C7 C5 C8 110.4(8) . . ?
C6 C5 C8 109.2(8) . . ?
C7 C5 S2 108.2(6) . . ?
C6 C5 S2 109.2(6) . . ?
C8 C5 S2 108.0(6) . . ?
C21 O1 Ag5 129.1(6) . . ?
C25 C26 C27 117.7(8) . . ?
C25 C26 H26 121.1 . . ?
C27 C26 H26 121.1 . . ?
C29 C28 C27 119.2(8) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C11 C9 C12 111.0(8) . . ?
C11 C9 C10 110.0(7) . . ?
C12 C9 C10 109.2(7) . . ?
C11 C9 S3 107.9(6) . . ?
C12 C9 S3 110.0(6) . . ?
C10 C9 S3 108.7(6) . . ?
N1 C25 C26 123.8(8) . . ?
N1 C25 H25 118.1 . . ?
C26 C25 H25 118.1 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C34 C30 C31 119.4(8) . . ?
C34 C30 N4 124.7(8) . . ?
C31 C30 N4 115.6(8) . . ?
N2 C32 C31 124.1(9) . . ?
N2 C32 H32 118.0 . . ?
C31 C32 H32 118.0 . . ?
N2 C33 C34 122.8(8) . . ?
N2 C33 H33 118.6 . . ?
C34 C33 H33 118.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C14 C13 C15 110.4(9) . . ?
C14 C13 C16 110.3(9) . . ?
C15 C13 C16 110.3(9) . . ?
C14 C13 S4 111.9(6) . . ?
C15 C13 S4 107.2(6) . . ?
C16 C13 S4 106.6(6) . . ?
C30 C31 C32 118.3(9) . . ?
C30 C31 H31 120.8 . . ?
C32 C31 H31 120.8 . . ?
O3 C23 O4 131.4(9) . . ?
O3 C23 C24 113.1(8) . . ?
O4 C23 C24 115.5(8) . . ?
C30 C34 C33 118.6(8) . . ?
C30 C34 H34 120.7 . . ?
C33 C34 H34 120.7 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 C1 C3 109.9(8) . . ?
C2 C1 C4 110.7(7) . . ?
C3 C1 C4 110.4(8) . . ?
C2 C1 S1 105.9(6) . . ?
C3 C1 S1 109.9(6) . . ?
C4 C1 S1 110.0(6) . . ?
F5 C24 F6 108.6(8) . . ?
F5 C24 F4 104.8(8) . . ?
F6 C24 F4 105.2(7) . . ?
F5 C24 C23 113.7(8) . . ?
F6 C24 C23 111.9(8) . . ?
F4 C24 C23 112.0(8) . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C19 C17 C18 114.1(10) . . ?
C19 C17 C20 110.4(10) . . ?
C18 C17 C20 107.8(9) . . ?
C19 C17 S5 109.7(7) . . ?
C18 C17 S5 105.3(7) . . ?
C20 C17 S5 109.3(7) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O1 C21 O2 130.7(9) . . ?
O1 C21 C22 116.1(9) . . ?
O2 C21 C22 113.2(8) . . ?
 
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_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
C27 N3 N4 C30 176.3(7) . . . . ?
C25 N1 C29 C28 0.6(12) . . . . ?
Ag3 N1 C29 C28 -166.3(6) . . . . ?
N4 N3 C27 C28 -176.7(7) . . . . ?
N4 N3 C27 C26 -1.0(12) . . . . ?
Ag7 S2 C5 C7 -81.9(7) . . . . ?
Ag3 S2 C5 C7 175.0(6) . . . . ?
Ag6 S2 C5 C7 68.7(7) 2_646 . . . ?
Ag7 S2 C5 C6 40.0(7) . . . . ?
Ag3 S2 C5 C6 -63.0(7) . . . . ?
Ag6 S2 C5 C6 -169.4(6) 2_646 . . . ?
Ag7 S2 C5 C8 158.7(5) . . . . ?
Ag3 S2 C5 C8 55.6(6) . . . . ?
Ag6 S2 C5 C8 -50.7(7) 2_646 . . . ?
C28 C27 C26 C25 2.2(12) . . . . ?
N3 C27 C26 C25 -173.4(8) . . . . ?
N1 C29 C28 C27 2.1(13) . . . . ?
C26 C27 C28 C29 -3.5(12) . . . . ?
N3 C27 C28 C29 172.4(7) . . . . ?
Ag2 S3 C9 C11 -168.7(5) . . . . ?
Ag4 S3 C9 C11 -61.3(6) . . . . ?
Ag7 S3 C9 C11 83.7(6) 7_556 . . . ?
Ag2 S3 C9 C12 -47.5(7) . . . . ?
Ag4 S3 C9 C12 59.9(7) . . . . ?
Ag7 S3 C9 C12 -155.1(6) 7_556 . . . ?
Ag2 S3 C9 C10 72.0(6) . . . . ?
Ag4 S3 C9 C10 179.4(5) . . . . ?
Ag7 S3 C9 C10 -35.6(6) 7_556 . . . ?
C29 N1 C25 C26 -1.9(13) . . . . ?
Ag3 N1 C25 C26 165.5(7) . . . . ?
C27 C26 C25 N1 0.5(13) . . . . ?
N3 N4 C30 C34 -22.6(12) . . . . ?
N3 N4 C30 C31 163.6(8) . . . . ?
C33 N2 C32 C31 0.5(15) . . . . ?
Ag6 N2 C32 C31 -166.0(8) . . . . ?
C32 N2 C33 C34 -0.8(14) . . . . ?
Ag6 N2 C33 C34 164.5(7) . . . . ?
Ag1 S4 C13 C14 31.8(8) . . . . ?
Ag5 S4 C13 C14 -54.1(8) . . . . ?
Ag6 S4 C13 C14 118.8(8) 2_646 . . . ?
Ag1 S4 C13 C15 -89.4(7) . . . . ?
Ag5 S4 C13 C15 -175.3(6) . . . . ?
Ag6 S4 C13 C15 -2.4(8) 2_646 . . . ?
Ag1 S4 C13 C16 152.6(7) . . . . ?
Ag5 S4 C13 C16 66.6(8) . . . . ?
Ag6 S4 C13 C16 -120.5(7) 2_646 . . . ?
C34 C30 C31 C32 -0.4(15) . . . . ?
N4 C30 C31 C32 173.7(9) . . . . ?
N2 C32 C31 C30 0.1(16) . . . . ?
Ag6 O3 C23 O4 -2.0(16) . . . . ?
Ag6 O3 C23 C24 176.2(6) . . . . ?
Ag3 O4 C23 O3 23.5(14) 2_666 . . . ?
Ag3 O4 C23 C24 -154.8(6) 2_666 . . . ?
C31 C30 C34 C33 0.1(14) . . . . ?
N4 C30 C34 C33 -173.4(8) . . . . ?
N2 C33 C34 C30 0.5(14) . . . . ?
Ag1 S1 C1 C2 163.0(5) . . . . ?
Ag2 S1 C1 C2 -117.7(6) . . . . ?
Ag3 S1 C1 C2 83.9(6) . . . . ?
Ag4 S1 C1 C2 -47.4(7) 7_556 . . . ?
Ag1 S1 C1 C3 44.4(7) . . . . ?
Ag2 S1 C1 C3 123.7(6) . . . . ?
Ag3 S1 C1 C3 -34.7(7) . . . . ?
Ag4 S1 C1 C3 -166.0(6) 7_556 . . . ?
Ag1 S1 C1 C4 -77.3(6) . . . . ?
Ag2 S1 C1 C4 1.9(7) . . . . ?
Ag3 S1 C1 C4 -156.4(5) . . . . ?
Ag4 S1 C1 C4 72.2(6) 7_556 . . . ?
O3 C23 C24 F5 167.3(8) . . . . ?
O4 C23 C24 F5 -14.1(12) . . . . ?
O3 C23 C24 F6 -69.2(10) . . . . ?
O4 C23 C24 F6 109.3(9) . . . . ?
O3 C23 C24 F4 48.7(11) . . . . ?
O4 C23 C24 F4 -132.7(8) . . . . ?
Ag7 S5 C17 C19 167.2(8) . . . . ?
Ag5 S5 C17 C19 86.8(9) . . . . ?
Ag4 S5 C17 C19 12.2(10) . . . . ?
Ag7 S5 C17 C18 -69.6(8) . . . . ?
Ag5 S5 C17 C18 -150.0(7) . . . . ?
Ag4 S5 C17 C18 135.3(7) . . . . ?
Ag7 S5 C17 C20 45.9(8) . . . . ?
Ag5 S5 C17 C20 -34.4(8) . . . . ?
Ag4 S5 C17 C20 -109.1(7) . . . . ?
Ag5 O1 C21 O2 -23.4(15) . . . . ?
Ag5 O1 C21 C22 154.8(7) . . . . ?
Ag4 O2 C21 O1 2.6(13) . . . . ?
Ag4 O2 C21 C22 -175.7(6) . . . . ?
F2 C22 C21 O1 -115.7(12) . . . . ?
F3 C22 C21 O1 124.4(11) . . . . ?
F1 C22 C21 O1 4.9(14) . . . . ?
F2 C22 C21 O2 62.9(14) . . . . ?
F3 C22 C21 O2 -57.0(13) . . . . ?
F1 C22 C21 O2 -176.5(9) . . . . ?
 
_refine_diff_density_max    1.269
_refine_diff_density_min   -1.588
_refine_diff_density_rms    0.358



