# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ag13
_database_code_depnum_ccdc_archive 'CCDC 1899535'
loop_
_audit_author_name
_audit_author_address
'Zhou Lu'
;Jinan University
China
;
_audit_update_record             
;
2019-02-25 deposited with the CCDC.	2020-02-26 downloaded from the CCDC.
;
_audit_creation_date             2018-11-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H46 Ag13 F36 N12'
_chemical_formula_sum            'C94 H46 Ag13 F36 N12'
_chemical_formula_weight         3429.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Ag N H C F'
_chemical_oxdiff_usercomment     Ag13
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.3728(4)
_cell_length_b                   15.4794(4)
_cell_length_c                   15.4872(4)
_cell_angle_alpha                61.894(3)
_cell_angle_beta                 68.689(2)
_cell_angle_gamma                61.905(3)
_cell_volume                     2819.87(16)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    33431
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.2900
_cell_measurement_theta_min      2.5250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.308
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.020
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       lump
_exptl_crystal_F_000             1629
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.896
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            112942
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.067
_diffrn_reflns_theta_min         2.340
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      5.00  30.00   0.50   60.00    --   -2.60  30.00  -5.00   50
  2  ω    -69.00 -34.00   0.50   60.00    --   -2.60 -30.00-165.00   70
  3  ω    -53.00 -28.00   0.50   60.00    --    2.90 -30.00-165.00   50
  4  ω    -38.00  31.00   0.50   60.00    --   -2.60 -82.00 -30.00  138
  5  ω    -14.00  36.00   0.50   60.00    --   -2.60  77.00 -90.00  100
  6  ω    -84.00  26.00   0.50   60.00    --    2.90 -38.00  30.00  220
  7  ω     40.00  65.00   0.50   60.00    --    2.90  38.00-150.00   50
  8  ω    -13.00  36.00   0.50   60.00    --    2.90  38.00-150.00   98
  9  ω    -92.00 -21.00   0.50   12.00    --   -2.40 -51.00 -79.00  142
 10  ω     37.00  87.00   0.50   12.00    --   -2.40  23.00-121.97  100
 11  ω    -32.00  -5.00   0.50   12.00    --   -2.40  23.00-121.97   54
 12  ω    -42.00 -16.00   0.50   12.00    --    2.70 -80.00 -70.50   52
 13  ω     -9.00  26.00   0.50   12.00    --    2.70 -38.00 -30.00   70
 14  ω    -22.00  56.00   0.50   12.00    --    2.70 -12.00  51.43  156
 15  ω    -74.00 -25.00   0.50   12.00    --    2.70 -12.00  51.43   98
 16  ω     -1.00  37.00   0.50   12.00    --    2.70 -80.00 -70.50   76
 17  ω    -79.00 -20.00   0.50   12.00    --    2.70 -38.00 -30.00  118
 18  ω     11.00  37.00   0.50   12.00    --    2.70 -80.00-175.79   52
 19  ω    -42.00 -17.00   0.50   12.00    --    2.70 -80.00-175.79   50
 20  ω    -48.00  -4.00   0.50   12.00    --   -2.40 -51.00 -79.00   88
 21  ω    -71.00 -45.00   0.50   12.00    --    2.70 -51.00 -79.00   52
 22  ω    -54.00 -29.00   0.50   12.00    --    2.70 -51.00 -79.00   50
 23  ω    -54.00 -29.00   0.50   12.00    --    2.70 -51.00 -79.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0297204000
_diffrn_orient_matrix_UB_12      -0.0119203000
_diffrn_orient_matrix_UB_13      0.0328650000
_diffrn_orient_matrix_UB_21      0.0286525000
_diffrn_orient_matrix_UB_22      -0.0502187000
_diffrn_orient_matrix_UB_23      -0.0037559000
_diffrn_orient_matrix_UB_31      0.0335442000
_diffrn_orient_matrix_UB_32      0.0211833000
_diffrn_orient_matrix_UB_33      -0.0411544000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13645
_reflns_number_total             16203
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.04
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.348
_refine_diff_density_min         -1.570
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         16203
_refine_ls_number_restraints     143
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0342
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0282P)²+7.9141P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0795
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C37
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C37, C36, C35, C34, C39, C38
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C43, C42, C41, C40, C39, C38
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C40 \\sim C41 \\sim C39 \\sim C38 \\sim C43 \\sim C42: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C37)
\\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C43)
\\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C33) = Uanis(C34)
4. Others
 Fixed Sof: C34(0.5) C39(0.5) H39(0.5) C38(0.5) H38(0.5) C37(0.5) H37(0.5)
 C36(0.5) H36(0.5) C35(0.5) H35(0.5) C40(0.5) C45(0.5) H45(0.5) C44(0.5)
 H44(0.5) C43(0.5) H43(0.5) C42(0.5) H42(0.5) C41(0.5) H41(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C53(H53), C13(H13), C21(H21), C49(H49), C16(H16), C52(H52), C9(H9), C12(H12),
 C3(H3), C50(H50), C11(H11), C51(H51), C10(H10), C27(H27), C31(H31), C28(H28),
 C29(H29), C30(H30), C39(H39), C38(H38), C37(H37), C36(H36), C35(H35), C45(H45),
  C44(H44), C43(H43), C42(H42), C41(H41)
5.b Fitted hexagon refined as free rotating group:
 C34(C39,C38,C37,C36,C35), C40(C45,C44,C43,C42,C41)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.500000 0.500000 0.500000 0.02053(6) Uani 1 2 d S T P . .
Ag2 Ag 0.60170(2) 0.36412(2) 0.75734(2) 0.02855(6) Uani 1 1 d . . . . .
Ag3 Ag 0.72110(2) 0.40383(2) 0.53832(2) 0.02796(6) Uani 1 1 d . . . . .
Ag4 Ag 0.65704(2) 0.32694(2) 0.41511(2) 0.03859(7) Uani 1 1 d . . . . .
Ag5 Ag 0.46316(2) 0.41967(2) 0.36751(2) 0.02676(5) Uani 1 1 d . . . . .
Ag6 Ag 0.31048(2) 0.38015(2) 0.58617(2) 0.02802(6) Uani 1 1 d . . . . .
Ag7 Ag 0.38507(2) 0.43607(2) 0.70019(2) 0.02542(5) Uani 1 1 d . . . . .
F1 F 0.7047(2) 0.1212(3) 0.9338(2) 0.0796(10) Uani 1 1 d . . . . .
F2 F 0.6154(3) 0.2161(3) 1.0200(3) 0.0930(12) Uani 1 1 d . . . . .
F3 F 0.6208(3) 0.0611(3) 1.0733(3) 0.0948(13) Uani 1 1 d . . . . .
F4 F 0.2752(3) 0.1382(3) 0.9745(2) 0.0765(10) Uani 1 1 d . . . . .
F5 F 0.2205(2) 0.3057(3) 0.9117(3) 0.0747(9) Uani 1 1 d . . . . .
F6 F 0.2989(2) 0.2193(2) 0.81681(19) 0.0582(7) Uani 1 1 d . . . . .
F7 F 0.2969(2) 0.0953(2) 0.72712(17) 0.0507(6) Uani 1 1 d . . . . .
F8 F 0.18328(19) 0.23342(19) 0.6540(2) 0.0604(7) Uani 1 1 d . . . . .
F9 F 0.2273(2) 0.0885(2) 0.6348(2) 0.0566(7) Uani 1 1 d . . . . .
F10 F 0.5558(2) 0.08426(18) 0.32485(19) 0.0569(7) Uani 1 1 d . . . . .
F11 F 0.4864(2) 0.2456(2) 0.24689(19) 0.0775(10) Uani 1 1 d . . . . .
F12 F 0.6070(2) 0.1944(3) 0.3148(3) 0.0868(12) Uani 1 1 d . . . . .
F13 F 0.8482(2) 0.0782(2) 0.3706(2) 0.0612(7) Uani 1 1 d . . . . .
F14 F 0.71879(19) 0.0639(3) 0.4810(3) 0.0729(10) Uani 1 1 d . . . . .
F15 F 0.8634(2) -0.05551(19) 0.5047(2) 0.0598(7) Uani 1 1 d . . . . .
F16 F 0.9771(2) 0.0592(2) 0.7176(2) 0.0743(9) Uani 1 1 d . . . . .
F17 F 0.9778(3) 0.2102(3) 0.6180(2) 0.0758(10) Uani 1 1 d . . . . .
F18 F 0.85169(18) 0.1954(2) 0.7315(2) 0.0600(7) Uani 1 1 d . . . . .
N1 N 0.77675(19) 0.2053(2) 0.4976(2) 0.0259(5) Uani 1 1 d . . . . .
N2 N 0.80487(18) 0.2344(2) 0.54999(19) 0.0247(5) Uani 1 1 d . . . . .
N3 N 0.5161(2) 0.2713(2) 0.8621(2) 0.0314(6) Uani 1 1 d . . . . .
N4 N 0.4306(2) 0.2906(2) 0.8384(2) 0.0286(5) Uani 1 1 d . . . . .
N5 N 0.3629(2) 0.2592(2) 0.5315(2) 0.0278(5) Uani 1 1 d . . . . .
N6 N 0.4341(2) 0.2666(2) 0.4481(2) 0.0257(5) Uani 1 1 d . . . . .
C1 C 0.2991(3) 0.2181(3) 0.9028(3) 0.0437(9) Uani 1 1 d . . . . .
C2 C 0.3948(3) 0.2159(3) 0.9076(2) 0.0343(7) Uani 1 1 d . . . . .
C3 C 0.4567(3) 0.1458(3) 0.9777(3) 0.0417(9) Uani 1 1 d . . . . .
H3 H 0.449202 0.086997 1.032701 0.050 Uiso 1 1 calc R . . . .
C4 C 0.5313(3) 0.1844(3) 0.9462(3) 0.0365(8) Uani 1 1 d . . . . .
C5 C 0.6175(4) 0.1467(4) 0.9925(3) 0.0516(11) Uani 1 1 d . . . . .
C6 C 0.6922(2) 0.4522(3) 0.6669(2) 0.0278(6) Uani 1 1 d . . . . .
C7 C 0.7603(2) 0.4791(2) 0.6529(2) 0.0263(6) Uani 1 1 d . . . . .
C8 C 0.8382(2) 0.5156(3) 0.6348(2) 0.0293(6) Uani 1 1 d . . . . .
C9 C 0.8134(3) 0.6208(3) 0.6147(3) 0.0413(9) Uani 1 1 d . . . . .
H9 H 0.746818 0.666412 0.616073 0.050 Uiso 1 1 calc R . . . .
C10 C 0.8883(3) 0.6581(3) 0.5927(4) 0.0508(11) Uani 1 1 d . . . . .
H10 H 0.872278 0.729022 0.577261 0.061 Uiso 1 1 calc R . . . .
C11 C 0.9864(3) 0.5895(4) 0.5938(3) 0.0498(11) Uani 1 1 d . . . . .
H11 H 1.036442 0.614490 0.579206 0.060 Uiso 1 1 calc R . . . .
C12 C 1.0112(3) 0.4850(4) 0.6160(3) 0.0477(10) Uani 1 1 d . . . . .
H12 H 1.077612 0.439372 0.617576 0.057 Uiso 1 1 calc R . . . .
C13 C 0.9380(3) 0.4472(3) 0.6361(3) 0.0394(8) Uani 1 1 d . . . . .
H13 H 0.955092 0.376217 0.650496 0.047 Uiso 1 1 calc R . . . .
C14 C 0.8149(3) 0.0476(3) 0.4679(3) 0.0404(8) Uani 1 1 d . . . . .
C15 C 0.8305(2) 0.1025(3) 0.5151(3) 0.0303(7) Uani 1 1 d . . . . .
C16 C 0.8952(2) 0.0625(3) 0.5788(3) 0.0314(7) Uani 1 1 d . . . . .
H16 H 0.940674 -0.005758 0.602487 0.038 Uiso 1 1 calc R . . . .
C17 C 0.8762(2) 0.1485(2) 0.5988(2) 0.0268(6) Uani 1 1 d . . . . .
C18 C 0.9204(3) 0.1539(3) 0.6658(3) 0.0351(7) Uani 1 1 d . . . . .
C19 C 0.5262(3) 0.1784(3) 0.3276(3) 0.0335(7) Uani 1 1 d . . . . .
C20 C 0.4537(2) 0.1880(2) 0.4202(2) 0.0280(6) Uani 1 1 d . . . . .
C21 C 0.3948(3) 0.1288(2) 0.4845(3) 0.0302(7) Uani 1 1 d . . . . .
H21 H 0.393238 0.070772 0.481863 0.036 Uiso 1 1 calc R . . . .
C22 C 0.3385(3) 0.1769(3) 0.5537(3) 0.0302(7) Uani 1 1 d . . . . .
C23 C 0.2619(3) 0.1485(3) 0.6424(3) 0.0384(8) Uani 1 1 d . . . . .
C24 C 0.6140(2) 0.4220(3) 0.2734(3) 0.0307(7) Uani 1 1 d . . . . .
C25 C 0.6263(3) 0.4504(3) 0.1848(3) 0.0382(8) Uani 1 1 d . . . . .
C26 C 0.6390(4) 0.4807(3) 0.0783(3) 0.0519(11) Uani 1 1 d . . . . .
C27 C 0.6688(5) 0.5630(4) 0.0110(4) 0.0698(16) Uani 1 1 d . . . . .
H27 H 0.679872 0.601625 0.034567 0.084 Uiso 1 1 calc R . . . .
C28 C 0.6830(6) 0.5910(4) -0.0908(4) 0.088(2) Uani 1 1 d . . . . .
H28 H 0.705404 0.645913 -0.135047 0.106 Uiso 1 1 calc R . . . .
C29 C 0.6635(7) 0.5362(5) -0.1246(4) 0.099(3) Uani 1 1 d . . . . .
H29 H 0.670987 0.555541 -0.192806 0.118 Uiso 1 1 calc R . . . .
C30 C 0.6334(8) 0.4538(6) -0.0608(5) 0.110(3) Uani 1 1 d . . . . .
H30 H 0.622031 0.416490 -0.085651 0.133 Uiso 1 1 calc R . . . .
C31 C 0.6194(6) 0.4252(5) 0.0420(4) 0.0774(18) Uani 1 1 d . . . . .
H31 H 0.597397 0.369969 0.085804 0.093 Uiso 1 1 calc R . . . .
C32 C 0.2394(2) 0.5051(2) 0.6345(2) 0.0253(6) Uani 1 1 d . . . . .
C33 C 0.1772(2) 0.5535(3) 0.6875(2) 0.0283(6) Uani 1 1 d . . . . .
C34 C 0.0941(5) 0.6069(5) 0.7500(4) 0.0283(6) Uani 0.5 1 d . U . A 1
C35 C 0.0400(5) 0.5546(4) 0.8357(5) 0.053(2) Uani 0.5 1 d G U . A 1
H35 H 0.056781 0.482715 0.855139 0.064 Uiso 0.5 1 calc R . . A 1
C36 C -0.0393(5) 0.6096(6) 0.8925(5) 0.054(2) Uani 0.5 1 d G U . A 1
H36 H -0.075529 0.574534 0.949867 0.065 Uiso 0.5 1 calc R . . A 1
C37 C -0.0644(6) 0.7170(6) 0.8635(7) 0.114(8) Uani 0.5 1 d G U . A 1
H37 H -0.117448 0.753772 0.901445 0.137 Uiso 0.5 1 calc R . . A 1
C38 C -0.0103(9) 0.7693(4) 0.7777(8) 0.141(9) Uani 0.5 1 d G U . A 1
H38 H -0.027057 0.841193 0.758293 0.169 Uiso 0.5 1 calc R . . A 1
C39 C 0.0690(7) 0.7143(5) 0.7209(6) 0.113(7) Uani 0.5 1 d G U . A 1
H39 H 0.105253 0.749375 0.663563 0.136 Uiso 0.5 1 calc R . . A 1
C40 C 0.1065(5) 0.6195(6) 0.7417(5) 0.056(3) Uani 0.5 1 d . U . A 2
C41 C 0.1040(8) 0.5836(7) 0.8432(5) 0.150(9) Uani 0.5 1 d G U . A 2
H41 H 0.154177 0.522243 0.872869 0.180 Uiso 0.5 1 calc R . . A 2
C42 C 0.0266(10) 0.6395(9) 0.9002(4) 0.214(13) Uani 0.5 1 d G U . A 2
H42 H 0.024897 0.615535 0.968076 0.257 Uiso 0.5 1 calc R . . A 2
C43 C -0.0484(8) 0.7312(8) 0.8558(6) 0.182(13) Uani 0.5 1 d G U . A 2
H43 H -0.100251 0.768639 0.893994 0.219 Uiso 0.5 1 calc R . . A 2
C44 C -0.0460(5) 0.7671(6) 0.7544(6) 0.046(2) Uani 0.5 1 d G . . A 2
H44 H -0.096121 0.828453 0.724705 0.055 Uiso 0.5 1 calc R . . A 2
C45 C 0.0315(5) 0.7112(6) 0.6974(4) 0.0311(16) Uani 0.5 1 d G . . A 2
H45 H 0.033158 0.735163 0.629496 0.037 Uiso 0.5 1 calc R . . A 2
C46 C 0.5316(2) 0.3449(3) 0.5874(2) 0.0269(6) Uani 1 1 d . . . . .
C47 C 0.5577(2) 0.2505(3) 0.6332(2) 0.0266(6) Uani 1 1 d . . . . .
C48 C 0.5954(2) 0.1391(3) 0.6873(2) 0.0295(6) Uani 1 1 d . . . . .
C49 C 0.5624(4) 0.0717(3) 0.6823(3) 0.0488(10) Uani 1 1 d . . . . .
H49 H 0.512168 0.099148 0.646432 0.059 Uiso 1 1 calc R . . . .
C50 C 0.6045(4) -0.0356(4) 0.7307(4) 0.0600(13) Uani 1 1 d . . . . .
H50 H 0.581889 -0.080079 0.727605 0.072 Uiso 1 1 calc R . . . .
C51 C 0.6794(3) -0.0776(3) 0.7832(3) 0.0483(10) Uani 1 1 d . . . . .
H51 H 0.708562 -0.150129 0.813902 0.058 Uiso 1 1 calc R . . . .
C52 C 0.7109(3) -0.0121(3) 0.7902(3) 0.0374(8) Uani 1 1 d . . . . .
H52 H 0.760732 -0.040182 0.826729 0.045 Uiso 1 1 calc R . . . .
C53 C 0.6688(2) 0.0956(3) 0.7432(2) 0.0313(7) Uani 1 1 d . . . . .
H53 H 0.689989 0.139524 0.749119 0.038 Uiso 1 1 calc R . . . .


_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 Ag3 3.1606(3) . ?
Ag1 Ag3 3.1606(3) 2_666 ?
Ag1 Ag4 3.1070(3) . ?
Ag1 Ag4 3.1071(3) 2_666 ?
Ag1 Ag5 3.1607(3) 2_666 ?
Ag1 Ag5 3.1607(2) . ?
Ag1 Ag7 2.9133(2) . ?
Ag1 Ag7 2.9133(2) 2_666 ?
Ag1 C46 2.038(3) 2_666 ?
Ag1 C46 2.038(3) . ?
Ag2 Ag3 3.1346(4) . ?
Ag2 N3 2.112(3) . ?
Ag2 C6 2.080(3) . ?
Ag3 Ag4 3.2616(4) . ?
Ag3 N2 2.261(3) . ?
Ag3 C6 2.275(3) . ?
Ag3 C32 2.364(3) 2_666 ?
Ag4 N1 2.178(3) . ?
Ag4 C24 2.125(4) . ?
Ag5 Ag2 2.8451(4) 2_666 ?
Ag5 Ag3 3.3283(4) 2_666 ?
Ag5 Ag4 2.8386(4) . ?
Ag5 Ag6 3.3128(4) . ?
Ag5 N6 2.275(3) . ?
Ag5 C6 2.321(3) 2_666 ?
Ag5 C24 2.253(3) . ?
Ag6 Ag3 2.8655(4) 2_666 ?
Ag6 N5 2.109(3) . ?
Ag6 C32 2.067(3) . ?
Ag7 Ag2 3.2917(3) . ?
Ag7 Ag4 3.0817(4) 2_666 ?
Ag7 Ag6 3.0049(3) . ?
Ag7 N4 2.281(3) . ?
Ag7 C24 2.425(3) 2_666 ?
Ag7 C32 2.361(3) . ?
Ag7 C46 2.566(3) . ?
F1 C5 1.316(6) . ?
F2 C5 1.313(6) . ?
F3 C5 1.321(5) . ?
F4 C1 1.317(4) . ?
F5 C1 1.352(5) . ?
F6 C1 1.324(5) . ?
F7 C23 1.329(5) . ?
F8 C23 1.337(4) . ?
F9 C23 1.332(4) . ?
F10 C19 1.323(4) . ?
F11 C19 1.323(4) . ?
F12 C19 1.308(4) . ?
F13 C14 1.324(5) . ?
F14 C14 1.330(4) . ?
F15 C14 1.326(5) . ?
F16 C18 1.322(4) . ?
F17 C18 1.314(5) . ?
F18 C18 1.327(4) . ?
N1 C15 1.345(4) . ?
N2 N1 1.353(4) . ?
N2 C17 1.351(4) . ?
N3 N4 1.353(4) . ?
N3 C4 1.353(4) . ?
N4 C2 1.339(4) . ?
N5 N6 1.353(4) . ?
N5 C22 1.351(4) . ?
N6 C20 1.346(4) . ?
C2 C1 1.483(6) . ?
C2 C3 1.389(5) . ?
C3 H3 0.9300 . ?
C4 C3 1.370(6) . ?
C4 C5 1.476(6) . ?
C6 C7 1.215(4) . ?
C8 C7 1.441(4) . ?
C8 C9 1.386(5) . ?
C8 C13 1.396(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.388(5) . ?
C10 H10 0.9300 . ?
C11 C10 1.377(6) . ?
C11 H11 0.9300 . ?
C12 C11 1.367(6) . ?
C12 H12 0.9300 . ?
C13 C12 1.379(5) . ?
C13 H13 0.9300 . ?
C15 C14 1.489(5) . ?
C15 C16 1.380(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.382(5) . ?
C17 C18 1.480(5) . ?
C19 C20 1.484(5) . ?
C21 C20 1.384(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.387(5) . ?
C22 C23 1.487(5) . ?
C24 C25 1.197(5) . ?
C25 C26 1.450(6) . ?
C26 C27 1.368(7) . ?
C26 C31 1.402(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.385(7) . ?
C28 H28 0.9300 . ?
C28 C29 1.362(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.363(10) . ?
C30 H30 0.9300 . ?
C31 C30 1.397(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.219(4) . ?
C33 C34 1.453(6) . ?
C33 C40 1.424(6) . ?
C34 C35 1.3900 . ?
C34 C39 1.3900 . ?
C35 H35 0.9300 . ?
C36 C35 1.3900 . ?
C36 H36 0.9300 . ?
C37 C36 1.3900 . ?
C37 H37 0.9300 . ?
C38 C37 1.3900 . ?
C38 H38 0.9300 . ?
C39 C38 1.3900 . ?
C39 H39 0.9300 . ?
C40 C41 1.3900 . ?
C40 C45 1.3900 . ?
C41 H41 0.9300 . ?
C42 C41 1.3900 . ?
C42 H42 0.9300 . ?
C43 C42 1.3900 . ?
C43 H43 0.9300 . ?
C44 C43 1.3900 . ?
C44 H44 0.9300 . ?
C45 C44 1.3900 . ?
C45 H45 0.9300 . ?
C46 C47 1.215(5) . ?
C48 C47 1.436(5) . ?
C48 C49 1.397(5) . ?
C48 C53 1.387(5) . ?
C49 H49 0.9300 . ?
C49 C50 1.382(6) . ?
C50 H50 0.9300 . ?
C50 C51 1.374(7) . ?
C51 H51 0.9300 . ?
C52 C51 1.371(6) . ?
C52 H52 0.9300 . ?
C53 C52 1.383(5) . ?
C53 H53 0.9300 . ?

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
Ag3 Ag1 Ag3 180.0 . 2_666 ?
Ag3 Ag1 Ag5 116.459(6) 2_666 2_666 ?
Ag3 Ag1 Ag5 116.458(6) . . ?
Ag3 Ag1 Ag5 63.542(6) . 2_666 ?
Ag4 Ag1 Ag3 62.711(7) . . ?
Ag4 Ag1 Ag3 117.289(7) 2_666 . ?
Ag4 Ag1 Ag3 62.712(7) 2_666 2_666 ?
Ag4 Ag1 Ag3 117.288(7) . 2_666 ?
Ag4 Ag1 Ag4 180.0 . 2_666 ?
Ag4 Ag1 Ag5 53.852(7) . . ?
Ag4 Ag1 Ag5 53.852(7) 2_666 2_666 ?
Ag4 Ag1 Ag5 126.148(7) . 2_666 ?
Ag4 Ag1 Ag5 126.148(7) 2_666 . ?
Ag5 Ag1 Ag3 63.541(6) . 2_666 ?
Ag5 Ag1 Ag5 180.0 . 2_666 ?
Ag7 Ag1 Ag3 102.800(7) 2_666 2_666 ?
Ag7 Ag1 Ag3 77.200(7) 2_666 . ?
Ag7 Ag1 Ag3 77.201(7) . 2_666 ?
Ag7 Ag1 Ag3 102.800(7) . . ?
Ag7 Ag1 Ag4 61.478(8) . 2_666 ?
Ag7 Ag1 Ag4 118.523(8) 2_666 2_666 ?
Ag7 Ag1 Ag4 118.522(8) . . ?
Ag7 Ag1 Ag4 61.477(8) 2_666 . ?
Ag7 Ag1 Ag5 109.095(7) 2_666 2_666 ?
Ag7 Ag1 Ag5 109.094(7) . . ?
Ag7 Ag1 Ag5 70.905(7) 2_666 . ?
Ag7 Ag1 Ag5 70.906(7) . 2_666 ?
Ag7 Ag1 Ag7 180.0 2_666 . ?
C46 Ag1 Ag3 108.11(9) 2_666 . ?
C46 Ag1 Ag3 71.89(9) . . ?
C46 Ag1 Ag3 108.11(9) . 2_666 ?
C46 Ag1 Ag3 71.89(9) 2_666 2_666 ?
C46 Ag1 Ag4 59.47(8) . . ?
C46 Ag1 Ag4 120.53(8) 2_666 . ?
C46 Ag1 Ag4 120.53(8) . 2_666 ?
C46 Ag1 Ag4 59.47(8) 2_666 2_666 ?
C46 Ag1 Ag5 100.51(9) 2_666 . ?
C46 Ag1 Ag5 79.49(9) 2_666 2_666 ?
C46 Ag1 Ag5 79.49(9) . . ?
C46 Ag1 Ag5 100.51(9) . 2_666 ?
C46 Ag1 Ag7 120.67(8) . 2_666 ?
C46 Ag1 Ag7 59.34(8) 2_666 2_666 ?
C46 Ag1 Ag7 59.33(8) . . ?
C46 Ag1 Ag7 120.66(8) 2_666 . ?
C46 Ag1 C46 180.0 2_666 . ?
Ag3 Ag2 Ag7 95.272(9) . . ?
Ag5 Ag2 Ag3 67.441(9) 2_666 . ?
Ag5 Ag2 Ag7 69.770(9) 2_666 . ?
N3 Ag2 Ag3 138.44(8) . . ?
N3 Ag2 Ag5 129.60(8) . 2_666 ?
N3 Ag2 Ag7 66.09(8) . . ?
C6 Ag2 Ag3 46.49(9) . . ?
C6 Ag2 Ag5 53.54(9) . 2_666 ?
C6 Ag2 Ag7 119.19(9) . . ?
C6 Ag2 N3 173.83(12) . . ?
Ag1 Ag3 Ag4 57.841(7) . . ?
Ag1 Ag3 Ag5 58.231(6) . 2_666 ?
Ag2 Ag3 Ag1 79.742(8) . . ?
Ag2 Ag3 Ag4 112.486(11) . . ?
Ag2 Ag3 Ag5 52.132(8) . 2_666 ?
Ag4 Ag3 Ag5 115.988(10) . 2_666 ?
Ag6 Ag3 Ag1 75.430(8) 2_666 . ?
Ag6 Ag3 Ag2 115.483(11) 2_666 . ?
Ag6 Ag3 Ag4 102.358(10) 2_666 . ?
Ag6 Ag3 Ag5 64.158(9) 2_666 2_666 ?
N2 Ag3 Ag1 114.20(6) . . ?
N2 Ag3 Ag2 98.28(7) . . ?
N2 Ag3 Ag4 63.40(7) . . ?
N2 Ag3 Ag5 149.25(7) . 2_666 ?
N2 Ag3 Ag6 146.20(7) . 2_666 ?
N2 Ag3 C6 121.24(11) . . ?
N2 Ag3 C32 101.67(10) . 2_666 ?
C6 Ag3 Ag1 99.96(8) . . ?
C6 Ag3 Ag2 41.53(8) . . ?
C6 Ag3 Ag4 151.94(8) . . ?
C6 Ag3 Ag5 44.15(8) . 2_666 ?
C6 Ag3 Ag6 86.26(9) . 2_666 ?
C6 Ag3 C32 128.87(12) . 2_666 ?
C32 Ag3 Ag1 84.66(7) 2_666 . ?
C32 Ag3 Ag2 158.44(8) 2_666 . ?
C32 Ag3 Ag4 70.25(7) 2_666 . ?
C32 Ag3 Ag5 106.77(8) 2_666 2_666 ?
C32 Ag3 Ag6 45.31(8) 2_666 2_666 ?
Ag1 Ag4 Ag3 59.448(7) . . ?
Ag5 Ag4 Ag1 64.040(8) . . ?
Ag5 Ag4 Ag3 123.367(12) . . ?
Ag5 Ag4 Ag7 73.046(9) . 2_666 ?
Ag7 Ag4 Ag1 56.164(7) 2_666 . ?
Ag7 Ag4 Ag3 73.415(9) 2_666 . ?
N1 Ag4 Ag1 117.65(7) . . ?
N1 Ag4 Ag3 65.69(7) . . ?
N1 Ag4 Ag5 154.98(7) . . ?
N1 Ag4 Ag7 130.17(7) . 2_666 ?
C24 Ag4 Ag1 90.91(9) . . ?
C24 Ag4 Ag3 124.55(9) . . ?
C24 Ag4 Ag5 51.57(9) . . ?
C24 Ag4 Ag7 51.61(9) . 2_666 ?
C24 Ag4 N1 146.80(11) . . ?
Ag1 Ag5 Ag3 58.228(6) . 2_666 ?
Ag1 Ag5 Ag6 69.538(7) . . ?
Ag2 Ag5 Ag1 84.261(8) 2_666 . ?
Ag2 Ag5 Ag3 60.427(8) 2_666 2_666 ?
Ag2 Ag5 Ag6 110.808(10) 2_666 . ?
Ag4 Ag5 Ag1 62.109(8) . . ?
Ag4 Ag5 Ag2 117.437(11) . 2_666 ?
Ag4 Ag5 Ag3 120.225(11) . 2_666 ?
Ag4 Ag5 Ag6 104.511(11) . . ?
Ag6 Ag5 Ag3 51.123(7) . 2_666 ?
N6 Ag5 Ag1 116.15(7) . . ?
N6 Ag5 Ag2 148.19(7) . 2_666 ?
N6 Ag5 Ag3 108.05(7) . 2_666 ?
N6 Ag5 Ag4 94.16(7) . . ?
N6 Ag5 Ag6 60.46(7) . . ?
N6 Ag5 C6 104.10(11) . 2_666 ?
C6 Ag5 Ag1 98.90(8) 2_666 . ?
C6 Ag5 Ag2 46.11(8) 2_666 2_666 ?
C6 Ag5 Ag3 43.05(8) 2_666 2_666 ?
C6 Ag5 Ag4 158.41(8) 2_666 . ?
C6 Ag5 Ag6 75.58(8) 2_666 . ?
C24 Ag5 Ag1 87.24(8) . . ?
C24 Ag5 Ag2 82.54(9) . 2_666 ?
C24 Ag5 Ag3 129.64(9) . 2_666 ?
C24 Ag5 Ag4 47.65(9) . . ?
C24 Ag5 Ag6 151.12(9) . . ?
C24 Ag5 N6 120.45(11) . . ?
C24 Ag5 C6 126.60(13) . 2_666 ?
Ag3 Ag6 Ag5 64.718(9) 2_666 . ?
Ag3 Ag6 Ag7 80.496(9) 2_666 . ?
Ag7 Ag6 Ag5 103.057(9) . . ?
N5 Ag6 Ag3 123.89(8) . 2_666 ?
N5 Ag6 Ag5 66.31(8) . . ?
N5 Ag6 Ag7 136.70(7) . . ?
C32 Ag6 Ag3 54.40(9) . 2_666 ?
C32 Ag6 Ag5 115.79(9) . . ?
C32 Ag6 Ag7 51.52(8) . . ?
C32 Ag6 N5 171.67(11) . . ?
Ag1 Ag7 Ag2 80.890(8) . . ?
Ag1 Ag7 Ag4 62.359(8) . 2_666 ?
Ag1 Ag7 Ag6 77.218(7) . . ?
Ag4 Ag7 Ag2 99.257(10) 2_666 . ?
Ag6 Ag7 Ag2 135.994(10) . . ?
Ag6 Ag7 Ag4 103.500(10) . 2_666 ?
N4 Ag7 Ag1 130.34(7) . . ?
N4 Ag7 Ag2 61.46(7) . . ?
N4 Ag7 Ag4 148.65(7) . 2_666 ?
N4 Ag7 Ag6 107.33(7) . . ?
N4 Ag7 C24 105.26(11) . 2_666 ?
N4 Ag7 C32 127.37(10) . . ?
N4 Ag7 C46 90.97(10) . . ?
C24 Ag7 Ag1 90.05(8) 2_666 . ?
C24 Ag7 Ag2 70.96(8) 2_666 . ?
C24 Ag7 Ag4 43.40(9) 2_666 2_666 ?
C24 Ag7 Ag6 145.57(9) 2_666 . ?
C24 Ag7 C46 121.14(11) 2_666 . ?
C32 Ag7 Ag1 90.53(8) . . ?
C32 Ag7 Ag2 170.89(8) . . ?
C32 Ag7 Ag4 73.83(8) . 2_666 ?
C32 Ag7 Ag6 43.27(8) . . ?
C32 Ag7 C24 106.22(11) . 2_666 ?
C32 Ag7 C46 106.96(10) . . ?
C46 Ag7 Ag1 43.08(7) . . ?
C46 Ag7 Ag2 68.67(7) . . ?
C46 Ag7 Ag4 105.24(8) . 2_666 ?
C46 Ag7 Ag6 69.22(7) . . ?
N2 N1 Ag4 115.88(19) . . ?
C15 N1 Ag4 136.4(2) . . ?
C15 N1 N2 107.7(3) . . ?
N1 N2 Ag3 115.03(18) . . ?
C17 N2 Ag3 137.6(2) . . ?
C17 N2 N1 107.4(3) . . ?
N4 N3 Ag2 116.7(2) . . ?
N4 N3 C4 107.8(3) . . ?
C4 N3 Ag2 134.9(3) . . ?
N3 N4 Ag7 115.2(2) . . ?
C2 N4 Ag7 137.6(2) . . ?
C2 N4 N3 107.2(3) . . ?
N6 N5 Ag6 115.32(19) . . ?
C22 N5 Ag6 136.2(2) . . ?
C22 N5 N6 108.2(3) . . ?
N5 N6 Ag5 117.07(19) . . ?
C20 N6 Ag5 133.4(2) . . ?
C20 N6 N5 107.3(3) . . ?
F4 C1 F5 105.9(4) . . ?
F4 C1 F6 108.0(3) . . ?
F4 C1 C2 112.4(4) . . ?
F5 C1 C2 112.5(3) . . ?
F6 C1 F5 104.0(4) . . ?
F6 C1 C2 113.4(3) . . ?
N4 C2 C1 119.7(3) . . ?
N4 C2 C3 111.2(3) . . ?
C3 C2 C1 129.2(3) . . ?
C2 C3 H3 128.4 . . ?
C4 C3 C2 103.2(3) . . ?
C4 C3 H3 128.4 . . ?
N3 C4 C3 110.7(3) . . ?
N3 C4 C5 120.1(4) . . ?
C3 C4 C5 129.2(3) . . ?
F1 C5 F3 105.5(4) . . ?
F1 C5 C4 113.3(4) . . ?
F2 C5 F1 106.5(4) . . ?
F2 C5 F3 106.3(4) . . ?
F2 C5 C4 113.0(4) . . ?
F3 C5 C4 111.8(4) . . ?
Ag2 C6 Ag3 91.98(12) . . ?
Ag2 C6 Ag5 80.35(10) . 2_666 ?
Ag3 C6 Ag5 92.80(11) . 2_666 ?
C7 C6 Ag2 151.3(3) . . ?
C7 C6 Ag3 106.8(2) . . ?
C7 C6 Ag5 119.1(3) . 2_666 ?
C6 C7 C8 177.6(4) . . ?
C9 C8 C7 119.3(3) . . ?
C9 C8 C13 119.5(3) . . ?
C13 C8 C7 121.2(3) . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.9(4) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.7(4) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.8(4) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C8 C13 H13 120.1 . . ?
C12 C13 C8 119.8(4) . . ?
C12 C13 H13 120.1 . . ?
F13 C14 F14 106.4(4) . . ?
F13 C14 F15 106.3(3) . . ?
F13 C14 C15 112.5(3) . . ?
F14 C14 C15 112.6(3) . . ?
F15 C14 F14 107.3(3) . . ?
F15 C14 C15 111.2(3) . . ?
N1 C15 C14 120.0(3) . . ?
N1 C15 C16 111.0(3) . . ?
C16 C15 C14 129.0(3) . . ?
C15 C16 H16 128.4 . . ?
C15 C16 C17 103.2(3) . . ?
C17 C16 H16 128.4 . . ?
N2 C17 C16 110.8(3) . . ?
N2 C17 C18 120.5(3) . . ?
C16 C17 C18 128.7(3) . . ?
F16 C18 F18 106.5(3) . . ?
F16 C18 C17 111.2(3) . . ?
F17 C18 F16 106.4(3) . . ?
F17 C18 F18 106.2(3) . . ?
F17 C18 C17 113.2(3) . . ?
F18 C18 C17 112.9(3) . . ?
F10 C19 F11 105.2(3) . . ?
F10 C19 C20 111.6(3) . . ?
F11 C19 C20 112.2(3) . . ?
F12 C19 F10 107.1(3) . . ?
F12 C19 F11 106.1(4) . . ?
F12 C19 C20 114.1(3) . . ?
N6 C20 C19 119.9(3) . . ?
N6 C20 C21 111.0(3) . . ?
C21 C20 C19 129.0(3) . . ?
C20 C21 H21 128.3 . . ?
C20 C21 C22 103.4(3) . . ?
C22 C21 H21 128.3 . . ?
N5 C22 C21 110.1(3) . . ?
N5 C22 C23 120.8(3) . . ?
C21 C22 C23 129.1(3) . . ?
F7 C23 F8 106.1(3) . . ?
F7 C23 F9 106.8(3) . . ?
F7 C23 C22 113.1(3) . . ?
F8 C23 C22 112.1(3) . . ?
F9 C23 F8 107.4(3) . . ?
F9 C23 C22 110.9(3) . . ?
Ag4 C24 Ag5 80.78(12) . . ?
Ag4 C24 Ag7 84.99(11) . 2_666 ?
Ag5 C24 Ag7 97.88(12) . 2_666 ?
C25 C24 Ag4 154.7(3) . . ?
C25 C24 Ag5 120.2(3) . . ?
C25 C24 Ag7 104.1(3) . 2_666 ?
C24 C25 C26 176.8(4) . . ?
C27 C26 C25 122.1(4) . . ?
C27 C26 C31 118.3(4) . . ?
C31 C26 C25 119.6(4) . . ?
C26 C27 H27 118.8 . . ?
C26 C27 C28 122.4(5) . . ?
C28 C27 H27 118.8 . . ?
C27 C28 H28 120.8 . . ?
C29 C28 C27 118.4(6) . . ?
C29 C28 H28 120.8 . . ?
C28 C29 H29 119.2 . . ?
C28 C29 C30 121.5(5) . . ?
C30 C29 H29 119.2 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.1(6) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 H31 120.4 . . ?
C30 C31 C26 119.3(6) . . ?
C30 C31 H31 120.4 . . ?
Ag6 C32 Ag3 80.29(11) . 2_666 ?
Ag6 C32 Ag7 85.21(11) . . ?
Ag7 C32 Ag3 106.86(12) . 2_666 ?
C33 C32 Ag3 119.8(2) . 2_666 ?
C33 C32 Ag6 154.8(3) . . ?
C33 C32 Ag7 101.5(2) . . ?
C32 C33 C34 172.7(4) . . ?
C32 C33 C40 174.1(5) . . ?
C35 C34 C33 122.3(5) . . ?
C39 C34 C33 117.7(5) . . ?
C39 C34 C35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C34 C39 C38 120.0 . . ?
C34 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 C33 119.1(5) . . ?
C45 C40 C33 120.2(5) . . ?
C45 C40 C41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C40 C45 H45 120.0 . . ?
C44 C45 C40 120.0 . . ?
C44 C45 H45 120.0 . . ?
Ag1 C46 Ag7 77.58(10) . . ?
C47 C46 Ag1 174.3(3) . . ?
C47 C46 Ag7 108.1(2) . . ?
C46 C47 C48 175.8(3) . . ?
C49 C48 C47 121.5(3) . . ?
C53 C48 C47 120.0(3) . . ?
C53 C48 C49 118.5(3) . . ?
C48 C49 H49 120.1 . . ?
C50 C49 C48 119.9(4) . . ?
C50 C49 H49 120.1 . . ?
C49 C50 H50 119.5 . . ?
C51 C50 C49 120.9(4) . . ?
C51 C50 H50 119.5 . . ?
C50 C51 H51 120.2 . . ?
C52 C51 C50 119.7(4) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 119.9 . . ?
C51 C52 C53 120.2(4) . . ?
C53 C52 H52 119.9 . . ?
C48 C53 H53 119.6 . . ?
C52 C53 C48 120.8(3) . . ?
C52 C53 H53 119.6 . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 438 123 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.317
_oxdiff_exptl_absorpt_empirical_full_min 0.778
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ag113Cu17
_database_code_depnum_ccdc_archive 'CCDC 1899537'
loop_
_audit_author_name
_audit_author_address
'Zhou Lu'
;Jinan University
China
;
_audit_update_record             
;
2019-02-26 deposited with the CCDC.	2020-02-26 downloaded from the CCDC.
;
_audit_creation_date             2018-11-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H46 Ag11.5 Cu1.5 F36 N12'
_chemical_formula_sum            'C94 H46 Ag11.50 Cu1.50 F36 N12'
_chemical_formula_weight         3363.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N F Ag Cu'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.4952(4)
_cell_length_b                   15.5896(3)
_cell_length_c                   15.5997(3)
_cell_angle_alpha                61.283(2)
_cell_angle_beta                 67.640(2)
_cell_angle_gamma                61.420(2)
_cell_volume                     2846.14(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    15973
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.2340
_cell_measurement_theta_min      5.0790
_shelx_estimated_absorpt_T_max   0.489
_shelx_estimated_absorpt_T_min   0.286
_exptl_absorpt_coefficient_mu    16.724
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.962
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1602
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            33504
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.223
_diffrn_reflns_theta_min         5.111
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00   3.00   0.50    0.50    --   -2.20 -64.00 -68.00  136
  2  ω     18.00  43.00   0.50    0.50    --   -2.20  64.00  67.00   50
  3  ω    -39.00 -12.00   0.50    0.50    --    2.20 -64.00 -68.00   54
  4  ω     33.00  58.00   0.50    0.50    --    2.20  64.00  67.00   50
  5  ω     64.00  97.00   0.50    0.50    --  106.30 -64.00 -68.00   66
  6  ω     80.00 195.00   0.50    0.50    --  106.30  64.00  67.00  230
  7  ω    -38.00  31.00   0.50    0.50    --   -2.20 -82.00 150.00  138
  8  ω    -29.00  -2.00   0.50    0.50    --   -2.20  82.00 120.00   54
  9  ω    -36.00  38.00   0.50    0.50    --   -2.20  82.00 -30.00  148
 10  ω    -38.00  31.00   0.50    0.50    --   -2.20 -82.00  30.00  138
 11  ω    -37.00  32.00   0.50    0.50    --    2.20 -82.00-120.00  138
 12  ω    -30.00  -3.00   0.50    0.50    --    2.20  82.00-120.00   54
 13  ω     47.00 111.00   0.50    0.50    --  106.30 -82.00-120.00  128
 14  ω     58.00 139.00   0.50    0.50    --  106.30 -82.00  60.00  162
 15  ω     17.00 123.00   0.50    0.50    --  106.30 -38.00 -60.00  212
 16  ω     19.00 129.00   0.50    0.50    --  106.30 -82.00 -30.00  220
 17  ω     75.00 174.00   0.50    0.50    --  106.30  19.00  60.00  198
 18  ω     26.00  52.00   0.50    0.50    --  106.30 -82.00  60.00   52
 19  ω     82.00 107.00   0.50    0.50    --  106.30 -82.00-180.00   50
 20  ω     27.00 140.00   0.50    0.50    --  106.30 -82.00 -90.00  226
 21  ω     83.00 163.00   0.50    0.50    --  106.30  57.00  90.00  160
 22  ω     54.00 131.00   0.50    0.50    --  106.30 -57.00 120.00  154
 23  ω     39.00 104.00   0.50    0.50    --  106.30 -19.00  60.00  130
 24  ω     40.00 140.00   0.50    0.50    --  106.30 -82.00 120.00  200
 25  ω     33.00 128.00   0.50    0.50    --  106.30 -38.00  90.00  190
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0513843000
_diffrn_orient_matrix_UB_12      0.0419038000
_diffrn_orient_matrix_UB_13      0.0855486000
_diffrn_orient_matrix_UB_21      0.1006308000
_diffrn_orient_matrix_UB_22      -0.0024901000
_diffrn_orient_matrix_UB_23      -0.0000934000
_diffrn_orient_matrix_UB_31      -0.0236796000
_diffrn_orient_matrix_UB_32      0.1134862000
_diffrn_orient_matrix_UB_33      -0.0765861000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10484
_reflns_number_total             11751
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.193
_refine_diff_density_min         -2.049
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         11751
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0631
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0831P)²+21.6957P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1731
_refine_ls_wR_factor_ref         0.1759
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C34, C39, C35, C36, C37, C38
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C39 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
Uanis(C39) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C42) = Uanis(C45)
Uanis(C34) = Uanis(C35)
4. Others
 Fixed Sof: Ag06(0.75) Cu1(0.25)
5.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C29(H29), C11(H11), C24(H24), C8(H8), C5(H5), C17(H17), C19(H19),
 C21(H21), C20(H20), C6(H6), C18(H18), C7(H7), C39(H39), C35(H35), C36(H36),
 C37(H37), C38(H38), C46(H46), C45(H45), C44(H44), C43(H43), C47(H47)
5.b Fitted hexagon refined as free rotating group:
 C39(C34,C35,C36,C37,C38), C46(C45,C44,C43,C42,C47)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag7 Ag 0.61786(4) 0.55952(4) 0.30843(4) 0.04180(14) Uani 1 1 d . . . . .
Ag3 Ag 0.71340(4) 0.40585(4) 0.53766(4) 0.04713(16) Uani 1 1 d . . . . .
Ag5 Ag 0.53190(4) 0.58099(4) 0.62646(5) 0.04699(16) Uani 1 1 d . . . . .
Ag6 Ag 0.69581(5) 0.61840(5) 0.41476(5) 0.05005(16) Uani 1 1 d . . . . .
Ag2 Ag 0.59519(4) 0.36718(5) 0.75388(5) 0.05131(17) Uani 1 1 d . . . . .
Ag4 Ag 0.66646(10) 0.32696(10) 0.40662(10) 0.0572(3) Uani 0.75 1 d . . . A 1
Cu1 Cu 0.500000 0.500000 0.500000 0.0236(2) Uani 1 2 d S T P A .
F18 F 0.8486(4) 0.1960(5) 0.7288(5) 0.0777(18) Uani 1 1 d . . . . .
F12 F 0.2669(6) 0.1449(5) 0.9751(5) 0.091(2) Uani 1 1 d . . . . .
F10 F 0.2953(5) 0.2178(5) 0.8150(4) 0.0774(17) Uani 1 1 d . . . . .
F11 F 0.2171(4) 0.3119(5) 0.9028(5) 0.0832(18) Uani 1 1 d . . . . .
N1 N 0.6401(5) 0.7376(5) 0.4697(5) 0.0473(15) Uani 1 1 d . . . . .
N2 N 0.5660(5) 0.7298(5) 0.5531(5) 0.0455(15) Uani 1 1 d . . . . .
F15 F 0.8467(5) 0.0803(5) 0.3689(5) 0.0790(17) Uani 1 1 d . . . . .
F16 F 0.9748(6) 0.0614(5) 0.7122(6) 0.101(2) Uani 1 1 d . . . . .
F2 F 0.7756(5) 0.9068(6) 0.3695(5) 0.088(2) Uani 1 1 d . . . . .
N6 N 0.7746(4) 0.2072(5) 0.4967(5) 0.0410(13) Uani 1 1 d . . . . .
F14 F 0.8628(5) -0.0532(4) 0.5035(5) 0.0836(19) Uani 1 1 d . . . . .
N5 N 0.8018(4) 0.2358(4) 0.5484(4) 0.0364(12) Uani 1 1 d . . . . .
F3 F 0.7072(5) 0.9057(5) 0.2735(5) 0.0770(17) Uani 1 1 d . . . . .
N3 N 0.4266(5) 0.2943(5) 0.8324(5) 0.0457(15) Uani 1 1 d . . . . .
N4 N 0.5111(5) 0.2738(5) 0.8544(5) 0.0486(16) Uani 1 1 d . . . . .
F13 F 0.7186(5) 0.0646(6) 0.4827(7) 0.099(2) Uani 1 1 d . . . . .
F5 F 0.4361(6) 0.9142(5) 0.6719(6) 0.103(3) Uani 1 1 d . . . . .
F6 F 0.3954(6) 0.7980(9) 0.6861(7) 0.129(4) Uani 1 1 d . . . . .
C3 C 0.4107(6) 0.8514(6) 0.3200(6) 0.0452(17) Uani 1 1 d . . . . .
F1 F 0.8189(5) 0.7641(5) 0.3465(6) 0.099(2) Uani 1 1 d . . . . .
F8 F 0.6163(6) 0.0617(7) 1.0626(6) 0.126(3) Uani 1 1 d . . . . .
F17 F 0.9742(6) 0.2120(7) 0.6121(5) 0.099(2) Uani 1 1 d . . . . .
C4 C 0.3389(6) 0.8953(6) 0.2642(6) 0.050(2) Uani 1 1 d . . . . .
H4 H 0.315806 0.852820 0.259525 0.061 Uiso 1 1 calc R . . . .
C29 C 0.8933(6) 0.0654(6) 0.5754(6) 0.0502(19) Uani 1 1 d . . . . .
H29 H 0.939774 -0.002334 0.597804 0.060 Uiso 1 1 calc R . . . .
C14 C 0.6853(5) 0.4527(6) 0.6674(6) 0.0446(17) Uani 1 1 d . . . . .
C1 C 0.4711(5) 0.6444(6) 0.4211(6) 0.0421(16) Uani 1 1 d . . . . .
C15 C 0.7530(6) 0.4790(6) 0.6552(6) 0.0486(18) Uani 1 1 d . . . . .
C11 C 0.6062(7) 0.8674(7) 0.5157(7) 0.057(2) Uani 1 1 d . . . . .
H11 H 0.607356 0.925433 0.517841 0.068 Uiso 1 1 calc R . . . .
F9 F 0.6105(8) 0.2158(8) 1.0147(8) 0.138(4) Uani 1 1 d . . . . .
C24 C 0.4526(8) 0.1486(7) 0.9724(7) 0.061(2) Uani 1 1 d . . . . .
H24 H 0.445598 0.089884 1.028121 0.073 Uiso 1 1 calc R . . . .
C33 C 0.8288(6) 0.4463(6) 0.3150(6) 0.0466(18) Uani 1 1 d . . . . .
C32 C 0.7673(6) 0.4958(6) 0.3657(6) 0.0450(17) Uani 1 1 d . . . . .
F4 F 0.5086(8) 0.7597(7) 0.7507(5) 0.150(5) Uani 1 1 d . . . . .
F7 F 0.6982(5) 0.1258(8) 0.9252(6) 0.124(3) Uani 1 1 d . . . . .
C10 C 0.6644(6) 0.8190(6) 0.4469(7) 0.053(2) Uani 1 1 d . . . . .
C2 C 0.4444(5) 0.7390(6) 0.3745(6) 0.0421(16) Uani 1 1 d . . . . .
C30 C 0.8284(6) 0.1043(6) 0.5136(6) 0.0459(18) Uani 1 1 d . . . . .
C8 C 0.4476(9) 0.9159(8) 0.3217(8) 0.069(3) Uani 1 1 d . . . . .
H8 H 0.498392 0.886844 0.356480 0.083 Uiso 1 1 calc R . . . .
C5 C 0.3003(7) 1.0060(7) 0.2138(7) 0.065(3) Uani 1 1 d . . . . .
H5 H 0.250932 1.036542 0.176989 0.078 Uiso 1 1 calc R . . . .
C28 C 0.8728(6) 0.1506(6) 0.5959(6) 0.0452(17) Uani 1 1 d . . . . .
C23 C 0.3890(7) 0.2187(7) 0.9023(6) 0.053(2) Uani 1 1 d . . . . .
C27 C 0.9165(6) 0.1561(7) 0.6614(7) 0.055(2) Uani 1 1 d . . . . .
C16 C 0.8303(6) 0.5154(7) 0.6371(7) 0.054(2) Uani 1 1 d . . . . .
C12 C 0.5462(7) 0.8099(6) 0.5802(7) 0.0501(19) Uani 1 1 d . . . . .
C40 C 0.6192(7) 0.4220(8) 0.2764(8) 0.061(2) Uani 1 1 d . . . . .
C22 C 0.2949(8) 0.2219(7) 0.8989(7) 0.059(2) Uani 1 1 d . . . . .
C13 C 0.4711(7) 0.8212(7) 0.6706(7) 0.057(2) Uani 1 1 d . . . . .
C25 C 0.5260(7) 0.1871(7) 0.9395(7) 0.060(2) Uani 1 1 d . . . . .
C9 C 0.7415(7) 0.8499(7) 0.3581(9) 0.063(3) Uani 1 1 d . . . . .
C26 C 0.6099(9) 0.1489(9) 0.9856(9) 0.078(3) Uani 1 1 d . . . . .
C17 C 0.8064(8) 0.6169(8) 0.6215(9) 0.069(3) Uani 1 1 d . . . . .
H17 H 0.739757 0.662176 0.626250 0.082 Uiso 1 1 calc R . . . .
C19 C 0.9795(9) 0.5856(10) 0.5974(9) 0.081(4) Uani 1 1 d . . . . .
H19 H 1.029472 0.609566 0.584418 0.098 Uiso 1 1 calc R . . . .
C21 C 0.9315(7) 0.4466(9) 0.6362(9) 0.072(3) Uani 1 1 d . . . . .
H21 H 0.948505 0.376029 0.649841 0.086 Uiso 1 1 calc R . . . .
C20 C 1.0037(9) 0.4826(11) 0.6156(11) 0.092(4) Uani 1 1 d . . . . .
H20 H 1.070272 0.437002 0.613901 0.110 Uiso 1 1 calc R . . . .
C41 C 0.6310(8) 0.4519(9) 0.1872(10) 0.077(3) Uani 1 1 d . . . . .
C31 C 0.8130(7) 0.0502(7) 0.4679(8) 0.058(2) Uani 1 1 d . . . . .
C6 C 0.3360(9) 1.0667(7) 0.2199(8) 0.070(3) Uani 1 1 d . . . . .
H6 H 0.310130 1.139256 0.187984 0.084 Uiso 1 1 calc R . . . .
C18 C 0.8827(10) 0.6530(10) 0.5981(10) 0.083(3) Uani 1 1 d . . . . .
H18 H 0.867057 0.723653 0.583003 0.100 Uiso 1 1 calc R . . . .
C7 C 0.4094(11) 1.0222(9) 0.2724(10) 0.084(4) Uani 1 1 d . . . . .
H7 H 0.434037 1.064865 0.274684 0.101 Uiso 1 1 calc R . . . .
C39 C 0.9529(9) 0.4430(5) 0.1606(7) 0.188(11) Uani 1 1 d . U . . .
H39 H 0.923779 0.515758 0.132375 0.225 Uiso 1 1 calc R . . . .
C34 C 0.9139(7) 0.3893(5) 0.2577(6) 0.102(4) Uani 1 1 d G U . . .
C35 C 0.9575(7) 0.2806(5) 0.2999(5) 0.102(4) Uani 1 1 d G U . . .
H35 H 0.931439 0.244671 0.364878 0.123 Uiso 1 1 calc R . . . .
C36 C 1.0401(8) 0.2256(5) 0.2448(7) 0.157(9) Uani 1 1 d G U . . .
H36 H 1.069273 0.152904 0.272952 0.188 Uiso 1 1 calc R . . . .
C37 C 1.0791(8) 0.2793(7) 0.1476(6) 0.144(8) Uani 1 1 d G U . . .
H37 H 1.134361 0.242563 0.110736 0.172 Uiso 1 1 calc R . . . .
C38 C 1.0355(9) 0.3880(7) 0.1055(6) 0.208(13) Uani 1 1 d G U . . .
H38 H 1.061616 0.423989 0.040446 0.249 Uiso 1 1 calc R . . . .
C46 C 0.6321(10) 0.4548(9) -0.0570(8) 0.173(10) Uani 1 1 d . . . . .
H46 H 0.619645 0.417906 -0.080489 0.207 Uiso 1 1 calc R . . . .
C45 C 0.6628(11) 0.5387(8) -0.1238(6) 0.136(5) Uani 1 1 d G . . . .
H45 H 0.670975 0.557928 -0.191941 0.163 Uiso 1 1 calc R . . . .
C44 C 0.6814(10) 0.5939(7) -0.0886(7) 0.156(10) Uani 1 1 d G . . . .
H44 H 0.701953 0.649986 -0.133287 0.187 Uiso 1 1 calc R . . . .
C43 C 0.6692(9) 0.5651(8) 0.0133(7) 0.123(7) Uani 1 1 d G . . . .
H43 H 0.681600 0.602022 0.036820 0.147 Uiso 1 1 calc R . . . .
C42 C 0.6384(9) 0.4812(8) 0.0801(5) 0.136(5) Uani 1 1 d G . . . .
C47 C 0.6199(9) 0.4261(8) 0.0449(7) 0.110(5) Uani 1 1 d G . . . .
H47 H 0.599291 0.369942 0.089621 0.132 Uiso 1 1 calc R . . . .
Cu4 Cu 0.6366(4) 0.3223(5) 0.4470(4) 0.0347(13) Uani 0.25 1 d . . . A 2


_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
Ag7 Ag6 3.0167(9) . ?
Ag7 Ag2 3.3036(9) 2_666 ?
Ag7 Ag4 2.9978(13) . ?
Ag7 Cu1 2.8162(5) . ?
Ag7 N3 2.310(6) 2_666 ?
Ag7 C1 2.515(7) . ?
Ag7 C32 2.380(8) . ?
Ag7 C40 2.414(9) . ?
Ag7 Cu4 3.194(6) . ?
Ag3 Ag5 3.2568(8) . ?
Ag3 Ag6 2.8563(8) . ?
Ag3 Ag2 3.0818(8) . ?
Ag3 Ag4 3.2593(15) . ?
Ag3 Cu1 3.0723(6) . ?
Ag3 N5 2.281(6) . ?
Ag3 C14 2.294(8) . ?
Ag3 C32 2.379(8) . ?
Ag3 Cu4 3.106(7) . ?
Ag5 Ag6 3.2987(8) . ?
Ag5 Ag2 2.8306(8) . ?
Ag5 Ag4 2.8369(14) 2_666 ?
Ag5 Cu1 3.0762(6) . ?
Ag5 N2 2.266(6) . ?
Ag5 C14 2.332(7) . ?
Ag5 C40 2.262(8) 2_666 ?
Ag5 Cu4 2.693(7) 2_666 ?
Ag6 N1 2.089(7) . ?
Ag6 C32 2.049(8) . ?
Ag2 N4 2.083(7) . ?
Ag2 C14 2.041(8) . ?
Ag4 Cu1 3.2113(15) . ?
Ag4 N6 2.132(6) . ?
Ag4 C40 2.014(12) . ?
Cu1 C1 1.892(8) . ?
Cu1 C1 1.892(8) 2_666 ?
Cu1 Cu4 2.845(6) . ?
Cu1 Cu4 2.845(6) 2_666 ?
F18 C27 1.326(10) . ?
F12 C22 1.333(9) . ?
F10 C22 1.338(11) . ?
F11 C22 1.354(11) . ?
N1 N2 1.367(9) . ?
N1 C10 1.342(10) . ?
N2 C12 1.367(10) . ?
F15 C31 1.342(11) . ?
F16 C27 1.330(10) . ?
F2 C9 1.330(11) . ?
N6 N5 1.346(9) . ?
N6 C30 1.348(9) . ?
N6 Cu4 2.155(9) . ?
F14 C31 1.333(11) . ?
N5 C28 1.343(10) . ?
F3 C9 1.330(13) . ?
N3 N4 1.331(10) . ?
N3 C23 1.362(10) . ?
N4 C25 1.361(11) . ?
F13 C31 1.312(11) . ?
F5 C13 1.289(10) . ?
F6 C13 1.293(12) . ?
C3 C4 1.380(12) . ?
C3 C2 1.448(10) . ?
C3 C8 1.388(13) . ?
F1 C9 1.339(11) . ?
F8 C26 1.301(13) . ?
F17 C27 1.315(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.421(11) . ?
C29 H29 0.9300 . ?
C29 C30 1.378(13) . ?
C29 C28 1.377(12) . ?
C14 C15 1.219(11) . ?
C1 C2 1.220(11) . ?
C1 Cu4 2.208(9) 2_666 ?
C15 C16 1.442(12) . ?
C11 H11 0.9300 . ?
C11 C10 1.388(13) . ?
C11 C12 1.378(12) . ?
F9 C26 1.327(16) . ?
C24 H24 0.9300 . ?
C24 C23 1.416(13) . ?
C24 C25 1.353(14) . ?
C33 C32 1.200(11) . ?
C33 C34 1.439(9) . ?
F4 C13 1.298(13) . ?
F7 C26 1.328(14) . ?
C10 C9 1.493(13) . ?
C2 Cu4 2.485(9) 2_666 ?
C30 C31 1.475(12) . ?
C8 H8 0.9300 . ?
C8 C7 1.368(15) . ?
C5 H5 0.9300 . ?
C5 C6 1.355(16) . ?
C28 C27 1.475(13) . ?
C23 C22 1.454(14) . ?
C16 C17 1.355(14) . ?
C16 C21 1.414(13) . ?
C12 C13 1.473(12) . ?
C40 C41 1.205(16) . ?
C40 Cu4 2.396(14) . ?
C25 C26 1.456(16) . ?
C17 H17 0.9300 . ?
C17 C18 1.401(15) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(18) . ?
C19 C18 1.358(17) . ?
C21 H21 0.9300 . ?
C21 C20 1.351(16) . ?
C20 H20 0.9300 . ?
C41 C42 1.478(15) . ?
C6 H6 0.9300 . ?
C6 C7 1.362(17) . ?
C18 H18 0.9300 . ?
C7 H7 0.9300 . ?
C39 H39 0.9300 . ?
C39 C34 1.3900 . ?
C39 C38 1.3900 . ?
C34 C35 1.3900 . ?
C35 H35 0.9300 . ?
C35 C36 1.3900 . ?
C36 H36 0.9300 . ?
C36 C37 1.3900 . ?
C37 H37 0.9300 . ?
C37 C38 1.3900 . ?
C38 H38 0.9300 . ?
C46 H46 0.9300 . ?
C46 C45 1.3900 . ?
C46 C47 1.3900 . ?
C45 H45 0.9300 . ?
C45 C44 1.3900 . ?
C44 H44 0.9300 . ?
C44 C43 1.3900 . ?
C43 H43 0.9300 . ?
C43 C42 1.3900 . ?
C42 C47 1.3900 . ?
C47 H47 0.9300 . ?

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
Ag6 Ag7 Ag2 137.85(2) . 2_666 ?
Ag6 Ag7 Cu4 103.71(13) . . ?
Ag4 Ag7 Ag6 107.21(3) . . ?
Ag4 Ag7 Ag2 99.58(3) . 2_666 ?
Cu1 Ag7 Ag6 80.786(18) . . ?
Cu1 Ag7 Ag2 80.554(17) . 2_666 ?
Cu1 Ag7 Ag4 66.97(3) . . ?
Cu1 Ag7 Cu4 56.09(9) . . ?
N3 Ag7 Ag6 106.38(18) 2_666 . ?
N3 Ag7 Ag2 60.31(18) 2_666 2_666 ?
N3 Ag7 Ag4 144.81(17) 2_666 . ?
N3 Ag7 Cu1 129.23(16) 2_666 . ?
N3 Ag7 C1 92.2(2) 2_666 . ?
N3 Ag7 C32 124.5(3) 2_666 . ?
N3 Ag7 C40 102.9(3) 2_666 . ?
N3 Ag7 Cu4 149.9(2) 2_666 . ?
C1 Ag7 Ag6 71.94(18) . . ?
C1 Ag7 Ag2 69.15(18) . 2_666 ?
C1 Ag7 Ag4 107.83(19) . . ?
C1 Ag7 Cu1 41.08(18) . . ?
C1 Ag7 Cu4 97.0(2) . . ?
C32 Ag7 Ag6 42.62(19) . . ?
C32 Ag7 Ag2 175.2(2) . 2_666 ?
C32 Ag7 Ag4 76.6(2) . . ?
C32 Ag7 Cu1 95.22(19) . . ?
C32 Ag7 C1 109.1(3) . . ?
C32 Ag7 C40 107.9(3) . . ?
C32 Ag7 Cu4 79.2(2) . . ?
C40 Ag7 Ag6 147.6(3) . . ?
C40 Ag7 Ag2 70.1(2) . 2_666 ?
C40 Ag7 Ag4 42.0(3) . . ?
C40 Ag7 Cu1 91.4(2) . . ?
C40 Ag7 C1 120.7(3) . . ?
C40 Ag7 Cu4 48.1(3) . . ?
Ag5 Ag3 Ag4 118.94(3) . . ?
Ag6 Ag3 Ag5 64.930(19) . . ?
Ag6 Ag3 Ag2 116.14(2) . . ?
Ag6 Ag3 Ag4 104.49(3) . . ?
Ag6 Ag3 Cu1 79.207(19) . . ?
Ag6 Ag3 Cu4 109.99(12) . . ?
Ag2 Ag3 Ag5 52.959(18) . . ?
Ag2 Ag3 Ag4 116.26(3) . . ?
Ag2 Ag3 Cu4 105.53(9) . . ?
Cu1 Ag3 Ag5 58.073(15) . . ?
Cu1 Ag3 Ag2 80.437(19) . . ?
Cu1 Ag3 Ag4 60.87(3) . . ?
Cu1 Ag3 Cu4 54.84(11) . . ?
N5 Ag3 Ag5 151.10(15) . . ?
N5 Ag3 Ag6 143.95(15) . . ?
N5 Ag3 Ag2 99.19(15) . . ?
N5 Ag3 Ag4 62.50(16) . . ?
N5 Ag3 Cu1 115.45(15) . . ?
N5 Ag3 C14 120.5(2) . . ?
N5 Ag3 C32 100.4(2) . . ?
N5 Ag3 Cu4 63.82(19) . . ?
C14 Ag3 Ag5 45.72(19) . . ?
C14 Ag3 Ag6 85.4(2) . . ?
C14 Ag3 Ag2 41.5(2) . . ?
C14 Ag3 Ag4 156.37(19) . . ?
C14 Ag3 Cu1 101.17(18) . . ?
C14 Ag3 C32 126.7(3) . . ?
C14 Ag3 Cu4 145.7(2) . . ?
C32 Ag3 Ag5 107.31(18) . . ?
C32 Ag3 Ag6 44.94(19) . . ?
C32 Ag3 Ag2 160.27(18) . . ?
C32 Ag3 Ag4 71.4(2) . . ?
C32 Ag3 Cu1 88.89(18) . . ?
C32 Ag3 Cu4 81.1(2) . . ?
Cu4 Ag3 Ag5 112.10(10) . . ?
Ag3 Ag5 Ag6 51.656(17) . . ?
Ag2 Ag5 Ag3 60.348(19) . . ?
Ag2 Ag5 Ag6 110.43(2) . . ?
Ag2 Ag5 Ag4 116.39(3) . 2_666 ?
Ag2 Ag5 Cu1 84.45(2) . . ?
Ag4 Ag5 Ag3 123.60(4) 2_666 . ?
Ag4 Ag5 Ag6 111.56(4) 2_666 . ?
Ag4 Ag5 Cu1 65.64(3) 2_666 . ?
Cu1 Ag5 Ag3 57.959(15) . . ?
Cu1 Ag5 Ag6 72.705(18) . . ?
N2 Ag5 Ag3 108.80(17) . . ?
N2 Ag5 Ag6 60.60(17) . . ?
N2 Ag5 Ag2 144.52(18) . . ?
N2 Ag5 Ag4 97.91(17) . 2_666 ?
N2 Ag5 Cu1 120.03(18) . . ?
N2 Ag5 C14 101.8(3) . . ?
N2 Ag5 Cu4 92.7(2) . 2_666 ?
C14 Ag5 Ag3 44.8(2) . . ?
C14 Ag5 Ag6 75.1(2) . . ?
C14 Ag5 Ag2 45.3(2) . . ?
C14 Ag5 Ag4 159.8(2) . 2_666 ?
C14 Ag5 Cu1 100.2(2) . . ?
C14 Ag5 Cu4 158.6(2) . 2_666 ?
C40 Ag5 Ag3 129.3(2) 2_666 . ?
C40 Ag5 Ag6 155.4(3) 2_666 . ?
C40 Ag5 Ag2 81.9(3) 2_666 . ?
C40 Ag5 Ag4 44.8(3) 2_666 2_666 ?
C40 Ag5 Cu1 87.9(3) 2_666 . ?
C40 Ag5 N2 121.1(3) 2_666 . ?
C40 Ag5 C14 124.5(4) 2_666 . ?
C40 Ag5 Cu4 57.0(3) 2_666 2_666 ?
Cu4 Ag5 Ag3 115.55(13) 2_666 . ?
Cu4 Ag5 Ag6 99.10(11) 2_666 . ?
Cu4 Ag5 Ag2 122.70(14) 2_666 . ?
Cu4 Ag5 Cu1 58.65(14) 2_666 . ?
Ag7 Ag6 Ag5 97.67(2) . . ?
Ag3 Ag6 Ag7 76.10(2) . . ?
Ag3 Ag6 Ag5 63.414(19) . . ?
N1 Ag6 Ag7 135.4(2) . . ?
N1 Ag6 Ag3 123.95(19) . . ?
N1 Ag6 Ag5 66.77(18) . . ?
C32 Ag6 Ag7 51.9(2) . . ?
C32 Ag6 Ag3 55.1(2) . . ?
C32 Ag6 Ag5 115.4(2) . . ?
C32 Ag6 N1 172.7(3) . . ?
Ag3 Ag2 Ag7 93.40(2) . 2_666 ?
Ag5 Ag2 Ag7 68.75(2) . 2_666 ?
Ag5 Ag2 Ag3 66.69(2) . . ?
N4 Ag2 Ag7 66.41(19) . 2_666 ?
N4 Ag2 Ag3 136.1(2) . . ?
N4 Ag2 Ag5 129.90(18) . . ?
C14 Ag2 Ag7 119.3(2) . 2_666 ?
C14 Ag2 Ag3 48.1(2) . . ?
C14 Ag2 Ag5 54.3(2) . . ?
C14 Ag2 N4 173.9(3) . . ?
Ag7 Ag4 Ag3 70.60(3) . . ?
Ag7 Ag4 Cu1 53.81(2) . . ?
Ag5 Ag4 Ag7 73.30(3) 2_666 . ?
Ag5 Ag4 Ag3 117.46(5) 2_666 . ?
Ag5 Ag4 Cu1 60.77(3) 2_666 . ?
Cu1 Ag4 Ag3 56.69(3) . . ?
N6 Ag4 Ag7 130.64(18) . . ?
N6 Ag4 Ag3 66.07(18) . . ?
N6 Ag4 Ag5 149.26(17) . 2_666 ?
N6 Ag4 Cu1 113.97(18) . . ?
C40 Ag4 Ag7 53.3(3) . . ?
C40 Ag4 Ag3 123.8(3) . . ?
C40 Ag4 Ag5 52.3(2) . 2_666 ?
C40 Ag4 Cu1 88.7(3) . . ?
C40 Ag4 N6 154.3(3) . . ?
Ag7 Cu1 Ag7 180.0 2_666 . ?
Ag7 Cu1 Ag3 75.783(16) . . ?
Ag7 Cu1 Ag3 75.782(16) 2_666 2_666 ?
Ag7 Cu1 Ag3 104.217(16) . 2_666 ?
Ag7 Cu1 Ag3 104.217(16) 2_666 . ?
Ag7 Cu1 Ag5 107.624(16) 2_666 2_666 ?
Ag7 Cu1 Ag5 72.375(16) 2_666 . ?
Ag7 Cu1 Ag5 107.626(16) . . ?
Ag7 Cu1 Ag5 72.375(16) . 2_666 ?
Ag7 Cu1 Ag4 120.78(3) . 2_666 ?
Ag7 Cu1 Ag4 59.22(3) 2_666 2_666 ?
Ag7 Cu1 Ag4 120.78(3) 2_666 . ?
Ag7 Cu1 Ag4 59.22(3) . . ?
Ag7 Cu1 Cu4 68.68(11) 2_666 2_666 ?
Ag7 Cu1 Cu4 111.32(11) 2_666 . ?
Ag7 Cu1 Cu4 111.32(11) . 2_666 ?
Ag7 Cu1 Cu4 68.68(11) . . ?
Ag3 Cu1 Ag3 180.0 . 2_666 ?
Ag3 Cu1 Ag5 63.968(15) 2_666 2_666 ?
Ag3 Cu1 Ag5 116.031(15) . 2_666 ?
Ag3 Cu1 Ag5 63.968(14) . . ?
Ag3 Cu1 Ag5 116.033(15) 2_666 . ?
Ag3 Cu1 Ag4 62.44(2) . . ?
Ag3 Cu1 Ag4 62.45(2) 2_666 2_666 ?
Ag3 Cu1 Ag4 117.56(2) 2_666 . ?
Ag3 Cu1 Ag4 117.55(2) . 2_666 ?
Ag5 Cu1 Ag5 180.0 2_666 . ?
Ag5 Cu1 Ag4 126.41(2) 2_666 2_666 ?
Ag5 Cu1 Ag4 126.41(2) . . ?
Ag5 Cu1 Ag4 53.59(2) 2_666 . ?
Ag5 Cu1 Ag4 53.59(2) . 2_666 ?
Ag4 Cu1 Ag4 180.0 . 2_666 ?
C1 Cu1 Ag7 119.1(2) 2_666 . ?
C1 Cu1 Ag7 119.1(2) . 2_666 ?
C1 Cu1 Ag7 60.9(2) . . ?
C1 Cu1 Ag7 60.9(2) 2_666 2_666 ?
C1 Cu1 Ag3 72.2(2) 2_666 . ?
C1 Cu1 Ag3 107.8(2) . . ?
C1 Cu1 Ag3 72.2(2) . 2_666 ?
C1 Cu1 Ag3 107.8(2) 2_666 2_666 ?
C1 Cu1 Ag5 102.7(2) 2_666 . ?
C1 Cu1 Ag5 102.7(2) . 2_666 ?
C1 Cu1 Ag5 77.3(2) . . ?
C1 Cu1 Ag5 77.3(2) 2_666 2_666 ?
C1 Cu1 Ag4 60.2(2) 2_666 . ?
C1 Cu1 Ag4 119.8(2) 2_666 2_666 ?
C1 Cu1 Ag4 119.8(2) . . ?
C1 Cu1 Ag4 60.2(2) . 2_666 ?
C1 Cu1 C1 180.0 2_666 . ?
C1 Cu1 Cu4 129.2(2) 2_666 2_666 ?
C1 Cu1 Cu4 50.8(2) 2_666 . ?
C1 Cu1 Cu4 129.2(2) . . ?
C1 Cu1 Cu4 50.8(2) . 2_666 ?
Cu4 Cu1 Ag3 116.82(14) 2_666 . ?
Cu4 Cu1 Ag3 63.17(14) . . ?
Cu4 Cu1 Ag5 126.06(14) . . ?
Cu4 Cu1 Ag5 53.93(14) 2_666 . ?
Cu4 Cu1 Cu4 180.0 . 2_666 ?
N2 N1 Ag6 115.3(5) . . ?
C10 N1 Ag6 135.0(6) . . ?
C10 N1 N2 109.4(7) . . ?
N1 N2 Ag5 116.9(5) . . ?
C12 N2 Ag5 135.9(6) . . ?
C12 N2 N1 105.6(6) . . ?
N5 N6 Ag4 117.0(4) . . ?
N5 N6 C30 108.1(6) . . ?
N5 N6 Cu4 111.7(5) . . ?
C30 N6 Ag4 134.8(6) . . ?
C30 N6 Cu4 137.6(6) . . ?
N6 N5 Ag3 114.2(4) . . ?
C28 N5 Ag3 138.5(5) . . ?
C28 N5 N6 107.3(6) . . ?
N4 N3 Ag7 115.4(5) . 2_666 ?
N4 N3 C23 108.0(7) . . ?
C23 N3 Ag7 136.6(6) . 2_666 ?
N3 N4 Ag2 117.7(5) . . ?
N3 N4 C25 108.4(7) . . ?
C25 N4 Ag2 133.7(6) . . ?
C4 C3 C2 118.0(8) . . ?
C4 C3 C8 119.1(8) . . ?
C8 C3 C2 122.9(8) . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.6(9) . . ?
C5 C4 H4 120.2 . . ?
C30 C29 H29 128.3 . . ?
C28 C29 H29 128.3 . . ?
C28 C29 C30 103.5(7) . . ?
Ag3 C14 Ag5 89.5(3) . . ?
Ag2 C14 Ag3 90.4(3) . . ?
Ag2 C14 Ag5 80.4(3) . . ?
C15 C14 Ag3 108.9(6) . . ?
C15 C14 Ag5 119.6(6) . . ?
C15 C14 Ag2 151.3(7) . . ?
Cu1 C1 Ag7 78.0(2) . . ?
Cu1 C1 Cu4 87.5(4) . 2_666 ?
C2 C1 Ag7 106.8(5) . . ?
C2 C1 Cu1 174.6(6) . . ?
C2 C1 Cu4 88.0(5) . 2_666 ?
Cu4 C1 Ag7 163.6(4) 2_666 . ?
C14 C15 C16 177.0(9) . . ?
C10 C11 H11 127.9 . . ?
C12 C11 H11 127.9 . . ?
C12 C11 C10 104.2(7) . . ?
C23 C24 H24 128.1 . . ?
C25 C24 H24 128.1 . . ?
C25 C24 C23 103.9(8) . . ?
C32 C33 C34 171.0(10) . . ?
Ag3 C32 Ag7 99.1(3) . . ?
Ag6 C32 Ag7 85.5(3) . . ?
Ag6 C32 Ag3 80.0(3) . . ?
C33 C32 Ag7 102.8(6) . . ?
C33 C32 Ag3 119.5(6) . . ?
C33 C32 Ag6 156.5(7) . . ?
N1 C10 C11 109.7(8) . . ?
N1 C10 C9 122.6(8) . . ?
C11 C10 C9 127.7(8) . . ?
C3 C2 Cu4 116.6(5) . 2_666 ?
C1 C2 C3 178.9(8) . . ?
C1 C2 Cu4 62.6(5) . 2_666 ?
N6 C30 C29 110.1(7) . . ?
N6 C30 C31 120.4(8) . . ?
C29 C30 C31 129.5(8) . . ?
C3 C8 H8 120.0 . . ?
C7 C8 C3 120.1(11) . . ?
C7 C8 H8 120.0 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.5(10) . . ?
C6 C5 H5 120.3 . . ?
N5 C28 C29 111.0(8) . . ?
N5 C28 C27 120.3(7) . . ?
C29 C28 C27 128.7(8) . . ?
N3 C23 C24 109.0(8) . . ?
N3 C23 C22 120.5(8) . . ?
C24 C23 C22 130.5(8) . . ?
F18 C27 F16 106.1(8) . . ?
F18 C27 C28 113.6(7) . . ?
F16 C27 C28 111.4(8) . . ?
F17 C27 F18 106.8(9) . . ?
F17 C27 F16 105.2(8) . . ?
F17 C27 C28 113.1(8) . . ?
C17 C16 C15 120.0(8) . . ?
C17 C16 C21 118.9(9) . . ?
C21 C16 C15 121.1(9) . . ?
N2 C12 C11 111.1(8) . . ?
N2 C12 C13 119.3(7) . . ?
C11 C12 C13 129.6(8) . . ?
Ag5 C40 Ag7 96.3(3) 2_666 . ?
Ag5 C40 Cu4 70.6(3) 2_666 . ?
Ag4 C40 Ag7 84.7(4) . . ?
Ag4 C40 Ag5 82.9(4) . 2_666 ?
C41 C40 Ag7 105.8(8) . . ?
C41 C40 Ag5 120.1(9) . 2_666 ?
C41 C40 Ag4 152.4(8) . . ?
C41 C40 Cu4 164.1(8) . . ?
Cu4 C40 Ag7 83.2(4) . . ?
F12 C22 F10 107.4(8) . . ?
F12 C22 F11 105.3(7) . . ?
F12 C22 C23 112.6(9) . . ?
F10 C22 F11 103.4(9) . . ?
F10 C22 C23 114.2(7) . . ?
F11 C22 C23 113.1(8) . . ?
F5 C13 F6 107.3(9) . . ?
F5 C13 F4 104.6(9) . . ?
F5 C13 C12 113.2(8) . . ?
F6 C13 F4 104.8(10) . . ?
F6 C13 C12 114.2(8) . . ?
F4 C13 C12 112.0(8) . . ?
N4 C25 C26 121.2(9) . . ?
C24 C25 N4 110.8(9) . . ?
C24 C25 C26 127.9(9) . . ?
F2 C9 F3 107.8(8) . . ?
F2 C9 F1 108.4(9) . . ?
F2 C9 C10 110.5(9) . . ?
F3 C9 F1 106.8(9) . . ?
F3 C9 C10 113.2(8) . . ?
F1 C9 C10 110.1(8) . . ?
F8 C26 F9 106.9(12) . . ?
F8 C26 F7 103.9(10) . . ?
F8 C26 C25 112.9(11) . . ?
F9 C26 F7 104.0(12) . . ?
F9 C26 C25 115.1(10) . . ?
F7 C26 C25 113.0(11) . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.5(10) . . ?
C18 C17 H17 120.2 . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(10) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.5(11) . . ?
C20 C21 H21 119.8 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(12) . . ?
C21 C20 H20 119.8 . . ?
C40 C41 C42 173.1(12) . . ?
F15 C31 C30 113.2(8) . . ?
F14 C31 F15 105.0(7) . . ?
F14 C31 C30 111.5(9) . . ?
F13 C31 F15 106.4(9) . . ?
F13 C31 F14 107.0(8) . . ?
F13 C31 C30 113.3(7) . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.5(9) . . ?
C7 C6 H6 119.8 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(11) . . ?
C19 C18 H18 119.8 . . ?
C8 C7 H7 119.4 . . ?
C6 C7 C8 121.2(11) . . ?
C6 C7 H7 119.4 . . ?
C34 C39 H39 120.0 . . ?
C34 C39 C38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C34 C33 120.0(6) . . ?
C39 C34 C35 120.0 . . ?
C35 C34 C33 120.0(6) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0 . . ?
C38 C37 H37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C37 C38 C39 120.0 . . ?
C37 C38 H38 120.0 . . ?
C45 C46 H46 120.0 . . ?
C45 C46 C47 120.0 . . ?
C47 C46 H46 120.0 . . ?
C46 C45 H45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C44 H44 120.0 . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C43 H43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C42 C41 117.3(8) . . ?
C47 C42 C41 122.6(8) . . ?
C47 C42 C43 120.0 . . ?
C46 C47 H47 120.0 . . ?
C42 C47 C46 120.0 . . ?
C42 C47 H47 120.0 . . ?
Ag3 Cu4 Ag7 70.19(14) . . ?
Ag5 Cu4 Ag7 72.04(15) 2_666 . ?
Ag5 Cu4 Ag3 128.0(2) 2_666 . ?
Ag5 Cu4 Cu1 67.42(14) 2_666 . ?
Cu1 Cu4 Ag7 55.23(12) . . ?
Cu1 Cu4 Ag3 61.99(14) . . ?
N6 Cu4 Ag7 120.6(3) . . ?
N6 Cu4 Ag3 69.2(3) . . ?
N6 Cu4 Ag5 162.8(4) . 2_666 ?
N6 Cu4 Cu1 128.7(3) . . ?
N6 Cu4 C1 106.4(4) . 2_666 ?
N6 Cu4 C2 85.4(3) . 2_666 ?
N6 Cu4 C40 125.2(3) . . ?
C1 Cu4 Ag7 96.6(3) 2_666 . ?
C1 Cu4 Ag3 68.4(3) 2_666 . ?
C1 Cu4 Ag5 82.1(3) 2_666 2_666 ?
C1 Cu4 Cu1 41.6(2) 2_666 . ?
C1 Cu4 C2 29.4(3) 2_666 2_666 ?
C1 Cu4 C40 126.9(4) 2_666 . ?
C2 Cu4 Ag7 125.6(3) 2_666 . ?
C2 Cu4 Ag3 78.4(3) 2_666 . ?
C2 Cu4 Ag5 96.4(2) 2_666 2_666 ?
C2 Cu4 Cu1 71.0(2) 2_666 . ?
C40 Cu4 Ag7 48.6(2) . . ?
C40 Cu4 Ag3 116.4(3) . . ?
C40 Cu4 Ag5 52.4(2) . 2_666 ?
C40 Cu4 Cu1 91.0(3) . . ?
C40 Cu4 C2 148.6(4) . 2_666 ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 500 129 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.895
_oxdiff_exptl_absorpt_empirical_full_min 0.569
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ag118Cu12
_database_code_depnum_ccdc_archive 'CCDC 1899536'
loop_
_audit_author_name
_audit_author_address
'Zhou Lu'
;Jinan University
China
;
_audit_update_record             
;
2019-02-26 deposited with the CCDC.	2020-02-26 downloaded from the CCDC.
;
_audit_creation_date             2019-01-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H46 Ag12.05 Cu0.9 F36 N12'
_chemical_formula_sum            'C94 H46 Ag11.96 Cu F36 N12'
_chemical_formula_weight         3381.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.5019(4)
_cell_length_b                   15.7093(4)
_cell_length_c                   15.9495(6)
_cell_angle_alpha                60.608(3)
_cell_angle_beta                 65.701(3)
_cell_angle_gamma                61.289(3)
_cell_volume                     2888.55(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    10969
_cell_measurement_temperature    100(10)
_cell_measurement_theta_max      75.7240
_cell_measurement_theta_min      5.1270
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    16.992
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       lump
_exptl_crystal_F_000             1609
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30961
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.239
_diffrn_reflns_theta_min         5.558
_diffrn_ambient_temperature      100(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9790
_reflns_number_total             11777
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.833
_refine_diff_density_min         -1.735
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         11777
_refine_ls_number_restraints     359
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0876
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1496P)²+16.6741P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2459
_refine_ls_wR_factor_ref         0.2533
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Shared sites
{Ag07, Cu0A}
{Ag05, Cu1A}
{Cu12, Ag06}
3. Restrained distances
 C2-C1 = C1-C2A
 1.2 with sigma of 0.02
 C17-C2A
 1.5 with sigma of 0.02
 C1-C17
 2.7 with sigma of 0.02
4. Rigid bond restraints
 C01P, C69, C66, C19, C020, C2AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C59, C53, C35, C29, C28, C49
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C12, C64, C65, C75, C17, C24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C33, C54, C48, C56, C39, C61
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1, C2A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C01P \\sim C69 \\sim C66 \\sim C19 \\sim C020 \\sim C2AA: within 1.7A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C59 \\sim C53 \\sim C35 \\sim C29 \\sim C28 \\sim C49: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C12 \\sim C64 \\sim C65 \\sim C75 \\sim C17 \\sim C24: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C33 \\sim C54 \\sim C48 \\sim C56 \\sim C39 \\sim C61: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C1 \\sim C2A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C01P) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C19)
\\sim Ueq, Uanis(C020) \\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C59) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C29)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C12) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C75)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C24) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C33) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C56)
\\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C61) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C1) \\sim Ueq, Uanis(C2A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(Ag07) = Uanis(Cu0A)
Uanis(Ag05) = Uanis(Cu1A)
Uanis(Ag06) = Uanis(Cu12)
Uanis(Cu12) = Uanis(Ag06)
6. Others
 Sof(Ag06)=1-FVAR(1)
 Sof(Cu12)=FVAR(1)
 Fixed Sof: Ag05(0.9) Ag07(0.25) C01P(0.5) H01P(0.5) C69(0.5) H69(0.5)
 C66(0.5) H66(0.5) C19(0.5) H19(0.5) C020(0.5) H020(0.5) C2AA(0.5) C12(0.5)
 H12(0.5) C64(0.5) H64(0.5) C65(0.5) H65(0.5) C75(0.5) H75(0.5) C17(0.5)
 C24(0.5) H24(0.5) C33(0.5) H33(0.5) C54(0.5) H54(0.5) C48(0.5) C56(0.5)
 H56(0.5) C39(0.5) H39(0.5) C61(0.5) H61(0.5) C59(0.5) H59(0.5) C53(0.5)
 C35(0.5) H35(0.5) C29(0.5) H29(0.5) C28(0.5) H28(0.5) C49(0.5) H49(0.5)
 Cu0A(0.25) Cu1A(0.1) C2(0.5) C2A(0.5)
7.a Aromatic/amide H refined with riding coordinates:
 C00W(H00W), C011(H011), C016(H016), C01D(H01D), C01F(H01F), C01J(H01J),
 C01M(H01M), C01N(H01N), C01P(H01P), C69(H69), C66(H66), C19(H19), C020(H020),
 C01R(H01R), C01S(H01S), C01T(H01T), C01V(H01V), C01X(H01X), C12(H12), C64(H64),
  C65(H65), C75(H75), C24(H24), C33(H33), C54(H54), C56(H56), C39(H39),
 C61(H61), C59(H59), C35(H35), C29(H29), C28(H28), C49(H49)
7.b Fitted hexagon refined as free rotating group:
 C01P(C69,C66,C19,C020,C2AA), C12(C64,C65,C75,C17,C24), C33(C54,C48,C56,C39,
 C61), C59(C53,C35,C29,C28,C49)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.500000 0.500000 0.500000 0.0513(3) Uani 0.5 2 d S T P A 1
Ag2 Ag 0.41394(6) 0.63400(6) 0.25237(7) 0.0689(3) Uani 0.9 1 d . . . A 1
Ag3 Ag 0.28520(6) 0.59583(6) 0.46326(6) 0.0670(2) Uani 1 1 d . . . . .
Ag4 Ag 0.32921(8) 0.67404(6) 0.59276(8) 0.0769(4) Uani 0.899(10) 1 d . . . A 4
Ag5 Ag 0.47291(6) 0.41729(6) 0.37583(7) 0.0726(3) Uani 1 1 d . . . . .
Ag6 Ag 0.29802(6) 0.38336(6) 0.58362(6) 0.0661(3) Uani 0.974(4) 1 d . . . A .
Ag7 Ag 0.62796(6) 0.56067(5) 0.30839(5) 0.0604(2) Uani 1 1 d . . . . .
Cu1 Cu 0.500000 0.500000 0.500000 0.0513(3) Uani 0.5 2 d S T P A 2
Cu2 Cu 0.41394(6) 0.63400(6) 0.25237(7) 0.0689(3) Uani 0.1 1 d . . . A 2
Cu4 Cu 0.32921(8) 0.67404(6) 0.59276(8) 0.0769(4) Uani 0.101(10) 1 d . . . A 3
F00A F 0.7979(6) 0.6880(5) 0.1001(6) 0.090(2) Uani 1 1 d . . . . .
F00B F 0.7522(6) 0.8523(6) 0.0247(6) 0.101(3) Uani 1 1 d . . . . .
F00C F 0.2151(7) 0.0978(7) 0.6254(8) 0.113(3) Uani 1 1 d . . . . .
F00G F 0.7195(7) 0.7853(7) 0.1833(6) 0.103(2) Uani 1 1 d . . . . .
F00H F 0.1507(7) 0.9195(6) 0.6283(6) 0.100(2) Uani 1 1 d . . . . .
F00I F 0.0301(8) 0.9348(7) 0.2900(8) 0.121(3) Uani 1 1 d . . . . .
F00K F 0.2795(6) 0.9386(7) 0.5125(8) 0.108(3) Uani 1 1 d . . . . .
F00L F 0.2800(8) 0.0977(8) 0.7216(7) 0.108(3) Uani 1 1 d . . . . .
F00M F 0.5721(10) 0.0864(8) 0.3318(8) 0.146(5) Uani 1 1 d . . . . .
F00N F 0.0306(8) 0.7856(9) 0.3895(7) 0.121(3) Uani 1 1 d . . . . .
F00O F 0.6141(8) 0.1997(11) 0.3201(9) 0.146(5) Uani 1 1 d . . . . .
F00R F 0.1718(7) 0.2379(7) 0.6482(9) 0.139(4) Uani 1 1 d . . . . .
F00S F 0.3975(8) 0.9429(9) -0.0494(9) 0.155(5) Uani 1 1 d . . . . .
F01H F 0.4021(11) 0.7976(10) -0.0093(13) 0.186(7) Uani 1 1 d . . . . .
F008 F 0.1337(6) 1.0541(5) 0.4940(7) 0.097(2) Uani 1 1 d . . . . .
F009 F 0.1585(5) 0.8025(7) 0.2737(6) 0.094(2) Uani 1 1 d . . . . .
F015 F 0.3147(8) 0.8782(14) 0.0864(8) 0.182(7) Uani 1 1 d . . . . .
F017 F 0.5040(11) 0.2366(11) 0.2532(7) 0.197(8) Uani 1 1 d . . . . .
N00D N 0.1977(5) 0.7637(6) 0.4528(6) 0.0550(18) Uani 1 1 d . . . . .
N00E N 0.5031(7) 0.7285(6) 0.1507(7) 0.068(2) Uani 1 1 d . . . . .
N00F N 0.2251(6) 0.7938(6) 0.5033(6) 0.060(2) Uani 1 1 d . . . . .
N00J N 0.5872(7) 0.7064(6) 0.1712(6) 0.064(2) Uani 1 1 d . . . . .
N00P N 0.3563(7) 0.2627(6) 0.5293(7) 0.067(2) Uani 1 1 d . . . . .
N00Q N 0.4356(7) 0.2696(6) 0.4490(7) 0.064(2) Uani 1 1 d . . . . .
C00T C 0.1287(7) 0.8503(8) 0.4038(8) 0.063(2) Uani 1 1 d . . . . .
C00U C 0.1705(7) 0.8970(7) 0.4856(8) 0.062(2) Uani 1 1 d . . . . .
C00V C 0.4215(8) 0.8529(7) 0.3210(8) 0.071(3) Uani 1 1 d . . . . .
C00W C 0.1080(7) 0.9357(7) 0.4230(8) 0.063(2) Uani 1 1 d . . . . .
H00W H 0.062025 1.004558 0.399083 0.075 Uiso 1 1 calc R . . . .
C00X C 0.4535(8) 0.7388(7) 0.3776(7) 0.061(2) Uani 1 1 d . . . . .
C00Y C 0.4874(10) 0.8158(9) 0.0696(9) 0.080(3) Uani 1 1 d . . . . .
C00Z C 0.2533(8) 0.5200(9) 0.3469(9) 0.069(3) Uani 1 1 d . . . . .
C1 C 0.3748(8) 0.5718(7) 0.7262(7) 0.062(2) Uani 1 1 d D U . . .
C01A C 0.1774(9) 0.4840(9) 0.3643(10) 0.079(3) Uani 1 1 d . . . . .
C01B C 0.6280(9) 0.7817(8) 0.1011(7) 0.069(3) Uani 1 1 d . . . . .
C01C C 0.4572(9) 0.1914(8) 0.4208(8) 0.066(3) Uani 1 1 d . . . . .
C01D C 0.4628(14) 0.9136(11) 0.3198(12) 0.098(4) Uani 1 1 d . . . . .
H01D H 0.516708 0.882211 0.351378 0.117 Uiso 1 1 calc R . . . .
C01E C 0.5391(11) 0.1785(8) 0.3310(10) 0.077(3) Uani 1 1 d . . . . .
C01F C 0.3482(8) 0.8997(8) 0.2702(8) 0.073(3) Uani 1 1 d . . . . .
H01F H 0.320884 0.857436 0.269432 0.088 Uiso 1 1 calc R . . . .
C01J C 0.3526(14) 1.0660(10) 0.2231(10) 0.096(5) Uani 1 1 d . . . . .
H01J H 0.328091 1.139546 0.190018 0.115 Uiso 1 1 calc R . . . .
C01K C 0.2503(12) 0.1549(12) 0.6384(14) 0.095(5) Uani 1 1 d . . . . .
C01L C 0.3194(8) 0.5476(8) 0.3385(8) 0.065(3) Uani 1 1 d . . . . .
C01M C 0.3951(9) 0.1347(8) 0.4836(10) 0.074(3) Uani 1 1 d . . . . .
H01M H 0.395974 0.074774 0.481804 0.089 Uiso 1 1 calc R . . . .
C01N C 0.2008(11) 0.3832(11) 0.3742(13) 0.096(4) Uani 1 1 d . . . . .
H01N H 0.269492 0.338459 0.365632 0.115 Uiso 1 1 calc R . . . .
C01O C 0.1838(9) 0.9525(9) 0.5290(10) 0.077(3) Uani 1 1 d . . . . .
C01P C 0.048(2) 0.7152(16) 0.7066(17) 0.132(16) Uani 0.5 1 d . U . B 1
H01P H 0.083129 0.749218 0.643462 0.158 Uiso 0.5 1 calc R . . B 1
C01R C 0.0790(11) 0.5507(13) 0.3667(16) 0.115(6) Uani 1 1 d . . . . .
H01R H 0.062738 0.620955 0.356874 0.138 Uiso 1 1 calc R . . . .
C01S C 0.0285(13) 0.4131(15) 0.4010(15) 0.113(6) Uani 1 1 d . . . . .
H01S H -0.023311 0.388248 0.416475 0.136 Uiso 1 1 calc R . . . .
C01T C 0.0031(13) 0.5183(14) 0.3831(17) 0.127(7) Uani 1 1 d . . . . .
H01T H -0.064348 0.565761 0.382339 0.152 Uiso 1 1 calc R . . . .
C01U C 0.4018(15) 0.8570(12) 0.0266(13) 0.107(5) Uani 1 1 d . . . . .
C01V C 0.1253(14) 0.3464(13) 0.3966(14) 0.108(5) Uani 1 1 d . . . . .
H01V H 0.141473 0.275442 0.408674 0.129 Uiso 1 1 calc R . . . .
C01X C 0.4248(16) 1.0233(11) 0.2714(13) 0.109(5) Uani 1 1 d . . . . .
H01X H 0.450578 1.066090 0.273285 0.131 Uiso 1 1 calc R . . . .
C2 C 0.3424(19) 0.539(2) 0.8133(15) 0.070(8) Uani 0.5 1 d D . . A 2
C2A C 0.3768(14) 0.542(2) 0.8104(10) 0.061(7) Uani 0.5 1 d D U . A 1
C2AA C 0.0792(17) 0.6069(16) 0.7472(16) 0.083(11) Uani 0.5 1 d G U . B 1
C010 C 0.1631(7) 0.5563(8) 0.6817(8) 0.061(2) Uani 1 1 d . . . . .
C011 C 0.5678(10) 0.8508(9) 0.0350(8) 0.083(4) Uani 1 1 d . . . . .
H011 H 0.578389 0.909596 -0.021874 0.100 Uiso 1 1 calc R . . . .
C012 C 0.4773(8) 0.6463(8) 0.4220(8) 0.066(3) Uani 1 1 d . . . . .
C12 C 0.314(3) 0.4076(18) 1.0902(11) 0.142(11) Uani 0.5 1 d . U . A 1
H12 H 0.292888 0.350577 1.138054 0.170 Uiso 0.5 1 calc R . . A 1
C013 C 0.2254(8) 0.5060(8) 0.6341(8) 0.064(2) Uani 1 1 d . . . . .
C014 C 0.3319(11) 0.1830(9) 0.5493(10) 0.082(4) Uani 1 1 d . . . . .
C016 C 0.3123(10) 1.0057(9) 0.2201(9) 0.084(4) Uani 1 1 d . . . . .
H016 H 0.261644 1.036639 0.184578 0.101 Uiso 1 1 calc R . . . .
C17 C 0.359(3) 0.5164(19) 0.9202(9) 0.153(13) Uani 0.5 1 d DG U . A 1
C018 C 0.0882(9) 0.8418(9) 0.3394(9) 0.076(3) Uani 1 1 d . . . . .
C019 C 0.7224(11) 0.7771(9) 0.1040(9) 0.081(4) Uani 1 1 d . . . . .
C19 C -0.0567(18) 0.6158(19) 0.8915(15) 0.113(12) Uani 0.5 1 d G U . B 1
H19 H -0.092282 0.581793 0.954718 0.136 Uiso 0.5 1 calc R . . B 1
C020 C 0.0271(17) 0.5572(13) 0.8397(17) 0.113(13) Uani 0.5 1 d G U . B 1
H020 H 0.048723 0.483211 0.867391 0.136 Uiso 0.5 1 calc R . . B 1
C24 C 0.328(2) 0.4330(16) 0.9902(13) 0.120(10) Uani 0.5 1 d G U . A 1
H24 H 0.315063 0.393228 0.969660 0.144 Uiso 0.5 1 calc R . . A 1
C28 C -0.0702(17) 0.7366(18) 0.8470(16) 0.137(15) Uani 0.5 1 d G U . B 2
H28 H -0.124134 0.774600 0.886163 0.165 Uiso 0.5 1 calc R . . B 2
C29 C -0.0639(12) 0.7730(14) 0.7465(17) 0.070(5) Uani 0.5 1 d G U . B 2
H29 H -0.113611 0.835946 0.716942 0.083 Uiso 0.5 1 calc R . . B 2
C33 C 0.4371(19) 0.405(3) 1.045(2) 0.146(11) Uani 0.5 1 d . U . A 2
H33 H 0.491151 0.390314 1.068936 0.176 Uiso 0.5 1 calc R . . A 2
C35 C 0.0151(14) 0.7174(15) 0.6892(12) 0.055(4) Uani 0.5 1 d G U . B 2
H35 H 0.019335 0.742338 0.620497 0.066 Uiso 0.5 1 calc R . . B 2
C39 C 0.280(2) 0.389(3) 1.0727(18) 0.135(11) Uani 0.5 1 d G U . A 2
H39 H 0.226077 0.363508 1.116349 0.162 Uiso 0.5 1 calc R . . A 2
C48 C 0.357(2) 0.484(2) 0.9095(15) 0.118(9) Uani 0.5 1 d G U . A 2
C49 C 0.003(2) 0.645(2) 0.8902(12) 0.160(16) Uani 0.5 1 d G U . B 2
H49 H -0.001710 0.619644 0.958941 0.192 Uiso 0.5 1 calc R . . B 2
C53 C 0.0878(15) 0.6254(14) 0.7324(13) 0.066(7) Uani 0.5 1 d G U . B 2
C54 C 0.4365(19) 0.463(3) 0.9451(19) 0.140(11) Uani 0.5 1 d G U . A 2
H54 H 0.490109 0.488193 0.901529 0.168 Uiso 0.5 1 calc R . . A 2
C56 C 0.2791(19) 0.447(3) 0.9733(19) 0.130(10) Uani 0.5 1 d G U . A 2
H56 H 0.225036 0.461386 0.948942 0.156 Uiso 0.5 1 calc R . . A 2
C59 C 0.0815(18) 0.5889(16) 0.8329(13) 0.134(14) Uani 0.5 1 d . U . B 2
H59 H 0.131238 0.526034 0.862494 0.161 Uiso 0.5 1 calc R . . B 2
C61 C 0.359(2) 0.368(3) 1.1084(15) 0.148(12) Uani 0.5 1 d G U . A 2
H61 H 0.359133 0.327971 1.176347 0.177 Uiso 0.5 1 calc R . . A 2
C64 C 0.333(3) 0.466(2) 1.1202(11) 0.161(12) Uani 0.5 1 d G U . A 1
H64 H 0.323607 0.448436 1.188597 0.193 Uiso 0.5 1 calc R . . A 1
C65 C 0.364(3) 0.549(2) 1.0502(18) 0.177(13) Uani 0.5 1 d G U . A 1
H65 H 0.376501 0.588944 1.070749 0.212 Uiso 0.5 1 calc R . . A 1
C66 C -0.088(2) 0.7241(18) 0.851(2) 0.161(19) Uani 0.5 1 d G U . B 1
H66 H -0.145582 0.764086 0.886418 0.194 Uiso 0.5 1 calc R . . B 1
C69 C -0.036(2) 0.7738(13) 0.759(2) 0.171(19) Uani 0.5 1 d G U . B 1
H69 H -0.057877 0.847799 0.730790 0.205 Uiso 0.5 1 calc R . . B 1
C75 C 0.377(3) 0.575(2) 0.9502(16) 0.171(13) Uani 0.5 1 d G U . A 1
H75 H 0.398676 0.631594 0.902358 0.205 Uiso 0.5 1 calc R . . A 1


_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 C012 1.931(11) . ?
Ag1 C012 1.931(11) 2_666 ?
Ag2 N00E 2.123(9) . ?
Ag2 C01L 2.074(12) . ?
Ag3 Ag1 3.1018(9) . ?
Ag3 Ag2 3.0498(12) . ?
Ag3 Ag4 3.2708(13) . ?
Ag3 Ag5 3.3071(10) . ?
Ag3 Ag6 2.8728(11) . ?
Ag3 Cu1 3.1018(9) . ?
Ag3 Cu2 3.0498(12) . ?
Ag3 N00D 2.267(7) . ?
Ag3 C01L 2.246(11) . ?
Ag3 C013 2.383(11) . ?
Ag4 N00F 2.127(9) . ?
Ag4 C1 2.098(10) . ?
Ag5 Ag1 3.0857(10) . ?
Ag5 Ag2 2.8660(11) . ?
Ag5 Ag4 2.8371(13) 2_666 ?
Ag5 Cu1 3.0857(10) . ?
Ag5 Cu2 2.8660(11) . ?
Ag5 N00Q 2.270(8) . ?
Ag5 C1 2.282(10) 2_666 ?
Ag5 C01L 2.345(10) . ?
Ag6 Ag5 3.2982(12) . ?
Ag6 N00P 2.116(8) . ?
Ag6 C013 2.078(9) . ?
Ag7 Ag1 2.8551(7) . ?
Ag7 Ag2 3.3000(12) . ?
Ag7 Ag4 3.0537(10) 2_666 ?
Ag7 Ag6 3.0232(12) 2_666 ?
Ag7 Cu1 2.8551(7) . ?
Ag7 N00J 2.293(8) . ?
Ag7 C1 2.422(10) 2_666 ?
Ag7 C012 2.538(10) . ?
Ag7 C013 2.365(12) 2_666 ?
Cu4 C1 2.098(10) . ?
F00A C019 1.336(14) . ?
F00B C019 1.337(13) . ?
F00C C01K 1.375(16) . ?
F00G C019 1.314(16) . ?
F00H C01O 1.349(15) . ?
F00I C018 1.325(13) . ?
F00K C01O 1.320(15) . ?
F00L C01K 1.31(2) . ?
F00M C01E 1.277(13) . ?
F00N C018 1.301(15) . ?
F00O C01E 1.282(16) . ?
F00R C01K 1.313(17) . ?
F00S C01U 1.292(17) . ?
F01H C01U 1.31(2) . ?
F008 C01O 1.324(13) . ?
F009 C018 1.311(13) . ?
F015 C01U 1.29(2) . ?
F017 C01E 1.279(17) . ?
N00D N00F 1.378(12) . ?
N00D C00T 1.361(13) . ?
N00E Cu2 2.123(9) . ?
N00E N00J 1.316(13) . ?
N00E C00Y 1.346(14) . ?
N00F Cu4 2.127(9) . ?
N00F C00U 1.361(11) . ?
N00J C01B 1.376(13) . ?
N00P N00Q 1.364(12) . ?
N00P C014 1.334(14) . ?
N00Q C01C 1.360(13) . ?
C00T C00W 1.380(15) . ?
C00T C018 1.486(18) . ?
C00U C00W 1.393(16) . ?
C00U C01O 1.472(17) . ?
C00V C00X 1.483(13) . ?
C00V C01D 1.37(2) . ?
C00V C01F 1.362(18) . ?
C00W H00W 0.9500 . ?
C00X C012 1.200(14) . ?
C00Y C01U 1.46(2) . ?
C00Y C011 1.40(2) . ?
C00Z C01A 1.414(18) . ?
C00Z C01L 1.229(16) . ?
C1 C2 1.191(18) . ?
C1 C2A 1.194(14) . ?
C01A C01N 1.382(18) . ?
C01A C01R 1.372(18) . ?
C01C C01E 1.498(17) . ?
C01C C01M 1.370(16) . ?
C01D H01D 0.9500 . ?
C01D C01X 1.42(2) . ?
C01F H01F 0.9500 . ?
C01J H01J 0.9500 . ?
C01J C01X 1.33(2) . ?
C01L Cu2 2.074(12) . ?
C01M H01M 0.9500 . ?
C01N H01N 0.9500 . ?
C01N C01V 1.39(2) . ?
C01P H01P 0.9500 . ?
C01P C2AA 1.3900 . ?
C01P C69 1.3900 . ?
C01R H01R 0.9500 . ?
C01R C01T 1.38(2) . ?
C01S H01S 0.9500 . ?
C01S C01T 1.40(2) . ?
C01S C01V 1.35(2) . ?
C01T H01T 0.9500 . ?
C01V H01V 0.9500 . ?
C01X H01X 0.9500 . ?
C010 C2AA 1.457(19) . ?
C010 C013 1.177(14) . ?
C010 C53 1.437(18) . ?
C011 C01B 1.368(18) . ?
C011 H011 0.9500 . ?
C012 Cu1 1.931(11) . ?
C12 H12 0.9500 . ?
C12 C24 1.3900 . ?
C12 C64 1.3900 . ?
C014 C01K 1.502(19) . ?
C014 C01M 1.361(16) . ?
C016 C01F 1.376(15) . ?
C016 C01J 1.39(2) . ?
C016 H016 0.9500 . ?
C17 C2A 1.523(15) . ?
C17 C24 1.3900 . ?
C019 C01B 1.45(2) . ?
C19 H19 0.9500 . ?
C19 C020 1.3900 . ?
C020 C2AA 1.3900 . ?
C020 H020 0.9500 . ?
C24 H24 0.9500 . ?
C28 H28 0.9500 . ?
C28 C49 1.3900 . ?
C29 C28 1.3900 . ?
C29 H29 0.9500 . ?
C33 H33 0.9500 . ?
C33 C54 1.3900 . ?
C33 C61 1.3900 . ?
C35 C29 1.3900 . ?
C35 H35 0.9500 . ?
C39 H39 0.9500 . ?
C39 C61 1.3900 . ?
C48 C2 1.40(3) . ?
C48 C56 1.3900 . ?
C49 H49 0.9500 . ?
C53 C35 1.3900 . ?
C54 C48 1.3900 . ?
C54 H54 0.9500 . ?
C56 C39 1.3900 . ?
C56 H56 0.9500 . ?
C59 C49 1.3900 . ?
C59 C53 1.3900 . ?
C59 H59 0.9500 . ?
C61 H61 0.9500 . ?
C64 H64 0.9500 . ?
C64 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C75 1.3900 . ?
C66 C19 1.3900 . ?
C66 H66 0.9500 . ?
C69 C66 1.3900 . ?
C69 H69 0.9500 . ?
C75 C17 1.3900 . ?
C75 H75 0.9500 . ?

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
Ag3 Ag1 Ag3 180.0 2_666 . ?
Ag5 Ag1 Ag3 64.62(2) . . ?
Ag5 Ag1 Ag3 64.62(2) 2_666 2_666 ?
Ag5 Ag1 Ag3 115.38(2) . 2_666 ?
Ag5 Ag1 Ag3 115.38(2) 2_666 . ?
Ag5 Ag1 Ag5 180.0 . 2_666 ?
Ag7 Ag1 Ag3 75.00(2) 2_666 . ?
Ag7 Ag1 Ag3 105.00(2) . . ?
Ag7 Ag1 Ag3 105.00(2) 2_666 2_666 ?
Ag7 Ag1 Ag3 75.00(2) . 2_666 ?
Ag7 Ag1 Ag5 73.62(2) 2_666 2_666 ?
Ag7 Ag1 Ag5 73.62(2) . . ?
Ag7 Ag1 Ag5 106.38(2) . 2_666 ?
Ag7 Ag1 Ag5 106.38(2) 2_666 . ?
Ag7 Ag1 Ag7 180.0 . 2_666 ?
C012 Ag1 Ag3 105.9(3) 2_666 . ?
C012 Ag1 Ag3 105.9(3) . 2_666 ?
C012 Ag1 Ag3 74.1(3) . . ?
C012 Ag1 Ag3 74.1(3) 2_666 2_666 ?
C012 Ag1 Ag5 74.8(4) 2_666 . ?
C012 Ag1 Ag5 105.2(4) 2_666 2_666 ?
C012 Ag1 Ag5 74.8(4) . 2_666 ?
C012 Ag1 Ag5 105.2(4) . . ?
C012 Ag1 Ag7 119.6(3) . 2_666 ?
C012 Ag1 Ag7 60.4(3) . . ?
C012 Ag1 Ag7 119.6(3) 2_666 . ?
C012 Ag1 Ag7 60.4(3) 2_666 2_666 ?
C012 Ag1 C012 180.0 . 2_666 ?
Ag3 Ag2 Ag7 96.18(3) . . ?
Ag5 Ag2 Ag3 67.89(3) . . ?
Ag5 Ag2 Ag7 70.22(3) . . ?
N00E Ag2 Ag3 137.2(3) . . ?
N00E Ag2 Ag5 130.3(2) . . ?
N00E Ag2 Ag7 65.6(3) . . ?
C01L Ag2 Ag3 47.4(3) . . ?
C01L Ag2 Ag5 53.8(3) . . ?
C01L Ag2 Ag7 120.4(3) . . ?
C01L Ag2 N00E 173.4(4) . . ?
Ag1 Ag3 Ag5 57.46(2) . . ?
Ag2 Ag3 Ag1 78.92(3) . . ?
Ag2 Ag3 Ag5 53.41(2) . . ?
Ag4 Ag3 Ag5 118.40(3) . . ?
Ag6 Ag3 Ag1 79.47(3) . . ?
Ag6 Ag3 Ag2 115.91(3) . . ?
Ag6 Ag3 Ag4 105.40(3) . . ?
Ag6 Ag3 Ag5 64.06(3) . . ?
Ag6 Ag3 Cu1 79.47(3) . . ?
Ag6 Ag3 Cu2 115.91(3) . . ?
Cu1 Ag3 Ag5 57.46(2) . . ?
Cu2 Ag3 Ag5 53.41(2) . . ?
Cu2 Ag3 Cu1 78.92(3) . . ?
N00D Ag3 Ag1 115.8(2) . . ?
N00D Ag3 Ag2 99.0(2) . . ?
N00D Ag3 Ag4 62.6(2) . . ?
N00D Ag3 Ag5 151.55(19) . . ?
N00D Ag3 Ag6 144.37(19) . . ?
N00D Ag3 Cu1 115.8(2) . . ?
N00D Ag3 Cu2 99.0(2) . . ?
N00D Ag3 C013 100.6(3) . . ?
C01L Ag3 Ag1 99.9(3) . . ?
C01L Ag3 Ag2 42.8(3) . . ?
C01L Ag3 Ag4 155.7(3) . . ?
C01L Ag3 Ag5 45.1(2) . . ?
C01L Ag3 Ag6 83.8(3) . . ?
C01L Ag3 Cu1 99.9(3) . . ?
C01L Ag3 Cu2 42.8(3) . . ?
C01L Ag3 N00D 121.5(3) . . ?
C01L Ag3 C013 126.0(4) . . ?
C013 Ag3 Ag1 88.9(3) . . ?
C013 Ag3 Ag2 160.0(2) . . ?
C013 Ag3 Ag4 71.8(3) . . ?
C013 Ag3 Ag5 106.6(2) . . ?
C013 Ag3 Ag6 45.4(2) . . ?
C013 Ag3 Cu1 88.9(3) . . ?
C013 Ag3 Cu2 160.0(2) . . ?
Ag5 Ag4 Ag3 117.61(4) 2_666 . ?
Ag5 Ag4 Ag7 74.36(3) 2_666 2_666 ?
Ag7 Ag4 Ag3 69.99(3) 2_666 . ?
N00F Ag4 Ag3 66.3(2) . . ?
N00F Ag4 Ag5 148.5(2) . 2_666 ?
N00F Ag4 Ag7 130.3(2) . 2_666 ?
C1 Ag4 Ag3 122.1(3) . . ?
C1 Ag4 Ag5 52.5(3) . 2_666 ?
C1 Ag4 Ag7 52.2(3) . 2_666 ?
C1 Ag4 N00F 155.3(4) . . ?
Ag1 Ag5 Ag3 57.93(2) . . ?
Ag1 Ag5 Ag6 73.50(3) . . ?
Ag2 Ag5 Ag1 82.04(3) . . ?
Ag2 Ag5 Ag3 58.69(3) . . ?
Ag2 Ag5 Ag6 108.88(3) . . ?
Ag4 Ag5 Ag3 123.99(4) 2_666 . ?
Ag4 Ag5 Ag6 112.95(4) 2_666 . ?
Ag6 Ag5 Ag3 51.56(2) . . ?
Cu1 Ag5 Ag3 57.93(2) . . ?
Cu1 Ag5 Ag6 73.50(3) . . ?
Cu2 Ag5 Ag3 58.69(3) . . ?
Cu2 Ag5 Ag6 108.88(3) . . ?
Cu2 Ag5 Cu1 82.04(3) . . ?
N00Q Ag5 Ag1 120.5(2) . . ?
N00Q Ag5 Ag2 145.6(2) . . ?
N00Q Ag5 Ag3 109.0(2) . . ?
N00Q Ag5 Ag4 98.2(2) . 2_666 ?
N00Q Ag5 Ag6 60.6(2) . . ?
N00Q Ag5 Cu1 120.5(2) . . ?
N00Q Ag5 Cu2 145.6(2) . . ?
N00Q Ag5 C1 123.7(3) . 2_666 ?
N00Q Ag5 C01L 102.3(4) . . ?
C1 Ag5 Ag1 87.8(3) 2_666 . ?
C1 Ag5 Ag2 79.1(2) 2_666 . ?
C1 Ag5 Ag3 127.0(2) 2_666 . ?
C1 Ag5 Ag4 46.9(3) 2_666 2_666 ?
C1 Ag5 Ag6 157.9(3) 2_666 . ?
C1 Ag5 Cu1 87.8(3) 2_666 . ?
C1 Ag5 Cu2 79.1(2) 2_666 . ?
C1 Ag5 C01L 122.1(4) 2_666 . ?
C01L Ag5 Ag1 98.1(3) . . ?
C01L Ag5 Ag2 45.6(3) . . ?
C01L Ag5 Ag3 42.7(3) . . ?
C01L Ag5 Ag4 158.7(3) . 2_666 ?
C01L Ag5 Ag6 73.2(3) . . ?
C01L Ag5 Cu1 98.1(3) . . ?
C01L Ag5 Cu2 45.6(3) . . ?
Ag3 Ag6 Ag5 64.38(3) . . ?
Ag3 Ag6 Ag7 75.99(3) . 2_666 ?
Ag7 Ag6 Ag5 97.56(3) 2_666 . ?
N00P Ag6 Ag3 125.0(3) . . ?
N00P Ag6 Ag5 67.0(3) . . ?
N00P Ag6 Ag7 135.1(3) . 2_666 ?
C013 Ag6 Ag3 54.7(3) . . ?
C013 Ag6 Ag5 115.6(3) . . ?
C013 Ag6 Ag7 51.3(3) . 2_666 ?
C013 Ag6 N00P 173.6(4) . . ?
Ag1 Ag7 Ag2 78.51(2) . . ?
Ag1 Ag7 Ag4 66.29(3) . 2_666 ?
Ag1 Ag7 Ag6 81.09(3) . 2_666 ?
Ag6 Ag7 Ag2 136.90(3) 2_666 . ?
Ag6 Ag7 Ag4 107.25(3) 2_666 2_666 ?
N00J Ag7 Ag1 128.3(2) . . ?
N00J Ag7 Ag2 61.0(2) . . ?
N00J Ag7 Ag4 145.0(2) . 2_666 ?
N00J Ag7 Ag6 106.6(3) . 2_666 ?
N00J Ag7 Cu1 128.3(2) . . ?
N00J Ag7 C1 101.9(3) . 2_666 ?
N00J Ag7 C012 91.6(3) . . ?
N00J Ag7 C013 125.6(4) . 2_666 ?
C1 Ag7 Ag1 90.7(2) 2_666 . ?
C1 Ag7 Ag2 68.7(3) 2_666 . ?
C1 Ag7 Ag4 43.2(2) 2_666 2_666 ?
C1 Ag7 Ag6 149.1(3) 2_666 2_666 ?
C1 Ag7 Cu1 90.7(2) 2_666 . ?
C1 Ag7 C012 120.4(4) 2_666 . ?
C012 Ag7 Ag1 41.5(3) . . ?
C012 Ag7 Ag2 68.6(3) . . ?
C012 Ag7 Ag4 107.6(3) . 2_666 ?
C012 Ag7 Ag6 71.0(3) . 2_666 ?
C012 Ag7 Cu1 41.5(3) . . ?
C013 Ag7 Ag1 95.4(3) 2_666 . ?
C013 Ag7 Ag2 173.4(3) 2_666 . ?
C013 Ag7 Ag4 76.3(2) 2_666 2_666 ?
C013 Ag7 Ag6 43.3(2) 2_666 2_666 ?
C013 Ag7 Cu1 95.4(3) 2_666 . ?
C013 Ag7 C1 109.0(4) 2_666 2_666 ?
C013 Ag7 C012 108.7(4) 2_666 . ?
Ag3 Cu1 Ag3 180.0 2_666 . ?
Ag5 Cu1 Ag3 115.38(2) 2_666 . ?
Ag5 Cu1 Ag3 64.62(2) . . ?
Ag5 Cu1 Ag3 115.38(2) . 2_666 ?
Ag5 Cu1 Ag3 64.62(2) 2_666 2_666 ?
Ag5 Cu1 Ag5 180.0 . 2_666 ?
Ag7 Cu1 Ag3 105.00(2) . . ?
Ag7 Cu1 Ag3 75.00(2) . 2_666 ?
Ag7 Cu1 Ag3 75.00(2) 2_666 . ?
Ag7 Cu1 Ag3 105.00(2) 2_666 2_666 ?
Ag7 Cu1 Ag5 73.62(2) . . ?
Ag7 Cu1 Ag5 106.38(2) 2_666 . ?
Ag7 Cu1 Ag5 73.62(2) 2_666 2_666 ?
Ag7 Cu1 Ag5 106.38(2) . 2_666 ?
Ag7 Cu1 Ag7 180.0 . 2_666 ?
C012 Cu1 Ag3 105.9(3) . 2_666 ?
C012 Cu1 Ag3 74.1(3) 2_666 2_666 ?
C012 Cu1 Ag3 74.1(3) . . ?
C012 Cu1 Ag3 105.9(3) 2_666 . ?
C012 Cu1 Ag5 74.8(4) . 2_666 ?
C012 Cu1 Ag5 105.2(4) 2_666 2_666 ?
C012 Cu1 Ag5 74.8(4) 2_666 . ?
C012 Cu1 Ag5 105.2(4) . . ?
C012 Cu1 Ag7 119.6(3) . 2_666 ?
C012 Cu1 Ag7 119.6(3) 2_666 . ?
C012 Cu1 Ag7 60.4(3) . . ?
C012 Cu1 Ag7 60.4(3) 2_666 2_666 ?
C012 Cu1 C012 180.0 . 2_666 ?
Ag5 Cu2 Ag3 67.89(3) . . ?
N00E Cu2 Ag3 137.2(3) . . ?
N00E Cu2 Ag5 130.3(2) . . ?
C01L Cu2 Ag3 47.4(3) . . ?
C01L Cu2 Ag5 53.8(3) . . ?
C01L Cu2 N00E 173.4(4) . . ?
Ag5 Cu4 Ag7 74.36(3) 2_666 2_666 ?
N00F Cu4 Ag5 148.5(2) . 2_666 ?
N00F Cu4 Ag7 130.3(2) . 2_666 ?
C1 Cu4 Ag5 52.5(3) . 2_666 ?
C1 Cu4 Ag7 52.2(3) . 2_666 ?
C1 Cu4 N00F 155.3(4) . . ?
N00F N00D Ag3 114.4(6) . . ?
C00T N00D Ag3 138.6(7) . . ?
C00T N00D N00F 106.8(8) . . ?
N00J N00E Ag2 117.4(6) . . ?
N00J N00E Cu2 117.4(6) . . ?
N00J N00E C00Y 109.9(10) . . ?
C00Y N00E Ag2 132.5(9) . . ?
C00Y N00E Cu2 132.5(9) . . ?
N00D N00F Ag4 116.3(5) . . ?
N00D N00F Cu4 116.3(5) . . ?
C00U N00F Ag4 136.1(8) . . ?
C00U N00F Cu4 136.1(8) . . ?
C00U N00F N00D 107.4(8) . . ?
N00E N00J Ag7 115.8(6) . . ?
N00E N00J C01B 107.7(9) . . ?
C01B N00J Ag7 136.5(8) . . ?
N00Q N00P Ag6 114.0(6) . . ?
C014 N00P Ag6 136.5(8) . . ?
C014 N00P N00Q 109.4(9) . . ?
N00P N00Q Ag5 117.7(6) . . ?
C01C N00Q Ag5 134.8(8) . . ?
C01C N00Q N00P 105.4(8) . . ?
N00D C00T C00W 111.5(10) . . ?
N00D C00T C018 118.7(9) . . ?
C00W C00T C018 129.8(10) . . ?
N00F C00U C00W 110.6(10) . . ?
N00F C00U C01O 120.4(10) . . ?
C00W C00U C01O 129.0(9) . . ?
C01D C00V C00X 121.4(12) . . ?
C01F C00V C00X 120.0(11) . . ?
C01F C00V C01D 118.7(11) . . ?
C00T C00W C00U 103.7(9) . . ?
C00T C00W H00W 128.2 . . ?
C00U C00W H00W 128.2 . . ?
C012 C00X C00V 177.7(13) . . ?
N00E C00Y C01U 122.2(13) . . ?
N00E C00Y C011 108.4(12) . . ?
C011 C00Y C01U 129.3(12) . . ?
C01L C00Z C01A 175.7(13) . . ?
Ag5 C1 Ag7 98.5(3) 2_666 2_666 ?
C2A C1 Ag5 110.3(12) . 2_666 ?
C2A C1 Ag7 111.8(17) . 2_666 ?
C01N C01A C00Z 121.3(11) . . ?
C01R C01A C00Z 120.2(12) . . ?
C01R C01A C01N 118.5(14) . . ?
N00J C01B C019 120.2(10) . . ?
C011 C01B N00J 109.2(12) . . ?
C011 C01B C019 130.5(11) . . ?
N00Q C01C C01E 119.8(10) . . ?
N00Q C01C C01M 110.5(10) . . ?
C01M C01C C01E 129.7(10) . . ?
C00V C01D H01D 120.1 . . ?
C00V C01D C01X 119.8(16) . . ?
C01X C01D H01D 120.1 . . ?
F00M C01E F00O 108.6(13) . . ?
F00M C01E F017 103.8(14) . . ?
F00M C01E C01C 111.9(11) . . ?
F00O C01E C01C 113.2(11) . . ?
F017 C01E F00O 108.6(14) . . ?
F017 C01E C01C 110.3(11) . . ?
C00V C01F H01F 118.7 . . ?
C00V C01F C016 122.5(14) . . ?
C016 C01F H01F 118.7 . . ?
C01X C01J H01J 119.2 . . ?
C01X C01J C016 121.6(13) . . ?
C016 C01J H01J 119.2 . . ?
F00C C01K C014 108.6(13) . . ?
F00L C01K F00C 106.5(12) . . ?
F00L C01K F00R 109.2(14) . . ?
F00L C01K C014 114.4(14) . . ?
F00R C01K F00C 105.7(13) . . ?
F00R C01K C014 111.9(13) . . ?
Ag2 C01L Ag3 89.7(5) . . ?
Ag2 C01L Ag5 80.6(4) . . ?
Ag3 C01L Ag5 92.1(4) . . ?
Cu2 C01L Ag3 89.7(5) . . ?
Cu2 C01L Ag5 80.6(4) . . ?
C00Z C01L Ag2 149.9(10) . . ?
C00Z C01L Ag3 111.7(9) . . ?
C00Z C01L Ag5 117.7(8) . . ?
C00Z C01L Cu2 149.9(10) . . ?
C01C C01M H01M 127.5 . . ?
C014 C01M C01C 105.0(10) . . ?
C014 C01M H01M 127.5 . . ?
C01A C01N H01N 119.5 . . ?
C01A C01N C01V 121.0(14) . . ?
C01V C01N H01N 119.5 . . ?
F00H C01O C00U 112.6(10) . . ?
F00K C01O F00H 105.0(12) . . ?
F00K C01O F008 107.9(11) . . ?
F00K C01O C00U 112.6(10) . . ?
F008 C01O F00H 106.9(10) . . ?
F008 C01O C00U 111.4(11) . . ?
C2AA C01P H01P 120.0 . . ?
C69 C01P H01P 120.0 . . ?
C69 C01P C2AA 120.0 . . ?
C01A C01R H01R 119.1 . . ?
C01A C01R C01T 121.7(16) . . ?
C01T C01R H01R 119.1 . . ?
C01T C01S H01S 119.3 . . ?
C01V C01S H01S 119.3 . . ?
C01V C01S C01T 121.4(16) . . ?
C01R C01T C01S 118.0(15) . . ?
C01R C01T H01T 121.0 . . ?
C01S C01T H01T 121.0 . . ?
F00S C01U F01H 101.7(17) . . ?
F00S C01U C00Y 113.5(16) . . ?
F01H C01U C00Y 115.5(14) . . ?
F015 C01U F00S 104.6(15) . . ?
F015 C01U F01H 106.1(19) . . ?
F015 C01U C00Y 114.1(15) . . ?
C01N C01V H01V 120.5 . . ?
C01S C01V C01N 119.0(16) . . ?
C01S C01V H01V 120.5 . . ?
C01D C01X H01X 120.2 . . ?
C01J C01X C01D 119.6(15) . . ?
C01J C01X H01X 120.2 . . ?
C1 C2 C48 151(3) . . ?
C1 C2A C17 170(2) . . ?
C01P C2AA C010 113.9(14) . . ?
C020 C2AA C01P 120.0 . . ?
C020 C2AA C010 125.9(14) . . ?
C013 C010 C2AA 171.5(15) . . ?
C013 C010 C53 175.2(13) . . ?
C00Y C011 H011 127.6 . . ?
C01B C011 C00Y 104.8(10) . . ?
C01B C011 H011 127.6 . . ?
Ag1 C012 Ag7 78.1(3) . . ?
Cu1 C012 Ag7 78.1(3) . . ?
C00X C012 Ag1 173.7(10) . . ?
C00X C012 Ag7 107.1(8) . . ?
C00X C012 Cu1 173.7(10) . . ?
C24 C12 H12 120.0 . . ?
C64 C12 H12 120.0 . . ?
C64 C12 C24 120.0 . . ?
Ag6 C013 Ag3 79.8(3) . . ?
Ag6 C013 Ag7 85.5(4) . 2_666 ?
Ag7 C013 Ag3 99.8(4) 2_666 . ?
C010 C013 Ag3 117.8(8) . . ?
C010 C013 Ag6 157.4(10) . . ?
C010 C013 Ag7 103.8(9) . 2_666 ?
N00P C014 C01K 119.8(11) . . ?
N00P C014 C01M 109.6(11) . . ?
C01M C014 C01K 130.4(11) . . ?
C01F C016 C01J 117.7(14) . . ?
C01F C016 H016 121.1 . . ?
C01J C016 H016 121.1 . . ?
C24 C17 C2A 120(2) . . ?
C75 C17 C2A 120(2) . . ?
C75 C17 C24 120.0 . . ?
F00I C018 C00T 110.8(11) . . ?
F00N C018 F00I 105.2(12) . . ?
F00N C018 F009 107.2(12) . . ?
F00N C018 C00T 112.7(10) . . ?
F009 C018 F00I 106.8(10) . . ?
F009 C018 C00T 113.6(10) . . ?
F00A C019 F00B 105.2(10) . . ?
F00A C019 C01B 112.6(11) . . ?
F00B C019 C01B 110.1(12) . . ?
F00G C019 F00A 105.6(12) . . ?
F00G C019 F00B 108.1(11) . . ?
F00G C019 C01B 114.7(10) . . ?
C020 C19 H19 120.0 . . ?
C66 C19 H19 120.0 . . ?
C66 C19 C020 120.0 . . ?
C2AA C020 C19 120.0 . . ?
C2AA C020 H020 120.0 . . ?
C19 C020 H020 120.0 . . ?
C12 C24 H24 120.0 . . ?
C17 C24 C12 120.0 . . ?
C17 C24 H24 120.0 . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C49 120.0 . . ?
C49 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C35 120.0 . . ?
C35 C29 H29 120.0 . . ?
C54 C33 H33 120.0 . . ?
C54 C33 C61 120.0 . . ?
C61 C33 H33 120.0 . . ?
C29 C35 H35 120.0 . . ?
C53 C35 C29 120.0 . . ?
C53 C35 H35 120.0 . . ?
C56 C39 H39 120.0 . . ?
C61 C39 H39 120.0 . . ?
C61 C39 C56 120.0 . . ?
C54 C48 C2 129.5(19) . . ?
C56 C48 C2 110.5(19) . . ?
C56 C48 C54 120.0 . . ?
C28 C49 H49 120.0 . . ?
C28 C49 C59 120.0 . . ?
C59 C49 H49 120.0 . . ?
C35 C53 C010 123.1(13) . . ?
C35 C53 C59 120.0 . . ?
C59 C53 C010 116.3(13) . . ?
C33 C54 C48 120.0 . . ?
C33 C54 H54 120.0 . . ?
C48 C54 H54 120.0 . . ?
C39 C56 C48 120.0 . . ?
C39 C56 H56 120.0 . . ?
C48 C56 H56 120.0 . . ?
C49 C59 H59 120.0 . . ?
C53 C59 C49 120.0 . . ?
C53 C59 H59 120.0 . . ?
C33 C61 H61 120.0 . . ?
C39 C61 C33 120.0 . . ?
C39 C61 H61 120.0 . . ?
C12 C64 H64 120.0 . . ?
C65 C64 C12 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C75 120.0 . . ?
C75 C65 H65 120.0 . . ?
C19 C66 H66 120.0 . . ?
C19 C66 C69 120.0 . . ?
C69 C66 H66 120.0 . . ?
C01P C69 C66 120.0 . . ?
C01P C69 H69 120.0 . . ?
C66 C69 H69 120.0 . . ?
C17 C75 C65 120.0 . . ?
C17 C75 H75 120.0 . . ?
C65 C75 H75 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
