# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1_ClO4
_database_code_depnum_ccdc_archive 'CCDC 1529136'
_audit_update_record             
;
2017-02-05 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C102 H72 Ag7 Cl7 N36 O28'
_chemical_formula_weight         3253.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   25.4554(3)
_cell_length_b                   25.4554(3)
_cell_length_c                   16.5591(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9292.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10573
_cell_measurement_theta_min      4.3700
_cell_measurement_theta_max      74.2330

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_F_000             3216
_exptl_transmission_factor_min   0.76228
_exptl_transmission_factor_max   1.00000
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    7.211
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.805000
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23276
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.338
_diffrn_reflns_theta_max         74.485
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             12247
_reflns_number_gt                9981
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0525P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12247
_refine_ls_number_parameters     541
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0948
_refine_ls_wR_factor_gt          0.0918
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47137(2) 0.06810(2) 0.59154(2) 0.04579(8) Uani 1 1 d . . . . .
Ag2 Ag 0.52423(2) 0.43708(2) 0.81875(2) 0.02878(6) Uani 1 1 d . . . . .
Ag3 Ag 0.333333 0.666667 0.83459(2) 0.03347(9) Uani 1 3 d S T P . .
N1 N 0.45278(14) 0.14221(12) 0.55580(15) 0.0391(6) Uani 1 1 d . . . . .
N2 N 0.53354(12) 0.16230(11) 0.68473(14) 0.0312(5) Uani 1 1 d . . . . .
N3 N 0.55443(11) 0.16884(11) 0.76303(14) 0.0297(5) Uani 1 1 d . . . . .
N4 N 0.49769(11) 0.21113(10) 0.75384(14) 0.0288(5) Uani 1 1 d . . . . .
N5 N 0.57146(19) 0.23282(17) 1.05553(18) 0.0596(9) Uani 1 1 d . . . . .
N6 N 0.46474(11) 0.33310(11) 0.79673(15) 0.0311(5) Uani 1 1 d . . . . .
N7 N 0.54844(11) 0.57731(11) 0.53022(14) 0.0307(5) Uani 1 1 d . . . . .
N8 N 0.51850(12) 0.51818(11) 0.67936(14) 0.0289(5) Uani 1 1 d . . . . .
N9 N 0.51070(11) 0.50874(11) 0.76109(14) 0.0282(5) Uani 1 1 d . . . . .
N10 N 0.49253(10) 0.58135(10) 0.73044(13) 0.0246(4) Uani 1 1 d . . . . .
N11 N 0.47252(11) 0.56108(11) 1.04260(14) 0.0289(5) Uani 1 1 d . . . . .
N12 N 0.42338(10) 0.67221(10) 0.79119(15) 0.0286(5) Uani 1 1 d . . . . .
C1 C 0.46975(15) 0.19018(14) 0.60575(17) 0.0351(6) Uani 1 1 d . . . . .
C2 C 0.4245(2) 0.14132(16) 0.4869(2) 0.0514(9) Uani 1 1 d . . . . .
H2 H 0.413549 0.109211 0.451316 0.062 Uiso 1 1 calc R U . . .
C3 C 0.41090(19) 0.18534(17) 0.4664(2) 0.0514(9) Uani 1 1 d . . . . .
H3 H 0.389730 0.182116 0.419142 0.062 Uiso 1 1 calc R U . . .
C4 C 0.4290(2) 0.23431(17) 0.5167(2) 0.0508(9) Uani 1 1 d . . . . .
H4 H 0.420976 0.265137 0.503798 0.061 Uiso 1 1 calc R U . . .
C5 C 0.45936(18) 0.23685(16) 0.5866(2) 0.0458(8) Uani 1 1 d . . . . .
H5 H 0.472853 0.270056 0.620903 0.055 Uiso 1 1 calc R U . . .
C6 C 0.50022(14) 0.18786(12) 0.68019(16) 0.0295(6) Uani 1 1 d . . . . .
C7 C 0.53248(13) 0.19790(12) 0.80374(17) 0.0287(5) Uani 1 1 d . . . . .
C8 C 0.54494(15) 0.21305(13) 0.89015(17) 0.0318(6) Uani 1 1 d . . . . .
C9 C 0.60199(15) 0.22876(14) 0.91988(19) 0.0377(7) Uani 1 1 d . . . . .
H9 H 0.632672 0.233474 0.884969 0.045 Uiso 1 1 calc R U . . .
C10 C 0.61256(19) 0.23729(16) 1.0019(2) 0.0458(8) Uani 1 1 d . . . . .
H10 H 0.650676 0.246730 1.020903 0.055 Uiso 1 1 calc R U . . .
C11 C 0.5168(2) 0.2181(2) 1.0261(2) 0.0640(12) Uani 1 1 d . . . . .
H11 H 0.487249 0.214167 1.062554 0.077 Uiso 1 1 calc R U . . .
C12 C 0.50101(19) 0.2081(2) 0.9447(2) 0.0510(9) Uani 1 1 d . . . . .
H12 H 0.462477 0.198560 0.927372 0.061 Uiso 1 1 calc R U . . .
C13 C 0.46366(13) 0.24020(13) 0.77403(17) 0.0292(6) Uani 1 1 d . . . . .
C14 C 0.49388(13) 0.30253(12) 0.77991(16) 0.0265(5) Uani 1 1 d . . . . .
H14 H 0.535640 0.324111 0.772031 0.032 Uiso 1 1 calc R U . . .
C15 C 0.40464(15) 0.30044(16) 0.8079(2) 0.0423(7) Uani 1 1 d . . . . .
H15 H 0.383944 0.321077 0.819089 0.051 Uiso 1 1 calc R U . . .
C16 C 0.37155(16) 0.23781(17) 0.8037(3) 0.0509(9) Uani 1 1 d . . . . .
H16 H 0.329901 0.217110 0.812601 0.061 Uiso 1 1 calc R U . . .
C17 C 0.40161(16) 0.20655(15) 0.7860(2) 0.0436(8) Uani 1 1 d . . . . .
H17 H 0.380872 0.164459 0.782224 0.052 Uiso 1 1 calc R U . . .
C18 C 0.50726(13) 0.58084(12) 0.57760(16) 0.0269(5) Uani 1 1 d . . . . .
C19 C 0.54796(15) 0.58989(14) 0.45153(17) 0.0357(6) Uani 1 1 d . . . . .
H19 H 0.575978 0.587830 0.417586 0.043 Uiso 1 1 calc R U . . .
C20 C 0.50809(17) 0.60569(14) 0.41852(17) 0.0387(7) Uani 1 1 d . . . . .
H20 H 0.509767 0.614536 0.363773 0.046 Uiso 1 1 calc R U . . .
C21 C 0.46568(16) 0.60822(14) 0.46766(19) 0.0385(7) Uani 1 1 d . . . . .
H21 H 0.437968 0.618229 0.446525 0.046 Uiso 1 1 calc R U . . .
C22 C 0.46514(14) 0.59555(14) 0.54918(18) 0.0336(6) Uani 1 1 d . . . . .
H22 H 0.437136 0.596908 0.583911 0.040 Uiso 1 1 calc R U . . .
C23 C 0.50719(12) 0.56199(12) 0.66187(16) 0.0253(5) Uani 1 1 d . . . . .
C24 C 0.49549(12) 0.54636(12) 0.79099(16) 0.0260(5) Uani 1 1 d . . . . .
C25 C 0.48562(12) 0.55253(13) 0.87774(16) 0.0258(5) Uani 1 1 d . . . . .
C26 C 0.44365(13) 0.50246(13) 0.92066(17) 0.0282(5) Uani 1 1 d . . . . .
H26 H 0.419372 0.465552 0.894977 0.034 Uiso 1 1 calc R U . . .
C27 C 0.43872(13) 0.50872(13) 1.00290(17) 0.0294(6) Uani 1 1 d . . . . .
H27 H 0.410668 0.475064 1.032034 0.035 Uiso 1 1 calc R U . . .
C28 C 0.51212(14) 0.60951(13) 0.99950(17) 0.0319(6) Uani 1 1 d . . . . .
H28 H 0.535212 0.646197 1.026253 0.038 Uiso 1 1 calc R U . . .
C29 C 0.52018(14) 0.60744(14) 0.91742(17) 0.0318(6) Uani 1 1 d . . . . .
H29 H 0.548006 0.641886 0.889392 0.038 Uiso 1 1 calc R U . . .
C30 C 0.48401(12) 0.63257(12) 0.73986(15) 0.0248(5) Uani 1 1 d . . . . .
C31 C 0.43207(12) 0.62534(12) 0.77755(16) 0.0254(5) Uani 1 1 d . . . . .
H31 H 0.402456 0.586750 0.793786 0.031 Uiso 1 1 calc R U . . .
C32 C 0.46724(15) 0.72741(13) 0.7679(2) 0.0363(7) Uani 1 1 d . . . . .
H32 H 0.462317 0.760536 0.778789 0.044 Uiso 1 1 calc R U . . .
C33 C 0.51963(15) 0.73756(14) 0.7284(2) 0.0410(7) Uani 1 1 d . . . . .
H33 H 0.548106 0.776404 0.711440 0.049 Uiso 1 1 calc R U . . .
C34 C 0.52896(14) 0.68945(13) 0.71450(19) 0.0340(6) Uani 1 1 d . . . . .
H34 H 0.563951 0.694883 0.689176 0.041 Uiso 1 1 calc R U . . .
Cl2 Cl 0.33804(4) 0.42818(5) 0.73206(6) 0.0563(2) Uani 1 1 d . . . . .
O5 O 0.3710(2) 0.4009(2) 0.7537(3) 0.1023(13) Uani 1 1 d . U . . .
O6 O 0.27774(14) 0.38703(13) 0.70520(19) 0.0619(7) Uani 1 1 d . . . . .
O7 O 0.33810(16) 0.46703(16) 0.7929(2) 0.0746(9) Uani 1 1 d . U . . .
O8 O 0.3731(2) 0.4714(2) 0.6655(3) 0.1044(13) Uani 1 1 d . U . . .
Cl1 Cl 0.36831(4) 0.03870(4) 0.79070(5) 0.04546(18) Uani 1 1 d . . . . .
O1 O 0.39308(17) 0.07024(16) 0.7161(2) 0.0782(9) Uani 1 1 d . U . . .
O2 O 0.34973(15) -0.02319(12) 0.7811(2) 0.0649(8) Uani 1 1 d . . . . .
O3 O 0.31915(16) 0.04728(16) 0.8113(2) 0.0751(9) Uani 1 1 d . U . . .
O4 O 0.41537(18) 0.06644(18) 0.8486(2) 0.0875(10) Uani 1 1 d . U . . .
Cl3 Cl 0.666667 0.333333 0.68188(8) 0.0379(3) Uani 1 3 d S T P . .
O9 O 0.60863(12) 0.32117(14) 0.6542(2) 0.0610(7) Uani 1 1 d . U . . .
O10 O 0.666667 0.333333 0.7675(5) 0.0998(17) Uani 1 3 d S TU P . .


_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 N1 2.242(3) . ?
Ag1 N7 2.367(2) 2_655 ?
Ag1 N8 2.371(2) 2_655 ?
Ag1 N2 2.616(2) . ?
Ag2 N9 2.233(2) . ?
Ag2 N11 2.297(2) 4_667 ?
Ag2 N6 2.329(2) . ?
Ag2 N3 2.382(2) 3_665 ?
Ag3 N12 2.338(2) 2_665 ?
Ag3 N12 2.338(2) 3_565 ?
Ag3 N12 2.338(2) . ?
N1 C2 1.344(4) . ?
N1 C1 1.354(4) . ?
N2 C6 1.304(4) . ?
N2 N3 1.379(3) . ?
N3 C7 1.314(4) . ?
N4 C7 1.371(4) . ?
N4 C6 1.371(4) . ?
N4 C13 1.432(4) . ?
N5 C10 1.333(5) . ?
N5 C11 1.339(6) . ?
N6 C15 1.339(4) . ?
N6 C14 1.345(4) . ?
N7 C19 1.343(4) . ?
N7 C18 1.348(4) . ?
N8 C23 1.316(3) . ?
N8 N9 1.371(3) . ?
N9 C24 1.297(4) . ?
N10 C23 1.362(3) . ?
N10 C24 1.368(3) . ?
N10 C30 1.433(3) . ?
N11 C27 1.342(4) . ?
N11 C28 1.343(4) . ?
N12 C31 1.337(3) . ?
N12 C32 1.342(4) . ?
C1 C5 1.377(5) . ?
C1 C6 1.473(4) . ?
C2 C3 1.370(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C7 C8 1.475(4) . ?
C8 C9 1.390(5) . ?
C8 C12 1.394(5) . ?
C9 C10 1.380(4) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.392(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.378(4) . ?
C13 C17 1.384(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.383(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.383(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C22 1.383(4) . ?
C18 C23 1.475(4) . ?
C19 C20 1.378(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.379(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.386(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C24 C25 1.480(4) . ?
C25 C26 1.382(4) . ?
C25 C29 1.389(4) . ?
C26 C27 1.384(4) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.380(4) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C34 1.388(4) . ?
C30 C31 1.389(4) . ?
C31 H31 0.9300 . ?
C32 C33 1.389(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.379(4) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
Cl2 O5 1.378(4) . ?
Cl2 O7 1.411(4) . ?
Cl2 O6 1.429(3) . ?
Cl2 O8 1.496(5) . ?
Cl1 O2 1.409(3) . ?
Cl1 O3 1.415(3) . ?
Cl1 O4 1.417(4) . ?
Cl1 O1 1.435(4) . ?
Cl3 O10 1.418(8) . ?
Cl3 O9 1.425(3) 2_655 ?
Cl3 O9 1.425(3) 3_665 ?
Cl3 O9 1.425(3) . ?

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
N1 Ag1 N7 122.93(9) . 2_655 ?
N1 Ag1 N8 157.22(9) . 2_655 ?
N7 Ag1 N8 72.23(8) 2_655 2_655 ?
N1 Ag1 N2 70.72(9) . . ?
N7 Ag1 N2 166.07(8) 2_655 . ?
N8 Ag1 N2 93.94(8) 2_655 . ?
N9 Ag2 N11 115.43(8) . 4_667 ?
N9 Ag2 N6 125.69(9) . . ?
N11 Ag2 N6 100.13(9) 4_667 . ?
N9 Ag2 N3 107.19(9) . 3_665 ?
N11 Ag2 N3 111.23(8) 4_667 3_665 ?
N6 Ag2 N3 95.28(9) . 3_665 ?
N12 Ag3 N12 111.00(6) 2_665 3_565 ?
N12 Ag3 N12 111.00(6) 2_665 . ?
N12 Ag3 N12 111.00(6) 3_565 . ?
C2 N1 C1 117.4(3) . . ?
C2 N1 Ag1 123.2(2) . . ?
C1 N1 Ag1 119.4(2) . . ?
C6 N2 N3 107.6(2) . . ?
C6 N2 Ag1 100.20(19) . . ?
N3 N2 Ag1 133.25(17) . . ?
C7 N3 N2 107.7(2) . . ?
C7 N3 Ag2 122.85(18) . 2_655 ?
N2 N3 Ag2 117.17(16) . 2_655 ?
C7 N4 C6 104.7(2) . . ?
C7 N4 C13 128.2(2) . . ?
C6 N4 C13 127.0(2) . . ?
C10 N5 C11 116.3(3) . . ?
C15 N6 C14 117.3(3) . . ?
C15 N6 Ag2 125.1(2) . . ?
C14 N6 Ag2 117.16(19) . . ?
C19 N7 C18 116.7(3) . . ?
C19 N7 Ag1 127.6(2) . 3_665 ?
C18 N7 Ag1 114.20(18) . 3_665 ?
C23 N8 N9 107.0(2) . . ?
C23 N8 Ag1 107.30(18) . 3_665 ?
N9 N8 Ag1 131.67(17) . 3_665 ?
C24 N9 N8 108.5(2) . . ?
C24 N9 Ag2 131.66(19) . . ?
N8 N9 Ag2 119.80(16) . . ?
C23 N10 C24 105.1(2) . . ?
C23 N10 C30 127.8(2) . . ?
C24 N10 C30 126.5(2) . . ?
C27 N11 C28 117.7(2) . . ?
C27 N11 Ag2 120.56(19) . 4_667 ?
C28 N11 Ag2 120.65(19) . 4_667 ?
C31 N12 C32 117.6(2) . . ?
C31 N12 Ag3 126.35(18) . . ?
C32 N12 Ag3 115.40(18) . . ?
N1 C1 C5 121.7(3) . . ?
N1 C1 C6 114.3(3) . . ?
C5 C1 C6 124.0(3) . . ?
N1 C2 C3 123.3(3) . . ?
N1 C2 H2 118.4 . . ?
C3 C2 H2 118.4 . . ?
C2 C3 C4 118.9(3) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 118.7(3) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C4 C5 C1 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C1 C5 H5 120.0 . . ?
N2 C6 N4 110.3(3) . . ?
N2 C6 C1 123.7(3) . . ?
N4 C6 C1 126.0(3) . . ?
N3 C7 N4 109.7(2) . . ?
N3 C7 C8 123.3(3) . . ?
N4 C7 C8 127.0(2) . . ?
C9 C8 C12 118.2(3) . . ?
C9 C8 C7 118.4(3) . . ?
C12 C8 C7 123.2(3) . . ?
C10 C9 C8 119.2(3) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
N5 C10 C9 124.0(4) . . ?
N5 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
N5 C11 C12 124.6(4) . . ?
N5 C11 H11 117.7 . . ?
C12 C11 H11 117.7 . . ?
C11 C12 C8 117.7(4) . . ?
C11 C12 H12 121.1 . . ?
C8 C12 H12 121.1 . . ?
C14 C13 C17 120.7(3) . . ?
C14 C13 N4 118.6(3) . . ?
C17 C13 N4 120.8(3) . . ?
N6 C14 C13 121.9(3) . . ?
N6 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
N6 C15 C16 123.8(3) . . ?
N6 C15 H15 118.1 . . ?
C16 C15 H15 118.1 . . ?
C15 C16 C17 118.7(3) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 H16 120.6 . . ?
C16 C17 C13 117.6(3) . . ?
C16 C17 H17 121.2 . . ?
C13 C17 H17 121.2 . . ?
N7 C18 C22 123.6(3) . . ?
N7 C18 C23 113.8(2) . . ?
C22 C18 C23 122.3(3) . . ?
N7 C19 C20 123.4(3) . . ?
N7 C19 H19 118.3 . . ?
C20 C19 H19 118.3 . . ?
C19 C20 C21 119.2(3) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
C20 C21 C22 118.7(3) . . ?
C20 C21 H21 120.6 . . ?
C22 C21 H21 120.6 . . ?
C18 C22 C21 118.4(3) . . ?
C18 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
N8 C23 N10 109.8(2) . . ?
N8 C23 C18 121.2(2) . . ?
N10 C23 C18 128.8(2) . . ?
N9 C24 N10 109.6(2) . . ?
N9 C24 C25 125.3(2) . . ?
N10 C24 C25 125.1(2) . . ?
C26 C25 C29 119.6(3) . . ?
C26 C25 C24 119.7(2) . . ?
C29 C25 C24 120.7(3) . . ?
C25 C26 C27 118.2(3) . . ?
C25 C26 H26 120.9 . . ?
C27 C26 H26 120.9 . . ?
N11 C27 C26 123.1(3) . . ?
N11 C27 H27 118.4 . . ?
C26 C27 H27 118.4 . . ?
N11 C28 C29 123.1(3) . . ?
N11 C28 H28 118.4 . . ?
C29 C28 H28 118.4 . . ?
C28 C29 C25 118.2(3) . . ?
C28 C29 H29 120.9 . . ?
C25 C29 H29 120.9 . . ?
C34 C30 C31 120.5(2) . . ?
C34 C30 N10 119.7(2) . . ?
C31 C30 N10 119.7(2) . . ?
N12 C31 C30 121.9(2) . . ?
N12 C31 H31 119.0 . . ?
C30 C31 H31 119.0 . . ?
N12 C32 C33 123.3(3) . . ?
N12 C32 H32 118.3 . . ?
C33 C32 H32 118.3 . . ?
C34 C33 C32 119.3(3) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C33 C34 C30 117.3(3) . . ?
C33 C34 H34 121.4 . . ?
C30 C34 H34 121.4 . . ?
O5 Cl2 O7 112.3(3) . . ?
O5 Cl2 O6 114.4(2) . . ?
O7 Cl2 O6 111.1(2) . . ?
O5 Cl2 O8 105.9(3) . . ?
O7 Cl2 O8 102.7(3) . . ?
O6 Cl2 O8 109.7(2) . . ?
O2 Cl1 O3 111.8(2) . . ?
O2 Cl1 O4 111.1(2) . . ?
O3 Cl1 O4 110.7(2) . . ?
O2 Cl1 O1 109.7(2) . . ?
O3 Cl1 O1 107.2(2) . . ?
O4 Cl1 O1 106.1(2) . . ?
O10 Cl3 O9 108.75(14) . 2_655 ?
O10 Cl3 O9 108.75(14) . 3_665 ?
O9 Cl3 O9 110.18(14) 2_655 3_665 ?
O10 Cl3 O9 108.75(14) . . ?
O9 Cl3 O9 110.18(14) 2_655 . ?
O9 Cl3 O9 110.18(14) 3_665 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N2 N3 C7 0.5(3) . . . . ?
Ag1 N2 N3 C7 -123.0(2) . . . . ?
C6 N2 N3 Ag2 143.97(19) . . . 2_655 ?
Ag1 N2 N3 Ag2 20.4(3) . . . 2_655 ?
C23 N8 N9 C24 -0.3(3) . . . . ?
Ag1 N8 N9 C24 133.1(2) 3_665 . . . ?
C23 N8 N9 Ag2 179.37(19) . . . . ?
Ag1 N8 N9 Ag2 -47.2(3) 3_665 . . . ?
C2 N1 C1 C5 -0.9(5) . . . . ?
Ag1 N1 C1 C5 -180.0(3) . . . . ?
C2 N1 C1 C6 179.7(3) . . . . ?
Ag1 N1 C1 C6 0.6(4) . . . . ?
C1 N1 C2 C3 -1.7(6) . . . . ?
Ag1 N1 C2 C3 177.3(3) . . . . ?
N1 C2 C3 C4 2.7(7) . . . . ?
C2 C3 C4 C5 -1.0(7) . . . . ?
C3 C4 C5 C1 -1.5(6) . . . . ?
N1 C1 C5 C4 2.5(6) . . . . ?
C6 C1 C5 C4 -178.2(4) . . . . ?
N3 N2 C6 N4 -0.5(3) . . . . ?
Ag1 N2 C6 N4 141.44(19) . . . . ?
N3 N2 C6 C1 -180.0(3) . . . . ?
Ag1 N2 C6 C1 -38.1(3) . . . . ?
C7 N4 C6 N2 0.3(3) . . . . ?
C13 N4 C6 N2 -177.1(3) . . . . ?
C7 N4 C6 C1 179.7(3) . . . . ?
C13 N4 C6 C1 2.4(5) . . . . ?
N1 C1 C6 N2 31.1(4) . . . . ?
C5 C1 C6 N2 -148.3(3) . . . . ?
N1 C1 C6 N4 -148.4(3) . . . . ?
C5 C1 C6 N4 32.3(5) . . . . ?
N2 N3 C7 N4 -0.4(3) . . . . ?
Ag2 N3 C7 N4 -141.26(19) 2_655 . . . ?
N2 N3 C7 C8 179.8(3) . . . . ?
Ag2 N3 C7 C8 38.9(4) 2_655 . . . ?
C6 N4 C7 N3 0.1(3) . . . . ?
C13 N4 C7 N3 177.4(3) . . . . ?
C6 N4 C7 C8 179.9(3) . . . . ?
C13 N4 C7 C8 -2.7(5) . . . . ?
N3 C7 C8 C9 36.0(4) . . . . ?
N4 C7 C8 C9 -143.8(3) . . . . ?
N3 C7 C8 C12 -139.2(3) . . . . ?
N4 C7 C8 C12 41.0(5) . . . . ?
C12 C8 C9 C10 1.7(5) . . . . ?
C7 C8 C9 C10 -173.7(3) . . . . ?
C11 N5 C10 C9 1.2(6) . . . . ?
C8 C9 C10 N5 -1.7(5) . . . . ?
C10 N5 C11 C12 -0.8(7) . . . . ?
N5 C11 C12 C8 1.0(7) . . . . ?
C9 C8 C12 C11 -1.4(5) . . . . ?
C7 C8 C12 C11 173.8(3) . . . . ?
C7 N4 C13 C14 80.6(4) . . . . ?
C6 N4 C13 C14 -102.6(3) . . . . ?
C7 N4 C13 C17 -100.5(4) . . . . ?
C6 N4 C13 C17 76.3(4) . . . . ?
C15 N6 C14 C13 0.2(4) . . . . ?
Ag2 N6 C14 C13 173.2(2) . . . . ?
C17 C13 C14 N6 -0.5(4) . . . . ?
N4 C13 C14 N6 178.4(2) . . . . ?
C14 N6 C15 C16 0.5(5) . . . . ?
Ag2 N6 C15 C16 -171.9(3) . . . . ?
N6 C15 C16 C17 -0.9(6) . . . . ?
C15 C16 C17 C13 0.5(6) . . . . ?
C14 C13 C17 C16 0.1(5) . . . . ?
N4 C13 C17 C16 -178.7(3) . . . . ?
C19 N7 C18 C22 1.0(4) . . . . ?
Ag1 N7 C18 C22 -165.9(2) 3_665 . . . ?
C19 N7 C18 C23 175.6(3) . . . . ?
Ag1 N7 C18 C23 8.7(3) 3_665 . . . ?
C18 N7 C19 C20 -0.1(5) . . . . ?
Ag1 N7 C19 C20 164.8(2) 3_665 . . . ?
N7 C19 C20 C21 -0.8(5) . . . . ?
C19 C20 C21 C22 0.9(5) . . . . ?
N7 C18 C22 C21 -0.9(5) . . . . ?
C23 C18 C22 C21 -175.1(3) . . . . ?
C20 C21 C22 C18 -0.1(5) . . . . ?
N9 N8 C23 N10 0.3(3) . . . . ?
Ag1 N8 C23 N10 -145.09(18) 3_665 . . . ?
N9 N8 C23 C18 -175.7(2) . . . . ?
Ag1 N8 C23 C18 38.9(3) 3_665 . . . ?
C24 N10 C23 N8 -0.1(3) . . . . ?
C30 N10 C23 N8 172.1(3) . . . . ?
C24 N10 C23 C18 175.5(3) . . . . ?
C30 N10 C23 C18 -12.3(5) . . . . ?
N7 C18 C23 N8 -34.5(4) . . . . ?
C22 C18 C23 N8 140.2(3) . . . . ?
N7 C18 C23 N10 150.3(3) . . . . ?
C22 C18 C23 N10 -35.0(4) . . . . ?
N8 N9 C24 N10 0.3(3) . . . . ?
Ag2 N9 C24 N10 -179.40(19) . . . . ?
N8 N9 C24 C25 -177.1(3) . . . . ?
Ag2 N9 C24 C25 3.2(4) . . . . ?
C23 N10 C24 N9 -0.1(3) . . . . ?
C30 N10 C24 N9 -172.4(3) . . . . ?
C23 N10 C24 C25 177.3(3) . . . . ?
C30 N10 C24 C25 5.0(4) . . . . ?
N9 C24 C25 C26 -56.4(4) . . . . ?
N10 C24 C25 C26 126.6(3) . . . . ?
N9 C24 C25 C29 120.5(3) . . . . ?
N10 C24 C25 C29 -56.5(4) . . . . ?
C29 C25 C26 C27 -1.6(4) . . . . ?
C24 C25 C26 C27 175.3(2) . . . . ?
C28 N11 C27 C26 1.1(4) . . . . ?
Ag2 N11 C27 C26 -167.3(2) 4_667 . . . ?
C25 C26 C27 N11 0.3(4) . . . . ?
C27 N11 C28 C29 -1.2(4) . . . . ?
Ag2 N11 C28 C29 167.2(2) 4_667 . . . ?
N11 C28 C29 C25 -0.1(4) . . . . ?
C26 C25 C29 C28 1.5(4) . . . . ?
C24 C25 C29 C28 -175.4(3) . . . . ?
C23 N10 C30 C34 -53.2(4) . . . . ?
C24 N10 C30 C34 117.4(3) . . . . ?
C23 N10 C30 C31 129.7(3) . . . . ?
C24 N10 C30 C31 -59.7(4) . . . . ?
C32 N12 C31 C30 -0.7(4) . . . . ?
Ag3 N12 C31 C30 169.63(19) . . . . ?
C34 C30 C31 N12 -0.3(4) . . . . ?
N10 C30 C31 N12 176.8(2) . . . . ?
C31 N12 C32 C33 2.2(5) . . . . ?
Ag3 N12 C32 C33 -169.2(3) . . . . ?
N12 C32 C33 C34 -2.5(6) . . . . ?
C32 C33 C34 C30 1.3(5) . . . . ?
C31 C30 C34 C33 0.0(4) . . . . ?
N10 C30 C34 C33 -177.1(3) . . . . ?

_refine_diff_density_max         1.553
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.074


####################################################################### 
# 
# 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_1_ClO4_BF4
_database_code_depnum_ccdc_archive 'CCDC 1529137'
_audit_update_record             
;
2017-02-05 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C102 H72 Ag7 B0.75 Cl6.25 F3.01 N36 O24.99'
_chemical_formula_weight         3243.74

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   25.3258(4)
_cell_length_b                   25.3258(4)
_cell_length_c                   16.4902(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9159.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9916
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.99

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_F_000             3204
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.883
_shelx_estimated_absorpt_T_min   0.829
_shelx_estimated_absorpt_T_max   0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6653
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            68982
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.545
_diffrn_reflns_theta_max         28.300
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15187
_reflns_number_gt                11543
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0050P)²+18.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15187
_refine_ls_number_parameters     557
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0728
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_restrained_S_all      0.985
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.08711(2) 0.56306(2) 0.18234(2) 0.01889(5) Uani 1 1 d . . . . .
Ag2 Ag 0.06702(2) 0.46997(2) 0.41196(2) 0.03058(6) Uani 1 1 d . . . . .
Ag3 Ag -0.333333 0.333333 0.16683(2) 0.02175(8) Uani 1 3 d S T P . .
Cl1 Cl -0.03884(3) 0.63275(4) -0.20883(5) 0.03665(18) Uani 1 1 d . . . . .
Cl2' Cl 0.42926(6) 0.34017(6) 0.26806(8) 0.0491(4) Uani 0.749(2) 1 d D U P A 2
O5' O 0.46989(16) 0.37509(14) 0.33665(18) 0.0563(9) Uani 0.749(2) 1 d D U P A 2
O6' O 0.4700(2) 0.3405(2) 0.2048(2) 0.0419(9) Uani 0.749(2) 1 d D U P A 2
O7' O 0.3897(2) 0.28225(15) 0.2964(2) 0.0298(9) Uani 0.749(2) 1 d D U P A 2
O8' O 0.40152(15) 0.37323(15) 0.2424(2) 0.0524(9) Uani 0.749(2) 1 d D U P A 2
Cl3 Cl -0.333333 0.333333 0.67971(7) 0.0259(2) Uani 1 3 d S T P . .
O1 O -0.06978(11) 0.60800(12) -0.28339(16) 0.0524(7) Uani 1 1 d . . . . .
O2 O 0.02391(9) 0.65103(10) -0.21762(14) 0.0389(5) Uani 1 1 d . . . . .
O3 O -0.04634(11) 0.68285(11) -0.18616(16) 0.0489(6) Uani 1 1 d . . . . .
O4 O -0.06661(12) 0.58588(12) -0.14814(17) 0.0610(8) Uani 1 1 d . . . . .
O9 O -0.28791(10) 0.32004(10) 0.65131(15) 0.0417(6) Uani 1 1 d . . . . .
O10 O -0.333333 0.333333 0.7664(2) 0.0705(15) Uani 1 3 d S T P . .
N1 N 0.00227(9) 0.49032(10) 0.23965(12) 0.0202(5) Uani 1 1 d . . . . .
N2 N -0.00013(10) 0.48018(10) 0.32206(12) 0.0204(5) Uani 1 1 d . . . . .
N3 N -0.08946(9) 0.41712(9) 0.26968(12) 0.0161(4) Uani 1 1 d . . . . .
N4 N -0.03048(10) 0.42185(10) 0.47199(13) 0.0206(5) Uani 1 1 d . . . . .
N5 N -0.08907(9) 0.43850(10) -0.04329(12) 0.0190(4) Uani 1 1 d . . . . .
N6 N -0.24929(10) 0.32568(10) 0.20532(13) 0.0205(5) Uani 1 1 d . . . . .
N7 N 0.16187(10) 0.53330(10) 0.31838(13) 0.0209(5) Uani 1 1 d . . . . .
N8 N 0.16851(10) 0.55419(10) 0.23956(13) 0.0201(5) Uani 1 1 d . . . . .
N9 N 0.20977(9) 0.49618(10) 0.24797(13) 0.0186(4) Uani 1 1 d . . . . .
N10 N 0.14150(10) 0.45153(12) 0.44726(14) 0.0284(5) Uani 1 1 d . . . . .
N11 N 0.23128(12) 0.57059(13) -0.05464(14) 0.0337(6) Uani 1 1 d . . . . .
N12 N 0.33245(10) 0.46340(10) 0.20376(13) 0.0215(5) Uani 1 1 d . . . . .
C1 C -0.05090(11) 0.45254(11) 0.20921(15) 0.0180(5) Uani 1 1 d . . . . .
C2 C -0.05559(11) 0.43638(11) 0.33910(15) 0.0172(5) Uani 1 1 d . . . . .
C3 C -0.07523(12) 0.41733(11) 0.42306(15) 0.0186(5) Uani 1 1 d . . . . .
C4 C -0.13291(12) 0.40139(12) 0.45031(16) 0.0218(6) Uani 1 1 d . . . . .
H4 H -0.163186 0.398657 0.413779 0.026 Uiso 1 1 calc R U . . .
C5 C -0.14562(13) 0.38941(12) 0.53262(17) 0.0272(6) Uani 1 1 d . . . . .
H5 H -0.184707 0.378514 0.553577 0.033 Uiso 1 1 calc R U . . .
C6 C -0.09990(13) 0.39377(12) 0.58326(16) 0.0266(6) Uani 1 1 d . . . . .
H6 H -0.107102 0.386049 0.639710 0.032 Uiso 1 1 calc R U . . .
C7 C -0.04370(13) 0.40950(12) 0.55045(16) 0.0252(6) Uani 1 1 d . . . . .
H7 H -0.012941 0.411624 0.585535 0.030 Uiso 1 1 calc R U . . .
C8 C -0.09764(12) 0.38986(12) -0.00062(16) 0.0224(6) Uani 1 1 d . . . . .
H8 H -0.111488 0.352334 -0.028377 0.027 Uiso 1 1 calc R U . . .
C9 C -0.08733(12) 0.39163(12) 0.08181(15) 0.0205(5) Uani 1 1 d . . . . .
H9 H -0.094182 0.356087 0.110143 0.025 Uiso 1 1 calc R U . . .
C10 C -0.06670(11) 0.44659(11) 0.12236(15) 0.0167(5) Uani 1 1 d . . . . .
C11 C -0.05861(11) 0.49702(12) 0.07954(15) 0.0192(5) Uani 1 1 d . . . . .
H11 H -0.045264 0.534909 0.106096 0.023 Uiso 1 1 calc R U . . .
C12 C -0.07042(11) 0.49104(12) -0.00301(16) 0.0207(5) Uani 1 1 d . . . . .
H12 H -0.065109 0.525611 -0.032435 0.025 Uiso 1 1 calc R U . . .
C13 C -0.19365(11) 0.37302(11) 0.22101(15) 0.0185(5) Uani 1 1 d . . . . .
H13 H -0.184517 0.412863 0.205648 0.022 Uiso 1 1 calc R U . . .
C14 C -0.14927(11) 0.36535(11) 0.25895(15) 0.0172(5) Uani 1 1 d . . . . .
C15 C -0.16088(12) 0.30819(12) 0.28270(16) 0.0227(6) Uani 1 1 d . . . . .
H15 H -0.130747 0.302537 0.309154 0.027 Uiso 1 1 calc R U . . .
C16 C -0.21820(12) 0.25963(12) 0.26630(18) 0.0277(6) Uani 1 1 d . . . . .
H16 H -0.228479 0.219382 0.281309 0.033 Uiso 1 1 calc R U . . .
C17 C -0.26042(12) 0.27034(12) 0.22778(17) 0.0250(6) Uani 1 1 d . . . . .
H17 H -0.299566 0.236447 0.216636 0.030 Uiso 1 1 calc R U . . .
C18 C 0.18716(11) 0.49909(12) 0.32247(15) 0.0209(5) Uani 1 1 d . . . . .
C19 C 0.19747(11) 0.53171(12) 0.19832(15) 0.0178(5) Uani 1 1 d . . . . .
C20 C 0.18870(12) 0.46766(13) 0.39688(16) 0.0241(6) Uani 1 1 d . . . . .
C21 C 0.23595(14) 0.45713(16) 0.41531(18) 0.0346(7) Uani 1 1 d . . . . .
H21 H 0.269805 0.470915 0.379695 0.041 Uiso 1 1 calc R U . . .
C22 C 0.23369(15) 0.42646(17) 0.48579(19) 0.0408(8) Uani 1 1 d . . . . .
H22 H 0.265198 0.417855 0.498571 0.049 Uiso 1 1 calc R U . . .
C23 C 0.18468(15) 0.40867(17) 0.53705(19) 0.0416(8) Uani 1 1 d . . . . .
H23 H 0.181434 0.387113 0.585652 0.050 Uiso 1 1 calc R U . . .
C24 C 0.14028(14) 0.42286(16) 0.51627(18) 0.0375(8) Uani 1 1 d . . . . .
H24 H 0.107294 0.411753 0.552673 0.045 Uiso 1 1 calc R U . . .
C25 C 0.23728(13) 0.61264(14) -0.00054(17) 0.0280(6) Uani 1 1 d . . . . .
H25 H 0.247701 0.652014 -0.019886 0.034 Uiso 1 1 calc R U . . .
C26 C 0.22913(12) 0.60189(13) 0.08204(16) 0.0240(6) Uani 1 1 d . . . . .
H26 H 0.235062 0.633633 0.118136 0.029 Uiso 1 1 calc R U . . .
C27 C 0.21219(11) 0.54418(12) 0.11162(15) 0.0200(5) Uani 1 1 d . . . . .
C28 C 0.20628(14) 0.50009(14) 0.05616(17) 0.0295(6) Uani 1 1 d . . . . .
H28 H 0.195620 0.460262 0.073764 0.035 Uiso 1 1 calc R U . . .
C29 C 0.21627(16) 0.51554(16) -0.02536(18) 0.0373(8) Uani 1 1 d . . . . .
H29 H 0.212213 0.485167 -0.062710 0.045 Uiso 1 1 calc R U . . .
C30 C 0.29979(13) 0.40298(13) 0.19220(19) 0.0297(7) Uani 1 1 d . . . . .
H30 H 0.320990 0.381809 0.180268 0.036 Uiso 1 1 calc R U . . .
C31 C 0.23697(14) 0.36988(14) 0.1967(2) 0.0374(8) Uani 1 1 d . . . . .
H31 H 0.215755 0.327101 0.187674 0.045 Uiso 1 1 calc R U . . .
C32 C 0.20538(13) 0.39981(13) 0.21459(19) 0.0315(7) Uani 1 1 d . . . . .
H32 H 0.162156 0.378428 0.218211 0.038 Uiso 1 1 calc R U . . .
C33 C 0.23903(12) 0.46197(12) 0.22698(16) 0.0200(5) Uani 1 1 d . . . . .
C34 C 0.30156(12) 0.49219(12) 0.22135(15) 0.0184(5) Uani 1 1 d . . . . .
H34 H 0.323669 0.534978 0.230243 0.022 Uiso 1 1 calc R U . . .
F1 F 0.3848(4) 0.3379(4) 0.1856(6) 0.0524(9) Uani 0.251(2) 1 d D U P A 1
B1 B 0.4048(6) 0.3259(5) 0.2530(7) 0.0491(4) Uani 0.251(2) 1 d D . P A 1
F2 F 0.4024(4) 0.3650(4) 0.3103(5) 0.0563(9) Uani 0.251(2) 1 d D U P A 1
F3 F 0.4673(6) 0.3465(6) 0.2333(6) 0.0419(9) Uani 0.251(2) 1 d D U P A 1
F4 F 0.3790(6) 0.2681(5) 0.2774(7) 0.0298(9) Uani 0.251(2) 1 d D . P 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 N1 2.224(2) . ?
Ag1 N5 2.294(2) 4_565 ?
Ag1 N12 2.329(2) 3_565 ?
Ag1 N8 2.378(2) . ?
Ag2 N10 2.235(2) . ?
Ag2 N4 2.356(2) . ?
Ag2 N2 2.366(2) . ?
Ag2 N7 2.621(2) . ?
Ag3 N6 2.320(2) . ?
Ag3 N6 2.320(2) 3_455 ?
Ag3 N6 2.320(2) 2_565 ?
Cl1 O2 1.423(2) . ?
Cl1 O3 1.423(2) . ?
Cl1 O1 1.424(2) . ?
Cl1 O4 1.439(2) . ?
Cl2' O7' 1.380(4) . ?
Cl2' O8' 1.400(3) . ?
Cl2' O6' 1.464(3) . ?
Cl2' O5' 1.487(3) . ?
Cl3 O10 1.429(4) . ?
Cl3 O9 1.430(2) . ?
Cl3 O9 1.430(2) 3_455 ?
Cl3 O9 1.430(2) 2_565 ?
N1 C1 1.301(3) . ?
N1 N2 1.379(3) . ?
N2 C2 1.313(3) . ?
N3 C2 1.366(3) . ?
N3 C1 1.370(3) . ?
N3 C14 1.435(3) . ?
N4 C7 1.334(3) . ?
N4 C3 1.349(3) . ?
N5 C8 1.339(3) . ?
N5 C12 1.344(3) . ?
N6 C17 1.336(3) . ?
N6 C13 1.342(3) . ?
N7 C18 1.312(3) . ?
N7 N8 1.381(3) . ?
N8 C19 1.320(3) . ?
N9 C19 1.363(3) . ?
N9 C18 1.373(3) . ?
N9 C33 1.436(3) . ?
N10 C20 1.341(3) . ?
N10 C24 1.342(4) . ?
N11 C25 1.338(4) . ?
N11 C29 1.338(4) . ?
N12 C30 1.340(4) . ?
N12 C34 1.341(3) . ?
C1 C10 1.474(3) . ?
C2 C3 1.469(3) . ?
C3 C4 1.382(4) . ?
C4 C5 1.393(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.382(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.381(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(4) . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.382(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.382(4) . ?
C15 C16 1.381(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C20 1.474(4) . ?
C19 C27 1.471(3) . ?
C20 C21 1.384(4) . ?
C21 C22 1.383(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.384(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.392(4) . ?
C28 C29 1.388(4) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.380(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.375(3) . ?
C34 H34 0.9500 . ?
F1 B1 1.317(9) . ?
B1 F4 1.334(9) . ?
B1 F2 1.391(9) . ?
B1 F3 1.434(9) . ?

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
N1 Ag1 N5 115.51(7) . 4_565 ?
N1 Ag1 N12 126.24(8) . 3_565 ?
N5 Ag1 N12 99.73(8) 4_565 3_565 ?
N1 Ag1 N8 106.10(8) . . ?
N5 Ag1 N8 111.58(7) 4_565 . ?
N12 Ag1 N8 95.97(8) 3_565 . ?
N10 Ag2 N4 123.92(8) . . ?
N10 Ag2 N2 156.05(8) . . ?
N4 Ag2 N2 72.25(7) . . ?
N10 Ag2 N7 70.75(8) . . ?
N4 Ag2 N7 165.11(7) . . ?
N2 Ag2 N7 93.04(7) . . ?
N6 Ag3 N6 112.82(5) . 3_455 ?
N6 Ag3 N6 112.82(5) . 2_565 ?
N6 Ag3 N6 112.82(5) 3_455 2_565 ?
O2 Cl1 O3 111.20(15) . . ?
O2 Cl1 O1 109.54(15) . . ?
O3 Cl1 O1 109.26(15) . . ?
O2 Cl1 O4 110.17(15) . . ?
O3 Cl1 O4 108.96(17) . . ?
O1 Cl1 O4 107.64(17) . . ?
O7' Cl2' O8' 115.1(3) . . ?
O7' Cl2' O6' 112.4(3) . . ?
O8' Cl2' O6' 110.1(2) . . ?
O7' Cl2' O5' 107.1(2) . . ?
O8' Cl2' O5' 106.2(2) . . ?
O6' Cl2' O5' 105.2(2) . . ?
O10 Cl3 O9 109.12(11) . . ?
O10 Cl3 O9 109.13(11) . 3_455 ?
O9 Cl3 O9 109.82(11) . 3_455 ?
O10 Cl3 O9 109.13(11) . 2_565 ?
O9 Cl3 O9 109.81(11) . 2_565 ?
O9 Cl3 O9 109.81(11) 3_455 2_565 ?
C1 N1 N2 108.1(2) . . ?
C1 N1 Ag1 131.41(17) . . ?
N2 N1 Ag1 120.50(15) . . ?
C2 N2 N1 107.3(2) . . ?
C2 N2 Ag2 107.29(16) . . ?
N1 N2 Ag2 132.14(16) . . ?
C2 N3 C1 105.1(2) . . ?
C2 N3 C14 128.1(2) . . ?
C1 N3 C14 126.1(2) . . ?
C7 N4 C3 117.3(2) . . ?
C7 N4 Ag2 127.15(18) . . ?
C3 N4 Ag2 114.28(16) . . ?
C8 N5 C12 117.8(2) . . ?
C8 N5 Ag1 120.30(17) . 4_565 ?
C12 N5 Ag1 120.74(17) . 4_565 ?
C17 N6 C13 117.4(2) . . ?
C17 N6 Ag3 116.24(17) . . ?
C13 N6 Ag3 125.14(17) . . ?
C18 N7 N8 107.2(2) . . ?
C18 N7 Ag2 99.57(16) . . ?
N8 N7 Ag2 133.40(15) . . ?
C19 N8 N7 107.9(2) . . ?
C19 N8 Ag1 122.09(17) . . ?
N7 N8 Ag1 117.66(15) . . ?
C19 N9 C18 105.2(2) . . ?
C19 N9 C33 127.7(2) . . ?
C18 N9 C33 127.1(2) . . ?
C20 N10 C24 117.8(2) . . ?
C20 N10 Ag2 119.47(18) . . ?
C24 N10 Ag2 122.71(19) . . ?
C25 N11 C29 116.7(3) . . ?
C30 N12 C34 117.2(2) . . ?
C30 N12 Ag1 125.50(18) . 2_665 ?
C34 N12 Ag1 116.98(17) . 2_665 ?
N1 C1 N3 109.7(2) . . ?
N1 C1 C10 125.3(2) . . ?
N3 C1 C10 124.9(2) . . ?
N2 C2 N3 109.7(2) . . ?
N2 C2 C3 121.5(2) . . ?
N3 C2 C3 128.6(2) . . ?
N4 C3 C4 123.4(2) . . ?
N4 C3 C2 113.8(2) . . ?
C4 C3 C2 122.5(2) . . ?
C3 C4 C5 118.4(3) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
C6 C5 C4 118.5(3) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
C7 C6 C5 119.1(3) . . ?
C7 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
N4 C7 C6 123.3(3) . . ?
N4 C7 H7 118.4 . . ?
C6 C7 H7 118.4 . . ?
N5 C8 C9 123.1(2) . . ?
N5 C8 H8 118.4 . . ?
C9 C8 H8 118.4 . . ?
C8 C9 C10 118.5(2) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
C11 C10 C9 119.2(2) . . ?
C11 C10 C1 119.6(2) . . ?
C9 C10 C1 121.1(2) . . ?
C10 C11 C12 118.5(2) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 H11 120.8 . . ?
N5 C12 C11 122.9(2) . . ?
N5 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
N6 C13 C14 121.7(2) . . ?
N6 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C15 C14 C13 120.9(2) . . ?
C15 C14 N3 119.8(2) . . ?
C13 C14 N3 119.2(2) . . ?
C16 C15 C14 117.1(2) . . ?
C16 C15 H15 121.4 . . ?
C14 C15 H15 121.4 . . ?
C15 C16 C17 119.1(3) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
N6 C17 C16 123.7(2) . . ?
N6 C17 H17 118.1 . . ?
C16 C17 H17 118.1 . . ?
N7 C18 N9 110.1(2) . . ?
N7 C18 C20 123.6(2) . . ?
N9 C18 C20 126.3(2) . . ?
N8 C19 N9 109.6(2) . . ?
N8 C19 C27 122.9(2) . . ?
N9 C19 C27 127.5(2) . . ?
N10 C20 C21 122.0(3) . . ?
N10 C20 C18 114.8(2) . . ?
C21 C20 C18 123.1(2) . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 118.5(3) . . ?
C23 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C22 C23 C24 118.6(3) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 H23 120.7 . . ?
N10 C24 C23 123.3(3) . . ?
N10 C24 H24 118.4 . . ?
C23 C24 H24 118.4 . . ?
N11 C25 C26 123.6(3) . . ?
N11 C25 H25 118.2 . . ?
C26 C25 H25 118.2 . . ?
C25 C26 C27 119.3(3) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C26 C27 C28 117.8(2) . . ?
C26 C27 C19 118.6(2) . . ?
C28 C27 C19 123.5(2) . . ?
C29 C28 C27 118.6(3) . . ?
C29 C28 H28 120.7 . . ?
C27 C28 H28 120.7 . . ?
N11 C29 C28 124.0(3) . . ?
N11 C29 H29 118.0 . . ?
C28 C29 H29 118.0 . . ?
N12 C30 C31 123.5(3) . . ?
N12 C30 H30 118.3 . . ?
C31 C30 H30 118.3 . . ?
C30 C31 C32 119.1(3) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C33 C32 C31 117.4(3) . . ?
C33 C32 H32 121.3 . . ?
C31 C32 H32 121.3 . . ?
C34 C33 C32 120.5(2) . . ?
C34 C33 N9 118.6(2) . . ?
C32 C33 N9 120.9(2) . . ?
N12 C34 C33 122.3(2) . . ?
N12 C34 H34 118.8 . . ?
C33 C34 H34 118.8 . . ?
F1 B1 F4 118.2(11) . . ?
F1 B1 F2 104.6(9) . . ?
F4 B1 F2 113.8(10) . . ?
F1 B1 F3 101.9(10) . . ?
F4 B1 F3 108.3(11) . . ?
F2 B1 F3 109.1(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C2 -0.6(3) . . . . ?
Ag1 N1 N2 C2 178.15(17) . . . . ?
C1 N1 N2 Ag2 134.0(2) . . . . ?
Ag1 N1 N2 Ag2 -47.3(3) . . . . ?
C18 N7 N8 C19 0.2(3) . . . . ?
Ag2 N7 N8 C19 -121.9(2) . . . . ?
C18 N7 N8 Ag1 143.31(17) . . . . ?
Ag2 N7 N8 Ag1 21.2(3) . . . . ?
N2 N1 C1 N3 0.3(3) . . . . ?
Ag1 N1 C1 N3 -178.22(17) . . . . ?
N2 N1 C1 C10 -177.1(2) . . . . ?
Ag1 N1 C1 C10 4.4(4) . . . . ?
C2 N3 C1 N1 0.1(3) . . . . ?
C14 N3 C1 N1 -171.7(2) . . . . ?
C2 N3 C1 C10 177.5(2) . . . . ?
C14 N3 C1 C10 5.7(4) . . . . ?
N1 N2 C2 N3 0.6(3) . . . . ?
Ag2 N2 C2 N3 -145.78(17) . . . . ?
N1 N2 C2 C3 -175.2(2) . . . . ?
Ag2 N2 C2 C3 38.4(3) . . . . ?
C1 N3 C2 N2 -0.4(3) . . . . ?
C14 N3 C2 N2 171.1(2) . . . . ?
C1 N3 C2 C3 175.1(3) . . . . ?
C14 N3 C2 C3 -13.4(4) . . . . ?
C7 N4 C3 C4 0.7(4) . . . . ?
Ag2 N4 C3 C4 -167.5(2) . . . . ?
C7 N4 C3 C2 175.3(2) . . . . ?
Ag2 N4 C3 C2 7.2(3) . . . . ?
N2 C2 C3 N4 -33.1(4) . . . . ?
N3 C2 C3 N4 151.9(3) . . . . ?
N2 C2 C3 C4 141.6(3) . . . . ?
N3 C2 C3 C4 -33.4(4) . . . . ?
N4 C3 C4 C5 0.1(4) . . . . ?
C2 C3 C4 C5 -174.1(2) . . . . ?
C3 C4 C5 C6 -0.3(4) . . . . ?
C4 C5 C6 C7 -0.3(4) . . . . ?
C3 N4 C7 C6 -1.3(4) . . . . ?
Ag2 N4 C7 C6 165.1(2) . . . . ?
C5 C6 C7 N4 1.1(4) . . . . ?
C12 N5 C8 C9 -1.1(4) . . . . ?
Ag1 N5 C8 C9 166.6(2) 4_565 . . . ?
N5 C8 C9 C10 -0.4(4) . . . . ?
C8 C9 C10 C11 1.5(4) . . . . ?
C8 C9 C10 C1 -175.9(2) . . . . ?
N1 C1 C10 C11 -56.7(4) . . . . ?
N3 C1 C10 C11 126.3(3) . . . . ?
N1 C1 C10 C9 120.7(3) . . . . ?
N3 C1 C10 C9 -56.3(4) . . . . ?
C9 C10 C11 C12 -1.2(4) . . . . ?
C1 C10 C11 C12 176.3(2) . . . . ?
C8 N5 C12 C11 1.5(4) . . . . ?
Ag1 N5 C12 C11 -166.17(19) 4_565 . . . ?
C10 C11 C12 N5 -0.4(4) . . . . ?
C17 N6 C13 C14 0.0(4) . . . . ?
Ag3 N6 C13 C14 166.80(18) . . . . ?
N6 C13 C14 C15 -0.4(4) . . . . ?
N6 C13 C14 N3 176.2(2) . . . . ?
C2 N3 C14 C15 -53.8(4) . . . . ?
C1 N3 C14 C15 116.1(3) . . . . ?
C2 N3 C14 C13 129.6(3) . . . . ?
C1 N3 C14 C13 -60.6(3) . . . . ?
C13 C14 C15 C16 0.5(4) . . . . ?
N3 C14 C15 C16 -176.1(2) . . . . ?
C14 C15 C16 C17 -0.1(4) . . . . ?
C13 N6 C17 C16 0.4(4) . . . . ?
Ag3 N6 C17 C16 -167.6(2) . . . . ?
C15 C16 C17 N6 -0.4(5) . . . . ?
N8 N7 C18 N9 -0.7(3) . . . . ?
Ag2 N7 C18 N9 140.65(18) . . . . ?
N8 N7 C18 C20 -179.2(2) . . . . ?
Ag2 N7 C18 C20 -37.8(3) . . . . ?
C19 N9 C18 N7 0.9(3) . . . . ?
C33 N9 C18 N7 -178.0(2) . . . . ?
C19 N9 C18 C20 179.3(2) . . . . ?
C33 N9 C18 C20 0.4(4) . . . . ?
N7 N8 C19 N9 0.4(3) . . . . ?
Ag1 N8 C19 N9 -140.73(17) . . . . ?
N7 N8 C19 C27 179.6(2) . . . . ?
Ag1 N8 C19 C27 38.5(3) . . . . ?
C18 N9 C19 N8 -0.8(3) . . . . ?
C33 N9 C19 N8 178.1(2) . . . . ?
C18 N9 C19 C27 -180.0(2) . . . . ?
C33 N9 C19 C27 -1.1(4) . . . . ?
C24 N10 C20 C21 -1.9(4) . . . . ?
Ag2 N10 C20 C21 -179.7(2) . . . . ?
C24 N10 C20 C18 -179.8(3) . . . . ?
Ag2 N10 C20 C18 2.3(3) . . . . ?
N7 C18 C20 N10 30.0(4) . . . . ?
N9 C18 C20 N10 -148.2(3) . . . . ?
N7 C18 C20 C21 -148.0(3) . . . . ?
N9 C18 C20 C21 33.8(4) . . . . ?
N10 C20 C21 C22 3.2(5) . . . . ?
C18 C20 C21 C22 -179.0(3) . . . . ?
C20 C21 C22 C23 -1.8(5) . . . . ?
C21 C22 C23 C24 -0.7(5) . . . . ?
C20 N10 C24 C23 -0.8(5) . . . . ?
Ag2 N10 C24 C23 176.9(3) . . . . ?
C22 C23 C24 N10 2.1(6) . . . . ?
C29 N11 C25 C26 0.3(4) . . . . ?
N11 C25 C26 C27 -1.8(4) . . . . ?
C25 C26 C27 C28 2.2(4) . . . . ?
C25 C26 C27 C19 -173.7(2) . . . . ?
N8 C19 C27 C26 37.2(4) . . . . ?
N9 C19 C27 C26 -143.7(3) . . . . ?
N8 C19 C27 C28 -138.5(3) . . . . ?
N9 C19 C27 C28 40.6(4) . . . . ?
C26 C27 C28 C29 -1.3(4) . . . . ?
C19 C27 C28 C29 174.4(3) . . . . ?
C25 N11 C29 C28 0.7(5) . . . . ?
C27 C28 C29 N11 -0.1(5) . . . . ?
C34 N12 C30 C31 0.7(4) . . . . ?
Ag1 N12 C30 C31 -172.3(2) 2_665 . . . ?
N12 C30 C31 C32 -0.5(5) . . . . ?
C30 C31 C32 C33 0.0(5) . . . . ?
C31 C32 C33 C34 0.1(4) . . . . ?
C31 C32 C33 N9 -178.3(3) . . . . ?
C19 N9 C33 C34 80.0(3) . . . . ?
C18 N9 C33 C34 -101.3(3) . . . . ?
C19 N9 C33 C32 -101.5(3) . . . . ?
C18 N9 C33 C32 77.2(4) . . . . ?
C30 N12 C34 C33 -0.5(4) . . . . ?
Ag1 N12 C34 C33 173.12(19) 2_665 . . . ?
C32 C33 C34 N12 0.1(4) . . . . ?
N9 C33 C34 N12 178.6(2) . . . . ?

_refine_diff_density_max         1.317
_refine_diff_density_min         -1.687
_refine_diff_density_rms         0.082


####################################################################### 
# 
# 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_1_BF4
_database_code_depnum_ccdc_archive 'CCDC 1529138'
_audit_update_record             
;
2017-02-05 deposited with the CCDC.
2017-04-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108.75 H87.75 Ag7 B7 F28 N38.25 O2.25'
_chemical_formula_weight         3329.18

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'
B B 0.0090 0.0039 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'

_cell_length_a                   25.3416(4)
_cell_length_b                   25.3416(4)
_cell_length_c                   16.5233(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     9189.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6868
_cell_measurement_theta_min      4.3470
_cell_measurement_theta_max      73.5280

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_F_000             3284
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    6.502
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.80500
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23539
_diffrn_reflns_av_unetI/netI     0.0927
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.348
_diffrn_reflns_theta_max         74.511
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             12160
_reflns_number_gt                8297
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0480P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12160
_refine_ls_number_parameters     588
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0555
_refine_ls_wR_factor_ref         0.1389
_refine_ls_wR_factor_gt          0.1315
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47567(2) 0.91293(2) 0.18149(2) 0.02783(10) Uani 1 1 d . . . . .
Ag2 Ag 0.666667 1.333333 0.16718(4) 0.03305(16) Uani 1 3 d S T P . .
Ag3 Ag 0.52502(2) 0.59468(2) 0.41046(3) 0.04479(13) Uani 1 1 d . . . . .
F2 F 0.39275(18) 0.28337(18) 0.2938(3) 0.0601(10) Uani 1 1 d . U . . .
N4 N 0.50538(18) 1.08922(17) 0.2702(2) 0.0218(8) Uani 1 1 d . . . . .
N10 N 0.50424(19) 0.71420(18) 0.2468(2) 0.0253(9) Uani 1 1 d . . . . .
F5 F 0.37128(19) 1.01961(18) 0.2154(3) 0.0683(12) Uani 1 1 d . . . . .
N6 N 0.5269(2) 1.08876(19) -0.0424(2) 0.0298(9) Uani 1 1 d . . . . .
N2 N 0.4799(2) 0.99987(18) 0.3204(2) 0.0275(9) Uani 1 1 d . . . . .
F1 F 0.4722(2) 0.3447(2) 0.2135(3) 0.0748(13) Uani 1 1 d . U . . .
N8 N 0.4673(2) 0.6297(2) 0.3165(3) 0.0308(10) Uani 1 1 d . . . . .
N11 N 0.5363(2) 0.86955(19) 0.2052(3) 0.0290(9) Uani 1 1 d . . . . .
N5 N 0.57499(19) 1.24963(18) 0.2067(3) 0.0263(9) Uani 1 1 d . . . . .
F7 F 0.3240(2) 0.9288(2) 0.2765(3) 0.0820(14) Uani 1 1 d . . . . .
N1 N 0.4516(2) 1.02923(19) 0.4708(3) 0.0301(9) Uani 1 1 d . . . . .
F8 F 0.2735(2) 0.9506(2) 0.1864(3) 0.0825(15) Uani 1 1 d . . . . .
N9 N 0.44607(19) 0.61438(19) 0.2385(2) 0.0271(9) Uani 1 1 d . . . . .
N3 N 0.4872(2) 0.99671(18) 0.2386(2) 0.0271(9) Uani 1 1 d . . . . .
N7 N 0.5472(2) 0.6890(2) 0.4463(3) 0.0366(11) Uani 1 1 d . . . . .
F6 F 0.3487(3) 0.9339(3) 0.1474(3) 0.0962(17) Uani 1 1 d . . . . .
C6 C 0.4910(2) 1.0552(2) 0.3376(3) 0.0227(10) Uani 1 1 d . . . . .
C16 C 0.4860(2) 1.0963(2) -0.0008(3) 0.0298(11) Uani 1 1 d . . . . .
H16 H 0.462288 1.109125 -0.027954 0.036 Uiso 1 1 calc R U . . .
N12 N 0.4297(3) 0.6614(2) -0.0552(3) 0.0509(14) Uani 1 1 d . . . . .
C8 C 0.5138(2) 1.1486(2) 0.2586(3) 0.0242(10) Uani 1 1 d . . . . .
C26 C 0.5072(2) 0.8095(2) 0.2210(3) 0.0258(10) Uani 1 1 d . . . . .
H26 H 0.465255 0.788829 0.228746 0.031 Uiso 1 1 calc R U . . .
C7 C 0.5031(2) 1.0514(2) 0.2081(3) 0.0230(10) Uani 1 1 d . . . . .
C9 C 0.5661(2) 1.1933(2) 0.2221(3) 0.0247(10) Uani 1 1 d . . . . .
H9 H 0.596281 1.184475 0.207582 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5013(2) 0.6886(2) 0.3206(3) 0.0281(11) Uani 1 1 d . . . . .
C24 C 0.4686(2) 0.6661(2) 0.1965(3) 0.0264(10) Uani 1 1 d . . . . .
C25 C 0.5385(2) 0.7774(2) 0.2259(3) 0.0260(10) Uani 1 1 d . . . . .
F3 F 0.4029(3) 0.3703(3) 0.2390(4) 0.1012(17) Uani 1 1 d . U . . .
C13 C 0.5125(2) 1.0667(2) 0.1226(3) 0.0237(10) Uani 1 1 d . . . . .
C17 C 0.4779(2) 1.0856(2) 0.0823(3) 0.0295(11) Uani 1 1 d . . . . .
H17 H 0.449122 1.091231 0.109990 0.035 Uiso 1 1 calc R U . . .
C18 C 0.5324(3) 0.7208(2) 0.3945(3) 0.0315(12) Uani 1 1 d . . . . .
C1 C 0.4910(2) 1.0742(2) 0.4224(3) 0.0251(10) Uani 1 1 d . . . . .
C14 C 0.5558(2) 1.0596(2) 0.0802(3) 0.0267(10) Uani 1 1 d . . . . .
H14 H 0.580663 1.047825 0.106453 0.032 Uiso 1 1 calc R U . . .
C10 C 0.5311(3) 1.2604(2) 0.2290(3) 0.0350(12) Uani 1 1 d . . . . .
H10 H 0.536337 1.298751 0.218622 0.042 Uiso 1 1 calc R U . . .
F4 F 0.4680(3) 0.3757(3) 0.3337(4) 0.116(2) Uani 1 1 d . U . . .
C15 C 0.5609(2) 1.0708(2) -0.0031(3) 0.0267(10) Uani 1 1 d . . . . .
H15 H 0.589233 1.065437 -0.032143 0.032 Uiso 1 1 calc R U . . .
C5 C 0.5324(3) 1.1316(2) 0.4500(3) 0.0302(11) Uani 1 1 d . . . . .
H5 H 0.559100 1.161504 0.414416 0.036 Uiso 1 1 calc R U . . .
C11 C 0.4781(3) 1.2181(3) 0.2667(4) 0.0376(13) Uani 1 1 d . . . . .
H11 H 0.449079 1.228539 0.281666 0.045 Uiso 1 1 calc R U . . .
C12 C 0.4681(2) 1.1604(2) 0.2821(3) 0.0314(11) Uani 1 1 d . . . . .
H12 H 0.432611 1.130870 0.307011 0.038 Uiso 1 1 calc R U . . .
C29 C 0.5995(3) 0.8050(3) 0.2129(4) 0.0385(13) Uani 1 1 d . . . . .
H29 H 0.620336 0.783529 0.215389 0.046 Uiso 1 1 calc R U . . .
C30 C 0.4570(2) 0.6687(2) 0.1105(3) 0.0283(11) Uani 1 1 d . . . . .
C4 C 0.5334(3) 1.1440(3) 0.5323(3) 0.0377(13) Uani 1 1 d . . . . .
H4 H 0.561562 1.181950 0.553131 0.045 Uiso 1 1 calc R U . . .
C27 C 0.5971(3) 0.8976(2) 0.1929(4) 0.0370(13) Uani 1 1 d . . . . .
H27 H 0.618009 0.939171 0.182061 0.044 Uiso 1 1 calc R U . . .
C19 C 0.5755(3) 0.7161(3) 0.5152(3) 0.0448(15) Uani 1 1 d . . . . .
H19 H 0.585293 0.694142 0.551261 0.054 Uiso 1 1 calc R U . . .
C31 C 0.5002(3) 0.7063(3) 0.0565(4) 0.0449(15) Uani 1 1 d . . . . .
H31 H 0.539138 0.734897 0.073688 0.054 Uiso 1 1 calc R U . . .
C33 C 0.3884(3) 0.6251(3) -0.0016(4) 0.0449(15) Uani 1 1 d . . . . .
H33 H 0.350114 0.596407 -0.020873 0.054 Uiso 1 1 calc R U . . .
C3 C 0.4909(3) 1.0979(3) 0.5829(3) 0.0404(14) Uani 1 1 d . . . . .
H3 H 0.489441 1.104927 0.637906 0.048 Uiso 1 1 calc R U . . .
C2 C 0.4518(3) 1.0423(3) 0.5499(3) 0.0356(12) Uani 1 1 d . . . . .
H2 H 0.423752 1.011836 0.583782 0.043 Uiso 1 1 calc R U . . .
C22 C 0.5446(3) 0.7797(3) 0.4137(3) 0.0410(14) Uani 1 1 d . . . . .
H22 H 0.532437 0.800532 0.379013 0.049 Uiso 1 1 calc R U . . .
C20 C 0.5908(3) 0.7742(3) 0.5356(4) 0.0473(15) Uani 1 1 d . . . . .
H20 H 0.611868 0.791595 0.583358 0.057 Uiso 1 1 calc R U . . .
C21 C 0.5749(3) 0.8065(3) 0.4851(4) 0.0489(16) Uani 1 1 d . . . . .
H21 H 0.584261 0.845898 0.498387 0.059 Uiso 1 1 calc R U . . .
C28 C 0.6293(3) 0.8671(3) 0.1957(4) 0.0451(15) Uani 1 1 d . . . . .
H28 H 0.671083 0.887991 0.186020 0.054 Uiso 1 1 calc R U . . .
C32 C 0.4842(3) 0.7007(3) -0.0266(4) 0.0538(18) Uani 1 1 d . . . . .
H32 H 0.513978 0.726130 -0.063238 0.065 Uiso 1 1 calc R U . . .
C34 C 0.3985(3) 0.6273(3) 0.0815(3) 0.0355(12) Uani 1 1 d . . . . .
H34 H 0.367358 0.602085 0.116707 0.043 Uiso 1 1 calc R U . . .
B2 B 0.3299(4) 0.9594(3) 0.2039(5) 0.0463(17) Uani 1 1 d . . . . .
B1 B 0.4308(4) 0.3420(4) 0.2680(5) 0.050(2) Uani 1 1 d . . . . .
O1 O 0.6480(4) 0.9189(4) 0.6029(5) 0.0900(19) Uani 0.75 1 d . U P . .
C35 C 0.6840(6) 0.9706(6) 0.6072(8) 0.0931(19) Uani 0.75 1 d . U P . .
H35 H 0.668450 0.996691 0.601313 0.112 Uiso 0.75 1 calc R U P . .
N13 N 0.7408(5) 0.9967(5) 0.6185(7) 0.0950(18) Uani 0.75 1 d . U P . .
C37 C 0.7868(6) 1.0639(6) 0.6236(8) 0.097(2) Uani 0.75 1 d . U P . .
H37A H 0.803572 1.078830 0.570843 0.146 Uiso 0.75 1 calc R U P . .
H37B H 0.818902 1.070215 0.660082 0.146 Uiso 0.75 1 calc R U P . .
H37C H 0.767139 1.085479 0.642991 0.146 Uiso 0.75 1 calc R U P . .
C36 C 0.7658(6) 0.9579(6) 0.6289(9) 0.102(2) Uani 0.75 1 d . U P . .
H36A H 0.738117 0.922829 0.660062 0.153 Uiso 0.75 1 calc R U P . .
H36B H 0.804017 0.979555 0.656841 0.153 Uiso 0.75 1 calc R U P . .
H36C H 0.772031 0.944975 0.576941 0.153 Uiso 0.75 1 calc R U P . .
F9 F 0.38982(17) 0.71024(18) 0.3391(3) 0.0733(13) Uani 1 1 d . . . . .
B3 B 0.333333 0.666667 0.3128(7) 0.038(3) Uani 1 3 d S T P . .
F10 F 0.333333 0.666667 0.2311(8) 0.137(2) Uani 1 3 d S TU P . .


_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 N3 2.205(4) . ?
Ag1 N6 2.300(4) 4_675 ?
Ag1 N11 2.327(4) . ?
Ag1 N9 2.374(4) 2_665 ?
Ag2 N5 2.323(4) . ?
Ag2 N5 2.323(4) 2_775 ?
Ag2 N5 2.323(4) 3_575 ?
Ag3 N7 2.244(4) . ?
Ag3 N2 2.357(4) 3_565 ?
Ag3 N1 2.390(4) 3_565 ?
Ag3 N8 2.577(4) . ?
F2 B1 1.374(8) . ?
N4 C6 1.343(6) . ?
N4 C7 1.385(6) . ?
N4 C8 1.423(6) . ?
N10 C23 1.366(6) . ?
N10 C24 1.375(6) . ?
N10 C25 1.431(6) . ?
F5 B2 1.365(9) . ?
N6 C15 1.327(7) . ?
N6 C16 1.334(7) . ?
N2 C6 1.316(6) . ?
N2 N3 1.374(6) . ?
F1 B1 1.360(9) . ?
N8 C23 1.299(7) . ?
N8 N9 1.376(6) . ?
N11 C26 1.345(6) . ?
N11 C27 1.350(7) . ?
N5 C10 1.322(7) . ?
N5 C9 1.352(6) . ?
F7 B2 1.396(9) . ?
N1 C1 1.341(6) . ?
N1 C2 1.347(7) . ?
F8 B2 1.364(9) . ?
N9 C24 1.334(6) . ?
N3 C7 1.334(6) . ?
N7 C19 1.338(7) . ?
N7 C18 1.350(7) . ?
F6 B2 1.350(9) . ?
C6 C1 1.480(7) . ?
C16 C17 1.394(7) . ?
C16 H16 0.9300 . ?
N12 C32 1.321(9) . ?
N12 C33 1.328(8) . ?
C8 C9 1.379(7) . ?
C8 C12 1.389(7) . ?
C26 C25 1.393(7) . ?
C26 H26 0.9300 . ?
C7 C13 1.453(6) . ?
C9 H9 0.9300 . ?
C23 C18 1.462(7) . ?
C24 C30 1.458(7) . ?
C25 C29 1.357(8) . ?
F3 B1 1.322(9) . ?
C13 C17 1.365(7) . ?
C13 C14 1.385(7) . ?
C17 H17 0.9300 . ?
C18 C22 1.402(8) . ?
C1 C5 1.379(7) . ?
C14 C15 1.398(7) . ?
C14 H14 0.9300 . ?
C10 C11 1.379(8) . ?
C10 H10 0.9300 . ?
F4 B1 1.411(11) . ?
C15 H15 0.9300 . ?
C5 C4 1.393(7) . ?
C5 H5 0.9300 . ?
C11 C12 1.378(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C29 C28 1.392(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.364(8) . ?
C30 C34 1.406(8) . ?
C4 C3 1.403(8) . ?
C4 H4 0.9300 . ?
C27 C28 1.378(8) . ?
C27 H27 0.9300 . ?
C19 C20 1.364(9) . ?
C19 H19 0.9300 . ?
C31 C32 1.418(8) . ?
C31 H31 0.9300 . ?
C33 C34 1.392(8) . ?
C33 H33 0.9300 . ?
C3 C2 1.368(8) . ?
C3 H3 0.9300 . ?
C2 H2 0.9300 . ?
C22 C21 1.387(8) . ?
C22 H22 0.9300 . ?
C20 C21 1.363(9) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C28 H28 0.9300 . ?
C32 H32 0.9300 . ?
C34 H34 0.9300 . ?
O1 C35 1.164(14) . ?
C35 N13 1.262(16) . ?
C35 H35 0.9300 . ?
N13 C36 1.420(17) . ?
N13 C37 1.512(15) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
F9 B3 1.370(5) . ?
B3 F10 1.350(16) . ?

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
N3 Ag1 N6 115.76(15) . 4_675 ?
N3 Ag1 N11 125.60(15) . . ?
N6 Ag1 N11 100.26(16) 4_675 . ?
N3 Ag1 N9 105.81(15) . 2_665 ?
N6 Ag1 N9 112.01(15) 4_675 2_665 ?
N11 Ag1 N9 95.69(15) . 2_665 ?
N5 Ag2 N5 112.42(10) . 2_775 ?
N5 Ag2 N5 112.42(10) . 3_575 ?
N5 Ag2 N5 112.42(10) 2_775 3_575 ?
N7 Ag3 N2 154.78(16) . 3_565 ?
N7 Ag3 N1 120.56(16) . 3_565 ?
N2 Ag3 N1 71.94(14) 3_565 3_565 ?
N7 Ag3 N8 71.02(16) . . ?
N2 Ag3 N8 94.81(14) 3_565 . ?
N1 Ag3 N8 166.65(14) 3_565 . ?
C6 N4 C7 105.5(4) . . ?
C6 N4 C8 129.7(4) . . ?
C7 N4 C8 124.3(4) . . ?
C23 N10 C24 105.3(4) . . ?
C23 N10 C25 127.2(4) . . ?
C24 N10 C25 127.5(4) . . ?
C15 N6 C16 118.7(4) . . ?
C15 N6 Ag1 120.0(3) . 4_675 ?
C16 N6 Ag1 120.1(4) . 4_675 ?
C6 N2 N3 108.2(4) . . ?
C6 N2 Ag3 109.0(3) . 2_665 ?
N3 N2 Ag3 131.2(3) . 2_665 ?
C23 N8 N9 108.3(4) . . ?
C23 N8 Ag3 101.5(3) . . ?
N9 N8 Ag3 132.5(3) . . ?
C26 N11 C27 117.5(5) . . ?
C26 N11 Ag1 116.7(3) . . ?
C27 N11 Ag1 125.1(4) . . ?
C10 N5 C9 116.8(4) . . ?
C10 N5 Ag2 116.8(3) . . ?
C9 N5 Ag2 125.4(3) . . ?
C1 N1 C2 117.5(5) . . ?
C1 N1 Ag3 114.1(3) . 2_665 ?
C2 N1 Ag3 127.0(4) . 2_665 ?
C24 N9 N8 107.2(4) . . ?
C24 N9 Ag1 121.8(3) . 3_565 ?
N8 N9 Ag1 118.7(3) . 3_565 ?
C7 N3 N2 106.9(4) . . ?
C7 N3 Ag1 131.7(3) . . ?
N2 N3 Ag1 121.4(3) . . ?
C19 N7 C18 118.0(5) . . ?
C19 N7 Ag3 123.8(4) . . ?
C18 N7 Ag3 118.1(4) . . ?
N2 C6 N4 110.5(4) . . ?
N2 C6 C1 121.0(4) . . ?
N4 C6 C1 128.4(4) . . ?
N6 C16 C17 122.0(5) . . ?
N6 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C32 N12 C33 116.7(5) . . ?
C9 C8 C12 120.5(4) . . ?
C9 C8 N4 120.2(4) . . ?
C12 C8 N4 119.3(5) . . ?
N11 C26 C25 121.4(5) . . ?
N11 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
N3 C7 N4 109.0(4) . . ?
N3 C7 C13 124.6(4) . . ?
N4 C7 C13 126.3(4) . . ?
N5 C9 C8 122.3(4) . . ?
N5 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
N8 C23 N10 110.3(5) . . ?
N8 C23 C18 123.2(5) . . ?
N10 C23 C18 126.5(5) . . ?
N9 C24 N10 108.9(4) . . ?
N9 C24 C30 123.6(5) . . ?
N10 C24 C30 127.4(4) . . ?
C29 C25 C26 121.6(5) . . ?
C29 C25 N10 120.8(5) . . ?
C26 C25 N10 117.6(4) . . ?
C17 C13 C14 119.3(5) . . ?
C17 C13 C7 121.2(4) . . ?
C14 C13 C7 119.5(4) . . ?
C13 C17 C16 119.3(5) . . ?
C13 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
N7 C18 C22 120.9(5) . . ?
N7 C18 C23 115.5(5) . . ?
C22 C18 C23 123.6(5) . . ?
N1 C1 C5 123.3(5) . . ?
N1 C1 C6 114.2(4) . . ?
C5 C1 C6 122.2(5) . . ?
C13 C14 C15 118.0(5) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
N5 C10 C11 124.0(5) . . ?
N5 C10 H10 118.0 . . ?
C11 C10 H10 118.0 . . ?
N6 C15 C14 122.8(5) . . ?
N6 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
C1 C5 C4 118.7(5) . . ?
C1 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C12 C11 C10 119.9(5) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C8 116.5(5) . . ?
C11 C12 H12 121.7 . . ?
C8 C12 H12 121.7 . . ?
C25 C29 C28 116.8(5) . . ?
C25 C29 H29 121.6 . . ?
C28 C29 H29 121.6 . . ?
C31 C30 C34 118.5(5) . . ?
C31 C30 C24 124.0(5) . . ?
C34 C30 C24 117.4(5) . . ?
C5 C4 C3 118.3(5) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
N11 C27 C28 122.7(5) . . ?
N11 C27 H27 118.7 . . ?
C28 C27 H27 118.7 . . ?
N7 C19 C20 123.7(6) . . ?
N7 C19 H19 118.1 . . ?
C20 C19 H19 118.1 . . ?
C30 C31 C32 118.3(6) . . ?
C30 C31 H31 120.8 . . ?
C32 C31 H31 120.8 . . ?
N12 C33 C34 124.3(6) . . ?
N12 C33 H33 117.9 . . ?
C34 C33 H33 117.9 . . ?
C2 C3 C4 118.7(5) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
N1 C2 C3 123.5(5) . . ?
N1 C2 H2 118.3 . . ?
C3 C2 H2 118.3 . . ?
C21 C22 C18 119.1(5) . . ?
C21 C22 H22 120.4 . . ?
C18 C22 H22 120.4 . . ?
C21 C20 C19 119.1(6) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C21 C22 119.0(6) . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C27 C28 C29 120.1(5) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
N12 C32 C31 124.0(6) . . ?
N12 C32 H32 118.0 . . ?
C31 C32 H32 118.0 . . ?
C33 C34 C30 118.1(6) . . ?
C33 C34 H34 121.0 . . ?
C30 C34 H34 121.0 . . ?
F6 B2 F8 111.5(7) . . ?
F6 B2 F5 111.9(6) . . ?
F8 B2 F5 111.6(6) . . ?
F6 B2 F7 107.2(6) . . ?
F8 B2 F7 106.2(6) . . ?
F5 B2 F7 108.2(6) . . ?
F3 B1 F1 110.0(6) . . ?
F3 B1 F2 115.0(7) . . ?
F1 B1 F2 111.4(6) . . ?
F3 B1 F4 109.2(7) . . ?
F1 B1 F4 102.3(7) . . ?
F2 B1 F4 108.2(6) . . ?
O1 C35 N13 130.2(17) . . ?
O1 C35 H35 114.9 . . ?
N13 C35 H35 114.9 . . ?
C35 N13 C36 116.2(12) . . ?
C35 N13 C37 129.3(14) . . ?
C36 N13 C37 114.5(11) . . ?
N13 C37 H37A 109.5 . . ?
N13 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N13 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N13 C36 H36A 109.5 . . ?
N13 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N13 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
F10 B3 F9 108.5(5) . 3_565 ?
F10 B3 F9 108.5(5) . . ?
F9 B3 F9 110.4(5) 3_565 . ?
F10 B3 F9 108.5(5) . 2_665 ?
F9 B3 F9 110.4(5) 3_565 2_665 ?
F9 B3 F9 110.4(5) . 2_665 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C23 N8 N9 C24 -0.1(6) . . . . ?
Ag3 N8 N9 C24 -126.1(4) . . . . ?
C23 N8 N9 Ag1 142.8(3) . . . 3_565 ?
Ag3 N8 N9 Ag1 16.7(6) . . . 3_565 ?
C6 N2 N3 C7 0.2(6) . . . . ?
Ag3 N2 N3 C7 138.2(4) 2_665 . . . ?
C6 N2 N3 Ag1 178.3(3) . . . . ?
Ag3 N2 N3 Ag1 -43.7(6) 2_665 . . . ?
N3 N2 C6 N4 0.2(6) . . . . ?
Ag3 N2 C6 N4 -147.7(3) 2_665 . . . ?
N3 N2 C6 C1 -175.7(4) . . . . ?
Ag3 N2 C6 C1 36.5(5) 2_665 . . . ?
C7 N4 C6 N2 -0.5(5) . . . . ?
C8 N4 C6 N2 171.9(5) . . . . ?
C7 N4 C6 C1 175.0(5) . . . . ?
C8 N4 C6 C1 -12.6(8) . . . . ?
C15 N6 C16 C17 -0.4(8) . . . . ?
Ag1 N6 C16 C17 166.9(4) 4_675 . . . ?
C6 N4 C8 C9 128.1(6) . . . . ?
C7 N4 C8 C9 -60.8(7) . . . . ?
C6 N4 C8 C12 -53.9(7) . . . . ?
C7 N4 C8 C12 117.2(6) . . . . ?
C27 N11 C26 C25 1.1(7) . . . . ?
Ag1 N11 C26 C25 171.8(4) . . . . ?
N2 N3 C7 N4 -0.5(5) . . . . ?
Ag1 N3 C7 N4 -178.4(3) . . . . ?
N2 N3 C7 C13 -177.0(5) . . . . ?
Ag1 N3 C7 C13 5.1(8) . . . . ?
C6 N4 C7 N3 0.6(5) . . . . ?
C8 N4 C7 N3 -172.3(4) . . . . ?
C6 N4 C7 C13 177.0(5) . . . . ?
C8 N4 C7 C13 4.1(8) . . . . ?
C10 N5 C9 C8 0.5(8) . . . . ?
Ag2 N5 C9 C8 168.5(4) . . . . ?
C12 C8 C9 N5 -0.8(8) . . . . ?
N4 C8 C9 N5 177.1(4) . . . . ?
N9 N8 C23 N10 -0.3(6) . . . . ?
Ag3 N8 C23 N10 142.2(3) . . . . ?
N9 N8 C23 C18 -178.8(5) . . . . ?
Ag3 N8 C23 C18 -36.2(6) . . . . ?
C24 N10 C23 N8 0.5(6) . . . . ?
C25 N10 C23 N8 -177.9(5) . . . . ?
C24 N10 C23 C18 178.9(5) . . . . ?
C25 N10 C23 C18 0.5(8) . . . . ?
N8 N9 C24 N10 0.4(6) . . . . ?
Ag1 N9 C24 N10 -141.0(3) 3_565 . . . ?
N8 N9 C24 C30 179.2(5) . . . . ?
Ag1 N9 C24 C30 37.7(7) 3_565 . . . ?
C23 N10 C24 N9 -0.6(6) . . . . ?
C25 N10 C24 N9 177.9(4) . . . . ?
C23 N10 C24 C30 -179.2(5) . . . . ?
C25 N10 C24 C30 -0.8(8) . . . . ?
N11 C26 C25 C29 -1.8(8) . . . . ?
N11 C26 C25 N10 177.1(4) . . . . ?
C23 N10 C25 C29 77.7(7) . . . . ?
C24 N10 C25 C29 -100.4(6) . . . . ?
C23 N10 C25 C26 -101.2(6) . . . . ?
C24 N10 C25 C26 80.7(6) . . . . ?
N3 C7 C13 C17 119.0(6) . . . . ?
N4 C7 C13 C17 -56.9(7) . . . . ?
N3 C7 C13 C14 -58.4(7) . . . . ?
N4 C7 C13 C14 125.8(5) . . . . ?
C14 C13 C17 C16 1.1(7) . . . . ?
C7 C13 C17 C16 -176.2(5) . . . . ?
N6 C16 C17 C13 -0.1(8) . . . . ?
C19 N7 C18 C22 -2.2(9) . . . . ?
Ag3 N7 C18 C22 179.4(5) . . . . ?
C19 N7 C18 C23 -179.7(5) . . . . ?
Ag3 N7 C18 C23 2.0(7) . . . . ?
N8 C23 C18 N7 28.3(8) . . . . ?
N10 C23 C18 N7 -149.9(5) . . . . ?
N8 C23 C18 C22 -149.1(6) . . . . ?
N10 C23 C18 C22 32.7(9) . . . . ?
C2 N1 C1 C5 2.1(8) . . . . ?
Ag3 N1 C1 C5 -165.0(4) 2_665 . . . ?
C2 N1 C1 C6 176.0(5) . . . . ?
Ag3 N1 C1 C6 9.0(5) 2_665 . . . ?
N2 C6 C1 N1 -32.6(7) . . . . ?
N4 C6 C1 N1 152.4(5) . . . . ?
N2 C6 C1 C5 141.4(5) . . . . ?
N4 C6 C1 C5 -33.6(8) . . . . ?
C17 C13 C14 C15 -1.6(7) . . . . ?
C7 C13 C14 C15 175.8(4) . . . . ?
C9 N5 C10 C11 0.4(8) . . . . ?
Ag2 N5 C10 C11 -168.7(5) . . . . ?
C16 N6 C15 C14 -0.2(8) . . . . ?
Ag1 N6 C15 C14 -167.5(4) 4_675 . . . ?
C13 C14 C15 N6 1.2(7) . . . . ?
N1 C1 C5 C4 -0.2(8) . . . . ?
C6 C1 C5 C4 -173.7(5) . . . . ?
N5 C10 C11 C12 -0.9(10) . . . . ?
C10 C11 C12 C8 0.6(9) . . . . ?
C9 C8 C12 C11 0.2(8) . . . . ?
N4 C8 C12 C11 -177.8(5) . . . . ?
C26 C25 C29 C28 1.0(9) . . . . ?
N10 C25 C29 C28 -177.8(5) . . . . ?
N9 C24 C30 C31 -138.6(6) . . . . ?
N10 C24 C30 C31 39.9(8) . . . . ?
N9 C24 C30 C34 37.8(7) . . . . ?
N10 C24 C30 C34 -143.7(5) . . . . ?
C1 C5 C4 C3 -1.9(8) . . . . ?
C26 N11 C27 C28 0.2(9) . . . . ?
Ag1 N11 C27 C28 -169.6(5) . . . . ?
C18 N7 C19 C20 -0.7(10) . . . . ?
Ag3 N7 C19 C20 177.6(5) . . . . ?
C34 C30 C31 C32 -1.6(9) . . . . ?
C24 C30 C31 C32 174.8(6) . . . . ?
C32 N12 C33 C34 2.0(10) . . . . ?
C5 C4 C3 C2 2.0(8) . . . . ?
C1 N1 C2 C3 -2.0(8) . . . . ?
Ag3 N1 C2 C3 163.2(4) 2_665 . . . ?
C4 C3 C2 N1 -0.1(9) . . . . ?
N7 C18 C22 C21 3.3(10) . . . . ?
C23 C18 C22 C21 -179.4(6) . . . . ?
N7 C19 C20 C21 2.4(11) . . . . ?
C19 C20 C21 C22 -1.2(11) . . . . ?
C18 C22 C21 C20 -1.5(11) . . . . ?
N11 C27 C28 C29 -1.0(10) . . . . ?
C25 C29 C28 C27 0.3(10) . . . . ?
C33 N12 C32 C31 -0.8(11) . . . . ?
C30 C31 C32 N12 0.6(11) . . . . ?
N12 C33 C34 C30 -3.0(9) . . . . ?
C31 C30 C34 C33 2.6(8) . . . . ?
C24 C30 C34 C33 -174.0(5) . . . . ?
O1 C35 N13 C36 -1(2) . . . . ?
O1 C35 N13 C37 179.7(14) . . . . ?

_refine_diff_density_max         1.603
_refine_diff_density_min         -1.547
_refine_diff_density_rms         0.109





#===END

