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

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#                                CCDC 
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#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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data_1
_audit_creation_date             2014-05-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C48 H28 Ag2 N8, 2.75(C H2 Cl2), 2(B F4)'
_chemical_formula_sum            'C50.75 H33.50 Ag2 B2 Cl5.50 F8 N8'
_chemical_formula_weight         1339.69
_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 0.0033 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'

_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                   10.6406(5)
_cell_length_b                   15.5529(8)
_cell_length_c                   16.8867(12)
_cell_angle_alpha                66.629(3)
_cell_angle_beta                 87.281(4)
_cell_angle_gamma                81.087(3)
_cell_volume                     2534.1(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1939
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.88
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.659
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.619745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 ? was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0955 before and 0.0555 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.0977 before and 0.0641 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1327
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16756
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.324
_diffrn_ambient_temperature      123.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12764
_reflns_number_total             16756
_reflns_special_details          
;
 _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, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.947
_refine_diff_density_min         -1.501
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         16756
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0476
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0388P)²+4.7818P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1140
_refine_special_details          
;
 Refined as a 3-component twin.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Sof(F67A)=1-FVAR(1)
 Sof(F67B)=FVAR(1)
 Fixed Sof: Cl74(0.75) Cl75(0.75) Cl77(0.5) Cl80(0.5) C73(0.75) H73A(0.75)
 H73B(0.75) C76(0.5) H76A(0.5) H76B(0.5) C79(0.5) H79A(0.5) H79B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C70(H70A,H70B), C73(H73A,H73B), C76(H76A,H76B), C79(H79A,H79B)
3.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12), C19(H19), C20(H20),
 C21(H21), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28), C34(H34), C35(H35),
  C36(H36), C38(H38), C39(H39), C40(H40), C47(H47), C48(H48), C49(H49),
 C50(H50), C53(H53), C54(H54), C55(H55), C56(H56)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.38322(4) 0.21601(3) 0.92532(3) 0.02125(11) Uani 1 1 d . . . . .
Ag2 Ag 0.43248(4) 0.04377(3) 0.80667(3) 0.02122(11) Uani 1 1 d . . . . .
Cl71 Cl 0.07752(17) 0.76804(12) 0.80420(11) 0.0464(4) Uani 1 1 d . . . . .
Cl72 Cl -0.03437(14) 0.74086(12) 0.66246(11) 0.0372(4) Uani 1 1 d . . . . .
Cl74 Cl 0.4661(3) 0.2173(3) 0.3799(3) 0.0892(11) Uani 0.75 1 d . . P . .
Cl75 Cl 0.6367(5) 0.3674(4) 0.3019(3) 0.1309(17) Uani 0.75 1 d . . P . .
Cl77 Cl 0.4973(6) 0.6111(6) 0.4366(5) 0.147(4) Uani 0.5 1 d . . P . .
Cl78 Cl 0.4119(2) 0.7312(2) 0.26559(19) 0.1001(10) Uani 1 1 d . . . . .
Cl80 Cl 0.5131(4) 0.5418(4) 0.3994(3) 0.0633(12) Uani 0.5 1 d . . P . .
F61 F 0.1772(4) 0.8532(3) 0.5178(2) 0.0533(11) Uani 1 1 d . . . . .
F62 F 0.1039(4) 0.9864(3) 0.4017(3) 0.0504(10) Uani 1 1 d . . . . .
F63 F 0.1653(4) 0.8487(2) 0.3863(2) 0.0411(9) Uani 1 1 d . . . . .
F64 F 0.3114(3) 0.9250(3) 0.4140(2) 0.0477(10) Uani 1 1 d . . . . .
F66 F 0.2989(5) 0.5657(3) 0.1623(3) 0.0720(14) Uani 1 1 d . . . . .
F67A F 0.2012(6) 0.5563(4) 0.0593(3) 0.0448(19) Uani 0.672(10) 1 d . . P A 1
F67B F 0.400(2) 0.4277(14) 0.2175(11) 0.133(11) Uani 0.328(10) 1 d . . P A 2
F68 F 0.3893(6) 0.4740(4) 0.0908(4) 0.108(2) Uani 1 1 d . . . . .
F69 F 0.2291(5) 0.4298(3) 0.1827(3) 0.0703(14) Uani 1 1 d . . . . .
N1 N 0.5688(4) 0.1047(3) 0.9431(3) 0.0181(10) Uani 1 1 d . . . . .
N2 N 0.5848(4) 0.0458(3) 0.9011(3) 0.0168(10) Uani 1 1 d . . . . .
N17 N 0.6074(4) 0.1183(3) 1.1364(3) 0.0194(10) Uani 1 1 d . . . . .
N23 N 0.6876(4) -0.1818(3) 0.9272(3) 0.0162(9) Uani 1 1 d . . . . .
N29 N 0.2618(4) 0.2428(3) 0.7999(3) 0.0177(10) Uani 1 1 d . . . . .
N30 N 0.2790(4) 0.1821(3) 0.7604(3) 0.0185(10) Uani 1 1 d . . . . .
N45 N 0.3805(4) 0.0812(3) 0.6595(3) 0.0191(10) Uani 1 1 d . . . . .
N51 N 0.2971(4) 0.3803(3) 0.8611(3) 0.0243(11) Uani 1 1 d . . . . .
C3 C 0.6826(5) -0.0260(3) 0.9226(3) 0.0158(11) Uani 1 1 d . . . . .
C4 C 0.7710(5) -0.0416(4) 0.9874(3) 0.0161(11) Uani 1 1 d . . . . .
C5 C 0.8858(5) -0.1116(4) 1.0216(3) 0.0183(11) Uani 1 1 d . . . . .
C6 C 0.9500(5) -0.1884(4) 1.0068(3) 0.0200(11) Uani 1 1 d . . . . .
H6 H 0.9216 -0.2047 0.9628 0.024 Uiso 1 1 calc R . . . .
C7 C 1.0588(5) -0.2423(4) 1.0583(4) 0.0230(12) Uani 1 1 d . . . . .
H7 H 1.1031 -0.2948 1.0481 0.028 Uiso 1 1 calc R . . . .
C8 C 1.1019(5) -0.2200(4) 1.1233(4) 0.0226(13) Uani 1 1 d . . . . .
H8 H 1.1742 -0.2579 1.1573 0.027 Uiso 1 1 calc R . . . .
C9 C 1.0389(4) -0.1412(4) 1.1392(3) 0.0195(10) Uani 1 1 d . . . . .
C10 C 1.0717(5) -0.1096(4) 1.2026(4) 0.0221(13) Uani 1 1 d . . . . .
H10 H 1.1428 -0.1429 1.2399 0.027 Uiso 1 1 calc R . . . .
C11 C 1.0018(5) -0.0317(4) 1.2104(4) 0.0226(12) Uani 1 1 d . . . . .
H11 H 1.0261 -0.0118 1.2531 0.027 Uiso 1 1 calc R . . . .
C12 C 0.8938(5) 0.0204(4) 1.1564(3) 0.0201(11) Uani 1 1 d . . . . .
H12 H 0.8472 0.0747 1.1624 0.024 Uiso 1 1 calc R . . . .
C13 C 0.8581(5) -0.0096(4) 1.0951(3) 0.0159(11) Uani 1 1 d . . . . .
C14 C 0.9325(4) -0.0893(3) 1.0871(3) 0.0170(10) Uani 1 1 d . . . . .
C15 C 0.7550(5) 0.0196(3) 1.0311(3) 0.0161(11) Uani 1 1 d . . . . .
C16 C 0.6506(5) 0.0929(3) 1.0063(3) 0.0168(11) Uani 1 1 d . . . . .
C18 C 0.6227(5) 0.1600(4) 1.0503(3) 0.0168(11) Uani 1 1 d . . . . .
C19 C 0.6174(5) 0.2566(4) 1.0056(4) 0.0202(12) Uani 1 1 d . . . . .
H19 H 0.6282 0.2830 0.9448 0.024 Uiso 1 1 calc R . . . .
C20 C 0.5960(5) 0.3142(4) 1.0511(4) 0.0252(13) Uani 1 1 d . . . . .
H20 H 0.5913 0.3809 1.0223 0.030 Uiso 1 1 calc R . . . .
C21 C 0.5816(5) 0.2725(4) 1.1398(4) 0.0241(12) Uani 1 1 d . . . . .
H21 H 0.5678 0.3101 1.1729 0.029 Uiso 1 1 calc R . . . .
C22 C 0.5878(5) 0.1751(4) 1.1790(4) 0.0208(12) Uani 1 1 d . . . . .
H22 H 0.5775 0.1472 1.2398 0.025 Uiso 1 1 calc R . . . .
C24 C 0.6900(5) -0.0900(4) 0.8761(3) 0.0159(11) Uani 1 1 d . . . . .
C25 C 0.7050(5) -0.0580(4) 0.7878(3) 0.0189(11) Uani 1 1 d . . . . .
H25 H 0.7042 0.0075 0.7537 0.023 Uiso 1 1 calc R . . . .
C26 C 0.7213(5) -0.1230(4) 0.7500(4) 0.0214(12) Uani 1 1 d . . . . .
H26 H 0.7325 -0.1030 0.6895 0.026 Uiso 1 1 calc R . . . .
C27 C 0.7210(5) -0.2178(4) 0.8017(4) 0.0242(12) Uani 1 1 d . . . . .
H27 H 0.7327 -0.2641 0.7774 0.029 Uiso 1 1 calc R . . . .
C28 C 0.7032(5) -0.2438(4) 0.8893(4) 0.0199(11) Uani 1 1 d . . . . .
H28 H 0.7021 -0.3088 0.9244 0.024 Uiso 1 1 calc R . . . .
C31 C 0.2469(5) 0.2112(4) 0.6769(3) 0.0173(11) Uani 1 1 d . . . . .
C32 C 0.2052(5) 0.3070(4) 0.6266(3) 0.0180(11) Uani 1 1 d . . . . .
C33 C 0.1940(5) 0.3611(4) 0.5324(4) 0.0194(11) Uani 1 1 d . . . . .
C34 C 0.2139(5) 0.3399(4) 0.4606(4) 0.0243(12) Uani 1 1 d . . . . .
H34 H 0.2321 0.2761 0.4660 0.029 Uiso 1 1 calc R . . . .
C35 C 0.2065(5) 0.4156(4) 0.3789(4) 0.0275(13) Uani 1 1 d . . . . .
H35 H 0.2195 0.4014 0.3291 0.033 Uiso 1 1 calc R . . . .
C36 C 0.1814(5) 0.5089(4) 0.3681(3) 0.0225(12) Uani 1 1 d . . . . .
H36 H 0.1778 0.5573 0.3117 0.027 Uiso 1 1 calc R . . . .
C37 C 0.1610(5) 0.5336(4) 0.4401(3) 0.0206(12) Uani 1 1 d . . . . .
C38 C 0.1412(5) 0.6246(4) 0.4416(4) 0.0222(12) Uani 1 1 d . . . . .
H38 H 0.1348 0.6789 0.3888 0.027 Uiso 1 1 calc R . . . .
C39 C 0.1308(5) 0.6359(4) 0.5186(4) 0.0264(13) Uani 1 1 d . . . . .
H39 H 0.1169 0.6982 0.5176 0.032 Uiso 1 1 calc R . . . .
C40 C 0.1403(5) 0.5580(4) 0.5991(4) 0.0233(12) Uani 1 1 d . . . . .
H40 H 0.1334 0.5676 0.6514 0.028 Uiso 1 1 calc R . . . .
C41 C 0.1599(5) 0.4675(4) 0.6004(3) 0.0183(11) Uani 1 1 d . . . . .
C42 C 0.1681(5) 0.4568(4) 0.5215(3) 0.0204(12) Uani 1 1 d . . . . .
C43 C 0.1856(5) 0.3707(4) 0.6678(3) 0.0180(11) Uani 1 1 d . . . . .
C44 C 0.2112(5) 0.3346(4) 0.7568(3) 0.0184(11) Uani 1 1 d . . . . .
C46 C 0.2666(5) 0.1369(4) 0.6410(3) 0.0173(11) Uani 1 1 d . . . . .
C47 C 0.1728(5) 0.1279(4) 0.5913(3) 0.0233(12) Uani 1 1 d . . . . .
H47 H 0.0924 0.1672 0.5814 0.028 Uiso 1 1 calc R . . . .
C48 C 0.2000(6) 0.0598(4) 0.5564(4) 0.0280(13) Uani 1 1 d . . . . .
H48 H 0.1376 0.0503 0.5234 0.034 Uiso 1 1 calc R . . . .
C49 C 0.3191(5) 0.0062(4) 0.5706(4) 0.0264(13) Uani 1 1 d . . . . .
H49 H 0.3416 -0.0386 0.5452 0.032 Uiso 1 1 calc R . . . .
C50 C 0.4053(5) 0.0189(4) 0.6223(4) 0.0240(13) Uani 1 1 d . . . . .
H50 H 0.4868 -0.0188 0.6319 0.029 Uiso 1 1 calc R . . . .
C52 C 0.1972(5) 0.3924(3) 0.8097(3) 0.0186(11) Uani 1 1 d . . . . .
C53 C 0.0862(5) 0.4553(4) 0.8045(4) 0.0257(13) Uani 1 1 d . . . . .
H53 H 0.0170 0.4608 0.7683 0.031 Uiso 1 1 calc R . . . .
C54 C 0.0792(6) 0.5094(4) 0.8532(4) 0.0346(15) Uani 1 1 d . . . . .
H54 H 0.0043 0.5519 0.8524 0.042 Uiso 1 1 calc R . . . .
C55 C 0.1845(7) 0.5002(4) 0.9033(4) 0.0420(17) Uani 1 1 d . . . . .
H55 H 0.1838 0.5383 0.9356 0.050 Uiso 1 1 calc R . . . .
C56 C 0.2899(6) 0.4353(4) 0.9056(4) 0.0336(15) Uani 1 1 d . . . . .
H56 H 0.3609 0.4294 0.9404 0.040 Uiso 1 1 calc R . . . .
C70 C 0.0591(6) 0.8090(5) 0.6913(4) 0.0383(15) Uani 1 1 d . . . . .
H70A H 0.1439 0.8061 0.6649 0.046 Uiso 1 1 calc R . . . .
H70B H 0.0181 0.8760 0.6681 0.046 Uiso 1 1 calc R . . . .
C73 C 0.5451(13) 0.2866(14) 0.4125(16) 0.179(11) Uani 0.75 1 d . . P . .
H73A H 0.6075 0.2469 0.4591 0.215 Uiso 0.75 1 calc R . P . .
H73B H 0.4846 0.3278 0.4334 0.215 Uiso 0.75 1 calc R . P . .
C76 C 0.4315(16) 0.7290(12) 0.3773(14) 0.081(7) Uani 0.5 1 d . . P . .
H76A H 0.4895 0.7732 0.3769 0.097 Uiso 0.5 1 calc R . P . .
H76B H 0.3485 0.7455 0.4008 0.097 Uiso 0.5 1 calc R . P . .
C79 C 0.4683(13) 0.5993(11) 0.2961(10) 0.051(4) Uani 0.5 1 d . . P . .
H79A H 0.3986 0.5704 0.2843 0.061 Uiso 0.5 1 calc R . P . .
H79B H 0.5408 0.5916 0.2593 0.061 Uiso 0.5 1 calc R . P . .
B60 B 0.1895(7) 0.9020(5) 0.4305(4) 0.0275(15) Uani 1 1 d . . . . .
B65 B 0.2931(11) 0.5010(7) 0.1329(6) 0.062(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.361(4) . ?
Ag1 N23 2.439(4) 2_657 ?
Ag1 N29 2.392(4) . ?
Ag1 N51 2.390(5) . ?
Ag2 N2 2.339(4) . ?
Ag2 N17 2.414(4) 2_657 ?
Ag2 N30 2.368(4) . ?
Ag2 N45 2.388(4) . ?
Cl71 C70 1.765(7) . ?
Cl72 C70 1.769(6) . ?
Cl74 C73 1.72(2) . ?
Cl75 C73 2.09(2) . ?
Cl77 Cl80 1.433(11) . ?
Cl77 C76 1.751(18) . ?
Cl78 C76 1.89(2) . ?
Cl78 C79 1.909(17) . ?
Cl80 C79 1.667(16) . ?
F61 B60 1.374(7) . ?
F62 B60 1.398(8) . ?
F63 B60 1.373(8) . ?
F64 B60 1.386(7) . ?
F66 B65 1.298(9) . ?
F67A B65 1.500(13) . ?
F67B B65 1.76(2) . ?
F68 B65 1.327(10) . ?
F69 B65 1.356(9) . ?
N1 N2 1.350(5) . ?
N1 C16 1.348(7) . ?
N2 C3 1.347(6) . ?
N17 Ag2 2.414(4) 2_657 ?
N17 C18 1.351(7) . ?
N17 C22 1.333(7) . ?
N23 Ag1 2.439(4) 2_657 ?
N23 C24 1.348(6) . ?
N23 C28 1.340(7) . ?
N29 N30 1.342(6) . ?
N29 C44 1.355(7) . ?
N30 C31 1.343(7) . ?
N45 C46 1.346(6) . ?
N45 C50 1.340(7) . ?
N51 C52 1.347(7) . ?
N51 C56 1.337(8) . ?
C3 C4 1.400(7) . ?
C3 C24 1.484(7) . ?
C4 C5 1.472(7) . ?
C4 C15 1.406(7) . ?
C5 C6 1.388(7) . ?
C5 C14 1.415(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.419(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.390(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.420(8) . ?
C9 C10 1.418(8) . ?
C9 C14 1.399(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.427(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.382(7) . ?
C13 C14 1.413(7) . ?
C13 C15 1.465(7) . ?
C15 C16 1.408(7) . ?
C16 C18 1.491(7) . ?
C18 C19 1.382(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.387(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(7) . ?
C22 H22 0.9500 . ?
C24 C25 1.383(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.384(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.382(8) . ?
C28 H28 0.9500 . ?
C31 C32 1.402(7) . ?
C31 C46 1.489(7) . ?
C32 C33 1.476(8) . ?
C32 C43 1.406(7) . ?
C33 C34 1.376(8) . ?
C33 C42 1.409(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.410(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.373(8) . ?
C36 H36 0.9500 . ?
C36 C37 1.410(7) . ?
C37 C38 1.409(8) . ?
C37 C42 1.415(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.377(8) . ?
C39 H39 0.9500 . ?
C39 C40 1.412(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.382(7) . ?
C41 C42 1.404(7) . ?
C41 C43 1.476(7) . ?
C43 C44 1.404(7) . ?
C44 C52 1.487(7) . ?
C46 C47 1.392(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.392(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.379(8) . ?
C49 H49 0.9500 . ?
C49 C50 1.381(8) . ?
C50 H50 0.9500 . ?
C52 C53 1.394(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.385(8) . ?
C54 H54 0.9500 . ?
C54 C55 1.392(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.379(9) . ?
C56 H56 0.9500 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?

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 N23 103.38(14) . 2_657 ?
N1 Ag1 N29 112.32(16) . . ?
N1 Ag1 N51 144.57(15) . . ?
N29 Ag1 N23 129.17(14) . 2_657 ?
N51 Ag1 N23 98.97(15) . 2_657 ?
N51 Ag1 N29 71.58(15) . . ?
N2 Ag2 N17 104.45(15) . 2_657 ?
N2 Ag2 N30 112.54(16) . . ?
N2 Ag2 N45 145.31(15) . . ?
N30 Ag2 N17 127.05(14) . 2_657 ?
N30 Ag2 N45 72.75(15) . . ?
N45 Ag2 N17 97.11(15) . 2_657 ?
Cl80 Cl77 C76 121.6(10) . . ?
C76 Cl78 C79 96.1(6) . . ?
Cl77 Cl80 C79 106.5(7) . . ?
N2 N1 Ag1 122.1(3) . . ?
C16 N1 Ag1 116.5(3) . . ?
C16 N1 N2 120.7(5) . . ?
N1 N2 Ag2 123.5(4) . . ?
C3 N2 Ag2 115.5(3) . . ?
C3 N2 N1 120.2(5) . . ?
C18 N17 Ag2 116.8(3) . 2_657 ?
C22 N17 Ag2 124.7(4) . 2_657 ?
C22 N17 C18 116.8(5) . . ?
C24 N23 Ag1 116.5(3) . 2_657 ?
C28 N23 Ag1 125.2(3) . 2_657 ?
C28 N23 C24 117.3(4) . . ?
N30 N29 Ag1 121.7(3) . . ?
N30 N29 C44 121.0(5) . . ?
C44 N29 Ag1 113.5(3) . . ?
N29 N30 Ag2 123.2(3) . . ?
N29 N30 C31 120.7(5) . . ?
C31 N30 Ag2 111.8(3) . . ?
C46 N45 Ag2 108.0(3) . . ?
C50 N45 Ag2 123.3(4) . . ?
C50 N45 C46 116.6(5) . . ?
C52 N51 Ag1 109.6(3) . . ?
C56 N51 Ag1 121.2(4) . . ?
C56 N51 C52 117.3(5) . . ?
N2 C3 C4 121.9(5) . . ?
N2 C3 C24 116.8(4) . . ?
C4 C3 C24 121.3(5) . . ?
C3 C4 C5 132.9(5) . . ?
C3 C4 C15 118.2(5) . . ?
C15 C4 C5 108.9(5) . . ?
C6 C5 C4 136.7(5) . . ?
C6 C5 C14 118.5(5) . . ?
C14 C5 C4 104.7(4) . . ?
C5 C6 H6 120.5 . . ?
C5 C6 C7 119.0(5) . . ?
C7 C6 H6 120.5 . . ?
C6 C7 H7 119.2 . . ?
C8 C7 C6 121.5(5) . . ?
C8 C7 H7 119.2 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(5) . . ?
C9 C8 H8 119.7 . . ?
C10 C9 C8 127.1(4) . . ?
C14 C9 C8 116.4(5) . . ?
C14 C9 C10 116.5(5) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.6(5) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.0 . . ?
C10 C11 C12 122.0(5) . . ?
C12 C11 H11 119.0 . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 118.7(5) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 C14 118.5(5) . . ?
C12 C13 C15 136.2(5) . . ?
C14 C13 C15 105.3(4) . . ?
C9 C14 C5 123.9(5) . . ?
C9 C14 C13 123.7(5) . . ?
C13 C14 C5 112.4(4) . . ?
C4 C15 C13 108.6(5) . . ?
C4 C15 C16 117.4(5) . . ?
C16 C15 C13 134.0(5) . . ?
N1 C16 C15 121.7(5) . . ?
N1 C16 C18 116.5(5) . . ?
C15 C16 C18 121.8(5) . . ?
N17 C18 C16 114.6(4) . . ?
N17 C18 C19 123.6(5) . . ?
C19 C18 C16 121.8(5) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 C18 118.6(5) . . ?
C20 C19 H19 120.7 . . ?
C19 C20 H20 120.7 . . ?
C19 C20 C21 118.7(5) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 120.6 . . ?
C22 C21 C20 118.8(5) . . ?
C22 C21 H21 120.6 . . ?
N17 C22 C21 123.6(5) . . ?
N17 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
N23 C24 C3 114.8(4) . . ?
N23 C24 C25 122.9(5) . . ?
C25 C24 C3 122.2(5) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 C24 118.9(5) . . ?
C26 C25 H25 120.6 . . ?
C25 C26 H26 120.5 . . ?
C25 C26 C27 119.0(5) . . ?
C27 C26 H26 120.5 . . ?
C26 C27 H27 120.7 . . ?
C28 C27 C26 118.7(5) . . ?
C28 C27 H27 120.7 . . ?
N23 C28 C27 123.3(5) . . ?
N23 C28 H28 118.4 . . ?
C27 C28 H28 118.4 . . ?
N30 C31 C32 121.0(5) . . ?
N30 C31 C46 115.8(5) . . ?
C32 C31 C46 123.0(5) . . ?
C31 C32 C33 132.0(5) . . ?
C31 C32 C43 118.3(5) . . ?
C43 C32 C33 109.0(5) . . ?
C34 C33 C32 135.8(5) . . ?
C34 C33 C42 119.0(5) . . ?
C42 C33 C32 104.9(5) . . ?
C33 C34 H34 120.9 . . ?
C33 C34 C35 118.2(5) . . ?
C35 C34 H34 120.9 . . ?
C34 C35 H35 118.6 . . ?
C36 C35 C34 122.9(5) . . ?
C36 C35 H35 118.6 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.7(5) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C42 115.7(5) . . ?
C38 C37 C36 128.4(5) . . ?
C38 C37 C42 115.9(5) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 C37 120.9(5) . . ?
C39 C38 H38 119.6 . . ?
C38 C39 H39 118.9 . . ?
C38 C39 C40 122.1(5) . . ?
C40 C39 H39 118.9 . . ?
C39 C40 H40 120.6 . . ?
C41 C40 C39 118.8(5) . . ?
C41 C40 H40 120.6 . . ?
C40 C41 C42 118.6(5) . . ?
C40 C41 C43 135.5(5) . . ?
C42 C41 C43 105.7(4) . . ?
C33 C42 C37 123.6(5) . . ?
C41 C42 C33 112.5(5) . . ?
C41 C42 C37 123.7(5) . . ?
C32 C43 C41 107.9(5) . . ?
C44 C43 C32 117.8(5) . . ?
C44 C43 C41 133.5(5) . . ?
N29 C44 C43 120.7(5) . . ?
N29 C44 C52 114.5(5) . . ?
C43 C44 C52 124.7(5) . . ?
N45 C46 C31 115.2(4) . . ?
N45 C46 C47 123.5(5) . . ?
C47 C46 C31 121.3(5) . . ?
C46 C47 H47 120.9 . . ?
C48 C47 C46 118.1(5) . . ?
C48 C47 H47 120.9 . . ?
C47 C48 H48 120.6 . . ?
C49 C48 C47 118.8(5) . . ?
C49 C48 H48 120.6 . . ?
C48 C49 H49 120.5 . . ?
C48 C49 C50 118.9(5) . . ?
C50 C49 H49 120.5 . . ?
N45 C50 C49 123.7(5) . . ?
N45 C50 H50 118.1 . . ?
C49 C50 H50 118.1 . . ?
N51 C52 C44 116.1(5) . . ?
N51 C52 C53 123.3(5) . . ?
C53 C52 C44 120.6(5) . . ?
C52 C53 H53 120.8 . . ?
C54 C53 C52 118.4(6) . . ?
C54 C53 H53 120.8 . . ?
C53 C54 H54 120.8 . . ?
C53 C54 C55 118.4(6) . . ?
C55 C54 H54 120.8 . . ?
C54 C55 H55 120.3 . . ?
C56 C55 C54 119.3(6) . . ?
C56 C55 H55 120.3 . . ?
N51 C56 C55 123.1(6) . . ?
N51 C56 H56 118.4 . . ?
C55 C56 H56 118.4 . . ?
Cl71 C70 Cl72 111.7(3) . . ?
Cl71 C70 H70A 109.3 . . ?
Cl71 C70 H70B 109.3 . . ?
Cl72 C70 H70A 109.3 . . ?
Cl72 C70 H70B 109.3 . . ?
H70A C70 H70B 107.9 . . ?
Cl74 C73 Cl75 104.5(12) . . ?
Cl74 C73 H73A 110.9 . . ?
Cl74 C73 H73B 110.9 . . ?
Cl75 C73 H73A 110.9 . . ?
Cl75 C73 H73B 110.9 . . ?
H73A C73 H73B 108.9 . . ?
Cl77 C76 Cl78 102.5(11) . . ?
Cl77 C76 H76A 111.3 . . ?
Cl77 C76 H76B 111.3 . . ?
Cl78 C76 H76A 111.3 . . ?
Cl78 C76 H76B 111.3 . . ?
H76A C76 H76B 109.2 . . ?
Cl78 C79 H79A 109.0 . . ?
Cl78 C79 H79B 109.0 . . ?
Cl80 C79 Cl78 113.0(8) . . ?
Cl80 C79 H79A 109.0 . . ?
Cl80 C79 H79B 109.0 . . ?
H79A C79 H79B 107.8 . . ?
F61 B60 F62 110.1(5) . . ?
F61 B60 F64 109.2(5) . . ?
F63 B60 F61 110.6(5) . . ?
F63 B60 F62 108.7(5) . . ?
F63 B60 F64 110.3(5) . . ?
F64 B60 F62 107.9(5) . . ?
F66 B65 F67A 99.1(8) . . ?
F66 B65 F67B 85.6(10) . . ?
F66 B65 F68 121.6(9) . . ?
F66 B65 F69 115.3(7) . . ?
F68 B65 F67A 99.9(7) . . ?
F68 B65 F67B 77.9(9) . . ?
F68 B65 F69 113.8(8) . . ?
F69 B65 F67A 102.0(8) . . ?
F69 B65 F67B 75.3(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
Ag1 N1 N2 Ag2 -0.7(5) . . . . ?
Ag1 N1 N2 C3 -169.9(3) . . . . ?
Ag1 N1 C16 C15 170.9(4) . . . . ?
Ag1 N1 C16 C18 -7.4(5) . . . . ?
Ag1 N23 C24 C3 15.5(5) 2_657 . . . ?
Ag1 N23 C24 C25 -167.7(4) 2_657 . . . ?
Ag1 N23 C28 C27 167.9(4) 2_657 . . . ?
Ag1 N29 N30 Ag2 -1.3(5) . . . . ?
Ag1 N29 N30 C31 -156.2(3) . . . . ?
Ag1 N29 C44 C43 152.8(4) . . . . ?
Ag1 N29 C44 C52 -22.2(5) . . . . ?
Ag1 N51 C52 C44 -40.4(5) . . . . ?
Ag1 N51 C52 C53 140.0(4) . . . . ?
Ag1 N51 C56 C55 -136.6(5) . . . . ?
Ag2 N2 C3 C4 -170.9(4) . . . . ?
Ag2 N2 C3 C24 7.2(5) . . . . ?
Ag2 N17 C18 C16 -17.1(5) 2_657 . . . ?
Ag2 N17 C18 C19 164.8(4) 2_657 . . . ?
Ag2 N17 C22 C21 -163.9(4) 2_657 . . . ?
Ag2 N30 C31 C32 -151.9(4) . . . . ?
Ag2 N30 C31 C46 24.3(5) . . . . ?
Ag2 N45 C46 C31 41.4(5) . . . . ?
Ag2 N45 C46 C47 -139.2(4) . . . . ?
Ag2 N45 C50 C49 134.7(5) . . . . ?
Cl77 Cl80 C79 Cl78 -0.8(9) . . . . ?
Cl80 Cl77 C76 Cl78 -5.2(11) . . . . ?
N1 N2 C3 C4 -0.8(7) . . . . ?
N1 N2 C3 C24 177.3(4) . . . . ?
N1 C16 C18 N17 121.8(5) . . . . ?
N1 C16 C18 C19 -60.2(6) . . . . ?
N2 N1 C16 C15 -0.1(7) . . . . ?
N2 N1 C16 C18 -178.4(4) . . . . ?
N2 C3 C4 C5 -178.3(5) . . . . ?
N2 C3 C4 C15 0.6(7) . . . . ?
N2 C3 C24 N23 -121.4(5) . . . . ?
N2 C3 C24 C25 61.9(6) . . . . ?
N17 C18 C19 C20 0.4(8) . . . . ?
N23 C24 C25 C26 -1.6(8) . . . . ?
N29 N30 C31 C32 5.6(7) . . . . ?
N29 N30 C31 C46 -178.1(4) . . . . ?
N29 C44 C52 N51 44.2(6) . . . . ?
N29 C44 C52 C53 -136.2(5) . . . . ?
N30 N29 C44 C43 -5.6(7) . . . . ?
N30 N29 C44 C52 179.5(4) . . . . ?
N30 C31 C32 C33 163.1(5) . . . . ?
N30 C31 C32 C43 -6.2(7) . . . . ?
N30 C31 C46 N45 -47.4(6) . . . . ?
N30 C31 C46 C47 133.2(5) . . . . ?
N45 C46 C47 C48 -2.3(8) . . . . ?
N51 C52 C53 C54 1.4(8) . . . . ?
C3 C4 C5 C6 -1.8(10) . . . . ?
C3 C4 C5 C14 -179.8(5) . . . . ?
C3 C4 C15 C13 -179.7(4) . . . . ?
C3 C4 C15 C16 -0.1(7) . . . . ?
C3 C24 C25 C26 174.9(5) . . . . ?
C4 C3 C24 N23 56.7(6) . . . . ?
C4 C3 C24 C25 -120.0(6) . . . . ?
C4 C5 C6 C7 -177.1(5) . . . . ?
C4 C5 C14 C9 177.4(4) . . . . ?
C4 C5 C14 C13 -1.6(5) . . . . ?
C4 C15 C16 N1 -0.1(7) . . . . ?
C4 C15 C16 C18 178.1(4) . . . . ?
C5 C4 C15 C13 -0.5(6) . . . . ?
C5 C4 C15 C16 179.0(4) . . . . ?
C5 C6 C7 C8 0.2(8) . . . . ?
C6 C5 C14 C9 -1.0(7) . . . . ?
C6 C5 C14 C13 180.0(5) . . . . ?
C6 C7 C8 C9 -0.9(8) . . . . ?
C7 C8 C9 C10 -179.8(5) . . . . ?
C7 C8 C9 C14 0.6(7) . . . . ?
C8 C9 C10 C11 179.8(5) . . . . ?
C8 C9 C14 C5 0.4(7) . . . . ?
C8 C9 C14 C13 179.2(4) . . . . ?
C9 C10 C11 C12 0.4(8) . . . . ?
C10 C9 C14 C5 -179.3(4) . . . . ?
C10 C9 C14 C13 -0.4(7) . . . . ?
C10 C11 C12 C13 0.8(8) . . . . ?
C11 C12 C13 C14 -1.7(7) . . . . ?
C11 C12 C13 C15 177.3(5) . . . . ?
C12 C13 C14 C5 -179.5(5) . . . . ?
C12 C13 C14 C9 1.6(7) . . . . ?
C12 C13 C15 C4 -179.5(6) . . . . ?
C12 C13 C15 C16 1.1(10) . . . . ?
C13 C15 C16 N1 179.2(5) . . . . ?
C13 C15 C16 C18 -2.5(8) . . . . ?
C14 C5 C6 C7 0.7(7) . . . . ?
C14 C9 C10 C11 -0.6(7) . . . . ?
C14 C13 C15 C4 -0.4(5) . . . . ?
C14 C13 C15 C16 -179.8(5) . . . . ?
C15 C4 C5 C6 179.3(6) . . . . ?
C15 C4 C5 C14 1.2(5) . . . . ?
C15 C13 C14 C5 1.3(5) . . . . ?
C15 C13 C14 C9 -177.7(4) . . . . ?
C15 C16 C18 N17 -56.6(6) . . . . ?
C15 C16 C18 C19 121.5(6) . . . . ?
C16 N1 N2 Ag2 169.8(3) . . . . ?
C16 N1 N2 C3 0.5(7) . . . . ?
C16 C18 C19 C20 -177.5(5) . . . . ?
C18 N17 C22 C21 0.6(7) . . . . ?
C18 C19 C20 C21 0.4(8) . . . . ?
C19 C20 C21 C22 -0.7(8) . . . . ?
C20 C21 C22 N17 0.2(8) . . . . ?
C22 N17 C18 C16 177.1(4) . . . . ?
C22 N17 C18 C19 -0.9(7) . . . . ?
C24 N23 C28 C27 -0.2(7) . . . . ?
C24 C3 C4 C5 3.7(8) . . . . ?
C24 C3 C4 C15 -177.4(5) . . . . ?
C24 C25 C26 C27 0.5(8) . . . . ?
C25 C26 C27 C28 0.6(8) . . . . ?
C26 C27 C28 N23 -0.7(8) . . . . ?
C28 N23 C24 C3 -175.3(4) . . . . ?
C28 N23 C24 C25 1.4(7) . . . . ?
C31 C32 C33 C34 3.0(10) . . . . ?
C31 C32 C33 C42 -169.8(5) . . . . ?
C31 C32 C43 C41 172.2(4) . . . . ?
C31 C32 C43 C44 1.0(7) . . . . ?
C31 C46 C47 C48 177.0(5) . . . . ?
C32 C31 C46 N45 128.8(5) . . . . ?
C32 C31 C46 C47 -50.6(7) . . . . ?
C32 C33 C34 C35 -172.5(5) . . . . ?
C32 C33 C42 C37 174.4(4) . . . . ?
C32 C33 C42 C41 -1.0(6) . . . . ?
C32 C43 C44 N29 4.7(7) . . . . ?
C32 C43 C44 C52 179.1(5) . . . . ?
C33 C32 C43 C41 0.6(6) . . . . ?
C33 C32 C43 C44 -170.5(4) . . . . ?
C33 C34 C35 C36 0.5(8) . . . . ?
C34 C33 C42 C37 0.1(8) . . . . ?
C34 C33 C42 C41 -175.3(5) . . . . ?
C34 C35 C36 C37 -0.3(8) . . . . ?
C35 C36 C37 C38 176.2(5) . . . . ?
C35 C36 C37 C42 -0.1(7) . . . . ?
C36 C37 C38 C39 -175.7(5) . . . . ?
C36 C37 C42 C33 0.1(7) . . . . ?
C36 C37 C42 C41 175.0(5) . . . . ?
C37 C38 C39 C40 0.4(8) . . . . ?
C38 C37 C42 C33 -176.7(5) . . . . ?
C38 C37 C42 C41 -1.7(7) . . . . ?
C38 C39 C40 C41 -0.3(8) . . . . ?
C39 C40 C41 C42 -0.7(7) . . . . ?
C39 C40 C41 C43 173.6(5) . . . . ?
C40 C41 C42 C33 177.3(5) . . . . ?
C40 C41 C42 C37 1.8(8) . . . . ?
C40 C41 C43 C32 -176.0(6) . . . . ?
C40 C41 C43 C44 -6.9(10) . . . . ?
C41 C43 C44 N29 -163.6(5) . . . . ?
C41 C43 C44 C52 10.8(9) . . . . ?
C42 C33 C34 C35 -0.4(7) . . . . ?
C42 C37 C38 C39 0.6(7) . . . . ?
C42 C41 C43 C32 -1.2(6) . . . . ?
C42 C41 C43 C44 168.0(5) . . . . ?
C43 C32 C33 C34 173.0(6) . . . . ?
C43 C32 C33 C42 0.2(6) . . . . ?
C43 C41 C42 C33 1.4(6) . . . . ?
C43 C41 C42 C37 -174.0(5) . . . . ?
C43 C44 C52 N51 -130.5(5) . . . . ?
C43 C44 C52 C53 49.1(7) . . . . ?
C44 N29 N30 Ag2 155.3(3) . . . . ?
C44 N29 N30 C31 0.3(7) . . . . ?
C44 C52 C53 C54 -178.2(5) . . . . ?
C46 N45 C50 C49 -3.3(8) . . . . ?
C46 C31 C32 C33 -12.9(8) . . . . ?
C46 C31 C32 C43 177.8(5) . . . . ?
C46 C47 C48 C49 -1.7(8) . . . . ?
C47 C48 C49 C50 3.1(8) . . . . ?
C48 C49 C50 N45 -0.5(8) . . . . ?
C50 N45 C46 C31 -174.6(4) . . . . ?
C50 N45 C46 C47 4.8(7) . . . . ?
C52 N51 C56 C55 2.4(9) . . . . ?
C52 C53 C54 C55 1.6(8) . . . . ?
C53 C54 C55 C56 -2.5(9) . . . . ?
C54 C55 C56 N51 0.5(10) . . . . ?
C56 N51 C52 C44 176.2(5) . . . . ?
C56 N51 C52 C53 -3.4(8) . . . . ?
C76 Cl77 Cl80 C79 3.9(10) . . . . ?
C79 Cl78 C76 Cl77 3.5(8) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 1023446'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2
_audit_creation_date             2014-05-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C25 H27 Ag2 N7, C H2 Cl2, 2(F6 P)'
_chemical_formula_sum            'C26 H29 Ag2 Cl2 F12 N7 P2'
_chemical_formula_weight         1016.14
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
P P 0.1023 0.0942 '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                   10.8963(2)
_cell_length_b                   13.6018(4)
_cell_length_c                   13.9028(4)
_cell_angle_alpha                109.104(3)
_cell_angle_beta                 94.569(2)
_cell_angle_gamma                109.486(2)
_cell_volume                     1793.82(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    23358
_cell_measurement_temperature    120.01(10)
_cell_measurement_theta_max      37.4060
_cell_measurement_theta_min      3.2070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.424
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30541
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.997
_diffrn_reflns_theta_min         2.740
_diffrn_ambient_temperature      120.01(10)
_diffrn_detector_area_resol_mean 5.3250
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0040640000
_diffrn_orient_matrix_UB_12      -0.0335653000
_diffrn_orient_matrix_UB_13      0.0289360000
_diffrn_orient_matrix_UB_21      -0.0705180000
_diffrn_orient_matrix_UB_22      -0.0258093000
_diffrn_orient_matrix_UB_23      -0.0111866000
_diffrn_orient_matrix_UB_31      0.0017285000
_diffrn_orient_matrix_UB_32      -0.0421019000
_diffrn_orient_matrix_UB_33      -0.0457145000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9310
_reflns_number_total             10454
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         1.419
_refine_diff_density_min         -1.231
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         10454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.044
_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)+(0.0432P)²+2.9145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0902
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C40(H40A,H40B)
2.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C15(H15), C16(H16), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23)
2.c Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C35(H35A,H35B,H35C), C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.33853(2) 0.34606(2) -0.14951(2) 0.01893(5) Uani 1 1 d . . . . .
Ag2 Ag 0.33060(2) 0.57372(2) -0.03469(2) 0.02036(5) Uani 1 1 d . . . . .
Cl41 Cl 0.34987(16) 0.22261(10) 0.56756(8) 0.0702(3) Uani 1 1 d . . . . .
Cl42 Cl 0.32088(11) 0.08988(9) 0.34804(7) 0.0524(2) Uani 1 1 d . . . . .
P10 P 0.23202(7) 0.78384(6) 0.48617(5) 0.02632(13) Uani 1 1 d . . . . .
P17 P 0.26292(7) 0.07123(6) 0.05359(6) 0.02878(14) Uani 1 1 d . . . . .
F11 F 0.14059(18) 0.73246(18) 0.55628(16) 0.0412(4) Uani 1 1 d . . . . .
F12 F 0.2908(3) 0.90298(18) 0.57928(18) 0.0619(7) Uani 1 1 d . . . . .
F13 F 0.1165(2) 0.81403(19) 0.44279(18) 0.0493(5) Uani 1 1 d . . . . .
F14 F 0.3224(2) 0.8356(2) 0.41623(18) 0.0491(5) Uani 1 1 d . . . . .
F15 F 0.1718(2) 0.66370(17) 0.39284(19) 0.0564(6) Uani 1 1 d . . . . .
F16 F 0.3474(2) 0.7519(2) 0.5291(2) 0.0593(7) Uani 1 1 d . . . . .
F18 F 0.1886(2) 0.14425(19) 0.0268(2) 0.0595(6) Uani 1 1 d . . . . .
F19 F 0.16447(19) -0.03802(17) -0.04178(17) 0.0462(5) Uani 1 1 d . . . . .
F20 F 0.3625(2) 0.18005(17) 0.15050(17) 0.0487(5) Uani 1 1 d . . . . .
F21 F 0.1637(2) 0.0411(2) 0.12694(19) 0.0561(6) Uani 1 1 d . . . . .
F22 F 0.3381(2) -0.00287(17) 0.08063(19) 0.0473(5) Uani 1 1 d . . . . .
F23 F 0.3632(2) 0.10039(19) -0.01909(19) 0.0528(5) Uani 1 1 d . . . . .
N1 N 0.35189(18) 0.39024(16) 0.02901(14) 0.0155(3) Uani 1 1 d . . . . .
N11 N 0.46522(18) 0.41896(16) 0.09433(14) 0.0151(3) Uani 1 1 d . . . . .
N12 N 0.1288(2) 0.42952(18) -0.05813(15) 0.0192(4) Uani 1 1 d . . . . .
N18 N 0.69634(19) 0.56740(17) 0.25988(14) 0.0178(4) Uani 1 1 d . . . . .
N30 N 0.2764(3) 0.7011(2) -0.0876(2) 0.0355(5) Uani 1 1 d . . . . .
N33 N 0.1960(3) 0.1639(2) -0.2299(2) 0.0434(7) Uani 1 1 d . . . . .
N36 N 0.5545(3) 0.3138(2) -0.14320(19) 0.0327(5) Uani 1 1 d . . . . .
C2 C 0.2401(2) 0.38311(18) 0.06537(16) 0.0153(4) Uani 1 1 d . . . . .
C3 C 0.2354(2) 0.40714(18) 0.17070(16) 0.0151(4) Uani 1 1 d . . . . .
C4 C 0.1087(2) 0.3982(2) 0.20886(18) 0.0194(4) Uani 1 1 d . . . . .
H4A H 0.0387 0.3817 0.1514 0.023 Uiso 1 1 calc R . . . .
H4B H 0.1211 0.4702 0.2617 0.023 Uiso 1 1 calc R . . . .
C5 C 0.0644(2) 0.3065(2) 0.25489(19) 0.0240(5) Uani 1 1 d . . . . .
H5A H -0.0307 0.2834 0.2520 0.029 Uiso 1 1 calc R . . . .
H5B H 0.0802 0.2413 0.2122 0.029 Uiso 1 1 calc R . . . .
C6 C 0.1363(2) 0.3446(2) 0.36719(18) 0.0243(5) Uani 1 1 d . . . . .
H6A H 0.1206 0.4100 0.4092 0.029 Uiso 1 1 calc R . . . .
H6B H 0.0971 0.2852 0.3926 0.029 Uiso 1 1 calc R . . . .
C7 C 0.2862(2) 0.3740(2) 0.38384(18) 0.0219(4) Uani 1 1 d . . . . .
H7A H 0.3027 0.3087 0.3425 0.026 Uiso 1 1 calc R . . . .
H7B H 0.3210 0.3917 0.4565 0.026 Uiso 1 1 calc R . . . .
C8 C 0.3620(2) 0.4740(2) 0.35441(16) 0.0182(4) Uani 1 1 d . . . . .
H8A H 0.3251 0.5314 0.3778 0.022 Uiso 1 1 calc R . . . .
H8B H 0.4547 0.5065 0.3903 0.022 Uiso 1 1 calc R . . . .
C9 C 0.3549(2) 0.44060(18) 0.23908(16) 0.0145(4) Uani 1 1 d . . . . .
C10 C 0.4668(2) 0.44288(18) 0.19577(16) 0.0148(4) Uani 1 1 d . . . . .
C13 C 0.1205(2) 0.35296(19) -0.01505(16) 0.0166(4) Uani 1 1 d . . . . .
C14 C 0.0099(2) 0.2546(2) -0.04151(19) 0.0226(4) Uani 1 1 d . . . . .
H14 H 0.0079 0.2036 -0.0100 0.027 Uiso 1 1 calc R . . . .
C15 C -0.0983(2) 0.2334(3) -0.1160(2) 0.0285(5) Uani 1 1 d . . . . .
H15 H -0.1736 0.1675 -0.1359 0.034 Uiso 1 1 calc R . . . .
C16 C -0.0916(3) 0.3124(3) -0.1599(2) 0.0291(5) Uani 1 1 d . . . . .
H16 H -0.1631 0.3009 -0.2092 0.035 Uiso 1 1 calc R . . . .
C17 C 0.0225(3) 0.4084(2) -0.12930(19) 0.0251(5) Uani 1 1 d . . . . .
H17 H 0.0261 0.4610 -0.1592 0.030 Uiso 1 1 calc R . . . .
C19 C 0.6000(2) 0.47516(19) 0.26047(16) 0.0156(4) Uani 1 1 d . . . . .
C20 C 0.6215(2) 0.4121(2) 0.31584(17) 0.0196(4) Uani 1 1 d . . . . .
H20 H 0.5522 0.3494 0.3155 0.024 Uiso 1 1 calc R . . . .
C21 C 0.7497(3) 0.4452(2) 0.37193(18) 0.0235(5) Uani 1 1 d . . . . .
H21 H 0.7681 0.4040 0.4088 0.028 Uiso 1 1 calc R . . . .
C22 C 0.8492(2) 0.5403(2) 0.37203(18) 0.0242(5) Uani 1 1 d . . . . .
H22 H 0.9355 0.5637 0.4089 0.029 Uiso 1 1 calc R . . . .
C23 C 0.8190(2) 0.6002(2) 0.31677(18) 0.0221(5) Uani 1 1 d . . . . .
H23 H 0.8857 0.6654 0.3190 0.027 Uiso 1 1 calc R . . . .
C31 C 0.3050(3) 0.7659(2) -0.1249(2) 0.0277(5) Uani 1 1 d . . . . .
C32 C 0.3429(3) 0.8472(2) -0.1746(2) 0.0314(6) Uani 1 1 d . . . . .
H32A H 0.3002 0.8114 -0.2470 0.047 Uiso 1 1 calc GR . . . .
H32B H 0.4378 0.8758 -0.1678 0.047 Uiso 1 1 calc GR . . . .
H32C H 0.3157 0.9082 -0.1416 0.047 Uiso 1 1 calc GR . . . .
C34 C 0.1298(3) 0.0735(3) -0.2532(2) 0.0350(6) Uani 1 1 d . . . . .
C35 C 0.0472(4) -0.0439(3) -0.2803(4) 0.0538(10) Uani 1 1 d . . . . .
H35A H 0.0920 -0.0901 -0.3162 0.081 Uiso 1 1 calc GR . . . .
H35B H -0.0359 -0.0622 -0.3246 0.081 Uiso 1 1 calc GR . . . .
H35C H 0.0306 -0.0573 -0.2180 0.081 Uiso 1 1 calc GR . . . .
C37 C 0.5374(3) 0.2218(2) -0.1846(2) 0.0261(5) Uani 1 1 d . . . . .
C38 C 0.5160(4) 0.1046(3) -0.2355(3) 0.0425(7) Uani 1 1 d . . . . .
H38A H 0.5746 0.0974 -0.2830 0.064 Uiso 1 1 calc GR . . . .
H38B H 0.4252 0.0631 -0.2731 0.064 Uiso 1 1 calc GR . . . .
H38C H 0.5337 0.0753 -0.1841 0.064 Uiso 1 1 calc GR . . . .
C40 C 0.3548(4) 0.0992(3) 0.4764(3) 0.0401(7) Uani 1 1 d . . . . .
H40A H 0.4423 0.0975 0.4916 0.048 Uiso 1 1 calc R . . . .
H40B H 0.2901 0.0342 0.4835 0.048 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 Ag2 3.0182(3) . ?
Ag1 N1 2.3346(18) . ?
Ag1 N18 2.296(2) 2_665 ?
Ag1 N33 2.268(3) . ?
Ag1 N36 2.534(2) . ?
Ag2 N11 2.4181(18) 2_665 ?
Ag2 N12 2.319(2) . ?
Ag2 N30 2.310(2) . ?
Ag2 N36 2.404(2) 2_665 ?
Cl41 C40 1.762(3) . ?
Cl42 C40 1.747(4) . ?
P10 F11 1.6022(19) . ?
P10 F12 1.586(2) . ?
P10 F13 1.582(2) . ?
P10 F14 1.597(2) . ?
P10 F15 1.596(2) . ?
P10 F16 1.594(2) . ?
P17 F18 1.585(2) . ?
P17 F19 1.593(2) . ?
P17 F20 1.604(2) . ?
P17 F21 1.591(2) . ?
P17 F22 1.606(2) . ?
P17 F23 1.588(2) . ?
N1 N11 1.330(2) . ?
N1 C2 1.341(3) . ?
N11 Ag2 2.4181(18) 2_665 ?
N11 C10 1.337(3) . ?
N12 C13 1.344(3) . ?
N12 C17 1.346(3) . ?
N18 Ag1 2.296(2) 2_665 ?
N18 C19 1.344(3) . ?
N18 C23 1.347(3) . ?
N30 C31 1.135(4) . ?
N33 C34 1.118(4) . ?
N36 Ag2 2.404(2) 2_665 ?
N36 C37 1.134(4) . ?
C2 C3 1.401(3) . ?
C2 C13 1.493(3) . ?
C3 C4 1.500(3) . ?
C3 C9 1.389(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.540(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.525(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.524(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.539(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.504(3) . ?
C9 C10 1.398(3) . ?
C10 C19 1.489(3) . ?
C13 C14 1.382(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.384(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.379(4) . ?
C17 H17 0.9300 . ?
C19 C20 1.386(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.393(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.382(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(4) . ?
C23 H23 0.9300 . ?
C31 C32 1.452(4) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C34 C35 1.447(4) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C37 C38 1.443(4) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?

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 Ag2 66.17(5) . . ?
N1 Ag1 N36 92.72(7) . . ?
N18 Ag1 Ag2 67.67(5) 2_665 . ?
N18 Ag1 N1 133.63(7) 2_665 . ?
N18 Ag1 N36 115.34(8) 2_665 . ?
N33 Ag1 Ag2 139.07(8) . . ?
N33 Ag1 N1 106.51(9) . . ?
N33 Ag1 N18 105.06(9) . 2_665 ?
N33 Ag1 N36 98.17(10) . . ?
N36 Ag1 Ag2 121.76(6) . . ?
N11 Ag2 Ag1 65.70(4) 2_665 . ?
N12 Ag2 Ag1 68.58(5) . . ?
N12 Ag2 N11 134.03(7) . 2_665 ?
N12 Ag2 N36 115.53(8) . 2_665 ?
N30 Ag2 Ag1 133.63(7) . . ?
N30 Ag2 N11 102.54(8) . 2_665 ?
N30 Ag2 N12 105.21(9) . . ?
N30 Ag2 N36 102.20(9) . 2_665 ?
N36 Ag2 Ag1 122.35(6) 2_665 . ?
N36 Ag2 N11 93.07(7) 2_665 2_665 ?
F12 P10 F11 89.75(13) . . ?
F12 P10 F14 90.08(13) . . ?
F12 P10 F15 179.55(15) . . ?
F12 P10 F16 90.11(15) . . ?
F13 P10 F11 89.94(12) . . ?
F13 P10 F12 90.51(14) . . ?
F13 P10 F14 89.62(12) . . ?
F13 P10 F15 89.29(14) . . ?
F13 P10 F16 179.34(15) . . ?
F14 P10 F11 179.53(12) . . ?
F15 P10 F11 89.84(12) . . ?
F15 P10 F14 90.33(13) . . ?
F16 P10 F11 89.86(11) . . ?
F16 P10 F14 90.58(12) . . ?
F16 P10 F15 90.08(15) . . ?
F18 P17 F19 90.60(13) . . ?
F18 P17 F20 90.21(13) . . ?
F18 P17 F21 90.29(14) . . ?
F18 P17 F22 179.93(18) . . ?
F18 P17 F23 90.57(14) . . ?
F19 P17 F20 179.12(13) . . ?
F19 P17 F22 89.33(11) . . ?
F20 P17 F22 89.87(12) . . ?
F21 P17 F19 89.43(13) . . ?
F21 P17 F20 90.20(13) . . ?
F21 P17 F22 89.72(13) . . ?
F23 P17 F19 90.65(12) . . ?
F23 P17 F20 89.71(12) . . ?
F23 P17 F21 179.13(14) . . ?
F23 P17 F22 89.41(13) . . ?
N11 N1 Ag1 122.12(13) . . ?
N11 N1 C2 119.61(18) . . ?
C2 N1 Ag1 118.25(14) . . ?
N1 N11 Ag2 121.90(13) . 2_665 ?
N1 N11 C10 119.51(18) . . ?
C10 N11 Ag2 118.58(14) . 2_665 ?
C13 N12 Ag2 120.87(15) . . ?
C13 N12 C17 117.4(2) . . ?
C17 N12 Ag2 120.74(16) . . ?
C19 N18 Ag1 121.21(14) . 2_665 ?
C19 N18 C23 118.1(2) . . ?
C23 N18 Ag1 120.26(16) . 2_665 ?
C31 N30 Ag2 147.9(2) . . ?
C34 N33 Ag1 168.2(3) . . ?
Ag2 N36 Ag1 102.45(9) 2_665 . ?
C37 N36 Ag1 112.0(2) . . ?
C37 N36 Ag2 124.9(2) . 2_665 ?
N1 C2 C3 123.5(2) . . ?
N1 C2 C13 114.48(18) . . ?
C3 C2 C13 121.91(19) . . ?
C2 C3 C4 122.23(19) . . ?
C9 C3 C2 116.62(19) . . ?
C9 C3 C4 121.15(19) . . ?
C3 C4 H4A 109.0 . . ?
C3 C4 H4B 109.0 . . ?
C3 C4 C5 112.8(2) . . ?
H4A C4 H4B 107.8 . . ?
C5 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C4 C5 H5A 108.9 . . ?
C4 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 C4 113.4(2) . . ?
C6 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
C5 C6 H6A 108.4 . . ?
C5 C6 H6B 108.4 . . ?
H6A C6 H6B 107.5 . . ?
C7 C6 C5 115.51(19) . . ?
C7 C6 H6A 108.4 . . ?
C7 C6 H6B 108.4 . . ?
C6 C7 H7A 108.9 . . ?
C6 C7 H7B 108.9 . . ?
C6 C7 C8 113.5(2) . . ?
H7A C7 H7B 107.7 . . ?
C8 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C9 C8 C7 112.60(18) . . ?
C9 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C3 C9 C8 120.83(19) . . ?
C3 C9 C10 116.96(19) . . ?
C10 C9 C8 122.20(19) . . ?
N11 C10 C9 123.69(19) . . ?
N11 C10 C19 114.13(18) . . ?
C9 C10 C19 122.16(18) . . ?
N12 C13 C2 114.65(19) . . ?
N12 C13 C14 123.1(2) . . ?
C14 C13 C2 122.2(2) . . ?
C13 C14 H14 120.6 . . ?
C13 C14 C15 118.8(2) . . ?
C15 C14 H14 120.6 . . ?
C14 C15 H15 120.7 . . ?
C16 C15 C14 118.6(2) . . ?
C16 C15 H15 120.7 . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.0(2) . . ?
C17 C16 H16 120.5 . . ?
N12 C17 C16 123.0(2) . . ?
N12 C17 H17 118.5 . . ?
C16 C17 H17 118.5 . . ?
N18 C19 C10 115.56(19) . . ?
N18 C19 C20 123.1(2) . . ?
C20 C19 C10 121.3(2) . . ?
C19 C20 H20 120.9 . . ?
C19 C20 C21 118.1(2) . . ?
C21 C20 H20 120.9 . . ?
C20 C21 H21 120.5 . . ?
C22 C21 C20 119.1(2) . . ?
C22 C21 H21 120.5 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.3(2) . . ?
C23 C22 H22 120.4 . . ?
N18 C23 C22 122.3(2) . . ?
N18 C23 H23 118.9 . . ?
C22 C23 H23 118.9 . . ?
N30 C31 C32 178.6(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N33 C34 C35 177.8(4) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N36 C37 C38 178.9(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Cl41 C40 H40A 109.0 . . ?
Cl41 C40 H40B 109.0 . . ?
Cl42 C40 Cl41 112.71(19) . . ?
Cl42 C40 H40A 109.0 . . ?
Cl42 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N1 N11 Ag2 -0.8(2) . . . 2_665 ?
Ag1 N1 N11 C10 -179.68(15) . . . . ?
Ag1 N1 C2 C3 179.83(16) . . . . ?
Ag1 N1 C2 C13 -3.2(2) . . . . ?
Ag1 N18 C19 C10 -7.5(3) 2_665 . . . ?
Ag1 N18 C19 C20 171.60(17) 2_665 . . . ?
Ag1 N18 C23 C22 -170.06(18) 2_665 . . . ?
Ag2 N11 C10 C9 -179.51(16) 2_665 . . . ?
Ag2 N11 C10 C19 1.8(2) 2_665 . . . ?
Ag2 N12 C13 C2 13.0(3) . . . . ?
Ag2 N12 C13 C14 -167.77(18) . . . . ?
Ag2 N12 C17 C16 167.9(2) . . . . ?
N1 N11 C10 C9 -0.6(3) . . . . ?
N1 N11 C10 C19 -179.24(18) . . . . ?
N1 C2 C3 C4 -179.9(2) . . . . ?
N1 C2 C3 C9 0.4(3) . . . . ?
N1 C2 C13 N12 -64.1(3) . . . . ?
N1 C2 C13 C14 116.8(2) . . . . ?
N11 N1 C2 C3 1.6(3) . . . . ?
N11 N1 C2 C13 178.57(19) . . . . ?
N11 C10 C19 N18 60.9(3) . . . . ?
N11 C10 C19 C20 -118.2(2) . . . . ?
N12 C13 C14 C15 -0.1(4) . . . . ?
N18 C19 C20 C21 -1.1(3) . . . . ?
C2 N1 N11 Ag2 177.37(15) . . . 2_665 ?
C2 N1 N11 C10 -1.5(3) . . . . ?
C2 C3 C4 C5 115.6(2) . . . . ?
C2 C3 C9 C8 176.9(2) . . . . ?
C2 C3 C9 C10 -2.4(3) . . . . ?
C2 C13 C14 C15 179.0(2) . . . . ?
C3 C2 C13 N12 112.9(2) . . . . ?
C3 C2 C13 C14 -66.2(3) . . . . ?
C3 C4 C5 C6 81.4(3) . . . . ?
C3 C9 C10 N11 2.6(3) . . . . ?
C3 C9 C10 C19 -178.9(2) . . . . ?
C4 C3 C9 C8 -2.8(3) . . . . ?
C4 C3 C9 C10 178.0(2) . . . . ?
C4 C5 C6 C7 -63.7(3) . . . . ?
C5 C6 C7 C8 62.7(3) . . . . ?
C6 C7 C8 C9 -80.5(2) . . . . ?
C7 C8 C9 C3 68.2(3) . . . . ?
C7 C8 C9 C10 -112.6(2) . . . . ?
C8 C9 C10 N11 -176.7(2) . . . . ?
C8 C9 C10 C19 1.9(3) . . . . ?
C9 C3 C4 C5 -64.8(3) . . . . ?
C9 C10 C19 N18 -117.8(2) . . . . ?
C9 C10 C19 C20 63.1(3) . . . . ?
C10 C19 C20 C21 177.9(2) . . . . ?
C13 N12 C17 C16 -0.8(4) . . . . ?
C13 C2 C3 C4 3.3(3) . . . . ?
C13 C2 C3 C9 -176.3(2) . . . . ?
C13 C14 C15 C16 -0.8(4) . . . . ?
C14 C15 C16 C17 0.9(4) . . . . ?
C15 C16 C17 N12 -0.1(4) . . . . ?
C17 N12 C13 C2 -178.3(2) . . . . ?
C17 N12 C13 C14 0.9(3) . . . . ?
C19 N18 C23 C22 2.3(3) . . . . ?
C19 C20 C21 C22 1.3(3) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C21 C22 C23 N18 -2.0(4) . . . . ?
C23 N18 C19 C10 -179.8(2) . . . . ?
C23 N18 C19 C20 -0.6(3) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 1023447'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3
_audit_creation_date             2014-05-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C72 H64 Ag4 N16, 4(C F3 O3 S), 2(C0.25 H Cl), 2(C1.5 N)'
_chemical_formula_sum            'C79.50 H66 Ag4 Cl2 F12 N18 O12 S4'
_chemical_formula_weight         2324.12
_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 0.0033 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'
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'
S S 0.1246 0.1234 '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      orthorhombic
_space_group_IT_number           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x, -y, -z'
'-x, y+1/2, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x, -y-1/2, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y, z-1/2'

_cell_length_a                   17.1919(4)
_cell_length_b                   17.6525(5)
_cell_length_c                   28.3109(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8591.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.51
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.864
_shelx_estimated_absorpt_T_min   0.738
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0785 before and 0.0599 after correction.
The Ratio of minimum to maximum transmission is 0.8373.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4636
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            112774
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.994
_diffrn_reflns_theta_min         2.307
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5140
_reflns_number_total             6462
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_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, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.406
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         6462
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0343
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0480P)²+27.1046P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0995
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Cl43) \\sim Ueq, Uanis(C42) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Others
 Sof(H15A)=Sof(H15B)=Sof(C17)=Sof(H17A)=Sof(H17B)=1-FVAR(1)
 Sof(H15C)=Sof(H15D)=Sof(C16)=Sof(H16A)=Sof(H16B)=FVAR(1)
 Fixed Sof: F40(0.5) Cl43(0.5) C42(0.125) H42A(0.25) H42B(0.25) C1(0.5)
 N2(0.5) C6(0.25)
4.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C15(H15C,H15D), C4(H4A,H4B), C5(H5A,H5B), C17(H17A,H17B),
 C16(H16A,H16B), C42(H42A,H42B)
4.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C8(H8), C11(H11), C23(H23), C21(H21), C20(H20), C22(H22)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.61350(2) 0.90320(2) 0.44042(2) 0.02369(7) Uani 1 1 d . . . . .
N1 N 0.53917(10) 0.91181(10) 0.50963(7) 0.0151(4) Uani 1 1 d . . . . .
N6 N 0.69521(11) 0.98892(11) 0.55939(7) 0.0183(4) Uani 1 1 d . . . . .
N12 N 0.53895(11) 0.83087(11) 0.38649(7) 0.0173(4) Uani 1 1 d . . . . .
C13 C 0.57732(13) 0.77159(13) 0.36877(8) 0.0166(4) Uani 1 1 d . . . . .
C2 C 0.57681(13) 0.91897(13) 0.55046(9) 0.0166(4) Uani 1 1 d . . . . .
C19 C 0.66388(13) 0.77981(14) 0.36836(9) 0.0192(4) Uani 1 1 d . . . . .
N18 N 0.69696(11) 0.80853(11) 0.40749(7) 0.0176(4) Uani 1 1 d . . . . .
C7 C 0.66368(13) 0.92190(13) 0.54728(9) 0.0171(4) Uani 1 1 d . . . . .
C9 C 0.78761(13) 0.86350(13) 0.53671(9) 0.0188(4) Uani 1 1 d . . . . .
H9 H 0.8184 0.8219 0.5293 0.023 Uiso 1 1 calc R . . . .
C14 C 0.54022(13) 0.70441(13) 0.35377(8) 0.0170(4) Uani 1 1 d . . . . .
C10 C 0.82092(13) 0.93171(14) 0.54940(9) 0.0193(5) Uani 1 1 d . . . . .
H10 H 0.8747 0.9367 0.5507 0.023 Uiso 1 1 calc R . . . .
C8 C 0.70646(13) 0.85846(13) 0.53530(9) 0.0190(5) Uani 1 1 d . . . . .
H8 H 0.6820 0.8136 0.5265 0.023 Uiso 1 1 calc R . . . .
C3 C 0.54027(13) 0.92342(16) 0.59472(9) 0.0236(5) Uani 1 1 d . . . . .
C11 C 0.77353(13) 0.99256(14) 0.56021(9) 0.0200(5) Uani 1 1 d . . . . .
H11 H 0.7968 1.0382 0.5684 0.024 Uiso 1 1 calc R . . . .
C23 C 0.77510(13) 0.81099(14) 0.40901(10) 0.0207(5) Uani 1 1 d . . . . .
H23 H 0.7985 0.8296 0.4363 0.025 Uiso 1 1 calc R . . . .
C21 C 0.78806(16) 0.7624(2) 0.33147(11) 0.0371(7) Uani 1 1 d . . . . .
H21 H 0.8183 0.7483 0.3057 0.045 Uiso 1 1 calc R . . . .
C20 C 0.70738(15) 0.7583(2) 0.32920(10) 0.0333(7) Uani 1 1 d . . . . .
H20 H 0.6829 0.7414 0.3019 0.040 Uiso 1 1 calc R . . . .
C15 C 0.58564(16) 0.63381(15) 0.34216(11) 0.0280(6) Uani 1 1 d . . . . .
H15A H 0.6224 0.6465 0.3174 0.034 Uiso 0.480(15) 1 calc R . . A 1
H15B H 0.6157 0.6203 0.3699 0.034 Uiso 0.480(15) 1 calc R . . A 1
H15C H 0.6337 0.6323 0.3601 0.034 Uiso 0.520(15) 1 calc R . . A 2
H15D H 0.5982 0.6324 0.3088 0.034 Uiso 0.520(15) 1 calc R . . A 2
C22 C 0.82250(14) 0.78756(17) 0.37250(10) 0.0286(6) Uani 1 1 d . . . . .
H22 H 0.8764 0.7887 0.3755 0.034 Uiso 1 1 calc R . . . .
C4 C 0.58384(18) 0.9253(3) 0.64054(11) 0.0520(11) Uani 1 1 d . . . . .
H4A H 0.5983 0.8739 0.6488 0.062 Uiso 1 1 calc R . . . .
H4B H 0.6315 0.9537 0.6359 0.062 Uiso 1 1 calc R . . . .
S30 S 0.5000 0.30572(5) 0.49049(3) 0.02018(17) Uani 1 2 d S T P . .
S36 S 0.5000 0.26141(6) 0.27601(3) 0.02502(19) Uani 1 2 d S T P . .
O38 O 0.5000 0.2576(2) 0.32693(10) 0.0363(7) Uani 1 2 d S T P . .
O37 O 0.56982(13) 0.23515(17) 0.25370(9) 0.0504(7) Uani 1 1 d . . . . .
C33 C 0.5000 0.3873(2) 0.45100(14) 0.0219(7) Uani 1 2 d S T P . .
F34 F 0.43751(11) 0.43065(11) 0.45767(8) 0.0442(5) Uani 1 1 d . . . . .
F35 F 0.5000 0.36757(17) 0.40588(9) 0.0440(7) Uani 1 2 d S T P . .
O32 O 0.42916(11) 0.26737(11) 0.47814(9) 0.0353(5) Uani 1 1 d . . . . .
O31 O 0.5000 0.34048(19) 0.53646(11) 0.0392(7) Uani 1 2 d S T P . .
C39 C 0.5000 0.3600(4) 0.2650(2) 0.092(3) Uani 1 2 d S T P . .
C5 C 0.5423(2) 0.9581(3) 0.67970(15) 0.0703(16) Uani 1 1 d . . . . .
H5A H 0.5592 1.0103 0.6826 0.084 Uiso 1 1 calc R . . . .
H5B H 0.5592 0.9320 0.7081 0.084 Uiso 1 1 calc R . . . .
C17 C 0.5432(3) 0.5668(3) 0.3271(3) 0.0283(19) Uani 0.480(15) 1 d . . . A 1
H17A H 0.5600 0.5251 0.3470 0.034 Uiso 0.480(15) 1 calc R . . A 1
H17B H 0.5600 0.5550 0.2952 0.034 Uiso 0.480(15) 1 calc R . . A 1
C16 C 0.5301(4) 0.5625(3) 0.3562(4) 0.031(2) Uani 0.520(15) 1 d . . . A 2
H16A H 0.5455 0.5212 0.3356 0.038 Uiso 0.520(15) 1 calc R . . A 2
H16B H 0.5456 0.5478 0.3879 0.038 Uiso 0.520(15) 1 calc R . . A 2
F41 F 0.4375(3) 0.39413(19) 0.28339(15) 0.1410(19) Uani 1 1 d . . . . .
F40 F 0.5294(4) 0.3737(3) 0.21816(17) 0.079(2) Uani 0.5 1 d . . . . .
Cl43 Cl 0.7447(6) 0.5221(5) 0.6977(3) 0.122(3) Uani 0.5 1 d . U . B 1
C42 C 0.7500 0.5625(12) 0.7500 0.041(4) Uani 0.25 2 d S TU P B 1
H42A H 0.7051 0.5956 0.7517 0.050 Uiso 0.25 1 calc R . . B 1
H42B H 0.7950 0.5956 0.7483 0.050 Uiso 0.25 1 calc R . . B 1
C1 C 0.7377(9) 0.4830(11) 0.7176(6) 0.098(7) Uani 0.5 1 d . . . C 2
N2 N 0.7524(11) 0.5355(9) 0.6855(5) 0.051(3) Uani 0.5 1 d . . . C 2
C6 C 0.7500 0.4270(11) 0.7500 0.106(7) Uani 0.5 2 d S T P C 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
Ag1 N1 2.344(2) . ?
Ag1 N6 2.366(2) 3_576 ?
Ag1 N12 2.367(2) . ?
Ag1 N18 2.3918(19) . ?
N1 N1 1.347(3) 11_655 ?
N1 C2 1.331(3) . ?
N6 Ag1 2.3664(19) 3_576 ?
N6 C7 1.346(3) . ?
N6 C11 1.348(3) . ?
N12 N12 1.339(4) 11_655 ?
N12 C13 1.335(3) . ?
C13 C19 1.495(3) . ?
C13 C14 1.412(3) . ?
C2 C7 1.497(3) . ?
C2 C3 1.404(3) . ?
C19 N18 1.345(3) . ?
C19 C20 1.390(4) . ?
N18 C23 1.345(3) . ?
C7 C8 1.382(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.381(3) . ?
C9 C8 1.398(3) . ?
C14 C14 1.383(4) 11_655 ?
C14 C15 1.507(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.382(3) . ?
C8 H8 0.9300 . ?
C3 C3 1.385(5) 11_655 ?
C3 C4 1.498(4) . ?
C11 H11 0.9300 . ?
C23 H23 0.9300 . ?
C23 C22 1.380(4) . ?
C21 H21 0.9300 . ?
C21 C20 1.390(4) . ?
C21 C22 1.378(4) . ?
C20 H20 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C15 H15D 0.9700 . ?
C15 C17 1.454(6) . ?
C15 C16 1.629(7) . ?
C22 H22 0.9300 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.440(5) . ?
S30 C33 1.823(4) . ?
S30 O32 1.4366(19) 11_655 ?
S30 O32 1.4366(19) . ?
S30 O31 1.439(3) . ?
S36 O38 1.443(3) . ?
S36 O37 1.433(2) 11_655 ?
S36 O37 1.433(2) . ?
S36 C39 1.767(6) . ?
C33 F34 1.333(3) 11_655 ?
C33 F34 1.333(3) . ?
C33 F35 1.324(5) . ?
C39 F41 1.338(6) . ?
C39 F41 1.338(6) 11_655 ?
C39 F40 1.440(8) . ?
C39 F40 1.440(8) 11_655 ?
C5 C5 1.455(7) 11_655 ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C17 C17 1.487(12) 11_655 ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C16 C16 1.036(13) 11_655 ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
F40 F40 1.010(12) 11_655 ?
Cl43 C42 1.645(13) . ?
C42 Cl43 1.645(13) 8_646 ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C1 C1 1.88(3) 8_646 ?
C1 N2 1.32(3) . ?
C1 C6 1.37(2) . ?
C6 C1 1.37(2) 8_646 ?

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 N6 105.64(7) . 3_576 ?
N1 Ag1 N12 106.20(7) . . ?
N1 Ag1 N18 134.28(7) . . ?
N6 Ag1 N12 139.19(7) 3_576 . ?
N6 Ag1 N18 101.95(7) 3_576 . ?
N12 Ag1 N18 72.33(7) . . ?
N1 N1 Ag1 123.03(4) 11_655 . ?
C2 N1 Ag1 117.85(14) . . ?
C2 N1 N1 119.09(13) . 11_655 ?
C7 N6 Ag1 117.97(14) . 3_576 ?
C7 N6 C11 116.7(2) . . ?
C11 N6 Ag1 123.67(16) . 3_576 ?
N12 N12 Ag1 122.78(5) 11_655 . ?
C13 N12 Ag1 113.42(15) . . ?
C13 N12 N12 119.62(13) . 11_655 ?
N12 C13 C19 114.8(2) . . ?
N12 C13 C14 123.2(2) . . ?
C14 C13 C19 121.9(2) . . ?
N1 C2 C7 115.9(2) . . ?
N1 C2 C3 124.3(2) . . ?
C3 C2 C7 119.9(2) . . ?
N18 C19 C13 116.8(2) . . ?
N18 C19 C20 122.2(2) . . ?
C20 C19 C13 121.0(2) . . ?
C19 N18 Ag1 109.32(14) . . ?
C19 N18 C23 117.5(2) . . ?
C23 N18 Ag1 124.35(16) . . ?
N6 C7 C2 114.6(2) . . ?
N6 C7 C8 124.1(2) . . ?
C8 C7 C2 121.2(2) . . ?
C10 C9 H9 120.8 . . ?
C10 C9 C8 118.5(2) . . ?
C8 C9 H9 120.8 . . ?
C13 C14 C15 121.7(2) . . ?
C14 C14 C13 116.86(13) 11_655 . ?
C14 C14 C15 121.21(14) 11_655 . ?
C9 C10 H10 120.3 . . ?
C9 C10 C11 119.4(2) . . ?
C11 C10 H10 120.3 . . ?
C7 C8 C9 118.2(2) . . ?
C7 C8 H8 120.9 . . ?
C9 C8 H8 120.9 . . ?
C2 C3 C4 123.4(2) . . ?
C3 C3 C2 116.58(13) 11_655 . ?
C3 C3 C4 119.99(15) 11_655 . ?
N6 C11 C10 123.2(2) . . ?
N6 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
N18 C23 H23 118.1 . . ?
N18 C23 C22 123.8(2) . . ?
C22 C23 H23 118.1 . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C22 C21 C20 119.0(3) . . ?
C19 C20 C21 119.1(3) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C14 C15 H15A 107.7 . . ?
C14 C15 H15B 107.7 . . ?
C14 C15 H15C 110.5 . . ?
C14 C15 H15D 110.5 . . ?
C14 C15 C16 106.4(3) . . ?
H15A C15 H15B 107.1 . . ?
H15C C15 H15D 108.6 . . ?
C17 C15 C14 118.5(3) . . ?
C17 C15 H15A 107.7 . . ?
C17 C15 H15B 107.7 . . ?
C16 C15 H15C 110.5 . . ?
C16 C15 H15D 110.5 . . ?
C23 C22 H22 120.8 . . ?
C21 C22 C23 118.3(2) . . ?
C21 C22 H22 120.8 . . ?
C3 C4 H4A 108.4 . . ?
C3 C4 H4B 108.4 . . ?
H4A C4 H4B 107.5 . . ?
C5 C4 C3 115.3(3) . . ?
C5 C4 H4A 108.4 . . ?
C5 C4 H4B 108.4 . . ?
O32 S30 C33 102.88(12) 11_655 . ?
O32 S30 C33 102.88(11) . . ?
O32 S30 O32 115.94(18) 11_655 . ?
O32 S30 O31 114.91(12) . . ?
O32 S30 O31 114.90(12) 11_655 . ?
O31 S30 C33 102.59(18) . . ?
O38 S36 C39 102.8(3) . . ?
O37 S36 O38 115.16(12) 11_655 . ?
O37 S36 O38 115.16(12) . . ?
O37 S36 O37 113.7(2) 11_655 . ?
O37 S36 C39 103.93(17) . . ?
O37 S36 C39 103.93(17) 11_655 . ?
F34 C33 S30 111.5(2) . . ?
F34 C33 S30 111.5(2) 11_655 . ?
F34 C33 F34 107.4(3) . 11_655 ?
F35 C33 S30 112.6(3) . . ?
F35 C33 F34 106.7(2) . 11_655 ?
F35 C33 F34 106.7(2) . . ?
F41 C39 S36 112.0(4) 11_655 . ?
F41 C39 S36 112.0(4) . . ?
F41 C39 F41 106.9(6) 11_655 . ?
F41 C39 F40 124.4(5) 11_655 11_655 ?
F41 C39 F40 90.0(4) 11_655 . ?
F41 C39 F40 90.0(4) . 11_655 ?
F41 C39 F40 124.4(5) . . ?
F40 C39 S36 109.1(4) 11_655 . ?
F40 C39 S36 109.1(4) . . ?
F40 C39 F40 41.1(5) 11_655 . ?
C4 C5 C5 119.73(19) . 11_655 ?
C4 C5 H5A 107.4 . . ?
C4 C5 H5B 107.4 . . ?
C5 C5 H5A 107.4 11_655 . ?
C5 C5 H5B 107.4 11_655 . ?
H5A C5 H5B 106.9 . . ?
C15 C17 C17 120.1(3) . 11_655 ?
C15 C17 H17A 107.3 . . ?
C15 C17 H17B 107.3 . . ?
C17 C17 H17A 107.3 11_655 . ?
C17 C17 H17B 107.3 11_655 . ?
H17A C17 H17B 106.9 . . ?
C15 C16 H16A 105.9 . . ?
C15 C16 H16B 105.9 . . ?
C16 C16 C15 125.9(2) 11_655 . ?
C16 C16 H16A 105.9 11_655 . ?
C16 C16 H16B 105.9 11_655 . ?
H16A C16 H16B 106.2 . . ?
F40 F40 C39 69.5(3) 11_655 . ?
Cl43 C42 Cl43 128.6(14) . 8_646 ?
Cl43 C42 H42A 105.1 . . ?
Cl43 C42 H42A 105.1 8_646 . ?
Cl43 C42 H42B 105.1 . . ?
Cl43 C42 H42B 105.1 8_646 . ?
H42A C42 H42B 105.9 . . ?
N2 C1 C1 128.8(13) . 8_646 ?
N2 C1 C6 159.9(17) . . ?
C6 C1 C1 46.4(8) . 8_646 ?
C1 C6 C1 87.1(16) 8_646 . ?

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
Ag1 N1 C2 C7 0.9(3) . . . . ?
Ag1 N1 C2 C3 -178.84(19) . . . . ?
Ag1 N6 C7 C2 -18.8(3) 3_576 . . . ?
Ag1 N6 C7 C8 164.7(2) 3_576 . . . ?
Ag1 N6 C11 C10 -164.81(19) 3_576 . . . ?
Ag1 N12 C13 C19 -25.4(3) . . . . ?
Ag1 N12 C13 C14 151.36(19) . . . . ?
Ag1 N18 C23 C22 -142.2(2) . . . . ?
N1 N1 C2 C7 -177.40(14) 11_655 . . . ?
N1 N1 C2 C3 2.9(3) 11_655 . . . ?
N1 C2 C7 N6 112.9(2) . . . . ?
N1 C2 C7 C8 -70.5(3) . . . . ?
N1 C2 C3 C3 -2.8(3) . . . 11_655 ?
N1 C2 C3 C4 175.0(3) . . . . ?
N6 C7 C8 C9 1.3(4) . . . . ?
N12 N12 C13 C19 176.91(14) 11_655 . . . ?
N12 N12 C13 C14 -6.3(3) 11_655 . . . ?
N12 C13 C19 N18 43.8(3) . . . . ?
N12 C13 C19 C20 -136.4(3) . . . . ?
N12 C13 C14 C14 6.2(3) . . . 11_655 ?
N12 C13 C14 C15 -168.9(2) . . . . ?
C13 C19 N18 Ag1 -36.0(2) . . . . ?
C13 C19 N18 C23 175.1(2) . . . . ?
C13 C19 C20 C21 -175.9(3) . . . . ?
C13 C14 C15 C17 179.8(5) . . . . ?
C13 C14 C15 C16 148.0(4) . . . . ?
C2 C7 C8 C9 -174.9(2) . . . . ?
C2 C3 C4 C5 157.3(4) . . . . ?
C19 C13 C14 C14 -177.29(17) . . . 11_655 ?
C19 C13 C14 C15 7.6(4) . . . . ?
C19 N18 C23 C22 1.6(4) . . . . ?
N18 C19 C20 C21 3.8(5) . . . . ?
N18 C23 C22 C21 2.1(4) . . . . ?
C7 N6 C11 C10 0.0(4) . . . . ?
C7 C2 C3 C3 177.48(15) . . . 11_655 ?
C7 C2 C3 C4 -4.7(4) . . . . ?
C9 C10 C11 N6 0.5(4) . . . . ?
C14 C13 C19 N18 -133.0(2) . . . . ?
C14 C13 C19 C20 46.7(4) . . . . ?
C14 C14 C15 C17 4.9(5) 11_655 . . . ?
C14 C14 C15 C16 -26.9(4) 11_655 . . . ?
C14 C15 C17 C17 -4.9(5) . . . 11_655 ?
C14 C15 C16 C16 28.5(4) . . . 11_655 ?
C10 C9 C8 C7 -0.8(4) . . . . ?
C8 C9 C10 C11 -0.1(4) . . . . ?
C3 C2 C7 N6 -67.3(3) . . . . ?
C3 C2 C7 C8 109.3(3) . . . . ?
C3 C3 C4 C5 -25.0(5) 11_655 . . . ?
C3 C4 C5 C5 24.9(5) . . . 11_655 ?
C11 N6 C7 C2 175.5(2) . . . . ?
C11 N6 C7 C8 -0.9(4) . . . . ?
C20 C19 N18 Ag1 144.3(2) . . . . ?
C20 C19 N18 C23 -4.6(4) . . . . ?
C20 C21 C22 C23 -2.9(5) . . . . ?
C22 C21 C20 C19 0.1(5) . . . . ?
S36 C39 F40 F40 97.5(2) . . . 11_655 ?
O38 S36 C39 F41 60.1(4) . . . 11_655 ?
O38 S36 C39 F41 -60.1(4) . . . . ?
O38 S36 C39 F40 -158.2(3) . . . 11_655 ?
O38 S36 C39 F40 158.2(3) . . . . ?
O37 S36 C39 F41 179.5(4) . . . . ?
O37 S36 C39 F41 60.3(5) 11_655 . . . ?
O37 S36 C39 F41 -60.3(5) . . . 11_655 ?
O37 S36 C39 F41 -179.5(4) 11_655 . . 11_655 ?
O37 S36 C39 F40 -37.8(3) 11_655 . . 11_655 ?
O37 S36 C39 F40 81.4(3) . . . 11_655 ?
O37 S36 C39 F40 -81.4(3) 11_655 . . . ?
O37 S36 C39 F40 37.8(3) . . . . ?
O32 S30 C33 F34 -59.5(3) 11_655 . . 11_655 ?
O32 S30 C33 F34 -179.6(2) 11_655 . . . ?
O32 S30 C33 F34 59.5(3) . . . . ?
O32 S30 C33 F34 179.6(2) . . . 11_655 ?
O32 S30 C33 F35 -60.42(11) . . . . ?
O32 S30 C33 F35 60.42(11) 11_655 . . . ?
O31 S30 C33 F34 -60.1(2) . . . . ?
O31 S30 C33 F34 60.1(2) . . . 11_655 ?
O31 S30 C33 F35 180.000(1) . . . . ?
C17 C15 C16 C16 -89.6(6) . . . 11_655 ?
C16 C15 C17 C17 69.5(5) . . . 11_655 ?
F41 C39 F40 F40 -149.1(4) 11_655 . . 11_655 ?
F41 C39 F40 F40 -38.4(4) . . . 11_655 ?
N2 C1 C6 C1 85(5) . . . 8_646 ?
_database_code_depnum_ccdc_archive 'CCDC 1023448'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4
_audit_creation_date             2014-07-01
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C17 H14 Ag N4, Cl O4'
_chemical_formula_sum            'C17 H14 Ag Cl N4 O4'
_chemical_formula_weight         481.64
_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 0.0033 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'
Cl Cl 0.1484 0.1585 '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'

_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                   8.0993(4)
_cell_length_b                   9.7117(4)
_cell_length_c                   11.2515(5)
_cell_angle_alpha                87.315(3)
_cell_angle_beta                 86.505(3)
_cell_angle_gamma                68.644(2)
_cell_volume                     822.43(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4993
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.423
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6424
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0745 before and 0.0517 after correction.
The Ratio of minimum to maximum transmission is 0.8614.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19803
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.144
_diffrn_reflns_theta_min         2.703
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3550
_reflns_number_total             4385
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_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, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.279
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4385
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.039
_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)+(0.0490P)²+0.3400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0923
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19), C20(H20), C21(H21)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.44626(3) 0.68815(2) 0.54377(2) 0.02359(9) Uani 1 1 d . . . . .
N1 N 0.3006(3) 0.6590(3) 0.3891(2) 0.0176(5) Uani 1 1 d . . . . .
N9 N 0.3448(3) 0.5197(3) 0.3527(2) 0.0187(5) Uani 1 1 d . . . . .
N10 N 0.2970(3) 0.9404(3) 0.4367(2) 0.0205(5) Uani 1 1 d . . . . .
N16 N 0.5036(3) 0.2362(3) 0.2751(2) 0.0202(5) Uani 1 1 d . . . . .
C2 C 0.2233(4) 0.7734(3) 0.3147(3) 0.0170(6) Uani 1 1 d . . . . .
C3 C 0.1935(4) 0.7517(3) 0.1983(3) 0.0175(6) Uani 1 1 d . . . . .
C4 C 0.1194(4) 0.8597(3) 0.0970(3) 0.0237(7) Uani 1 1 d . . . . .
H4A H 0.1562 0.9440 0.0984 0.028 Uiso 1 1 calc R . . . .
H4B H -0.0092 0.8942 0.0993 0.028 Uiso 1 1 calc R . . . .
C5 C 0.2005(5) 0.7663(4) -0.0122(3) 0.0288(7) Uani 1 1 d . . . . .
H5A H 0.1236 0.7999 -0.0787 0.035 Uiso 1 1 calc R . . . .
H5B H 0.3155 0.7712 -0.0358 0.035 Uiso 1 1 calc R . . . .
C6 C 0.2187(5) 0.6093(3) 0.0278(3) 0.0244(7) Uani 1 1 d . . . . .
H6A H 0.1123 0.5900 0.0135 0.029 Uiso 1 1 calc R . . . .
H6B H 0.3199 0.5364 -0.0126 0.029 Uiso 1 1 calc R . . . .
C7 C 0.2455(4) 0.6091(3) 0.1591(3) 0.0181(6) Uani 1 1 d . . . . .
C8 C 0.3185(4) 0.4931(3) 0.2418(3) 0.0174(6) Uani 1 1 d . . . . .
C11 C 0.1809(4) 0.9244(3) 0.3631(3) 0.0189(6) Uani 1 1 d . . . . .
C12 C 0.0321(4) 1.0421(3) 0.3278(3) 0.0209(6) Uani 1 1 d . . . . .
H12 H -0.0479 1.0267 0.2790 0.025 Uiso 1 1 calc R . . . .
C13 C 0.0038(4) 1.1832(3) 0.3662(3) 0.0267(7) Uani 1 1 d . . . . .
H13 H -0.0943 1.2637 0.3429 0.032 Uiso 1 1 calc R . . . .
C14 C 0.1238(5) 1.2013(4) 0.4393(3) 0.0271(7) Uani 1 1 d . . . . .
H14 H 0.1095 1.2946 0.4653 0.033 Uiso 1 1 calc R . . . .
C15 C 0.2665(4) 1.0780(3) 0.4735(3) 0.0238(7) Uani 1 1 d . . . . .
H15 H 0.3455 1.0909 0.5245 0.029 Uiso 1 1 calc R . . . .
C17 C 0.3725(4) 0.3348(3) 0.2114(3) 0.0177(6) Uani 1 1 d . . . . .
C18 C 0.2896(4) 0.2899(3) 0.1251(3) 0.0225(6) Uani 1 1 d . . . . .
H18 H 0.1984 0.3594 0.0839 0.027 Uiso 1 1 calc R . . . .
C19 C 0.3430(4) 0.1416(3) 0.1003(3) 0.0253(7) Uani 1 1 d . . . . .
H19 H 0.2898 0.1102 0.0416 0.030 Uiso 1 1 calc R . . . .
C20 C 0.4766(4) 0.0410(3) 0.1643(3) 0.0254(7) Uani 1 1 d . . . . .
H20 H 0.5150 -0.0596 0.1499 0.031 Uiso 1 1 calc R . . . .
C21 C 0.5521(4) 0.0930(3) 0.2500(3) 0.0238(7) Uani 1 1 d . . . . .
H21 H 0.6419 0.0245 0.2930 0.029 Uiso 1 1 calc R . . . .
Cl20 Cl 0.23154(9) 0.37401(8) 0.74298(7) 0.02288(16) Uani 1 1 d . . . . .
O21 O 0.3889(3) 0.3395(3) 0.8108(3) 0.0377(6) Uani 1 1 d . . . . .
O22 O 0.1849(4) 0.2441(3) 0.7412(3) 0.0474(8) Uani 1 1 d . . . . .
O23 O 0.2667(4) 0.4162(4) 0.6233(3) 0.0499(8) Uani 1 1 d . . . . .
O24 O 0.0885(3) 0.4922(3) 0.7976(3) 0.0391(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.245(2) . ?
Ag1 N9 2.414(2) 2_666 ?
Ag1 N10 2.580(2) . ?
Ag1 N16 2.305(3) 2_666 ?
N1 N9 1.345(3) . ?
N1 C2 1.340(4) . ?
N9 Ag1 2.414(2) 2_666 ?
N9 C8 1.330(4) . ?
N10 C11 1.345(4) . ?
N10 C15 1.348(4) . ?
N16 Ag1 2.305(3) 2_666 ?
N16 C17 1.358(4) . ?
N16 C21 1.340(4) . ?
C2 C3 1.385(4) . ?
C2 C11 1.500(4) . ?
C3 C4 1.508(4) . ?
C3 C7 1.379(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.529(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.526(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.506(4) . ?
C7 C8 1.403(4) . ?
C8 C17 1.488(4) . ?
C11 C12 1.389(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.390(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.373(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(5) . ?
C15 H15 0.9300 . ?
C17 C18 1.384(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.381(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.380(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.378(5) . ?
C21 H21 0.9300 . ?
Cl20 O21 1.450(3) . ?
Cl20 O22 1.444(3) . ?
Cl20 O23 1.431(3) . ?
Cl20 O24 1.431(2) . ?

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 N9 122.04(8) . 2_666 ?
N1 Ag1 N10 70.51(8) . . ?
N1 Ag1 N16 160.11(9) . 2_666 ?
N9 Ag1 N10 163.04(9) 2_666 . ?
N16 Ag1 N9 70.91(8) 2_666 2_666 ?
N16 Ag1 N10 100.61(8) 2_666 . ?
N9 N1 Ag1 116.05(17) . . ?
C2 N1 Ag1 120.21(19) . . ?
C2 N1 N9 120.0(2) . . ?
N1 N9 Ag1 121.79(18) . 2_666 ?
C8 N9 Ag1 114.55(18) . 2_666 ?
C8 N9 N1 120.9(2) . . ?
C11 N10 Ag1 107.23(19) . . ?
C11 N10 C15 117.2(3) . . ?
C15 N10 Ag1 129.8(2) . . ?
C17 N16 Ag1 116.84(19) . 2_666 ?
C21 N16 Ag1 122.1(2) . 2_666 ?
C21 N16 C17 117.3(3) . . ?
N1 C2 C3 121.3(3) . . ?
N1 C2 C11 116.1(2) . . ?
C3 C2 C11 122.5(2) . . ?
C2 C3 C4 131.5(3) . . ?
C7 C3 C2 118.8(3) . . ?
C7 C3 C4 109.6(3) . . ?
C3 C4 H4A 111.3 . . ?
C3 C4 H4B 111.3 . . ?
C3 C4 C5 102.3(2) . . ?
H4A C4 H4B 109.2 . . ?
C5 C4 H4A 111.3 . . ?
C5 C4 H4B 111.3 . . ?
C4 C5 H5A 110.8 . . ?
C4 C5 H5B 110.8 . . ?
H5A C5 H5B 108.9 . . ?
C6 C5 C4 104.6(3) . . ?
C6 C5 H5A 110.8 . . ?
C6 C5 H5B 110.8 . . ?
C5 C6 H6A 111.3 . . ?
C5 C6 H6B 111.3 . . ?
H6A C6 H6B 109.2 . . ?
C7 C6 C5 102.4(2) . . ?
C7 C6 H6A 111.3 . . ?
C7 C6 H6B 111.3 . . ?
C3 C7 C6 110.6(3) . . ?
C3 C7 C8 117.6(3) . . ?
C8 C7 C6 131.6(3) . . ?
N9 C8 C7 121.2(3) . . ?
N9 C8 C17 116.2(2) . . ?
C7 C8 C17 122.6(3) . . ?
N10 C11 C2 116.9(2) . . ?
N10 C11 C12 122.5(3) . . ?
C12 C11 C2 120.5(3) . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.3(3) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.6(3) . . ?
C14 C13 H13 120.7 . . ?
C13 C14 H14 120.6 . . ?
C13 C14 C15 118.8(3) . . ?
C15 C14 H14 120.6 . . ?
N10 C15 C14 123.5(3) . . ?
N10 C15 H15 118.2 . . ?
C14 C15 H15 118.2 . . ?
N16 C17 C8 116.6(3) . . ?
N16 C17 C18 121.8(3) . . ?
C18 C17 C8 121.6(3) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.7(3) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.6 . . ?
C20 C19 C18 118.8(3) . . ?
C20 C19 H19 120.6 . . ?
C19 C20 H20 120.8 . . ?
C21 C20 C19 118.5(3) . . ?
C21 C20 H20 120.8 . . ?
N16 C21 C20 123.9(3) . . ?
N16 C21 H21 118.1 . . ?
C20 C21 H21 118.1 . . ?
O22 Cl20 O21 108.89(17) . . ?
O23 Cl20 O21 109.75(17) . . ?
O23 Cl20 O22 109.1(2) . . ?
O23 Cl20 O24 109.86(18) . . ?
O24 Cl20 O21 109.51(16) . . ?
O24 Cl20 O22 109.74(17) . . ?

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
Ag1 N1 N9 Ag1 4.0(3) . . . 2_666 ?
Ag1 N1 N9 C8 -156.0(2) . . . . ?
Ag1 N1 C2 C3 154.9(2) . . . . ?
Ag1 N1 C2 C11 -21.9(3) . . . . ?
Ag1 N9 C8 C7 -160.8(2) 2_666 . . . ?
Ag1 N9 C8 C17 18.5(3) 2_666 . . . ?
Ag1 N10 C11 C2 -29.0(3) . . . . ?
Ag1 N10 C11 C12 154.0(2) . . . . ?
Ag1 N10 C15 C14 -149.5(3) . . . . ?
Ag1 N16 C17 C8 20.4(3) 2_666 . . . ?
Ag1 N16 C17 C18 -157.7(2) 2_666 . . . ?
Ag1 N16 C21 C20 157.3(3) 2_666 . . . ?
N1 N9 C8 C7 0.6(4) . . . . ?
N1 N9 C8 C17 179.9(3) . . . . ?
N1 C2 C3 C4 -176.3(3) . . . . ?
N1 C2 C3 C7 -0.2(4) . . . . ?
N1 C2 C11 N10 36.2(4) . . . . ?
N1 C2 C11 C12 -146.7(3) . . . . ?
N9 N1 C2 C3 -2.6(4) . . . . ?
N9 N1 C2 C11 -179.3(3) . . . . ?
N9 C8 C17 N16 -26.4(4) . . . . ?
N9 C8 C17 C18 151.7(3) . . . . ?
N10 C11 C12 C13 2.3(5) . . . . ?
N16 C17 C18 C19 -1.4(5) . . . . ?
C2 N1 N9 Ag1 162.4(2) . . . 2_666 ?
C2 N1 N9 C8 2.3(4) . . . . ?
C2 C3 C4 C5 155.0(3) . . . . ?
C2 C3 C7 C6 -174.3(3) . . . . ?
C2 C3 C7 C8 3.0(4) . . . . ?
C2 C11 C12 C13 -174.7(3) . . . . ?
C3 C2 C11 N10 -140.6(3) . . . . ?
C3 C2 C11 C12 36.6(4) . . . . ?
C3 C4 C5 C6 31.4(3) . . . . ?
C3 C7 C8 N9 -3.2(4) . . . . ?
C3 C7 C8 C17 177.5(3) . . . . ?
C4 C3 C7 C6 2.7(4) . . . . ?
C4 C3 C7 C8 179.9(3) . . . . ?
C4 C5 C6 C7 -29.8(3) . . . . ?
C5 C6 C7 C3 17.3(4) . . . . ?
C5 C6 C7 C8 -159.5(3) . . . . ?
C6 C7 C8 N9 173.3(3) . . . . ?
C6 C7 C8 C17 -6.0(5) . . . . ?
C7 C3 C4 C5 -21.4(3) . . . . ?
C7 C8 C17 N16 152.9(3) . . . . ?
C7 C8 C17 C18 -29.0(5) . . . . ?
C8 C17 C18 C19 -179.4(3) . . . . ?
C11 N10 C15 C14 -0.1(5) . . . . ?
C11 C2 C3 C4 0.3(5) . . . . ?
C11 C2 C3 C7 176.4(3) . . . . ?
C11 C12 C13 C14 -0.7(5) . . . . ?
C12 C13 C14 C15 -1.1(5) . . . . ?
C13 C14 C15 N10 1.5(5) . . . . ?
C15 N10 C11 C2 175.2(3) . . . . ?
C15 N10 C11 C12 -1.8(5) . . . . ?
C17 N16 C21 C20 -0.2(5) . . . . ?
C17 C18 C19 C20 1.1(5) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C19 C20 C21 N16 -0.1(5) . . . . ?
C21 N16 C17 C8 179.0(3) . . . . ?
C21 N16 C17 C18 1.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 1023449'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_5
_audit_creation_date             2014-05-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C17 H14 Ag N4, 0.5(C Cl2), F6 P'
_chemical_formula_sum            'C17.50 H14 Ag Cl F6 N4 P'
_chemical_formula_weight         568.62
_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 0.0033 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'
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'
P P 0.1023 0.0942 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.5680(3)
_cell_length_b                   26.1905(8)
_cell_length_c                   8.6188(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.015(2)
_cell_angle_gamma                90
_cell_volume                     1926.66(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5687
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.497
_shelx_estimated_absorpt_T_max   0.900
_shelx_estimated_absorpt_T_min   0.748
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0768 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.8773.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            37629
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         2.496
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3549
_reflns_number_total             4422
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.53A (Bruker, 2008)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         4422
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0381
_refine_ls_restrained_S_all      1.078
_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)+(0.0411P)²+3.1196P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0977
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: Cl32(0.5) Cl33(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B)
3.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19), C20(H20), C21(H21)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.09378(3) 0.50573(2) 0.19092(3) 0.02487(10) Uani 1 1 d . . . . .
Cl32 Cl 0.5224(3) 0.51814(8) 0.8110(3) 0.0456(5) Uani 0.5 1 d . . . . .
Cl33 Cl 0.6665(5) 0.47973(12) 1.0983(4) 0.0857(11) Uani 0.5 1 d . . . . .
P10 P 0.45089(11) 0.67533(4) 0.01391(10) 0.0227(2) Uani 1 1 d . . . . .
F11 F 0.5197(3) 0.67525(10) -0.1527(2) 0.0420(6) Uani 1 1 d . . . . .
F12 F 0.3008(3) 0.64520(11) -0.0576(3) 0.0488(7) Uani 1 1 d . . . . .
F13 F 0.5409(3) 0.62364(10) 0.0561(3) 0.0526(7) Uani 1 1 d . . . . .
F14 F 0.3822(3) 0.67574(9) 0.1796(2) 0.0340(5) Uani 1 1 d . . . . .
F15 F 0.6008(3) 0.70669(10) 0.0850(3) 0.0438(6) Uani 1 1 d . . . . .
F16 F 0.3660(3) 0.72870(10) -0.0281(3) 0.0515(7) Uani 1 1 d . . . . .
N1 N 0.0947(3) 0.42789(10) 0.0675(3) 0.0205(6) Uani 1 1 d . . . . .
N2 N 0.0288(3) 0.42414(10) -0.0792(3) 0.0206(6) Uani 1 1 d . . . . .
N10 N 0.1333(3) 0.44094(10) 0.3798(3) 0.0213(6) Uani 1 1 d . . . . .
N16 N -0.1897(3) 0.42081(10) -0.3266(3) 0.0217(6) Uani 1 1 d . . . . .
C3 C -0.0057(4) 0.37845(12) -0.1430(3) 0.0182(6) Uani 1 1 d . . . . .
C4 C 0.0302(4) 0.33356(12) -0.0603(4) 0.0167(6) Uani 1 1 d . . . . .
C5 C 0.0033(4) 0.27879(12) -0.1054(4) 0.0216(7) Uani 1 1 d . . . . .
H5A H 0.0823 0.2668 -0.1708 0.026 Uiso 1 1 calc R . . . .
H5B H -0.0995 0.2741 -0.1601 0.026 Uiso 1 1 calc R . . . .
C6 C 0.0162(4) 0.25097(13) 0.0520(4) 0.0231(7) Uani 1 1 d . . . . .
H6A H -0.0866 0.2464 0.0890 0.028 Uiso 1 1 calc R . . . .
H6B H 0.0643 0.2177 0.0428 0.028 Uiso 1 1 calc R . . . .
C7 C 0.1185(4) 0.28515(12) 0.1637(4) 0.0202(7) Uani 1 1 d . . . . .
H7A H 0.0835 0.2843 0.2677 0.024 Uiso 1 1 calc R . . . .
H7B H 0.2275 0.2748 0.1687 0.024 Uiso 1 1 calc R . . . .
C8 C 0.0958(4) 0.33729(12) 0.0919(3) 0.0166(6) Uani 1 1 d . . . . .
C9 C 0.1245(4) 0.38612(12) 0.1548(4) 0.0186(7) Uani 1 1 d . . . . .
C11 C 0.1824(4) 0.39645(12) 0.3204(3) 0.0176(6) Uani 1 1 d . . . . .
C12 C 0.2781(4) 0.36255(13) 0.4082(4) 0.0217(7) Uani 1 1 d . . . . .
H12 H 0.3108 0.3324 0.3643 0.026 Uiso 1 1 calc R . . . .
C13 C 0.3244(4) 0.37430(14) 0.5626(4) 0.0233(7) Uani 1 1 d . . . . .
H13 H 0.3888 0.3522 0.6236 0.028 Uiso 1 1 calc R . . . .
C14 C 0.2730(4) 0.41943(13) 0.6239(4) 0.0233(7) Uani 1 1 d . . . . .
H14 H 0.3012 0.4280 0.7273 0.028 Uiso 1 1 calc R . . . .
C15 C 0.1792(4) 0.45142(13) 0.5294(4) 0.0234(7) Uani 1 1 d . . . . .
H15 H 0.1459 0.4818 0.5713 0.028 Uiso 1 1 calc R . . . .
C17 C -0.0944(4) 0.37994(12) -0.2997(3) 0.0185(7) Uani 1 1 d . . . . .
C18 C -0.0828(4) 0.34165(13) -0.4095(4) 0.0221(7) Uani 1 1 d . . . . .
H18 H -0.0138 0.3146 -0.3895 0.026 Uiso 1 1 calc R . . . .
C19 C -0.1757(4) 0.34435(13) -0.5496(4) 0.0250(7) Uani 1 1 d . . . . .
H19 H -0.1697 0.3191 -0.6249 0.030 Uiso 1 1 calc R . . . .
C20 C -0.2776(5) 0.38527(14) -0.5756(4) 0.0287(8) Uani 1 1 d . . . . .
H20 H -0.3431 0.3876 -0.6672 0.034 Uiso 1 1 calc R . . . .
C21 C -0.2793(4) 0.42241(13) -0.4617(4) 0.0240(7) Uani 1 1 d . . . . .
H21 H -0.3464 0.4501 -0.4800 0.029 Uiso 1 1 calc R . . . .
C30 C 0.5000 0.5000 1.0000 0.087(3) Uani 1 2 d S T 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 2.300(3) . ?
Ag1 N2 2.286(3) 3_565 ?
Ag1 N10 2.355(3) . ?
Ag1 N16 2.362(3) 3_565 ?
Cl32 Cl33 1.859(5) 3_667 ?
Cl32 C30 1.724(2) . ?
Cl33 Cl32 1.859(5) 3_667 ?
Cl33 C30 1.681(4) . ?
P10 F11 1.599(2) . ?
P10 F12 1.587(2) . ?
P10 F13 1.585(3) . ?
P10 F14 1.592(2) . ?
P10 F15 1.601(2) . ?
P10 F16 1.603(3) . ?
N1 N2 1.343(4) . ?
N1 C9 1.339(4) . ?
N2 Ag1 2.286(3) 3_565 ?
N2 C3 1.339(4) . ?
N10 C11 1.354(4) . ?
N10 C15 1.343(4) . ?
N16 Ag1 2.362(3) 3_565 ?
N16 C17 1.354(4) . ?
N16 C21 1.338(4) . ?
C3 C4 1.395(4) . ?
C3 C17 1.491(4) . ?
C4 C5 1.499(4) . ?
C4 C8 1.385(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.536(5) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.533(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.505(4) . ?
C8 C9 1.402(4) . ?
C9 C11 1.495(4) . ?
C11 C12 1.387(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.390(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.382(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.377(5) . ?
C15 H15 0.9300 . ?
C17 C18 1.388(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.389(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.388(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.383(5) . ?
C21 H21 0.9300 . ?
C30 Cl32 1.724(2) 3_667 ?
C30 Cl33 1.681(4) 3_667 ?

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 N10 71.04(9) . . ?
N1 Ag1 N16 159.41(11) . 3_565 ?
N2 Ag1 N1 122.51(9) 3_565 . ?
N2 Ag1 N10 154.53(10) 3_565 . ?
N2 Ag1 N16 71.40(10) 3_565 3_565 ?
N10 Ag1 N16 102.82(9) . 3_565 ?
C30 Cl32 Cl33 55.79(13) . 3_667 ?
C30 Cl33 Cl32 58.02(16) . 3_667 ?
F11 P10 F15 89.86(13) . . ?
F11 P10 F16 89.64(14) . . ?
F12 P10 F11 90.04(12) . . ?
F12 P10 F14 90.05(12) . . ?
F12 P10 F15 178.94(17) . . ?
F12 P10 F16 90.54(16) . . ?
F13 P10 F11 89.68(15) . . ?
F13 P10 F12 91.50(16) . . ?
F13 P10 F14 90.63(14) . . ?
F13 P10 F15 89.56(16) . . ?
F13 P10 F16 177.85(17) . . ?
F14 P10 F11 179.67(15) . . ?
F14 P10 F15 90.04(12) . . ?
F14 P10 F16 90.04(13) . . ?
F15 P10 F16 88.40(16) . . ?
N2 N1 Ag1 118.83(19) . . ?
C9 N1 Ag1 118.2(2) . . ?
C9 N1 N2 120.9(3) . . ?
N1 N2 Ag1 118.54(19) . 3_565 ?
C3 N2 Ag1 117.9(2) . 3_565 ?
C3 N2 N1 120.8(3) . . ?
C11 N10 Ag1 112.9(2) . . ?
C15 N10 Ag1 121.9(2) . . ?
C15 N10 C11 117.7(3) . . ?
C17 N16 Ag1 112.4(2) . 3_565 ?
C21 N16 Ag1 123.6(2) . 3_565 ?
C21 N16 C17 117.7(3) . . ?
N2 C3 C4 120.8(3) . . ?
N2 C3 C17 115.2(3) . . ?
C4 C3 C17 123.8(3) . . ?
C3 C4 C5 130.7(3) . . ?
C8 C4 C3 118.5(3) . . ?
C8 C4 C5 110.7(3) . . ?
C4 C5 H5A 111.1 . . ?
C4 C5 H5B 111.1 . . ?
C4 C5 C6 103.1(3) . . ?
H5A C5 H5B 109.1 . . ?
C6 C5 H5A 111.1 . . ?
C6 C5 H5B 111.1 . . ?
C5 C6 H6A 110.6 . . ?
C5 C6 H6B 110.6 . . ?
H6A C6 H6B 108.7 . . ?
C7 C6 C5 105.7(3) . . ?
C7 C6 H6A 110.6 . . ?
C7 C6 H6B 110.6 . . ?
C6 C7 H7A 111.2 . . ?
C6 C7 H7B 111.2 . . ?
H7A C7 H7B 109.1 . . ?
C8 C7 C6 103.0(3) . . ?
C8 C7 H7A 111.2 . . ?
C8 C7 H7B 111.2 . . ?
C4 C8 C7 110.7(3) . . ?
C4 C8 C9 118.3(3) . . ?
C9 C8 C7 131.0(3) . . ?
N1 C9 C8 120.6(3) . . ?
N1 C9 C11 114.8(3) . . ?
C8 C9 C11 124.5(3) . . ?
N10 C11 C9 115.4(3) . . ?
N10 C11 C12 122.2(3) . . ?
C12 C11 C9 122.4(3) . . ?
C11 C12 H12 120.5 . . ?
C11 C12 C13 119.1(3) . . ?
C13 C12 H12 120.5 . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.8(3) . . ?
C14 C13 H13 120.6 . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.9(3) . . ?
C15 C14 H14 120.6 . . ?
N10 C15 C14 123.4(3) . . ?
N10 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
N16 C17 C3 115.3(3) . . ?
N16 C17 C18 122.2(3) . . ?
C18 C17 C3 122.5(3) . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.1(3) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 118.9(3) . . ?
C20 C19 H19 120.5 . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.3(3) . . ?
C21 C20 H20 120.9 . . ?
N16 C21 C20 123.7(3) . . ?
N16 C21 H21 118.1 . . ?
C20 C21 H21 118.1 . . ?
Cl32 C30 Cl32 180.0 . 3_667 ?
Cl33 C30 Cl32 113.81(15) 3_667 3_667 ?
Cl33 C30 Cl32 113.81(15) . . ?
Cl33 C30 Cl32 66.19(15) . 3_667 ?
Cl33 C30 Cl32 66.19(15) 3_667 . ?
Cl33 C30 Cl33 180.0 . 3_667 ?

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
Ag1 N1 N2 Ag1 -3.8(3) . . . 3_565 ?
Ag1 N1 N2 C3 -164.6(2) . . . . ?
Ag1 N1 C9 C8 167.0(2) . . . . ?
Ag1 N1 C9 C11 -10.6(4) . . . . ?
Ag1 N2 C3 C4 -162.8(2) 3_565 . . . ?
Ag1 N2 C3 C17 12.6(4) 3_565 . . . ?
Ag1 N10 C11 C9 -31.1(3) . . . . ?
Ag1 N10 C11 C12 149.7(3) . . . . ?
Ag1 N10 C15 C14 -147.4(3) . . . . ?
Ag1 N16 C17 C3 30.8(3) 3_565 . . . ?
Ag1 N16 C17 C18 -150.4(3) 3_565 . . . ?
Ag1 N16 C21 C20 148.8(3) 3_565 . . . ?
Cl32 Cl33 C30 Cl32 180.002(1) 3_667 . . . ?
Cl33 Cl32 C30 Cl33 180.001(1) 3_667 . . . ?
N1 N2 C3 C4 -1.9(5) . . . . ?
N1 N2 C3 C17 173.5(3) . . . . ?
N1 C9 C11 N10 28.5(4) . . . . ?
N1 C9 C11 C12 -152.3(3) . . . . ?
N2 N1 C9 C8 3.7(5) . . . . ?
N2 N1 C9 C11 -173.9(3) . . . . ?
N2 C3 C4 C5 179.7(3) . . . . ?
N2 C3 C4 C8 2.9(5) . . . . ?
N2 C3 C17 N16 -29.8(4) . . . . ?
N2 C3 C17 C18 151.5(3) . . . . ?
N10 C11 C12 C13 0.5(5) . . . . ?
N16 C17 C18 C19 -2.2(5) . . . . ?
C3 C4 C5 C6 -161.1(3) . . . . ?
C3 C4 C8 C7 177.2(3) . . . . ?
C3 C4 C8 C9 -0.7(5) . . . . ?
C3 C17 C18 C19 176.5(3) . . . . ?
C4 C3 C17 N16 145.4(3) . . . . ?
C4 C3 C17 C18 -33.3(5) . . . . ?
C4 C5 C6 C7 -24.9(4) . . . . ?
C4 C8 C9 N1 -2.5(5) . . . . ?
C4 C8 C9 C11 174.8(3) . . . . ?
C5 C4 C8 C7 -0.2(4) . . . . ?
C5 C4 C8 C9 -178.1(3) . . . . ?
C5 C6 C7 C8 24.8(3) . . . . ?
C6 C7 C8 C4 -15.6(4) . . . . ?
C6 C7 C8 C9 162.0(3) . . . . ?
C7 C8 C9 N1 -179.9(3) . . . . ?
C7 C8 C9 C11 -2.6(6) . . . . ?
C8 C4 C5 C6 15.9(4) . . . . ?
C8 C9 C11 N10 -149.0(3) . . . . ?
C8 C9 C11 C12 30.2(5) . . . . ?
C9 N1 N2 Ag1 159.3(2) . . . 3_565 ?
C9 N1 N2 C3 -1.5(5) . . . . ?
C9 C11 C12 C13 -178.6(3) . . . . ?
C11 N10 C15 C14 0.1(5) . . . . ?
C11 C12 C13 C14 0.2(5) . . . . ?
C12 C13 C14 C15 -0.7(5) . . . . ?
C13 C14 C15 N10 0.6(6) . . . . ?
C15 N10 C11 C9 178.5(3) . . . . ?
C15 N10 C11 C12 -0.7(5) . . . . ?
C17 N16 C21 C20 -1.2(5) . . . . ?
C17 C3 C4 C5 4.8(6) . . . . ?
C17 C3 C4 C8 -172.0(3) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C19 C20 C21 1.6(5) . . . . ?
C19 C20 C21 N16 -1.0(6) . . . . ?
C21 N16 C17 C3 -175.9(3) . . . . ?
C21 N16 C17 C18 2.8(5) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 1023450'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_6

_audit_creation_date             2014-05-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C34 H28 Ag2 N8), 2(C H2 Cl2), 4(B F4), H2 O'
_chemical_formula_sum            'C70 H62 Ag4 B4 Cl4 F16 N16 O'
_chemical_formula_weight         2063.87
_chemical_melting_point          ?
_chemical_oxdiff_formula         C17H14N4B1F4AG1
_chemical_oxdiff_usercomment     7490
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'
Cl Cl 0.3639 0.7018 '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'

_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      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   23.76695(15)
_cell_length_b                   13.12396(9)
_cell_length_c                   25.09710(17)
_cell_angle_alpha                90
_cell_angle_beta                 102.5639(7)
_cell_angle_gamma                90
_cell_volume                     7640.74(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    35616
_cell_measurement_temperature    120.01(10)
_cell_measurement_theta_max      75.7774
_cell_measurement_theta_min      2.8920
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.224
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4013
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            81531
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.966
_diffrn_reflns_theta_min         2.894
_diffrn_ambient_temperature      120.01(10)
_diffrn_detector_area_resol_mean 10.6501
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -78.00   -1.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218  124.0000  117.0000 77

#__ type_ start__ end____ width___ exp.time_
  2 omega   65.00  132.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000 -147.0000 -126.0000 67

#__ type_ start__ end____ width___ exp.time_
  3 omega   30.00   56.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000    9.0000  118.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega   88.00  177.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000    9.0000  118.0000 89

#__ type_ start__ end____ width___ exp.time_
  5 omega   81.00  157.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  147.0000  103.0000 76

#__ type_ start__ end____ width___ exp.time_
  6 omega  -43.00   34.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218   37.0000  120.0000 77

#__ type_ start__ end____ width___ exp.time_
  7 omega -111.00  -86.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218 -147.0000 -103.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega  -32.00    4.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218   37.0000 -180.0000 36

#__ type_ start__ end____ width___ exp.time_
  9 omega  -28.00   36.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218   37.0000   60.0000 64

#__ type_ start__ end____ width___ exp.time_
 10 omega   58.00   94.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -       39.9218 -125.0000    0.0000 36

#__ type_ start__ end____ width___ exp.time_
 11 omega   72.00  148.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  178.0000 -120.0000 76

#__ type_ start__ end____ width___ exp.time_
 12 omega  107.00  178.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   30.0000  -30.0000 71

#__ type_ start__ end____ width___ exp.time_
 13 omega   38.00  111.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000 -111.0000   60.0000 73

#__ type_ start__ end____ width___ exp.time_
 14 omega   29.00   90.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000   90.0000 61

#__ type_ start__ end____ width___ exp.time_
 15 omega  117.00  166.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  124.0000  -38.0000 49

#__ type_ start__ end____ width___ exp.time_
 16 omega   77.00  116.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000 -111.0000   90.0000 39

#__ type_ start__ end____ width___ exp.time_
 17 omega   38.00   88.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000 -120.0000 50

#__ type_ start__ end____ width___ exp.time_
 18 omega   32.00   58.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
 19 omega   79.00  105.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
 20 omega   29.00   89.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -94.0000  -90.0000 60

#__ type_ start__ end____ width___ exp.time_
 21 omega   63.00   88.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -30.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 22 omega   72.00   98.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -45.0000   30.0000 26

#__ type_ start__ end____ width___ exp.time_
 23 omega -114.00  -10.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218  -57.0000   90.0000 104

#__ type_ start__ end____ width___ exp.time_
 24 omega -114.00  -10.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218  -57.0000  -30.0000 104

#__ type_ start__ end____ width___ exp.time_
 25 omega -114.00  -10.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -      -39.9218  -57.0000 -150.0000 104

#__ type_ start__ end____ width___ exp.time_
 26 omega    1.00   29.00   1.0000    6.1800
omega____ theta____ kappa____ phi______ frames
    -       39.9218   91.0000   13.0000 28

#__ type_ start__ end____ width___ exp.time_
 27 omega   34.00   91.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000  -30.0000  150.0000 57

#__ type_ start__ end____ width___ exp.time_
 28 omega   84.00  178.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   45.0000 -180.0000 94

#__ type_ start__ end____ width___ exp.time_
 29 omega   81.00  178.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   30.0000 -120.0000 97

#__ type_ start__ end____ width___ exp.time_
 30 omega   78.00  164.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   77.0000   30.0000 86

#__ type_ start__ end____ width___ exp.time_
 31 omega   82.00  178.00   1.0000   24.7000
omega____ theta____ kappa____ phi______ frames
    -      112.0000   61.0000  -90.0000 96
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0646012000
_diffrn_orient_matrix_UB_12      0.0236606000
_diffrn_orient_matrix_UB_13      0.0062609000
_diffrn_orient_matrix_UB_21      0.0125710000
_diffrn_orient_matrix_UB_22      -0.1145780000
_diffrn_orient_matrix_UB_23      -0.0039534000
_diffrn_orient_matrix_UB_31      -0.0088825000
_diffrn_orient_matrix_UB_32      0.0095807000
_diffrn_orient_matrix_UB_33      -0.0624552000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13529
_reflns_number_total             15848
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.604
_refine_diff_density_min         -1.359
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         15848
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0586
_refine_ls_restrained_S_all      1.042
_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)+(0.0744P)²+28.9034P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1558
_refine_ls_wR_factor_ref         0.1671
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Others
 Sof(Ag7)=1-FVAR(1)
 Sof(Ag5)=Sof(Ag9)=0.5*(1-FVAR(2))
 Sof(Ag4)=Sof(Ag8)=0.5*FVAR(2)
 Sof(Ag6)=FVAR(1)
 Sof(F24)=1-FVAR(2)
 Sof(F21)=FVAR(2)
 Sof(F28)=1-FVAR(3)
 Sof(F30)=FVAR(3)
3.a Free rotating group:
 O93(H93A,H93B)
3.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C27(H27A,H27B), C28(H28A,H28B),
 C29(H29A,H29B), C48(H48A,H48B), C50(H50A,H50B), C51(H51A,H51B), C70(H70A,H70B),
  C71(H71A,H71B), C72(H72A,H72B), C87(H87A,H87B), C90(H90A,H90B)
3.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21),
 C22(H22), C34(H34), C35(H35), C36(H36), C37(H37), C40(H40), C41(H41), C42(H42),
  C43(H43), C56(H56), C57(H57), C58(H58), C59(H59), C62(H62), C63(H63),
 C64(H64), C65(H65), C77(H77), C78(H78), C79(H79), C80(H80), C83(H83), C84(H84),
  C85(H85), C86(H86)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.67093(2) 0.57531(3) 0.20602(2) 0.05048(11) Uani 1 1 d . . . . .
Ag2 Ag 0.7500 0.34546(4) 0.2500 0.05216(15) Uani 1 2 d S T P . .
Ag3 Ag 0.7500 0.80433(4) 0.2500 0.04189(12) Uani 1 2 d S T P . .
Ag4 Ag 0.2500 0.5356(3) 0.2500 0.0783(9) Uani 0.471(3) 2 d S T P A 1
Ag5 Ag 0.2500 0.49196(13) 0.2500 0.0434(4) Uani 0.529(3) 2 d S T P A 2
Ag6 Ag 0.26057(6) 0.32164(19) 0.32767(6) 0.0618(4) Uani 0.471(3) 1 d . . . A 1
Ag7 Ag 0.24655(6) 0.27529(13) 0.32494(5) 0.0530(3) Uani 0.529(3) 1 d . . . A 2
Ag8 Ag 0.2500 0.10766(15) 0.2500 0.0500(5) Uani 0.471(3) 2 d S T P A 1
Ag9 Ag 0.2500 0.03230(16) 0.2500 0.0650(5) Uani 0.529(3) 2 d S T P A 2
Cl88 Cl 0.65055(12) -0.02686(18) 0.59450(10) 0.1022(7) Uani 1 1 d . . . . .
Cl89 Cl 0.67675(13) 0.1141(2) 0.51442(10) 0.1066(7) Uani 1 1 d . . . . .
Cl91 Cl 0.55214(12) 0.7281(2) 0.03221(15) 0.1357(12) Uani 1 1 d . . . B 1
Cl92 Cl 0.44796(14) 0.8093(3) 0.05295(16) 0.1352(11) Uani 1 1 d . . . B 1
F11 F 0.79480(17) 0.3660(3) 0.63927(15) 0.0673(9) Uani 1 1 d . . . . .
F12 F 0.8540(2) 0.3269(5) 0.5836(2) 0.114(2) Uani 1 1 d . . . . .
F13 F 0.8241(3) 0.4866(4) 0.58805(19) 0.119(2) Uani 1 1 d . . . . .
F14 F 0.76235(19) 0.3679(4) 0.54840(17) 0.0924(14) Uani 1 1 d . . . . .
F16 F 0.53166(18) 0.4223(3) 0.30176(16) 0.0731(10) Uani 1 1 d . . . . .
F17 F 0.59497(15) 0.2914(2) 0.31936(15) 0.0615(8) Uani 1 1 d . . . . .
F18 F 0.5858(2) 0.3851(4) 0.24140(17) 0.0840(12) Uani 1 1 d . . . . .
F19 F 0.51390(17) 0.2762(3) 0.25196(15) 0.0714(10) Uani 1 1 d . . . . .
F21 F 0.5840(4) 0.1427(14) 0.1686(5) 0.107(6) Uani 0.430(14) 1 d . . . . .
F22 F 0.6041(4) -0.0101(5) 0.1397(2) 0.140(3) Uani 1 1 d . . . . .
F23 F 0.5388(3) 0.0872(8) 0.0894(3) 0.184(4) Uani 1 1 d . . . . .
F24 F 0.5237(5) -0.0509(12) 0.1384(5) 0.151(7) Uani 0.570(14) 1 d . . . . .
F25 F 0.5365(9) 0.0618(9) 0.1791(5) 0.281(9) Uani 1 1 d . . . . .
F27 F 0.4414(5) 0.1483(8) 0.5740(4) 0.198(4) Uani 1 1 d . . . . .
F28 F 0.4282(4) 0.1979(12) 0.4952(4) 0.196(7) Uani 0.760(13) 1 d . . . C 1
F29 F 0.5033(6) 0.1432(9) 0.5207(6) 0.274(7) Uani 1 1 d . . . . .
F30 F 0.5053(9) 0.1175(11) 0.5845(7) 0.081(7) Uani 0.240(13) 1 d . . . C 2
F31 F 0.4843(5) 0.2816(6) 0.5558(5) 0.203(4) Uani 1 1 d . . . . .
O93 O 0.1396(5) 0.1076(13) 0.5303(3) 0.240(8) Uani 1 1 d . . . . .
H93A H 0.1452 0.0823 0.5622 0.361 Uiso 1 1 d G . . . .
H93B H 0.1102 0.0798 0.5101 0.361 Uiso 1 1 d G . . . .
N1 N 0.70359(17) 0.6762(3) 0.14301(17) 0.0422(9) Uani 1 1 d . . . . .
N2 N 0.73346(17) 0.7615(3) 0.15934(16) 0.0406(8) Uani 1 1 d . . . . .
N11 N 0.80012(18) 0.9156(3) 0.20420(18) 0.0420(9) Uani 1 1 d . . . . .
N17 N 0.64872(17) 0.4983(4) 0.1236(2) 0.0497(10) Uani 1 1 d . . . . .
N23 N 0.71467(16) 0.4563(3) 0.31242(17) 0.0409(9) Uani 1 1 d . . . . .
N24 N 0.68354(16) 0.5391(3) 0.29437(18) 0.0402(9) Uani 1 1 d . . . . .
N32 N 0.61062(17) 0.6841(3) 0.2436(2) 0.0523(11) Uani 1 1 d . . . . .
N38 N 0.7667(2) 0.2740(4) 0.3348(2) 0.0546(11) Uani 1 1 d . . . . .
N44 N 0.16576(19) 0.3698(4) 0.29730(19) 0.0537(11) Uani 1 1 d . . . . .
N45 N 0.16422(16) 0.4550(4) 0.26838(18) 0.0503(11) Uani 1 1 d . . . . .
N54 N 0.1753(2) 0.6312(4) 0.2192(2) 0.0590(12) Uani 1 1 d . . . . .
N60 N 0.1865(3) 0.2129(5) 0.3662(2) 0.0744(17) Uani 1 1 d . . . . .
N66 N 0.3371(2) 0.2396(4) 0.3085(2) 0.0617(14) Uani 1 1 d . . . . .
N67 N 0.33598(19) 0.1553(4) 0.2797(2) 0.0564(12) Uani 1 1 d . . . . .
N75 N 0.3237(2) -0.0290(4) 0.2312(3) 0.0714(16) Uani 1 1 d . . . . .
N81 N 0.3293(3) 0.3944(5) 0.3771(2) 0.079(2) Uani 1 1 d . . . . .
C3 C 0.7600(2) 0.8132(4) 0.1259(2) 0.0435(11) Uani 1 1 d . . . . .
C4 C 0.7601(3) 0.7741(4) 0.0739(2) 0.0511(12) Uani 1 1 d . . . . .
C5 C 0.7903(3) 0.8121(5) 0.0305(2) 0.0638(16) Uani 1 1 d . . . . .
H5A H 0.8297 0.8323 0.0464 0.077 Uiso 1 1 calc R . . . .
H5B H 0.7700 0.8693 0.0107 0.077 Uiso 1 1 calc R . . . .
C6 C 0.7886(3) 0.7191(5) -0.0064(2) 0.0664(17) Uani 1 1 d . . . . .
H6A H 0.8235 0.6791 0.0046 0.080 Uiso 1 1 calc R . . . .
H6B H 0.7849 0.7399 -0.0441 0.080 Uiso 1 1 calc R . . . .
C7 C 0.7355(3) 0.6567(5) 0.0003(2) 0.0645(16) Uani 1 1 d . . . . .
H7A H 0.7015 0.6754 -0.0271 0.077 Uiso 1 1 calc R . . . .
H7B H 0.7422 0.5841 -0.0022 0.077 Uiso 1 1 calc R . . . .
C8 C 0.7289(3) 0.6861(4) 0.0572(2) 0.0496(12) Uani 1 1 d . . . . .
C10 C 0.6993(2) 0.6393(4) 0.0923(2) 0.0459(11) Uani 1 1 d . . . . .
C12 C 0.7887(2) 0.9090(4) 0.1497(2) 0.0450(11) Uani 1 1 d . . . . .
C13 C 0.8029(3) 0.9880(4) 0.1175(3) 0.0617(15) Uani 1 1 d . . . . .
H13 H 0.7939 0.9831 0.0796 0.074 Uiso 1 1 calc R . . . .
C14 C 0.8306(3) 1.0734(4) 0.1430(3) 0.0673(18) Uani 1 1 d . . . . .
H14 H 0.8401 1.1269 0.1223 0.081 Uiso 1 1 calc R . . . .
C15 C 0.8439(3) 1.0793(4) 0.1990(3) 0.0583(15) Uani 1 1 d . . . . .
H15 H 0.8633 1.1353 0.2169 0.070 Uiso 1 1 calc R . . . .
C16 C 0.8276(2) 0.9993(4) 0.2277(2) 0.0496(12) Uani 1 1 d . . . . .
H16 H 0.8360 1.0033 0.2656 0.059 Uiso 1 1 calc R . . . .
C18 C 0.6610(2) 0.5465(5) 0.0803(2) 0.0532(13) Uani 1 1 d . . . . .
C19 C 0.6386(3) 0.5147(6) 0.0277(3) 0.0699(18) Uani 1 1 d . . . . .
H19 H 0.6469 0.5493 -0.0020 0.084 Uiso 1 1 calc R . . . .
C20 C 0.6027(3) 0.4280(7) 0.0203(3) 0.087(3) Uani 1 1 d . . . . .
H20 H 0.5876 0.4036 -0.0146 0.105 Uiso 1 1 calc R . . . .
C21 C 0.5902(3) 0.3799(7) 0.0644(3) 0.078(2) Uani 1 1 d . . . . .
H21 H 0.5657 0.3238 0.0601 0.094 Uiso 1 1 calc R . . . .
C22 C 0.6144(2) 0.4163(5) 0.1150(3) 0.0612(16) Uani 1 1 d . . . . .
H22 H 0.6067 0.3825 0.1452 0.073 Uiso 1 1 calc R . . . .
C25 C 0.64638(19) 0.5789(4) 0.3224(2) 0.0420(11) Uani 1 1 d . . . . .
C26 C 0.6378(2) 0.5328(4) 0.3695(2) 0.0434(11) Uani 1 1 d . . . . .
C27 C 0.5938(2) 0.5531(5) 0.4034(3) 0.0545(14) Uani 1 1 d . . . . .
H27A H 0.5563 0.5676 0.3804 0.065 Uiso 1 1 calc R . . . .
H27B H 0.6054 0.6100 0.4280 0.065 Uiso 1 1 calc R . . . .
C28 C 0.5927(2) 0.4547(5) 0.4349(2) 0.0573(14) Uani 1 1 d . . . . .
H28A H 0.5621 0.4104 0.4160 0.069 Uiso 1 1 calc R . . . .
H28B H 0.5866 0.4685 0.4712 0.069 Uiso 1 1 calc R . . . .
C29 C 0.6522(2) 0.4049(5) 0.4381(2) 0.0543(13) Uani 1 1 d . . . . .
H29A H 0.6791 0.4237 0.4715 0.065 Uiso 1 1 calc R . . . .
H29B H 0.6491 0.3312 0.4360 0.065 Uiso 1 1 calc R . . . .
C30 C 0.6703(2) 0.4479(4) 0.3888(2) 0.0441(11) Uani 1 1 d . . . . .
C31 C 0.7101(2) 0.4121(4) 0.3592(2) 0.0436(11) Uani 1 1 d . . . . .
C33 C 0.6156(2) 0.6724(4) 0.2977(3) 0.0490(13) Uani 1 1 d . . . . .
C34 C 0.5949(3) 0.7441(4) 0.3293(3) 0.0645(18) Uani 1 1 d . . . . .
H34 H 0.5992 0.7342 0.3667 0.077 Uiso 1 1 calc R . . . .
C35 C 0.5679(3) 0.8304(5) 0.3045(5) 0.086(3) Uani 1 1 d . . . . .
H35 H 0.5533 0.8790 0.3247 0.103 Uiso 1 1 calc R . . . .
C36 C 0.5630(3) 0.8431(5) 0.2488(5) 0.086(3) Uani 1 1 d . . . . .
H36 H 0.5455 0.9009 0.2310 0.103 Uiso 1 1 calc R . . . .
C37 C 0.5847(2) 0.7684(4) 0.2202(3) 0.0652(18) Uani 1 1 d . . . . .
H37 H 0.5811 0.7770 0.1828 0.078 Uiso 1 1 calc R . . . .
C39 C 0.7478(2) 0.3219(4) 0.3752(2) 0.0484(12) Uani 1 1 d . . . . .
C40 C 0.7649(3) 0.2915(5) 0.4290(3) 0.0627(15) Uani 1 1 d . . . . .
H40 H 0.7522 0.3272 0.4562 0.075 Uiso 1 1 calc R . . . .
C41 C 0.8009(3) 0.2079(6) 0.4426(3) 0.079(2) Uani 1 1 d . . . . .
H41 H 0.8124 0.1864 0.4787 0.094 Uiso 1 1 calc R . . . .
C42 C 0.8191(3) 0.1577(6) 0.4014(4) 0.084(2) Uani 1 1 d . . . . .
H42 H 0.8429 0.1008 0.4089 0.100 Uiso 1 1 calc R . . . .
C43 C 0.8011(3) 0.1935(5) 0.3480(3) 0.0736(19) Uani 1 1 d . . . . .
H43 H 0.8138 0.1596 0.3202 0.088 Uiso 1 1 calc R . . . .
C46 C 0.12085(18) 0.5224(4) 0.2651(2) 0.0414(10) Uani 1 1 d . . . . .
C47 C 0.07834(18) 0.5066(4) 0.2948(2) 0.0418(11) Uani 1 1 d . . . . .
C48 C 0.0295(2) 0.5742(4) 0.3030(3) 0.0529(13) Uani 1 1 d . . . . .
H48A H -0.0037 0.5678 0.2730 0.063 Uiso 1 1 calc R . . . .
H48B H 0.0413 0.6450 0.3069 0.063 Uiso 1 1 calc R . . . .
C50 C 0.0167(2) 0.5328(5) 0.3559(3) 0.0632(16) Uani 1 1 d . . . . .
H50A H -0.0241 0.5393 0.3556 0.076 Uiso 1 1 calc R . . . .
H50B H 0.0386 0.5694 0.3871 0.076 Uiso 1 1 calc R . . . .
C51 C 0.0346(2) 0.4198(5) 0.3581(3) 0.0556(14) Uani 1 1 d . . . . .
H51A H 0.0496 0.3978 0.3954 0.067 Uiso 1 1 calc R . . . .
H51B H 0.0024 0.3765 0.3416 0.067 Uiso 1 1 calc R . . . .
C52 C 0.08068(19) 0.4184(4) 0.3254(2) 0.0437(11) Uani 1 1 d . . . . .
C53 C 0.1246(2) 0.3493(4) 0.3241(2) 0.0505(12) Uani 1 1 d . . . . .
C55 C 0.1234(2) 0.6117(4) 0.2295(2) 0.0495(12) Uani 1 1 d . . . . .
C56 C 0.0746(3) 0.6687(5) 0.2061(3) 0.0606(14) Uani 1 1 d . . . . .
H56 H 0.0386 0.6516 0.2123 0.073 Uiso 1 1 calc R . . . .
C57 C 0.0809(4) 0.7511(6) 0.1735(3) 0.082(2) Uani 1 1 d . . . . .
H57 H 0.0494 0.7913 0.1580 0.098 Uiso 1 1 calc R . . . .
C58 C 0.1353(5) 0.7724(6) 0.1643(3) 0.092(3) Uani 1 1 d . . . . .
H58 H 0.1412 0.8276 0.1430 0.111 Uiso 1 1 calc R . . . .
C59 C 0.1803(4) 0.7093(6) 0.1878(3) 0.082(2) Uani 1 1 d . . . . .
H59 H 0.2165 0.7229 0.1811 0.099 Uiso 1 1 calc R . . . .
C61 C 0.1319(3) 0.2496(5) 0.3540(3) 0.0644(17) Uani 1 1 d . . . . .
C62 C 0.0863(4) 0.1970(6) 0.3665(4) 0.092(3) Uani 1 1 d . . . . .
H62 H 0.0490 0.2223 0.3565 0.111 Uiso 1 1 calc R . . . .
C63 C 0.0977(6) 0.1048(7) 0.3946(5) 0.131(5) Uani 1 1 d . . . . .
H63 H 0.0673 0.0683 0.4032 0.157 Uiso 1 1 calc R . . . .
C64 C 0.1512(7) 0.0679(7) 0.4093(5) 0.138(6) Uani 1 1 d . . . . .
H64 H 0.1591 0.0083 0.4297 0.166 Uiso 1 1 calc R . . . .
C65 C 0.1929(5) 0.1210(7) 0.3934(3) 0.101(4) Uani 1 1 d . . . . .
H65 H 0.2297 0.0931 0.4015 0.121 Uiso 1 1 calc R . . . .
C68 C 0.3838(2) 0.1014(4) 0.2806(2) 0.0470(12) Uani 1 1 d . . . . .
C69 C 0.4355(2) 0.1279(4) 0.3168(2) 0.0473(12) Uani 1 1 d . . . . .
C70 C 0.4919(2) 0.0724(4) 0.3324(3) 0.0612(16) Uani 1 1 d . . . . .
H70A H 0.5165 0.0870 0.3072 0.073 Uiso 1 1 calc R . . . .
H70B H 0.4861 -0.0007 0.3338 0.073 Uiso 1 1 calc R . . . .
C71 C 0.5176(2) 0.1158(4) 0.3896(3) 0.0646(17) Uani 1 1 d . . . . .
H71A H 0.5594 0.1159 0.3970 0.078 Uiso 1 1 calc R . . . .
H71B H 0.5050 0.0767 0.4177 0.078 Uiso 1 1 calc R . . . .
C72 C 0.4936(2) 0.2259(4) 0.3869(3) 0.0559(14) Uani 1 1 d . . . . .
H72A H 0.4887 0.2488 0.4223 0.067 Uiso 1 1 calc R . . . .
H72B H 0.5186 0.2731 0.3733 0.067 Uiso 1 1 calc R . . . .
C73 C 0.4366(2) 0.2147(4) 0.3473(2) 0.0476(12) Uani 1 1 d . . . . .
C74 C 0.3861(3) 0.2727(4) 0.3408(2) 0.0553(14) Uani 1 1 d . . . . .
C76 C 0.3766(2) 0.0110(4) 0.2442(3) 0.0529(13) Uani 1 1 d . . . . .
C77 C 0.4216(3) -0.0268(4) 0.2236(3) 0.0620(16) Uani 1 1 d . . . . .
H77 H 0.4576 0.0046 0.2321 0.074 Uiso 1 1 calc R . . . .
C78 C 0.4130(4) -0.1113(5) 0.1903(3) 0.086(3) Uani 1 1 d . . . . .
H78 H 0.4428 -0.1384 0.1761 0.103 Uiso 1 1 calc R . . . .
C79 C 0.3585(5) -0.1547(6) 0.1787(4) 0.110(4) Uani 1 1 d . . . . .
H79 H 0.3514 -0.2135 0.1576 0.132 Uiso 1 1 calc R . . . .
C80 C 0.3159(4) -0.1105(7) 0.1984(4) 0.101(3) Uani 1 1 d . . . . .
H80 H 0.2791 -0.1384 0.1887 0.122 Uiso 1 1 calc R . . . .
C82 C 0.3818(3) 0.3715(5) 0.3685(2) 0.0644(18) Uani 1 1 d . . . . .
C83 C 0.4284(4) 0.4363(5) 0.3823(3) 0.073(2) Uani 1 1 d . . . . .
H83 H 0.4639 0.4190 0.3747 0.088 Uiso 1 1 calc R . . . .
C84 C 0.4211(5) 0.5283(5) 0.4077(3) 0.089(3) Uani 1 1 d . . . . .
H84 H 0.4515 0.5739 0.4179 0.107 Uiso 1 1 calc R . . . .
C85 C 0.3662(6) 0.5502(7) 0.4176(3) 0.109(4) Uani 1 1 d . . . . .
H85 H 0.3597 0.6103 0.4349 0.131 Uiso 1 1 calc R . . . .
C86 C 0.3241(6) 0.4839(8) 0.4017(3) 0.108(4) Uani 1 1 d . . . . .
H86 H 0.2881 0.5003 0.4081 0.130 Uiso 1 1 calc R . . . .
C87 C 0.6239(4) 0.0328(6) 0.5304(3) 0.0779(19) Uani 1 1 d . . . . .
H87A H 0.6136 -0.0187 0.5023 0.093 Uiso 1 1 calc R . . . .
H87B H 0.5896 0.0717 0.5318 0.093 Uiso 1 1 calc R . . . .
C90 C 0.5143(5) 0.8435(9) 0.0314(5) 0.122(4) Uani 1 1 d . . . B 1
H90A H 0.5056 0.8728 -0.0050 0.147 Uiso 1 1 calc R . . B 1
H90B H 0.5366 0.8923 0.0565 0.147 Uiso 1 1 calc R . . B 1
B10 B 0.8085(3) 0.3853(6) 0.5899(3) 0.0607(17) Uani 1 1 d . . . . .
B15 B 0.5570(3) 0.3430(6) 0.2777(3) 0.0582(16) Uani 1 1 d . . . . .
B20 B 0.5560(6) 0.060(2) 0.1387(5) 0.158(9) Uani 1 1 d . . . . .
B26 B 0.4707(5) 0.1898(7) 0.5405(4) 0.079(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.322(4) . ?
Ag1 N17 2.260(5) . ?
Ag1 N24 2.223(4) . ?
Ag1 N32 2.361(5) . ?
Ag2 N23 2.418(4) 2_655 ?
Ag2 N23 2.418(4) . ?
Ag2 N38 2.280(5) 2_655 ?
Ag2 N38 2.280(5) . ?
Ag3 N2 2.293(4) 2_655 ?
Ag3 N2 2.293(4) . ?
Ag3 N11 2.338(4) 2_655 ?
Ag3 N11 2.338(4) . ?
Ag4 N45 2.428(5) 2 ?
Ag4 N45 2.428(5) . ?
Ag4 N54 2.174(6) 2 ?
Ag4 N54 2.174(6) . ?
Ag5 N45 2.239(4) . ?
Ag5 N45 2.239(4) 2 ?
Ag5 N54 2.548(6) . ?
Ag5 N54 2.548(6) 2 ?
Ag6 N44 2.304(4) . ?
Ag6 N60 2.611(8) . ?
Ag6 N66 2.253(4) . ?
Ag6 N81 2.059(8) . ?
Ag7 N44 2.264(4) . ?
Ag7 N60 2.104(8) . ?
Ag7 N66 2.325(5) . ?
Ag7 N81 2.628(8) . ?
Ag8 N67 2.112(5) . ?
Ag8 N67 2.112(5) 2 ?
Ag8 N75 2.619(7) . ?
Ag8 N75 2.619(7) 2 ?
Ag9 N67 2.584(5) 2 ?
Ag9 N67 2.584(6) . ?
Ag9 N75 2.072(6) 2 ?
Ag9 N75 2.072(6) . ?
Cl88 C87 1.776(8) . ?
Cl89 C87 1.760(8) . ?
Cl91 C90 1.759(11) . ?
Cl92 C90 1.831(13) . ?
F11 B10 1.371(8) . ?
F12 B10 1.362(9) . ?
F13 B10 1.384(9) . ?
F14 B10 1.358(8) . ?
F16 B15 1.403(8) . ?
F17 B15 1.398(8) . ?
F18 B15 1.369(9) . ?
F19 B15 1.396(7) . ?
F21 F25 1.61(2) . ?
F21 B20 1.40(2) . ?
F22 B20 1.47(2) . ?
F23 B20 1.268(15) . ?
F24 B20 1.65(3) . ?
F25 B20 1.202(15) . ?
F27 F30 1.54(2) . ?
F27 B26 1.320(12) . ?
F28 B26 1.351(13) . ?
F29 F30 1.63(2) . ?
F29 B26 1.178(10) . ?
F30 B26 1.55(2) . ?
F31 B26 1.284(12) . ?
O93 H93A 0.8508 . ?
O93 H93B 0.8501 . ?
N1 N2 1.341(6) . ?
N1 C10 1.344(7) . ?
N2 C3 1.339(7) . ?
N11 C12 1.338(7) . ?
N11 C16 1.347(7) . ?
N17 C18 1.344(8) . ?
N17 C22 1.339(7) . ?
N23 N24 1.337(6) . ?
N23 C31 1.335(7) . ?
N24 C25 1.348(6) . ?
N32 C33 1.344(8) . ?
N32 C37 1.339(7) . ?
N38 C39 1.350(7) . ?
N38 C43 1.332(8) . ?
N44 N45 1.330(7) . ?
N44 C53 1.328(8) . ?
N45 C46 1.347(6) . ?
N54 C55 1.339(7) . ?
N54 C59 1.313(10) . ?
N60 C61 1.355(9) . ?
N60 C65 1.377(11) . ?
N66 N67 1.319(8) . ?
N66 C74 1.339(9) . ?
N67 C68 1.334(6) . ?
N75 C76 1.336(7) . ?
N75 C80 1.338(12) . ?
N81 C82 1.344(9) . ?
N81 C86 1.346(11) . ?
C3 C4 1.403(7) . ?
C3 C12 1.492(7) . ?
C4 C5 1.513(8) . ?
C4 C8 1.388(8) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.529(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.545(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.519(8) . ?
C8 C10 1.384(8) . ?
C10 C18 1.511(8) . ?
C12 C13 1.400(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.385(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.376(8) . ?
C16 H16 0.9300 . ?
C18 C19 1.375(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.410(11) . ?
C20 H20 0.9300 . ?
C20 C21 1.363(12) . ?
C21 H21 0.9300 . ?
C21 C22 1.362(9) . ?
C22 H22 0.9300 . ?
C25 C26 1.384(8) . ?
C25 C33 1.492(7) . ?
C26 C27 1.508(7) . ?
C26 C30 1.382(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.517(9) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.545(8) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.504(8) . ?
C30 C31 1.406(7) . ?
C31 C39 1.486(7) . ?
C33 C34 1.389(8) . ?
C34 H34 0.9300 . ?
C34 C35 1.382(10) . ?
C35 H35 0.9300 . ?
C35 C36 1.388(13) . ?
C36 H36 0.9300 . ?
C36 C37 1.379(11) . ?
C37 H37 0.9300 . ?
C39 C40 1.384(9) . ?
C40 H40 0.9300 . ?
C40 C41 1.387(9) . ?
C41 H41 0.9300 . ?
C41 C42 1.374(11) . ?
C42 H42 0.9300 . ?
C42 C43 1.397(11) . ?
C43 H43 0.9300 . ?
C46 C47 1.396(7) . ?
C46 C55 1.482(8) . ?
C47 C48 1.510(6) . ?
C47 C52 1.384(8) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 C50 1.524(9) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.541(9) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.504(7) . ?
C52 C53 1.390(7) . ?
C53 C61 1.500(9) . ?
C55 C56 1.398(8) . ?
C56 H56 0.9300 . ?
C56 C57 1.382(10) . ?
C57 H57 0.9300 . ?
C57 C58 1.390(13) . ?
C58 H58 0.9300 . ?
C58 C59 1.380(13) . ?
C59 H59 0.9300 . ?
C61 C62 1.377(12) . ?
C62 H62 0.9300 . ?
C62 C63 1.397(12) . ?
C63 H63 0.9300 . ?
C63 C64 1.335(17) . ?
C64 H64 0.9300 . ?
C64 C65 1.342(17) . ?
C65 H65 0.9300 . ?
C68 C69 1.404(7) . ?
C68 C76 1.485(8) . ?
C69 C70 1.502(6) . ?
C69 C73 1.370(8) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C70 C71 1.542(9) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C71 C72 1.549(7) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C72 C73 1.504(8) . ?
C73 C74 1.399(7) . ?
C74 C82 1.486(9) . ?
C76 C77 1.379(9) . ?
C77 H77 0.9300 . ?
C77 C78 1.377(9) . ?
C78 H78 0.9300 . ?
C78 C79 1.386(13) . ?
C79 H79 0.9300 . ?
C79 C80 1.352(15) . ?
C80 H80 0.9300 . ?
C82 C83 1.380(11) . ?
C83 H83 0.9300 . ?
C83 C84 1.395(9) . ?
C84 H84 0.9300 . ?
C84 C85 1.411(15) . ?
C85 H85 0.9300 . ?
C85 C86 1.318(16) . ?
C86 H86 0.9300 . ?
C87 H87A 0.9700 . ?
C87 H87B 0.9700 . ?
C90 H90A 0.9700 . ?
C90 H90B 0.9700 . ?

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 N32 104.44(16) . . ?
N17 Ag1 N1 71.18(16) . . ?
N17 Ag1 N32 126.54(16) . . ?
N24 Ag1 N1 143.96(14) . . ?
N24 Ag1 N17 140.50(16) . . ?
N24 Ag1 N32 72.08(17) . . ?
N23 Ag2 N23 106.0(2) 2_655 . ?
N38 Ag2 N23 146.88(16) . 2_655 ?
N38 Ag2 N23 69.99(15) 2_655 2_655 ?
N38 Ag2 N23 146.88(16) 2_655 . ?
N38 Ag2 N23 69.99(15) . . ?
N38 Ag2 N38 131.4(2) . 2_655 ?
N2 Ag3 N2 151.6(2) 2_655 . ?
N2 Ag3 N11 70.19(15) 2_655 2_655 ?
N2 Ag3 N11 130.18(14) . 2_655 ?
N2 Ag3 N11 130.18(14) 2_655 . ?
N2 Ag3 N11 70.19(15) . . ?
N11 Ag3 N11 102.72(19) 2_655 . ?
N45 Ag4 N45 128.4(3) 2 . ?
N54 Ag4 N45 146.93(17) . 2 ?
N54 Ag4 N45 70.40(17) 2 2 ?
N54 Ag4 N45 146.93(17) 2 . ?
N54 Ag4 N45 70.40(17) . . ?
N54 Ag4 N54 109.5(3) 2 . ?
N45 Ag5 N45 155.0(3) 2 . ?
N45 Ag5 N54 67.19(17) 2 2 ?
N45 Ag5 N54 134.28(17) . 2 ?
N45 Ag5 N54 134.28(17) 2 . ?
N45 Ag5 N54 67.19(17) . . ?
N54 Ag5 N54 88.3(2) 2 . ?
N44 Ag6 N60 65.34(18) . . ?
N66 Ag6 N44 146.8(2) . . ?
N66 Ag6 N60 117.3(2) . . ?
N81 Ag6 N44 131.5(2) . . ?
N81 Ag6 N60 122.8(2) . . ?
N81 Ag6 N66 77.2(2) . . ?
N44 Ag7 N66 144.28(19) . . ?
N44 Ag7 N81 108.65(18) . . ?
N60 Ag7 N44 75.1(2) . . ?
N60 Ag7 N66 139.7(2) . . ?
N60 Ag7 N81 120.07(19) . . ?
N66 Ag7 N81 65.58(19) . . ?
N67 Ag8 N67 145.5(3) . 2 ?
N67 Ag8 N75 68.46(18) . . ?
N67 Ag8 N75 140.59(19) . 2 ?
N67 Ag8 N75 140.59(19) 2 . ?
N67 Ag8 N75 68.46(18) 2 2 ?
N75 Ag8 N75 93.6(2) 2 . ?
N67 Ag9 N67 102.6(2) . 2 ?
N75 Ag9 N67 69.73(19) . . ?
N75 Ag9 N67 146.24(19) . 2 ?
N75 Ag9 N67 146.24(19) 2 . ?
N75 Ag9 N67 69.73(19) 2 2 ?
N75 Ag9 N75 134.3(3) 2 . ?
B20 F21 F25 46.4(8) . . ?
B20 F25 F21 57.4(13) . . ?
B26 F27 F30 65.1(9) . . ?
B26 F29 F30 64.7(9) . . ?
F27 F30 F29 87.7(11) . . ?
F27 F30 B26 50.7(8) . . ?
B26 F30 F29 43.5(6) . . ?
H93A O93 H93B 109.5 . . ?
N2 N1 Ag1 120.1(3) . . ?
N2 N1 C10 121.0(4) . . ?
C10 N1 Ag1 118.2(3) . . ?
N1 N2 Ag3 118.2(3) . . ?
C3 N2 Ag3 119.7(3) . . ?
C3 N2 N1 121.5(4) . . ?
C12 N11 Ag3 116.8(3) . . ?
C12 N11 C16 118.1(5) . . ?
C16 N11 Ag3 123.0(4) . . ?
C18 N17 Ag1 118.7(4) . . ?
C22 N17 Ag1 121.2(4) . . ?
C22 N17 C18 118.8(5) . . ?
N24 N23 Ag2 120.9(3) . . ?
C31 N23 Ag2 114.4(3) . . ?
C31 N23 N24 120.4(4) . . ?
N23 N24 Ag1 117.1(3) . . ?
N23 N24 C25 121.0(4) . . ?
C25 N24 Ag1 118.4(3) . . ?
C33 N32 Ag1 113.9(3) . . ?
C37 N32 Ag1 125.9(5) . . ?
C37 N32 C33 118.0(6) . . ?
C39 N38 Ag2 119.3(4) . . ?
C43 N38 Ag2 122.1(4) . . ?
C43 N38 C39 118.0(6) . . ?
N45 N44 Ag6 108.7(3) . . ?
N45 N44 Ag7 123.3(3) . . ?
C53 N44 Ag6 123.4(4) . . ?
C53 N44 Ag7 113.7(4) . . ?
C53 N44 N45 120.7(4) . . ?
N44 N45 Ag4 123.1(3) . . ?
N44 N45 Ag5 112.1(3) . . ?
N44 N45 C46 121.1(4) . . ?
C46 N45 Ag4 111.4(4) . . ?
C46 N45 Ag5 124.3(4) . . ?
C55 N54 Ag4 122.4(4) . . ?
C55 N54 Ag5 114.5(4) . . ?
C59 N54 Ag4 119.3(5) . . ?
C59 N54 Ag5 126.4(5) . . ?
C59 N54 C55 118.2(7) . . ?
C61 N60 Ag6 114.3(5) . . ?
C61 N60 Ag7 118.0(5) . . ?
C61 N60 C65 114.8(8) . . ?
C65 N60 Ag6 130.7(6) . . ?
C65 N60 Ag7 124.9(6) . . ?
N67 N66 Ag6 126.7(4) . . ?
N67 N66 Ag7 111.0(4) . . ?
N67 N66 C74 121.0(4) . . ?
C74 N66 Ag6 110.7(4) . . ?
C74 N66 Ag7 123.0(4) . . ?
N66 N67 Ag8 110.1(3) . . ?
N66 N67 Ag9 127.0(3) . . ?
N66 N67 C68 121.3(5) . . ?
C68 N67 Ag8 127.2(4) . . ?
C68 N67 Ag9 106.9(4) . . ?
C76 N75 Ag8 108.5(4) . . ?
C76 N75 Ag9 126.1(5) . . ?
C76 N75 C80 117.5(7) . . ?
C80 N75 Ag8 130.5(5) . . ?
C80 N75 Ag9 116.1(5) . . ?
C82 N81 Ag6 116.3(5) . . ?
C82 N81 Ag7 114.0(5) . . ?
C82 N81 C86 116.7(9) . . ?
C86 N81 Ag6 122.8(6) . . ?
C86 N81 Ag7 127.9(7) . . ?
N2 C3 C4 119.6(5) . . ?
N2 C3 C12 114.4(4) . . ?
C4 C3 C12 126.0(5) . . ?
C3 C4 C5 130.2(5) . . ?
C8 C4 C3 118.4(5) . . ?
C8 C4 C5 111.3(5) . . ?
C4 C5 H5A 111.2 . . ?
C4 C5 H5B 111.2 . . ?
C4 C5 C6 102.6(5) . . ?
H5A C5 H5B 109.2 . . ?
C6 C5 H5A 111.2 . . ?
C6 C5 H5B 111.2 . . ?
C5 C6 H6A 110.6 . . ?
C5 C6 H6B 110.6 . . ?
C5 C6 C7 105.7(5) . . ?
H6A C6 H6B 108.7 . . ?
C7 C6 H6A 110.6 . . ?
C7 C6 H6B 110.6 . . ?
C6 C7 H7A 111.2 . . ?
C6 C7 H7B 111.2 . . ?
H7A C7 H7B 109.1 . . ?
C8 C7 C6 102.8(5) . . ?
C8 C7 H7A 111.2 . . ?
C8 C7 H7B 111.2 . . ?
C4 C8 C7 109.7(5) . . ?
C10 C8 C4 119.3(5) . . ?
C10 C8 C7 131.0(5) . . ?
N1 C10 C8 119.9(5) . . ?
N1 C10 C18 113.4(5) . . ?
C8 C10 C18 126.7(5) . . ?
N11 C12 C3 115.9(4) . . ?
N11 C12 C13 121.5(5) . . ?
C13 C12 C3 122.6(5) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.8(6) . . ?
C14 C13 H13 120.6 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.9(5) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 121.2 . . ?
C14 C15 C16 117.7(5) . . ?
C16 C15 H15 121.2 . . ?
N11 C16 C15 123.9(6) . . ?
N11 C16 H16 118.0 . . ?
C15 C16 H16 118.0 . . ?
N17 C18 C10 116.5(5) . . ?
N17 C18 C19 121.7(6) . . ?
C19 C18 C10 121.8(6) . . ?
C18 C19 H19 121.1 . . ?
C18 C19 C20 117.9(7) . . ?
C20 C19 H19 121.1 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(6) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.9 . . ?
C22 C21 C20 118.1(7) . . ?
C22 C21 H21 120.9 . . ?
N17 C22 C21 123.4(7) . . ?
N17 C22 H22 118.3 . . ?
C21 C22 H22 118.3 . . ?
N24 C25 C26 120.8(5) . . ?
N24 C25 C33 114.8(5) . . ?
C26 C25 C33 124.4(4) . . ?
C25 C26 C27 130.9(5) . . ?
C30 C26 C25 118.5(4) . . ?
C30 C26 C27 110.4(5) . . ?
C26 C27 H27A 111.0 . . ?
C26 C27 H27B 111.0 . . ?
C26 C27 C28 103.6(5) . . ?
H27A C27 H27B 109.0 . . ?
C28 C27 H27A 111.0 . . ?
C28 C27 H27B 111.0 . . ?
C27 C28 H28A 110.6 . . ?
C27 C28 H28B 110.6 . . ?
C27 C28 C29 105.6(5) . . ?
H28A C28 H28B 108.8 . . ?
C29 C28 H28A 110.6 . . ?
C29 C28 H28B 110.6 . . ?
C28 C29 H29A 111.2 . . ?
C28 C29 H29B 111.2 . . ?
H29A C29 H29B 109.1 . . ?
C30 C29 C28 102.7(5) . . ?
C30 C29 H29A 111.2 . . ?
C30 C29 H29B 111.2 . . ?
C26 C30 C29 110.7(4) . . ?
C26 C30 C31 118.3(5) . . ?
C31 C30 C29 130.9(5) . . ?
N23 C31 C30 120.8(5) . . ?
N23 C31 C39 115.1(4) . . ?
C30 C31 C39 124.1(5) . . ?
N32 C33 C25 116.2(5) . . ?
N32 C33 C34 122.3(6) . . ?
C34 C33 C25 121.4(6) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 C33 119.0(8) . . ?
C35 C34 H34 120.5 . . ?
C34 C35 H35 120.6 . . ?
C34 C35 C36 118.9(7) . . ?
C36 C35 H35 120.6 . . ?
C35 C36 H36 120.7 . . ?
C37 C36 C35 118.6(7) . . ?
C37 C36 H36 120.7 . . ?
N32 C37 C36 123.2(8) . . ?
N32 C37 H37 118.4 . . ?
C36 C37 H37 118.4 . . ?
N38 C39 C31 116.7(5) . . ?
N38 C39 C40 121.6(5) . . ?
C40 C39 C31 121.6(5) . . ?
C39 C40 H40 119.9 . . ?
C39 C40 C41 120.1(6) . . ?
C41 C40 H40 119.9 . . ?
C40 C41 H41 120.9 . . ?
C42 C41 C40 118.2(7) . . ?
C42 C41 H41 120.9 . . ?
C41 C42 H42 120.6 . . ?
C41 C42 C43 118.7(6) . . ?
C43 C42 H42 120.6 . . ?
N38 C43 C42 123.2(7) . . ?
N38 C43 H43 118.4 . . ?
C42 C43 H43 118.4 . . ?
N45 C46 C47 120.2(5) . . ?
N45 C46 C55 115.2(5) . . ?
C47 C46 C55 124.7(4) . . ?
C46 C47 C48 130.8(5) . . ?
C52 C47 C46 118.4(4) . . ?
C52 C47 C48 110.8(4) . . ?
C47 C48 H48A 111.3 . . ?
C47 C48 H48B 111.3 . . ?
C47 C48 C50 102.4(5) . . ?
H48A C48 H48B 109.2 . . ?
C50 C48 H48A 111.3 . . ?
C50 C48 H48B 111.3 . . ?
C48 C50 H50A 110.6 . . ?
C48 C50 H50B 110.6 . . ?
C48 C50 C51 105.6(5) . . ?
H50A C50 H50B 108.8 . . ?
C51 C50 H50A 110.6 . . ?
C51 C50 H50B 110.6 . . ?
C50 C51 H51A 111.2 . . ?
C50 C51 H51B 111.2 . . ?
H51A C51 H51B 109.1 . . ?
C52 C51 C50 102.7(5) . . ?
C52 C51 H51A 111.2 . . ?
C52 C51 H51B 111.2 . . ?
C47 C52 C51 110.3(4) . . ?
C47 C52 C53 118.2(5) . . ?
C53 C52 C51 131.4(5) . . ?
N44 C53 C52 121.3(5) . . ?
N44 C53 C61 114.4(5) . . ?
C52 C53 C61 124.2(6) . . ?
N54 C55 C46 115.3(5) . . ?
N54 C55 C56 122.1(6) . . ?
C56 C55 C46 122.5(5) . . ?
C55 C56 H56 120.6 . . ?
C57 C56 C55 118.7(7) . . ?
C57 C56 H56 120.6 . . ?
C56 C57 H57 120.7 . . ?
C56 C57 C58 118.6(8) . . ?
C58 C57 H57 120.7 . . ?
C57 C58 H58 120.9 . . ?
C59 C58 C57 118.1(7) . . ?
C59 C58 H58 120.9 . . ?
N54 C59 C58 124.1(8) . . ?
N54 C59 H59 117.9 . . ?
C58 C59 H59 117.9 . . ?
N60 C61 C53 115.1(7) . . ?
N60 C61 C62 122.2(7) . . ?
C62 C61 C53 122.7(6) . . ?
C61 C62 H62 120.9 . . ?
C61 C62 C63 118.3(9) . . ?
C63 C62 H62 120.9 . . ?
C62 C63 H63 119.2 . . ?
C64 C63 C62 121.5(12) . . ?
C64 C63 H63 119.2 . . ?
C63 C64 H64 121.7 . . ?
C63 C64 C65 116.7(9) . . ?
C65 C64 H64 121.7 . . ?
N60 C65 H65 116.8 . . ?
C64 C65 N60 126.4(9) . . ?
C64 C65 H65 116.8 . . ?
N67 C68 C69 120.2(5) . . ?
N67 C68 C76 115.4(5) . . ?
C69 C68 C76 124.3(4) . . ?
C68 C69 C70 131.0(5) . . ?
C73 C69 C68 118.4(5) . . ?
C73 C69 C70 110.5(5) . . ?
C69 C70 H70A 111.3 . . ?
C69 C70 H70B 111.3 . . ?
C69 C70 C71 102.3(5) . . ?
H70A C70 H70B 109.2 . . ?
C71 C70 H70A 111.3 . . ?
C71 C70 H70B 111.3 . . ?
C70 C71 H71A 111.0 . . ?
C70 C71 H71B 111.0 . . ?
C70 C71 C72 103.7(5) . . ?
H71A C71 H71B 109.0 . . ?
C72 C71 H71A 111.0 . . ?
C72 C71 H71B 111.0 . . ?
C71 C72 H72A 111.4 . . ?
C71 C72 H72B 111.4 . . ?
H72A C72 H72B 109.2 . . ?
C73 C72 C71 102.0(4) . . ?
C73 C72 H72A 111.4 . . ?
C73 C72 H72B 111.4 . . ?
C69 C73 C72 110.8(4) . . ?
C69 C73 C74 118.4(5) . . ?
C74 C73 C72 130.6(5) . . ?
N66 C74 C73 120.4(6) . . ?
N66 C74 C82 115.2(5) . . ?
C73 C74 C82 124.4(6) . . ?
N75 C76 C68 116.1(6) . . ?
N75 C76 C77 122.3(6) . . ?
C77 C76 C68 121.6(5) . . ?
C76 C77 H77 120.3 . . ?
C78 C77 C76 119.4(6) . . ?
C78 C77 H77 120.3 . . ?
C77 C78 H78 121.0 . . ?
C77 C78 C79 118.0(9) . . ?
C79 C78 H78 121.0 . . ?
C78 C79 H79 120.5 . . ?
C80 C79 C78 119.1(8) . . ?
C80 C79 H79 120.5 . . ?
N75 C80 C79 123.7(7) . . ?
N75 C80 H80 118.2 . . ?
C79 C80 H80 118.2 . . ?
N81 C82 C74 115.6(7) . . ?
N81 C82 C83 123.0(6) . . ?
C83 C82 C74 121.4(6) . . ?
C82 C83 H83 120.8 . . ?
C82 C83 C84 118.3(8) . . ?
C84 C83 H83 120.8 . . ?
C83 C84 H84 121.0 . . ?
C83 C84 C85 117.9(10) . . ?
C85 C84 H84 121.0 . . ?
C84 C85 H85 120.6 . . ?
C86 C85 C84 118.9(8) . . ?
C86 C85 H85 120.6 . . ?
N81 C86 H86 117.5 . . ?
C85 C86 N81 125.1(10) . . ?
C85 C86 H86 117.5 . . ?
Cl88 C87 H87A 109.7 . . ?
Cl88 C87 H87B 109.7 . . ?
Cl89 C87 Cl88 110.0(5) . . ?
Cl89 C87 H87A 109.7 . . ?
Cl89 C87 H87B 109.7 . . ?
H87A C87 H87B 108.2 . . ?
Cl91 C90 Cl92 104.9(6) . . ?
Cl91 C90 H90A 110.8 . . ?
Cl91 C90 H90B 110.8 . . ?
Cl92 C90 H90A 110.8 . . ?
Cl92 C90 H90B 110.8 . . ?
H90A C90 H90B 108.9 . . ?
F11 B10 F13 109.0(6) . . ?
F12 B10 F11 110.7(5) . . ?
F12 B10 F13 108.2(7) . . ?
F14 B10 F11 110.6(6) . . ?
F14 B10 F12 110.2(7) . . ?
F14 B10 F13 108.2(6) . . ?
F17 B15 F16 107.8(5) . . ?
F18 B15 F16 108.1(6) . . ?
F18 B15 F17 111.0(6) . . ?
F18 B15 F19 111.6(5) . . ?
F19 B15 F16 108.9(6) . . ?
F19 B15 F17 109.3(6) . . ?
F21 B20 F22 101.5(10) . . ?
F21 B20 F24 148.7(12) . . ?
F22 B20 F24 78.6(15) . . ?
F23 B20 F21 109(2) . . ?
F23 B20 F22 105.9(13) . . ?
F23 B20 F24 101.0(13) . . ?
F25 B20 F21 76.3(14) . . ?
F25 B20 F22 116.0(17) . . ?
F25 B20 F23 136.0(19) . . ?
F25 B20 F24 75.8(13) . . ?
F27 B26 F28 99.6(10) . . ?
F27 B26 F30 64.2(9) . . ?
F29 B26 F27 122.8(11) . . ?
F29 B26 F28 97.2(11) . . ?
F29 B26 F30 71.8(10) . . ?
F29 B26 F31 117.9(13) . . ?
F31 B26 F27 109.3(9) . . ?
F31 B26 F28 105.7(11) . . ?
F31 B26 F30 107.6(11) . . ?

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
B26 F27 F30_b F29 -24.9(8) . . . . ?
Ag1 N1 N2 Ag3 -0.6(4) . . . . ?
Ag1 N1 N2 C3 170.1(3) . . . . ?
Ag1 N1 C10 C8 -166.3(4) . . . . ?
Ag1 N1 C10 C18 13.4(5) . . . . ?
Ag1 N17 C18 C10 11.7(6) . . . . ?
Ag1 N17 C18 C19 -166.6(5) . . . . ?
Ag1 N17 C22 C21 166.0(5) . . . . ?
Ag1 N24 C25 C26 156.0(4) . . . . ?
Ag1 N24 C25 C33 -22.6(5) . . . . ?
Ag1 N32 C33 C25 -14.1(5) . . . . ?
Ag1 N32 C33 C34 164.2(4) . . . . ?
Ag1 N32 C37 C36 -162.1(4) . . . . ?
Ag2 N23 N24 Ag1 -4.0(4) . . . . ?
Ag2 N23 N24 C25 154.8(3) . . . . ?
Ag2 N23 C31 C30 -153.7(4) . . . . ?
Ag2 N23 C31 C39 23.9(5) . . . . ?
Ag2 N38 C39 C31 8.1(6) . . . . ?
Ag2 N38 C39 C40 -169.0(5) . . . . ?
Ag2 N38 C43 C42 170.0(6) . . . . ?
Ag3 N2 C3 C4 166.2(4) . . . . ?
Ag3 N2 C3 C12 -12.3(5) . . . . ?
Ag3 N11 C12 C3 -18.0(6) . . . . ?
Ag3 N11 C12 C13 161.8(4) . . . . ?
Ag3 N11 C16 C15 -162.0(4) . . . . ?
Ag4 N45 C46 C47 -153.1(4) . . . . ?
Ag4 N45 C46 C55 25.5(5) . . . . ?
Ag4 N54 C55 C46 2.0(6) . . . . ?
Ag4 N54 C55 C56 -174.9(4) . . . . ?
Ag4 N54 C59 C58 177.3(6) . . . . ?
Ag5 N45 C46 C47 -156.8(3) . . . . ?
Ag5 N45 C46 C55 21.9(6) . . . . ?
Ag5 N54 C55 C46 10.0(6) . . . . ?
Ag5 N54 C55 C56 -166.9(4) . . . . ?
Ag5 N54 C59 C58 167.9(6) . . . . ?
Ag6 N44 N45 Ag4 2.4(5) . . . . ?
Ag6 N44 N45 Ag5 11.0(4) . . . . ?
Ag6 N44 N45 C46 -151.8(4) . . . . ?
Ag6 N44 C53 C52 143.2(4) . . . . ?
Ag6 N44 C53 C61 -34.0(6) . . . . ?
Ag6 N60 C61 C53 -4.0(6) . . . . ?
Ag6 N60 C61 C62 173.7(6) . . . . ?
Ag6 N60 C65 C64 -176.3(7) . . . . ?
Ag6 N66 N67 Ag8 2.2(6) . . . . ?
Ag6 N66 N67 Ag9 -13.0(7) . . . . ?
Ag6 N66 N67 C68 -165.3(4) . . . . ?
Ag6 N66 C74 C73 161.8(4) . . . . ?
Ag6 N66 C74 C82 -17.1(6) . . . . ?
Ag6 N81 C82 C74 -21.8(7) . . . . ?
Ag6 N81 C82 C83 155.5(5) . . . . ?
Ag6 N81 C86 C85 -155.5(7) . . . . ?
Ag7 N44 N45 Ag4 -8.0(6) . . . . ?
Ag7 N44 N45 Ag5 0.6(5) . . . . ?
Ag7 N44 N45 C46 -162.3(4) . . . . ?
Ag7 N44 C53 C52 159.6(4) . . . . ?
Ag7 N44 C53 C61 -17.6(6) . . . . ?
Ag7 N60 C61 C53 -16.1(7) . . . . ?
Ag7 N60 C61 C62 161.6(6) . . . . ?
Ag7 N60 C65 C64 -163.8(8) . . . . ?
Ag7 N66 N67 Ag8 10.3(4) . . . . ?
Ag7 N66 N67 Ag9 -4.8(5) . . . . ?
Ag7 N66 N67 C68 -157.1(4) . . . . ?
Ag7 N66 C74 C73 148.3(4) . . . . ?
Ag7 N66 C74 C82 -30.6(7) . . . . ?
Ag7 N81 C82 C74 -11.5(6) . . . . ?
Ag7 N81 C82 C83 165.9(5) . . . . ?
Ag7 N81 C86 C85 -165.5(6) . . . . ?
Ag8 N67 C68 C69 -158.7(4) . . . . ?
Ag8 N67 C68 C76 17.6(7) . . . . ?
Ag8 N75 C76 C68 18.7(6) . . . . ?
Ag8 N75 C76 C77 -158.9(5) . . . . ?
Ag8 N75 C80 C79 157.2(7) . . . . ?
Ag9 N67 C68 C69 -150.7(4) . . . . ?
Ag9 N67 C68 C76 25.6(6) . . . . ?
Ag9 N75 C76 C68 7.0(8) . . . . ?
Ag9 N75 C76 C77 -170.6(5) . . . . ?
Ag9 N75 C80 C79 174.5(7) . . . . ?
F21 F25 B20 F22 96.2(13) . . . . ?
F21 F25 B20 F23 -103(4) . . . . ?
F21 F25 B20 F24 165.7(15) . . . . ?
F25 F21 B20 F22 -114.2(16) . . . . ?
F25 F21 B20 F23 134(2) . . . . ?
F25 F21 B20 F24 -27(3) . . . . ?
F27 F30 B26 F28 -67(2) . . . . ?
F27 F30 B26 F29 -142.3(13) . . . . ?
F27 F30 B26 F31 103.4(10) . . . . ?
F29 F30 B26 F27 142.3(13) . . . . ?
F29 F30 B26 F28 75(2) . . . . ?
F29 F30 B26 F31 -114.4(14) . . . . ?
F30 F27 B26 F28 148.8(11) . . . . ?
F30 F27 B26 F29 43.8(15) . . . . ?
F30 F27 B26 F31 -100.8(12) . . . . ?
F30 F29 B26 F27 -41.0(14) . . . . ?
F30 F29 B26 F28 -147.2(12) . . . . ?
F30 F29 B26 F31 100.8(13) . . . . ?
N1 N2 C3 C4 -4.4(7) . . . . ?
N1 N2 C3 C12 177.0(4) . . . . ?
N1 C10 C18 N17 -16.4(6) . . . . ?
N1 C10 C18 C19 161.9(5) . . . . ?
N2 N1 C10 C8 3.9(7) . . . . ?
N2 N1 C10 C18 -176.4(4) . . . . ?
N2 C3 C4 C5 -174.6(6) . . . . ?
N2 C3 C4 C8 4.6(8) . . . . ?
N2 C3 C12 N11 20.0(6) . . . . ?
N2 C3 C12 C13 -159.8(5) . . . . ?
N11 C12 C13 C14 1.5(9) . . . . ?
N17 C18 C19 C20 -1.1(10) . . . . ?
N23 N24 C25 C26 -2.6(6) . . . . ?
N23 N24 C25 C33 178.9(4) . . . . ?
N23 C31 C39 N38 -21.9(7) . . . . ?
N23 C31 C39 C40 155.2(5) . . . . ?
N24 N23 C31 C30 3.5(7) . . . . ?
N24 N23 C31 C39 -178.9(4) . . . . ?
N24 C25 C26 C27 -170.6(5) . . . . ?
N24 C25 C26 C30 3.3(7) . . . . ?
N24 C25 C33 N32 24.3(6) . . . . ?
N24 C25 C33 C34 -154.0(5) . . . . ?
N32 C33 C34 C35 0.3(8) . . . . ?
N38 C39 C40 C41 -2.0(10) . . . . ?
N44 N45 C46 C47 3.9(7) . . . . ?
N44 N45 C46 C55 -177.5(4) . . . . ?
N44 C53 C61 N60 22.5(7) . . . . ?
N44 C53 C61 C62 -155.1(7) . . . . ?
N45 N44 C53 C52 -3.8(8) . . . . ?
N45 N44 C53 C61 179.0(5) . . . . ?
N45 C46 C47 C48 172.8(5) . . . . ?
N45 C46 C47 C52 -2.9(7) . . . . ?
N45 C46 C55 N54 -19.9(6) . . . . ?
N45 C46 C55 C56 157.0(5) . . . . ?
N54 C55 C56 C57 -3.4(9) . . . . ?
N60 C61 C62 C63 2.5(12) . . . . ?
N66 N67 C68 C69 6.4(8) . . . . ?
N66 N67 C68 C76 -177.3(5) . . . . ?
N66 C74 C82 N81 26.4(7) . . . . ?
N66 C74 C82 C83 -151.0(6) . . . . ?
N67 N66 C74 C73 -4.3(9) . . . . ?
N67 N66 C74 C82 176.8(5) . . . . ?
N67 C68 C69 C70 169.1(6) . . . . ?
N67 C68 C69 C73 -5.3(8) . . . . ?
N67 C68 C76 N75 -24.5(7) . . . . ?
N67 C68 C76 C77 153.2(6) . . . . ?
N75 C76 C77 C78 -3.0(10) . . . . ?
N81 C82 C83 C84 2.1(10) . . . . ?
C3 C4 C5 C6 162.3(6) . . . . ?
C3 C4 C8 C7 -179.3(5) . . . . ?
C3 C4 C8 C10 -0.7(8) . . . . ?
C3 C12 C13 C14 -178.7(6) . . . . ?
C4 C3 C12 N11 -158.4(5) . . . . ?
C4 C3 C12 C13 21.7(8) . . . . ?
C4 C5 C6 C7 26.5(7) . . . . ?
C4 C8 C10 N1 -3.5(8) . . . . ?
C4 C8 C10 C18 176.8(5) . . . . ?
C5 C4 C8 C7 0.0(7) . . . . ?
C5 C4 C8 C10 178.6(5) . . . . ?
C5 C6 C7 C8 -26.7(6) . . . . ?
C6 C7 C8 C4 16.7(6) . . . . ?
C6 C7 C8 C10 -161.7(6) . . . . ?
C7 C8 C10 N1 174.8(5) . . . . ?
C7 C8 C10 C18 -4.8(9) . . . . ?
C8 C4 C5 C6 -16.9(7) . . . . ?
C8 C10 C18 N17 163.3(5) . . . . ?
C8 C10 C18 C19 -18.5(9) . . . . ?
C10 N1 N2 Ag3 -170.6(3) . . . . ?
C10 N1 N2 C3 0.2(7) . . . . ?
C10 C18 C19 C20 -179.3(6) . . . . ?
C12 N11 C16 C15 0.9(8) . . . . ?
C12 C3 C4 C5 3.8(9) . . . . ?
C12 C3 C4 C8 -177.1(5) . . . . ?
C12 C13 C14 C15 0.5(10) . . . . ?
C13 C14 C15 C16 -1.6(10) . . . . ?
C14 C15 C16 N11 0.9(9) . . . . ?
C16 N11 C12 C3 178.0(4) . . . . ?
C16 N11 C12 C13 -2.1(8) . . . . ?
C18 N17 C22 C21 -1.3(9) . . . . ?
C18 C19 C20 C21 1.5(11) . . . . ?
C19 C20 C21 C22 -1.8(12) . . . . ?
C20 C21 C22 N17 1.7(11) . . . . ?
C22 N17 C18 C10 179.3(5) . . . . ?
C22 N17 C18 C19 1.0(8) . . . . ?
C25 C26 C27 C28 159.0(5) . . . . ?
C25 C26 C30 C29 -176.4(4) . . . . ?
C25 C26 C30 C31 -0.7(7) . . . . ?
C25 C33 C34 C35 178.6(5) . . . . ?
C26 C25 C33 N32 -154.2(5) . . . . ?
C26 C25 C33 C34 27.5(7) . . . . ?
C26 C27 C28 C29 25.1(6) . . . . ?
C26 C30 C31 N23 -2.7(7) . . . . ?
C26 C30 C31 C39 180.0(5) . . . . ?
C27 C26 C30 C29 -1.3(6) . . . . ?
C27 C26 C30 C31 174.4(4) . . . . ?
C27 C28 C29 C30 -25.7(6) . . . . ?
C28 C29 C30 C26 16.9(6) . . . . ?
C28 C29 C30 C31 -158.1(5) . . . . ?
C29 C30 C31 N23 172.0(5) . . . . ?
C29 C30 C31 C39 -5.4(8) . . . . ?
C30 C26 C27 C28 -15.3(6) . . . . ?
C30 C31 C39 N38 155.6(5) . . . . ?
C30 C31 C39 C40 -27.3(8) . . . . ?
C31 N23 N24 Ag1 -159.7(3) . . . . ?
C31 N23 N24 C25 -0.9(6) . . . . ?
C31 C39 C40 C41 -179.0(6) . . . . ?
C33 N32 C37 C36 0.0(8) . . . . ?
C33 C25 C26 C27 7.8(8) . . . . ?
C33 C25 C26 C30 -178.3(4) . . . . ?
C33 C34 C35 C36 -0.8(9) . . . . ?
C34 C35 C36 C37 0.8(10) . . . . ?
C35 C36 C37 N32 -0.4(9) . . . . ?
C37 N32 C33 C25 -178.2(4) . . . . ?
C37 N32 C33 C34 0.1(7) . . . . ?
C39 N38 C43 C42 -0.9(11) . . . . ?
C39 C40 C41 C42 0.5(11) . . . . ?
C40 C41 C42 C43 0.7(13) . . . . ?
C41 C42 C43 N38 -0.5(13) . . . . ?
C43 N38 C39 C31 179.3(6) . . . . ?
C43 N38 C39 C40 2.2(9) . . . . ?
C46 C47 C48 C50 -157.5(5) . . . . ?
C46 C47 C52 C51 175.1(4) . . . . ?
C46 C47 C52 C53 -1.2(7) . . . . ?
C46 C55 C56 C57 179.9(6) . . . . ?
C47 C46 C55 N54 158.7(5) . . . . ?
C47 C46 C55 C56 -24.4(8) . . . . ?
C47 C48 C50 C51 -27.7(6) . . . . ?
C47 C52 C53 N44 4.5(7) . . . . ?
C47 C52 C53 C61 -178.5(5) . . . . ?
C48 C47 C52 C51 -1.4(6) . . . . ?
C48 C47 C52 C53 -177.7(5) . . . . ?
C48 C50 C51 C52 27.1(6) . . . . ?
C50 C51 C52 C47 -16.1(6) . . . . ?
C50 C51 C52 C53 159.5(6) . . . . ?
C51 C52 C53 N44 -170.8(5) . . . . ?
C51 C52 C53 C61 6.1(9) . . . . ?
C52 C47 C48 C50 18.5(6) . . . . ?
C52 C53 C61 N60 -154.6(5) . . . . ?
C52 C53 C61 C62 27.8(9) . . . . ?
C53 N44 N45 Ag4 153.7(4) . . . . ?
C53 N44 N45 Ag5 162.3(4) . . . . ?
C53 N44 N45 C46 -0.5(7) . . . . ?
C53 C61 C62 C63 -179.9(8) . . . . ?
C55 N54 C59 C58 -0.6(10) . . . . ?
C55 C46 C47 C48 -5.7(8) . . . . ?
C55 C46 C47 C52 178.6(4) . . . . ?
C55 C56 C57 C58 1.5(10) . . . . ?
C56 C57 C58 C59 0.7(11) . . . . ?
C57 C58 C59 N54 -1.3(12) . . . . ?
C59 N54 C55 C46 179.9(5) . . . . ?
C59 N54 C55 C56 3.0(8) . . . . ?
C61 N60 C65 C64 -1.6(12) . . . . ?
C61 C62 C63 C64 0.2(16) . . . . ?
C62 C63 C64 C65 -3.4(18) . . . . ?
C63 C64 C65 N60 4.2(16) . . . . ?
C65 N60 C61 C53 -179.6(5) . . . . ?
C65 N60 C61 C62 -1.9(9) . . . . ?
C68 C69 C70 C71 -154.6(6) . . . . ?
C68 C69 C73 C72 175.1(5) . . . . ?
C68 C69 C73 C74 -0.3(8) . . . . ?
C68 C76 C77 C78 179.5(6) . . . . ?
C69 C68 C76 N75 151.7(6) . . . . ?
C69 C68 C76 C77 -30.7(9) . . . . ?
C69 C70 C71 C72 -31.0(6) . . . . ?
C69 C73 C74 N66 5.0(8) . . . . ?
C69 C73 C74 C82 -176.2(5) . . . . ?
C70 C69 C73 C72 -0.4(7) . . . . ?
C70 C69 C73 C74 -175.8(5) . . . . ?
C70 C71 C72 C73 30.7(6) . . . . ?
C71 C72 C73 C69 -19.4(7) . . . . ?
C71 C72 C73 C74 155.3(6) . . . . ?
C72 C73 C74 N66 -169.3(6) . . . . ?
C72 C73 C74 C82 9.5(10) . . . . ?
C73 C69 C70 C71 20.2(7) . . . . ?
C73 C74 C82 N81 -152.4(6) . . . . ?
C73 C74 C82 C83 30.2(9) . . . . ?
C74 N66 N67 Ag8 165.9(4) . . . . ?
C74 N66 N67 Ag9 150.7(4) . . . . ?
C74 N66 N67 C68 -1.5(8) . . . . ?
C74 C82 C83 C84 179.3(6) . . . . ?
C76 N75 C80 C79 0.9(12) . . . . ?
C76 C68 C69 C70 -6.8(10) . . . . ?
C76 C68 C69 C73 178.7(5) . . . . ?
C76 C77 C78 C79 0.4(11) . . . . ?
C77 C78 C79 C80 2.6(13) . . . . ?
C78 C79 C80 N75 -3.4(14) . . . . ?
C80 N75 C76 C68 180.0(6) . . . . ?
C80 N75 C76 C77 2.4(9) . . . . ?
C82 N81 C86 C85 0.5(11) . . . . ?
C82 C83 C84 C85 -0.5(10) . . . . ?
C83 C84 C85 C86 -1.0(11) . . . . ?
C84 C85 C86 N81 1.0(13) . . . . ?
C86 N81 C82 C74 -179.4(5) . . . . ?
C86 N81 C82 C83 -2.1(9) . . . . ?
B26 F29 F30 F27 28.3(10) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 1023451'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_7
_audit_creation_date             2014-05-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C34 H28 Ag N8, B F4'
_chemical_formula_sum            'C34 H28 Ag B F4 N8'
_chemical_formula_weight         743.32
_chemical_melting_point          ?
_chemical_oxdiff_formula         C31H48O3P2CL3RH1
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'
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                   7.72940(14)
_cell_length_b                   13.2469(2)
_cell_length_c                   15.3754(3)
_cell_angle_alpha                78.2170(15)
_cell_angle_beta                 81.8669(14)
_cell_angle_gamma                77.2006(15)
_cell_volume                     1495.17(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    36391
_cell_measurement_temperature    120.02(10)
_cell_measurement_theta_max      37.2780
_cell_measurement_theta_min      3.1480
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            65436
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         37.693
_diffrn_reflns_theta_min         2.716
_diffrn_ambient_temperature      120.02(10)
_diffrn_detector_area_resol_mean 5.3250
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0285231000
_diffrn_orient_matrix_UB_12      -0.0491696000
_diffrn_orient_matrix_UB_13      -0.0143769000
_diffrn_orient_matrix_UB_21      0.0843523000
_diffrn_orient_matrix_UB_22      0.0128992000
_diffrn_orient_matrix_UB_23      -0.0163958000
_diffrn_orient_matrix_UB_31      0.0319026000
_diffrn_orient_matrix_UB_32      -0.0230403000
_diffrn_orient_matrix_UB_33      0.0420481000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13643
_reflns_number_total             15329
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     36.23
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         1.064
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         15329
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0280
_refine_ls_restrained_S_all      1.073
_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)+(0.0322P)²+0.5612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0742
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C25(H25A,H25B), C26(H26A,H26B),
 C27(H27A,H27B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19), C20(H20),
 C21(H21), C33(H33), C34(H34), C35(H35), C36(H36), C39(H39), C40(H40), C41(H41),
  C42(H42)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.08102(2) 0.56240(2) 0.04830(2) 0.01889(2) Uani 1 1 d . . . . .
F11 F 0.09675(12) 0.85173(8) 0.26176(8) 0.0444(2) Uani 1 1 d . . . . .
F12 F 0.16041(15) 1.01346(8) 0.24860(11) 0.0656(4) Uani 1 1 d . . . . .
F13 F 0.30393(14) 0.90531(11) 0.15176(7) 0.0544(3) Uani 1 1 d . . . . .
F14 F 0.36507(12) 0.86590(10) 0.29512(6) 0.0440(2) Uani 1 1 d . . . . .
N1 N 0.28388(11) 0.55998(6) -0.07461(6) 0.01467(13) Uani 1 1 d . . . . .
N9 N 0.28535(12) 0.65133(7) -0.13018(6) 0.01561(13) Uani 1 1 d . . . . .
N10 N 0.21893(12) 0.37721(7) 0.03120(6) 0.01914(15) Uani 1 1 d . . . . .
N16 N 0.52656(13) 0.77343(7) -0.32408(7) 0.02242(17) Uani 1 1 d . . . . .
N22 N -0.05178(11) 0.55636(6) 0.19126(5) 0.01356(12) Uani 1 1 d . . . . .
N30 N -0.05172(11) 0.46339(6) 0.24492(5) 0.01443(13) Uani 1 1 d . . . . .
N31 N 0.00763(12) 0.74329(7) 0.08376(6) 0.01712(14) Uani 1 1 d . . . . .
N37 N -0.23930(13) 0.34720(8) 0.45693(6) 0.02133(16) Uani 1 1 d . . . . .
C2 C 0.38535(12) 0.46879(7) -0.09344(6) 0.01285(13) Uani 1 1 d . . . . .
C3 C 0.49232(12) 0.46756(7) -0.17501(6) 0.01307(13) Uani 1 1 d . . . . .
C4 C 0.60981(13) 0.37739(8) -0.21463(7) 0.01638(15) Uani 1 1 d . . . . .
H4A H 0.5504 0.3184 -0.2066 0.020 Uiso 1 1 calc R . . . .
H4B H 0.7215 0.3541 -0.1878 0.020 Uiso 1 1 calc R . . . .
C5 C 0.64078(14) 0.42546(8) -0.31428(7) 0.01887(17) Uani 1 1 d . . . . .
H5A H 0.5571 0.4090 -0.3482 0.023 Uiso 1 1 calc R . . . .
H5B H 0.7610 0.3982 -0.3385 0.023 Uiso 1 1 calc R . . . .
C6 C 0.61151(14) 0.54563(8) -0.31852(7) 0.01773(16) Uani 1 1 d . . . . .
H6A H 0.7238 0.5676 -0.3202 0.021 Uiso 1 1 calc R . . . .
H6B H 0.5524 0.5839 -0.3705 0.021 Uiso 1 1 calc R . . . .
C7 C 0.49477(12) 0.56260(7) -0.23363(6) 0.01353(14) Uani 1 1 d . . . . .
C8 C 0.39072(12) 0.65520(7) -0.20797(6) 0.01382(14) Uani 1 1 d . . . . .
C11 C 0.37262(12) 0.37398(7) -0.02316(6) 0.01365(14) Uani 1 1 d . . . . .
C12 C 0.51364(14) 0.28796(8) -0.01219(7) 0.01904(17) Uani 1 1 d . . . . .
H12 H 0.6187 0.2867 -0.0502 0.023 Uiso 1 1 calc R . . . .
C13 C 0.49407(16) 0.20372(8) 0.05709(8) 0.0232(2) Uani 1 1 d . . . . .
H13 H 0.5864 0.1453 0.0653 0.028 Uiso 1 1 calc R . . . .
C14 C 0.33768(16) 0.20690(8) 0.11346(7) 0.02117(18) Uani 1 1 d . . . . .
H14 H 0.3229 0.1515 0.1601 0.025 Uiso 1 1 calc R . . . .
C15 C 0.20333(16) 0.29551(9) 0.09810(7) 0.02168(19) Uani 1 1 d . . . . .
H15 H 0.0977 0.2986 0.1358 0.026 Uiso 1 1 calc R . . . .
C17 C 0.38957(13) 0.76291(7) -0.26052(6) 0.01550(15) Uani 1 1 d . . . . .
C18 C 0.25652(14) 0.84837(8) -0.24168(7) 0.01906(17) Uani 1 1 d . . . . .
H18 H 0.1615 0.8382 -0.1987 0.023 Uiso 1 1 calc R . . . .
C19 C 0.26830(16) 0.94881(9) -0.28822(8) 0.0235(2) Uani 1 1 d . . . . .
H19 H 0.1824 1.0070 -0.2763 0.028 Uiso 1 1 calc R . . . .
C20 C 0.41128(17) 0.96050(9) -0.35299(9) 0.0264(2) Uani 1 1 d . . . . .
H20 H 0.4241 1.0266 -0.3848 0.032 Uiso 1 1 calc R . . . .
C21 C 0.53428(17) 0.87061(9) -0.36885(9) 0.0276(2) Uani 1 1 d . . . . .
H21 H 0.6278 0.8784 -0.4133 0.033 Uiso 1 1 calc R . . . .
C23 C -0.11678(12) 0.64795(7) 0.22065(6) 0.01232(13) Uani 1 1 d . . . . .
C24 C -0.17563(12) 0.64769(7) 0.31111(6) 0.01287(13) Uani 1 1 d . . . . .
C25 C -0.23856(14) 0.73740(8) 0.36205(7) 0.01734(16) Uani 1 1 d . . . . .
H25A H -0.3620 0.7702 0.3544 0.021 Uiso 1 1 calc R . . . .
H25B H -0.1653 0.7903 0.3435 0.021 Uiso 1 1 calc R . . . .
C26 C -0.21622(16) 0.68123(9) 0.45943(7) 0.02148(18) Uani 1 1 d . . . . .
H26A H -0.0993 0.6816 0.4753 0.026 Uiso 1 1 calc R . . . .
H26B H -0.3063 0.7155 0.5005 0.026 Uiso 1 1 calc R . . . .
C27 C -0.23859(14) 0.56768(8) 0.46225(6) 0.01790(16) Uani 1 1 d . . . . .
H27A H -0.1656 0.5179 0.5046 0.021 Uiso 1 1 calc R . . . .
H27B H -0.3621 0.5611 0.4779 0.021 Uiso 1 1 calc R . . . .
C28 C -0.17557(12) 0.55137(7) 0.36773(6) 0.01335(14) Uani 1 1 d . . . . .
C29 C -0.11716(12) 0.45924(7) 0.33124(6) 0.01344(14) Uani 1 1 d . . . . .
C32 C -0.12386(12) 0.74489(7) 0.15137(6) 0.01308(14) Uani 1 1 d . . . . .
C33 C -0.26844(14) 0.82854(8) 0.15439(7) 0.01781(16) Uani 1 1 d . . . . .
H33 H -0.3562 0.8279 0.2025 0.021 Uiso 1 1 calc R . . . .
C34 C -0.27833(16) 0.91348(8) 0.08335(8) 0.0232(2) Uani 1 1 d . . . . .
H34 H -0.3757 0.9693 0.0823 0.028 Uiso 1 1 calc R . . . .
C35 C -0.14221(17) 0.91405(8) 0.01453(8) 0.0229(2) Uani 1 1 d . . . . .
H35 H -0.1445 0.9707 -0.0327 0.028 Uiso 1 1 calc R . . . .
C36 C -0.00179(16) 0.82758(9) 0.01790(7) 0.02089(18) Uani 1 1 d . . . . .
H36 H 0.0906 0.8282 -0.0280 0.025 Uiso 1 1 calc R . . . .
C38 C -0.12097(13) 0.35208(7) 0.38359(6) 0.01540(15) Uani 1 1 d . . . . .
C39 C -0.00901(16) 0.26333(8) 0.35691(7) 0.02018(18) Uani 1 1 d . . . . .
H39 H 0.0721 0.2697 0.3063 0.024 Uiso 1 1 calc R . . . .
C40 C -0.02162(18) 0.16479(9) 0.40807(9) 0.0261(2) Uani 1 1 d . . . . .
H40 H 0.0490 0.1039 0.3912 0.031 Uiso 1 1 calc R . . . .
C41 C -0.14118(19) 0.15898(10) 0.48453(9) 0.0287(2) Uani 1 1 d . . . . .
H41 H -0.1507 0.0945 0.5205 0.034 Uiso 1 1 calc R . . . .
C42 C -0.24630(18) 0.25196(10) 0.50604(8) 0.0272(2) Uani 1 1 d . . . . .
H42 H -0.3259 0.2478 0.5574 0.033 Uiso 1 1 calc R . . . .
B10 B 0.22977(16) 0.91030(10) 0.23896(9) 0.0212(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 2.99253(17) 2_565 ?
Ag1 N1 2.2793(8) . ?
Ag1 N10 2.4998(10) . ?
Ag1 N22 2.2842(8) . ?
Ag1 N31 2.4909(9) . ?
F11 B10 1.3866(15) . ?
F12 B10 1.3829(16) . ?
F13 B10 1.3902(16) . ?
F14 B10 1.4002(16) . ?
N1 N9 1.3325(11) . ?
N1 C2 1.3480(12) . ?
N9 C8 1.3470(12) . ?
N10 C11 1.3500(13) . ?
N10 C15 1.3460(13) . ?
N16 C17 1.3463(13) . ?
N16 C21 1.3398(14) . ?
N22 N30 1.3349(11) . ?
N22 C23 1.3484(12) . ?
N30 C29 1.3466(12) . ?
N31 C32 1.3470(12) . ?
N31 C36 1.3419(13) . ?
N37 C38 1.3479(14) . ?
N37 C42 1.3395(14) . ?
C2 C3 1.4021(13) . ?
C2 C11 1.4918(13) . ?
C3 C4 1.5108(13) . ?
C3 C7 1.3929(13) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.5413(14) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.5465(15) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.5050(13) . ?
C7 C8 1.4064(13) . ?
C8 C17 1.4880(13) . ?
C11 C12 1.3922(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.3951(15) . ?
C13 H13 0.9300 . ?
C13 C14 1.3821(17) . ?
C14 H14 0.9300 . ?
C14 C15 1.3886(16) . ?
C15 H15 0.9300 . ?
C17 C18 1.3989(14) . ?
C18 H18 0.9300 . ?
C18 C19 1.3917(15) . ?
C19 H19 0.9300 . ?
C19 C20 1.3923(17) . ?
C20 H20 0.9300 . ?
C20 C21 1.3902(18) . ?
C21 H21 0.9300 . ?
C23 C24 1.4004(13) . ?
C23 C32 1.4877(12) . ?
C24 C25 1.5094(13) . ?
C24 C28 1.3900(13) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.5449(15) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.5429(15) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.5092(13) . ?
C28 C29 1.4043(13) . ?
C29 C38 1.4863(13) . ?
C32 C33 1.3916(14) . ?
C33 H33 0.9300 . ?
C33 C34 1.3958(15) . ?
C34 H34 0.9300 . ?
C34 C35 1.3828(18) . ?
C35 H35 0.9300 . ?
C35 C36 1.3905(17) . ?
C36 H36 0.9300 . ?
C38 C39 1.3946(15) . ?
C39 H39 0.9300 . ?
C39 C40 1.3955(15) . ?
C40 H40 0.9300 . ?
C40 C41 1.3889(19) . ?
C41 H41 0.9300 . ?
C41 C42 1.3906(19) . ?
C42 H42 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
N1 Ag1 Ag1 81.70(2) . 2_565 ?
N1 Ag1 N10 69.53(3) . . ?
N1 Ag1 N22 163.93(3) . . ?
N1 Ag1 N31 108.65(3) . . ?
N10 Ag1 Ag1 57.16(2) . 2_565 ?
N22 Ag1 Ag1 110.02(2) . 2_565 ?
N22 Ag1 N10 106.94(3) . . ?
N22 Ag1 N31 70.86(3) . . ?
N31 Ag1 Ag1 136.49(2) . 2_565 ?
N31 Ag1 N10 166.34(3) . . ?
N9 N1 Ag1 116.60(6) . . ?
N9 N1 C2 122.09(8) . . ?
C2 N1 Ag1 121.05(6) . . ?
N1 N9 C8 120.35(8) . . ?
C11 N10 Ag1 110.58(6) . . ?
C15 N10 Ag1 121.70(7) . . ?
C15 N10 C11 118.87(9) . . ?
C21 N16 C17 117.44(10) . . ?
N30 N22 Ag1 119.58(6) . . ?
N30 N22 C23 121.94(8) . . ?
C23 N22 Ag1 118.30(6) . . ?
N22 N30 C29 119.99(8) . . ?
C32 N31 Ag1 107.36(6) . . ?
C36 N31 Ag1 120.38(7) . . ?
C36 N31 C32 117.66(9) . . ?
C42 N37 C38 117.44(10) . . ?
N1 C2 C3 119.99(8) . . ?
N1 C2 C11 115.53(8) . . ?
C3 C2 C11 124.48(8) . . ?
C2 C3 C4 130.93(8) . . ?
C7 C3 C2 118.37(8) . . ?
C7 C3 C4 110.69(8) . . ?
C3 C4 H4A 111.1 . . ?
C3 C4 H4B 111.1 . . ?
C3 C4 C5 103.20(8) . . ?
H4A C4 H4B 109.1 . . ?
C5 C4 H4A 111.1 . . ?
C5 C4 H4B 111.1 . . ?
C4 C5 H5A 110.6 . . ?
C4 C5 H5B 110.6 . . ?
C4 C5 C6 105.88(8) . . ?
H5A C5 H5B 108.7 . . ?
C6 C5 H5A 110.6 . . ?
C6 C5 H5B 110.6 . . ?
C5 C6 H6A 111.1 . . ?
C5 C6 H6B 111.1 . . ?
H6A C6 H6B 109.1 . . ?
C7 C6 C5 103.29(8) . . ?
C7 C6 H6A 111.1 . . ?
C7 C6 H6B 111.1 . . ?
C3 C7 C6 110.92(8) . . ?
C3 C7 C8 118.46(8) . . ?
C8 C7 C6 130.60(8) . . ?
N9 C8 C7 120.65(8) . . ?
N9 C8 C17 114.81(8) . . ?
C7 C8 C17 124.52(8) . . ?
N10 C11 C2 116.47(8) . . ?
N10 C11 C12 121.60(9) . . ?
C12 C11 C2 121.89(9) . . ?
C11 C12 H12 120.7 . . ?
C11 C12 C13 118.59(10) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.12(10) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 121.1 . . ?
C13 C14 C15 117.79(9) . . ?
C15 C14 H14 121.1 . . ?
N10 C15 C14 123.03(10) . . ?
N10 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
N16 C17 C8 116.25(9) . . ?
N16 C17 C18 122.52(9) . . ?
C18 C17 C8 121.19(9) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 C17 119.08(10) . . ?
C19 C18 H18 120.5 . . ?
C18 C19 H19 120.7 . . ?
C18 C19 C20 118.68(10) . . ?
C20 C19 H19 120.7 . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.13(10) . . ?
C21 C20 H20 120.9 . . ?
N16 C21 C20 124.10(11) . . ?
N16 C21 H21 117.9 . . ?
C20 C21 H21 117.9 . . ?
N22 C23 C24 120.11(8) . . ?
N22 C23 C32 115.81(8) . . ?
C24 C23 C32 124.07(8) . . ?
C23 C24 C25 130.68(8) . . ?
C28 C24 C23 118.36(8) . . ?
C28 C24 C25 110.94(8) . . ?
C24 C25 H25A 111.3 . . ?
C24 C25 H25B 111.3 . . ?
C24 C25 C26 102.14(8) . . ?
H25A C25 H25B 109.2 . . ?
C26 C25 H25A 111.3 . . ?
C26 C25 H25B 111.3 . . ?
C25 C26 H26A 110.7 . . ?
C25 C26 H26B 110.7 . . ?
H26A C26 H26B 108.8 . . ?
C27 C26 C25 105.16(8) . . ?
C27 C26 H26A 110.7 . . ?
C27 C26 H26B 110.7 . . ?
C26 C27 H27A 111.3 . . ?
C26 C27 H27B 111.3 . . ?
H27A C27 H27B 109.2 . . ?
C28 C27 C26 102.56(8) . . ?
C28 C27 H27A 111.3 . . ?
C28 C27 H27B 111.3 . . ?
C24 C28 C27 110.28(8) . . ?
C24 C28 C29 118.33(8) . . ?
C29 C28 C27 131.38(8) . . ?
N30 C29 C28 121.01(8) . . ?
N30 C29 C38 115.57(8) . . ?
C28 C29 C38 123.42(8) . . ?
N31 C32 C23 116.71(8) . . ?
N31 C32 C33 122.86(9) . . ?
C33 C32 C23 120.24(8) . . ?
C32 C33 H33 120.9 . . ?
C32 C33 C34 118.27(10) . . ?
C34 C33 H33 120.9 . . ?
C33 C34 H34 120.3 . . ?
C35 C34 C33 119.48(10) . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 120.9 . . ?
C34 C35 C36 118.12(9) . . ?
C36 C35 H35 120.9 . . ?
N31 C36 C35 123.54(10) . . ?
N31 C36 H36 118.2 . . ?
C35 C36 H36 118.2 . . ?
N37 C38 C29 115.67(9) . . ?
N37 C38 C39 123.10(9) . . ?
C39 C38 C29 121.23(9) . . ?
C38 C39 H39 120.8 . . ?
C38 C39 C40 118.38(11) . . ?
C40 C39 H39 120.8 . . ?
C39 C40 H40 120.5 . . ?
C41 C40 C39 118.99(11) . . ?
C41 C40 H40 120.5 . . ?
C40 C41 H41 120.8 . . ?
C40 C41 C42 118.40(10) . . ?
C42 C41 H41 120.8 . . ?
N37 C42 C41 123.66(11) . . ?
N37 C42 H42 118.2 . . ?
C41 C42 H42 118.2 . . ?
F11 B10 F13 110.03(13) . . ?
F11 B10 F14 108.45(10) . . ?
F12 B10 F11 109.81(10) . . ?
F12 B10 F13 110.63(12) . . ?
F12 B10 F14 110.26(13) . . ?
F13 B10 F14 107.59(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
Ag1 N1 N9 C8 -174.52(7) . . . . ?
Ag1 N1 C2 C3 171.79(7) . . . . ?
Ag1 N1 C2 C11 -7.78(11) . . . . ?
Ag1 N10 C11 C2 -29.28(10) . . . . ?
Ag1 N10 C11 C12 148.73(8) . . . . ?
Ag1 N10 C15 C14 -145.09(9) . . . . ?
Ag1 N22 N30 C29 174.80(7) . . . . ?
Ag1 N22 C23 C24 -170.75(7) . . . . ?
Ag1 N22 C23 C32 10.46(11) . . . . ?
Ag1 N31 C32 C23 36.59(9) . . . . ?
Ag1 N31 C32 C33 -138.36(8) . . . . ?
Ag1 N31 C36 C35 132.01(10) . . . . ?
N1 N9 C8 C7 2.81(14) . . . . ?
N1 N9 C8 C17 -175.70(8) . . . . ?
N1 C2 C3 C4 -176.56(9) . . . . ?
N1 C2 C3 C7 2.08(13) . . . . ?
N1 C2 C11 N10 26.37(12) . . . . ?
N1 C2 C11 C12 -151.65(10) . . . . ?
N9 N1 C2 C3 -2.21(14) . . . . ?
N9 N1 C2 C11 178.22(8) . . . . ?
N9 C8 C17 N16 161.86(9) . . . . ?
N9 C8 C17 C18 -15.66(14) . . . . ?
N10 C11 C12 C13 -0.19(16) . . . . ?
N16 C17 C18 C19 -2.07(17) . . . . ?
N22 N30 C29 C28 -4.13(14) . . . . ?
N22 N30 C29 C38 176.38(8) . . . . ?
N22 C23 C24 C25 174.22(9) . . . . ?
N22 C23 C24 C28 -3.99(13) . . . . ?
N22 C23 C32 N31 -34.31(12) . . . . ?
N22 C23 C32 C33 140.79(9) . . . . ?
N30 N22 C23 C24 4.41(14) . . . . ?
N30 N22 C23 C32 -174.37(8) . . . . ?
N30 C29 C38 N37 -157.10(9) . . . . ?
N30 C29 C38 C39 22.45(14) . . . . ?
N31 C32 C33 C34 1.07(15) . . . . ?
N37 C38 C39 C40 0.74(17) . . . . ?
C2 N1 N9 C8 -0.27(14) . . . . ?
C2 C3 C4 C5 163.22(10) . . . . ?
C2 C3 C7 C6 -178.12(8) . . . . ?
C2 C3 C7 C8 0.37(13) . . . . ?
C2 C11 C12 C13 177.73(10) . . . . ?
C3 C2 C11 N10 -153.18(9) . . . . ?
C3 C2 C11 C12 28.81(14) . . . . ?
C3 C4 C5 C6 23.66(10) . . . . ?
C3 C7 C8 N9 -2.82(14) . . . . ?
C3 C7 C8 C17 175.55(9) . . . . ?
C4 C3 C7 C6 0.78(11) . . . . ?
C4 C3 C7 C8 179.27(8) . . . . ?
C4 C5 C6 C7 -23.27(10) . . . . ?
C5 C6 C7 C3 14.24(11) . . . . ?
C5 C6 C7 C8 -164.01(10) . . . . ?
C6 C7 C8 N9 175.33(10) . . . . ?
C6 C7 C8 C17 -6.30(16) . . . . ?
C7 C3 C4 C5 -15.50(10) . . . . ?
C7 C8 C17 N16 -16.59(15) . . . . ?
C7 C8 C17 C18 165.89(10) . . . . ?
C8 C17 C18 C19 175.29(10) . . . . ?
C11 N10 C15 C14 -0.77(17) . . . . ?
C11 C2 C3 C4 2.96(16) . . . . ?
C11 C2 C3 C7 -178.39(8) . . . . ?
C11 C12 C13 C14 -0.38(17) . . . . ?
C12 C13 C14 C15 0.36(17) . . . . ?
C13 C14 C15 N10 0.22(18) . . . . ?
C15 N10 C11 C2 -177.27(9) . . . . ?
C15 N10 C11 C12 0.75(15) . . . . ?
C17 N16 C21 C20 0.7(2) . . . . ?
C17 C18 C19 C20 0.91(18) . . . . ?
C18 C19 C20 C21 0.9(2) . . . . ?
C19 C20 C21 N16 -1.8(2) . . . . ?
C21 N16 C17 C8 -176.22(11) . . . . ?
C21 N16 C17 C18 1.26(17) . . . . ?
C23 N22 N30 C29 -0.30(14) . . . . ?
C23 C24 C25 C26 -160.29(10) . . . . ?
C23 C24 C28 C27 178.51(8) . . . . ?
C23 C24 C28 C29 -0.26(13) . . . . ?
C23 C32 C33 C34 -173.71(9) . . . . ?
C24 C23 C32 N31 146.96(9) . . . . ?
C24 C23 C32 C33 -37.95(14) . . . . ?
C24 C25 C26 C27 -28.40(11) . . . . ?
C24 C28 C29 N30 4.33(14) . . . . ?
C24 C28 C29 C38 -176.23(9) . . . . ?
C25 C24 C28 C27 -0.04(11) . . . . ?
C25 C24 C28 C29 -178.81(8) . . . . ?
C25 C26 C27 C28 28.51(11) . . . . ?
C26 C27 C28 C24 -18.02(11) . . . . ?
C26 C27 C28 C29 160.54(10) . . . . ?
C27 C28 C29 N30 -174.14(10) . . . . ?
C27 C28 C29 C38 5.31(16) . . . . ?
C28 C24 C25 C26 18.02(11) . . . . ?
C28 C29 C38 N37 23.43(14) . . . . ?
C28 C29 C38 C39 -157.02(10) . . . . ?
C29 C38 C39 C40 -178.78(10) . . . . ?
C32 N31 C36 C35 -2.24(16) . . . . ?
C32 C23 C24 C25 -7.10(16) . . . . ?
C32 C23 C24 C28 174.69(8) . . . . ?
C32 C33 C34 C35 -2.55(16) . . . . ?
C33 C34 C35 C36 1.70(17) . . . . ?
C34 C35 C36 N31 0.76(18) . . . . ?
C36 N31 C32 C23 176.24(9) . . . . ?
C36 N31 C32 C33 1.29(15) . . . . ?
C38 N37 C42 C41 -1.17(19) . . . . ?
C38 C39 C40 C41 -1.67(18) . . . . ?
C39 C40 C41 C42 1.2(2) . . . . ?
C40 C41 C42 N37 0.2(2) . . . . ?
C42 N37 C38 C29 -179.79(10) . . . . ?
C42 N37 C38 C39 0.67(16) . . . . ?



#===END





_database_code_depnum_ccdc_archive 'CCDC 1023452'
