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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_complex2
_database_code_depnum_ccdc_archive 'CCDC 1413539'
_audit_update_record             
;
2015-07-17 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H48 Ag2 F6 N4 O16 S2'
_chemical_formula_sum            'C60 H48 Ag2 F6 N4 O16 S2'
_chemical_formula_weight         1474.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   8.2252(16)
_cell_length_b                   14.362(3)
_cell_length_c                   24.711(5)
_cell_angle_alpha                96.20(3)
_cell_angle_beta                 96.65(3)
_cell_angle_gamma                104.58(3)
_cell_volume                     2777.4(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    60421
_cell_measurement_theta_min      1.48
_cell_measurement_theta_max      24.10

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_F_000             1488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.879
_shelx_estimated_absorpt_T_min   0.830
_shelx_estimated_absorpt_T_max   0.902
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44456
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.480
_diffrn_reflns_theta_max         23.584
_diffrn_reflns_theta_full        23.584
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8275
_reflns_number_gt                7530
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0715P)²+52.2093P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8275
_refine_ls_number_parameters     780
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0770
_refine_ls_wR_factor_ref         0.2101
_refine_ls_wR_factor_gt          0.2081
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9686(10) 0.7372(6) 0.2928(3) 0.0230(18) Uani 1 1 d . . . . .
H1 H 1.0160 0.7187 0.3255 0.028 Uiso 1 1 calc R U . . .
C2 C 0.7825(11) 0.6993(6) 0.2122(3) 0.0288(19) Uani 1 1 d . . . . .
H2 H 0.6963 0.6534 0.1869 0.035 Uiso 1 1 calc R U . . .
C3 C 0.8360(11) 0.7926(6) 0.2004(3) 0.0282(19) Uani 1 1 d . . . . .
H3 H 0.7868 0.8099 0.1675 0.034 Uiso 1 1 calc R U . . .
C4 C 0.9615(11) 0.8609(6) 0.2363(3) 0.0272(19) Uani 1 1 d . . . . .
H4 H 1.0001 0.9256 0.2288 0.033 Uiso 1 1 calc R U . . .
C5 C 1.0290(10) 0.8325(5) 0.2833(3) 0.0202(17) Uani 1 1 d . . . . .
C6 C 1.1647(11) 0.9052(6) 0.3230(3) 0.0249(18) Uani 1 1 d . . . . .
C7 C 1.3602(10) 0.9285(6) 0.4061(3) 0.0257(18) Uani 1 1 d . . . . .
H7A H 1.4313 0.9777 0.3874 0.031 Uiso 1 1 calc R U . . .
H7B H 1.4319 0.8881 0.4205 0.031 Uiso 1 1 calc R U . . .
C8 C 1.3023(10) 0.9802(6) 0.4541(3) 0.0202(17) Uani 1 1 d . . . . .
C9 C 1.3425(10) 1.0823(6) 0.4645(3) 0.0249(18) Uani 1 1 d . . . . .
C10 C 1.4237(11) 1.1438(6) 0.4280(4) 0.0281(19) Uani 1 1 d . . . . .
H10 H 1.4494 1.1148 0.3948 0.034 Uiso 1 1 calc R U . . .
C11 C 1.4649(12) 1.2420(7) 0.4396(4) 0.036(2) Uani 1 1 d . . . . .
H11 H 1.5162 1.2808 0.4141 0.043 Uiso 1 1 calc R U . . .
C12 C 1.4315(12) 1.2872(7) 0.4897(4) 0.038(2) Uani 1 1 d . . . . .
H12 H 1.4641 1.3561 0.4983 0.045 Uiso 1 1 calc R U . . .
C13 C 1.3533(11) 1.2322(6) 0.5252(4) 0.031(2) Uani 1 1 d . . . . .
H13 H 1.3307 1.2634 0.5583 0.037 Uiso 1 1 calc R U . . .
C14 C 1.3034(10) 1.1279(6) 0.5142(3) 0.0238(18) Uani 1 1 d . . . . .
C15 C 1.2190(10) 1.0721(6) 0.5505(3) 0.0221(17) Uani 1 1 d . . . . .
C16 C 1.1722(10) 0.9692(6) 0.5394(3) 0.0240(18) Uani 1 1 d . . . . .
C17 C 1.0832(11) 0.9071(6) 0.5738(3) 0.0275(19) Uani 1 1 d . . . . .
H17 H 1.0528 0.9352 0.6064 0.033 Uiso 1 1 calc R U . . .
C18 C 1.0411(11) 0.8088(6) 0.5612(4) 0.030(2) Uani 1 1 d . . . . .
H18 H 0.9801 0.7697 0.5847 0.036 Uiso 1 1 calc R U . . .
C19 C 1.0856(12) 0.7647(7) 0.5144(4) 0.032(2) Uani 1 1 d . . . . .
H19 H 1.0547 0.6958 0.5061 0.038 Uiso 1 1 calc R U . . .
C20 C 1.1739(11) 0.8200(6) 0.4802(4) 0.0280(19) Uani 1 1 d . . . . .
H20 H 1.2065 0.7888 0.4489 0.034 Uiso 1 1 calc R U . . .
C21 C 1.2180(10) 0.9232(6) 0.4904(3) 0.0219(17) Uani 1 1 d . . . . .
C22 C 1.1696(10) 1.1226(6) 0.6005(3) 0.0263(19) Uani 1 1 d . . . . .
H22A H 1.1082 1.1698 0.5887 0.032 Uiso 1 1 calc R U . . .
H22B H 1.0910 1.0738 0.6173 0.032 Uiso 1 1 calc R U . . .
C23 C 1.3632(10) 1.1225(6) 0.6810(3) 0.0238(18) Uani 1 1 d . . . . .
C24 C 1.4994(10) 1.1878(6) 0.7245(3) 0.0223(17) Uani 1 1 d . . . . .
C25 C 1.5584(11) 1.1465(6) 0.7684(3) 0.0271(19) Uani 1 1 d . . . . .
H25 H 1.5143 1.0794 0.7703 0.033 Uiso 1 1 calc R U . . .
C26 C 1.6826(11) 1.2050(6) 0.8093(3) 0.0288(19) Uani 1 1 d . . . . .
H26 H 1.7269 1.1784 0.8394 0.035 Uiso 1 1 calc R U . . .
C27 C 1.7407(11) 1.3019(6) 0.8055(3) 0.030(2) Uani 1 1 d . . . . .
H27 H 1.8251 1.3418 0.8339 0.036 Uiso 1 1 calc R U . . .
C28 C 1.5660(11) 1.2855(6) 0.7231(3) 0.0263(19) Uani 1 1 d . . . . .
H28 H 1.5269 1.3127 0.6924 0.032 Uiso 1 1 calc R U . . .
C29 C 1.9595(11) 1.7230(6) 0.7911(3) 0.0252(18) Uani 1 1 d . . . . .
H29 H 2.0052 1.7042 0.8239 0.030 Uiso 1 1 calc R U . . .
C30 C 1.7735(11) 1.6865(6) 0.7102(4) 0.0284(19) Uani 1 1 d . . . . .
H30 H 1.6848 1.6413 0.6853 0.034 Uiso 1 1 calc R U . . .
C31 C 1.8280(11) 1.7787(7) 0.6980(4) 0.031(2) Uani 1 1 d . . . . .
H31 H 1.7799 1.7961 0.6650 0.037 Uiso 1 1 calc R U . . .
C32 C 1.9541(11) 1.8463(6) 0.7343(3) 0.029(2) Uani 1 1 d . . . . .
H32 H 1.9944 1.9108 0.7266 0.035 Uiso 1 1 calc R U . . .
C33 C 2.0201(10) 1.8185(6) 0.7817(3) 0.0225(17) Uani 1 1 d . . . . .
C34 C 2.1574(11) 1.8902(6) 0.8211(3) 0.0254(19) Uani 1 1 d . . . . .
C35 C 2.3461(10) 1.9097(6) 0.9057(3) 0.0243(18) Uani 1 1 d . . . . .
H35A H 2.4233 1.9554 0.8867 0.029 Uiso 1 1 calc R U . . .
H35B H 2.4095 1.8656 0.9205 0.029 Uiso 1 1 calc R U . . .
C36 C 2.2968(10) 1.9667(6) 0.9530(3) 0.0235(18) Uani 1 1 d . . . . .
C37 C 2.3429(10) 2.0685(6) 0.9611(3) 0.0230(17) Uani 1 1 d . . . . .
C38 C 2.4231(11) 2.1262(6) 0.9226(4) 0.0279(19) Uani 1 1 d . . . . .
H38 H 2.4445 2.0944 0.8895 0.033 Uiso 1 1 calc R U . . .
C39 C 2.4689(12) 2.2245(7) 0.9322(4) 0.034(2) Uani 1 1 d . . . . .
H39 H 2.5204 2.2604 0.9057 0.041 Uiso 1 1 calc R U . . .
C40 C 2.4413(12) 2.2741(6) 0.9810(4) 0.034(2) Uani 1 1 d . . . . .
H40 H 2.4771 2.3431 0.9877 0.041 Uiso 1 1 calc R U . . .
C41 C 2.3632(11) 2.2234(6) 1.0188(4) 0.030(2) Uani 1 1 d . . . . .
H41 H 2.3451 2.2579 1.0516 0.036 Uiso 1 1 calc R U . . .
C42 C 2.3080(10) 2.1194(6) 1.0101(3) 0.0235(18) Uani 1 1 d . . . . .
C43 C 2.2233(10) 2.0682(6) 1.0481(3) 0.0217(17) Uani 1 1 d . . . . .
C44 C 2.1712(10) 1.9652(6) 1.0392(3) 0.0232(18) Uani 1 1 d . . . . .
C45 C 2.0815(10) 1.9081(7) 1.0756(3) 0.0279(19) Uani 1 1 d . . . . .
H45 H 2.0535 1.9399 1.1075 0.033 Uiso 1 1 calc R U . . .
C46 C 2.0346(11) 1.8089(6) 1.0657(4) 0.029(2) Uani 1 1 d . . . . .
H46 H 1.9726 1.7731 1.0904 0.035 Uiso 1 1 calc R U . . .
C47 C 2.0772(11) 1.7594(6) 1.0197(4) 0.030(2) Uani 1 1 d . . . . .
H47 H 2.0457 1.6904 1.0136 0.036 Uiso 1 1 calc R U . . .
C48 C 2.1640(11) 1.8107(6) 0.9836(4) 0.030(2) Uani 1 1 d . . . . .
H48 H 2.1931 1.7764 0.9528 0.036 Uiso 1 1 calc R U . . .
C49 C 2.2116(10) 1.9134(6) 0.9912(3) 0.0208(17) Uani 1 1 d . . . . .
C50 C 2.1763(10) 2.1243(6) 1.0967(3) 0.0253(18) Uani 1 1 d . . . . .
H50A H 2.1195 2.1722 1.0831 0.030 Uiso 1 1 calc R U . . .
H50B H 2.0939 2.0786 1.1141 0.030 Uiso 1 1 calc R U . . .
C51 C 2.3608(11) 2.1268(6) 1.1795(3) 0.0261(19) Uani 1 1 d . . . . .
C52 C 2.4961(10) 2.1921(6) 1.2235(3) 0.0215(17) Uani 1 1 d . . . . .
C53 C 2.5522(11) 2.1499(6) 1.2679(3) 0.0258(18) Uani 1 1 d . . . . .
H53 H 2.5075 2.0827 1.2699 0.031 Uiso 1 1 calc R U . . .
C54 C 2.6762(12) 2.2096(6) 1.3094(4) 0.030(2) Uani 1 1 d . . . . .
H54 H 2.7189 2.1836 1.3401 0.037 Uiso 1 1 calc R U . . .
C55 C 2.7349(11) 2.3059(6) 1.3050(3) 0.029(2) Uani 1 1 d . . . . .
H55 H 2.8205 2.3455 1.3332 0.035 Uiso 1 1 calc R U . . .
C56 C 2.5612(10) 2.2906(6) 1.2229(3) 0.0226(17) Uani 1 1 d . . . . .
H56 H 2.5207 2.3184 1.1926 0.027 Uiso 1 1 calc R U . . .
C57 C 1.8514(11) 1.5192(6) 0.5720(4) 0.032(2) Uani 1 1 d . . . . .
C58 C 0.6517(17) 0.5082(12) 0.4024(6) 0.081(3) Uani 1 1 d . . . . .
H58A H 0.7429 0.5680 0.4150 0.121 Uiso 1 1 calc R U . . .
H58B H 0.6997 0.4522 0.4009 0.121 Uiso 1 1 calc R U . . .
H58C H 0.5686 0.5013 0.4281 0.121 Uiso 1 1 calc R U . . .
C59 C 2.2145(13) 1.4858(7) 0.9258(5) 0.042(3) Uani 1 1 d . . . . .
C60 C 1.7545(16) 1.5503(12) 0.9117(6) 0.081(3) Uani 1 1 d . . . . .
H60A H 1.8782 1.5670 0.9132 0.121 Uiso 1 1 calc R U . . .
H60B H 1.7172 1.4912 0.9285 0.121 Uiso 1 1 calc R U . . .
H60C H 1.7225 1.6038 0.9320 0.121 Uiso 1 1 calc R U . . .
Ag1 Ag 0.76753(9) 0.51241(5) 0.26910(3) 0.0309(2) Uani 1 1 d . . . . .
Ag2 Ag 1.77529(9) 1.50179(5) 0.76619(3) 0.0325(2) Uani 1 1 d . . . . .
F1 F 1.7747(9) 1.5870(5) 0.5850(3) 0.0661(8) Uani 1 1 d . . . . .
F2 F 1.7794(9) 1.4722(5) 0.5228(3) 0.0661(8) Uani 1 1 d . . . . .
F3 F 2.0098(9) 1.5672(5) 0.5661(3) 0.0661(8) Uani 1 1 d . . . . .
F4 F 2.1726(9) 1.3909(5) 0.9117(3) 0.0661(8) Uani 1 1 d . . . . .
F5 F 2.3709(10) 1.5049(5) 0.9556(3) 0.0661(8) Uani 1 1 d . . . . .
F6 F 2.1192(9) 1.5082(5) 0.9612(3) 0.0661(8) Uani 1 1 d . . . . .
N1 N 0.8467(9) 0.6698(5) 0.2582(3) 0.0290(16) Uani 1 1 d . . . . .
N2 N 1.6828(9) 1.3438(5) 0.7627(3) 0.0300(17) Uani 1 1 d . . . . .
N3 N 1.8387(9) 1.6558(5) 0.7556(3) 0.0300(17) Uani 1 1 d . . . . .
N4 N 2.6781(9) 2.3487(5) 1.2626(3) 0.0275(16) Uani 1 1 d . . . . .
O1 O 1.2167(9) 0.9886(5) 0.3168(3) 0.0420(17) Uani 1 1 d . . . . .
O2 O 1.2201(7) 0.8665(4) 0.3657(2) 0.0244(12) Uani 1 1 d . . . . .
O3 O 1.3044(9) 1.0387(4) 0.6815(3) 0.0379(16) Uani 1 1 d . . . . .
O4 O 1.3163(7) 1.1738(4) 0.6420(2) 0.0242(12) Uani 1 1 d . . . . .
O5 O 2.2182(9) 1.9718(5) 0.8134(3) 0.0441(18) Uani 1 1 d . . . . .
O6 O 2.2021(7) 1.8524(4) 0.8657(2) 0.0249(13) Uani 1 1 d . . . . .
O7 O 2.2958(9) 2.0439(4) 1.1822(3) 0.0407(17) Uani 1 1 d . . . . .
O8 O 2.3217(7) 2.1755(4) 1.1384(2) 0.0233(12) Uani 1 1 d . . . . .
O9 O 1.9478(8) 1.5052(5) 0.6717(3) 0.0373(15) Uani 1 1 d . . . . .
O10 O 1.6801(9) 1.3991(6) 0.6258(3) 0.057(2) Uani 1 1 d . . . . .
O11 O 1.9446(11) 1.3736(5) 0.6023(3) 0.0503(19) Uani 1 1 d . . . . .
O12 O 0.5673(12) 0.5130(7) 0.3471(3) 0.066(2) Uani 1 1 d . . . . .
H12A H 0.4933 0.5435 0.3501 0.099 Uiso 1 1 calc R U . . .
O13 O 2.0532(9) 1.5061(6) 0.8355(3) 0.0513(19) Uani 1 1 d . . . . .
O14 O 2.3535(8) 1.5241(5) 0.8417(2) 0.0343(14) Uani 1 1 d . . . . .
O15 O 2.2522(12) 1.6490(5) 0.8901(3) 0.057(2) Uani 1 1 d . . . . .
O16 O 1.6870(15) 1.536(2) 0.8640(4) 0.215(12) Uani 1 1 d . . . . .
H16 H 1.5860 1.5029 0.8615 0.323 Uiso 1 1 calc R U . . .
S1 S 1.8548(3) 1.44031(16) 0.62389(9) 0.0320(5) Uani 1 1 d . . . . .
S3 S 2.2169(3) 1.55050(16) 0.86760(9) 0.0297(5) 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
C1 N1 1.344(11) . ?
C1 C5 1.388(11) . ?
C1 H1 0.9500 . ?
C2 N1 1.352(11) . ?
C2 C3 1.376(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.495(12) . ?
C6 O1 1.199(11) . ?
C6 O2 1.331(10) . ?
C7 O2 1.463(10) . ?
C7 C8 1.518(11) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C21 1.405(12) . ?
C8 C9 1.407(12) . ?
C9 C10 1.432(12) . ?
C9 C14 1.437(12) . ?
C10 C11 1.355(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.425(14) . ?
C11 H11 0.9500 . ?
C12 C13 1.352(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.436(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.396(12) . ?
C15 C16 1.417(12) . ?
C15 C22 1.514(11) . ?
C16 C17 1.427(12) . ?
C16 C21 1.450(12) . ?
C17 C18 1.357(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(13) . ?
C18 H18 0.9500 . ?
C19 C20 1.368(12) . ?
C19 H19 0.9500 . ?
C20 C21 1.420(12) . ?
C20 H20 0.9500 . ?
C22 O4 1.467(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 O3 1.182(10) . ?
C23 O4 1.353(10) . ?
C23 C24 1.504(12) . ?
C24 C28 1.378(12) . ?
C24 C25 1.387(12) . ?
C25 C26 1.384(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.371(13) . ?
C26 H26 0.9500 . ?
C27 N2 1.368(11) . ?
C27 H27 0.9500 . ?
C28 N2 1.336(11) . ?
C28 H28 0.9500 . ?
C29 N3 1.349(11) . ?
C29 C33 1.390(12) . ?
C29 H29 0.9500 . ?
C30 N3 1.352(12) . ?
C30 C31 1.365(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.383(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.376(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.492(12) . ?
C34 O5 1.199(11) . ?
C34 O6 1.332(10) . ?
C35 O6 1.456(10) . ?
C35 C36 1.507(11) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.399(12) . ?
C36 C49 1.418(12) . ?
C37 C38 1.438(12) . ?
C37 C42 1.442(12) . ?
C38 C39 1.354(13) . ?
C38 H38 0.9500 . ?
C39 C40 1.403(14) . ?
C39 H39 0.9500 . ?
C40 C41 1.366(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.431(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.398(12) . ?
C43 C44 1.417(12) . ?
C43 C50 1.514(11) . ?
C44 C45 1.426(12) . ?
C44 C49 1.448(12) . ?
C45 C46 1.365(12) . ?
C45 H45 0.9500 . ?
C46 C47 1.402(13) . ?
C46 H46 0.9500 . ?
C47 C48 1.368(13) . ?
C47 H47 0.9500 . ?
C48 C49 1.414(12) . ?
C48 H48 0.9500 . ?
C50 O8 1.463(10) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 O7 1.189(11) . ?
C51 O8 1.347(10) . ?
C51 C52 1.508(12) . ?
C52 C56 1.384(11) . ?
C52 C53 1.397(12) . ?
C53 C54 1.397(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.366(13) . ?
C54 H54 0.9500 . ?
C55 N4 1.365(11) . ?
C55 H55 0.9500 . ?
C56 N4 1.336(11) . ?
C56 H56 0.9500 . ?
C57 F2 1.318(11) . ?
C57 F1 1.319(11) . ?
C57 F3 1.344(11) . ?
C57 S1 1.804(10) . ?
C58 O12 1.476(16) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 F6 1.307(11) . ?
C59 F4 1.316(12) . ?
C59 F5 1.353(13) . ?
C59 S3 1.794(12) . ?
C60 O16 1.217(16) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
Ag1 N1 2.244(7) . ?
Ag1 N4 2.262(7) 1_334 ?
Ag2 N3 2.192(7) . ?
Ag2 N2 2.193(7) . ?
N4 Ag1 2.262(7) 1_776 ?
O9 S1 1.430(7) . ?
O10 S1 1.418(7) . ?
O11 S1 1.444(7) . ?
O12 H12A 0.8400 . ?
O13 S3 1.435(7) . ?
O14 S3 1.464(6) . ?
O15 S3 1.408(7) . ?
O16 H16 0.8400 . ?

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 C1 C5 123.7(7) . . ?
N1 C1 H1 118.1 . . ?
C5 C1 H1 118.1 . . ?
N1 C2 C3 123.2(8) . . ?
N1 C2 H2 118.4 . . ?
C3 C2 H2 118.4 . . ?
C2 C3 C4 119.8(8) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 118.1(8) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
C4 C5 C1 119.0(8) . . ?
C4 C5 C6 119.1(7) . . ?
C1 C5 C6 121.9(7) . . ?
O1 C6 O2 124.3(8) . . ?
O1 C6 C5 123.6(8) . . ?
O2 C6 C5 112.1(7) . . ?
O2 C7 C8 113.6(6) . . ?
O2 C7 H7A 108.8 . . ?
C8 C7 H7A 108.8 . . ?
O2 C7 H7B 108.8 . . ?
C8 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C21 C8 C9 120.7(7) . . ?
C21 C8 C7 117.8(7) . . ?
C9 C8 C7 121.3(7) . . ?
C8 C9 C10 123.0(8) . . ?
C8 C9 C14 119.1(8) . . ?
C10 C9 C14 118.0(8) . . ?
C11 C10 C9 121.9(9) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C10 C11 C12 120.2(9) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 120.0(9) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 121.9(9) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C15 C14 C9 120.7(8) . . ?
C15 C14 C13 121.3(8) . . ?
C9 C14 C13 118.0(8) . . ?
C14 C15 C16 120.6(8) . . ?
C14 C15 C22 119.2(7) . . ?
C16 C15 C22 120.1(8) . . ?
C15 C16 C17 124.1(8) . . ?
C15 C16 C21 118.7(7) . . ?
C17 C16 C21 117.3(8) . . ?
C18 C17 C16 121.7(8) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C17 C18 C19 121.1(8) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C20 C19 C18 120.2(8) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 121.4(8) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C8 C21 C20 121.6(8) . . ?
C8 C21 C16 120.1(7) . . ?
C20 C21 C16 118.3(8) . . ?
O4 C22 C15 112.8(6) . . ?
O4 C22 H22A 109.0 . . ?
C15 C22 H22A 109.0 . . ?
O4 C22 H22B 109.0 . . ?
C15 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
O3 C23 O4 125.2(8) . . ?
O3 C23 C24 124.4(8) . . ?
O4 C23 C24 110.4(7) . . ?
C28 C24 C25 119.0(8) . . ?
C28 C24 C23 123.5(7) . . ?
C25 C24 C23 117.5(7) . . ?
C26 C25 C24 118.8(8) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C27 C26 C25 118.8(8) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
N2 C27 C26 123.0(8) . . ?
N2 C27 H27 118.5 . . ?
C26 C27 H27 118.5 . . ?
N2 C28 C24 123.3(8) . . ?
N2 C28 H28 118.4 . . ?
C24 C28 H28 118.4 . . ?
N3 C29 C33 123.1(8) . . ?
N3 C29 H29 118.5 . . ?
C33 C29 H29 118.5 . . ?
N3 C30 C31 123.7(8) . . ?
N3 C30 H30 118.1 . . ?
C31 C30 H30 118.1 . . ?
C30 C31 C32 119.2(8) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C33 C32 C31 118.7(8) . . ?
C33 C32 H32 120.6 . . ?
C31 C32 H32 120.6 . . ?
C32 C33 C29 118.8(8) . . ?
C32 C33 C34 119.5(8) . . ?
C29 C33 C34 121.6(7) . . ?
O5 C34 O6 124.7(8) . . ?
O5 C34 C33 123.5(8) . . ?
O6 C34 C33 111.7(7) . . ?
O6 C35 C36 113.8(6) . . ?
O6 C35 H35A 108.8 . . ?
C36 C35 H35A 108.8 . . ?
O6 C35 H35B 108.8 . . ?
C36 C35 H35B 108.8 . . ?
H35A C35 H35B 107.7 . . ?
C37 C36 C49 121.0(8) . . ?
C37 C36 C35 121.6(8) . . ?
C49 C36 C35 117.3(7) . . ?
C36 C37 C38 123.4(8) . . ?
C36 C37 C42 119.2(8) . . ?
C38 C37 C42 117.4(8) . . ?
C39 C38 C37 121.9(8) . . ?
C39 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C38 C39 C40 120.7(9) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.7 . . ?
C41 C40 C39 120.2(8) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 121.4(9) . . ?
C40 C41 H41 119.3 . . ?
C42 C41 H41 119.3 . . ?
C43 C42 C41 121.1(8) . . ?
C43 C42 C37 120.6(7) . . ?
C41 C42 C37 118.3(8) . . ?
C42 C43 C44 120.4(8) . . ?
C42 C43 C50 119.0(7) . . ?
C44 C43 C50 120.4(7) . . ?
C43 C44 C45 123.6(8) . . ?
C43 C44 C49 119.3(7) . . ?
C45 C44 C49 117.0(7) . . ?
C46 C45 C44 121.9(8) . . ?
C46 C45 H45 119.1 . . ?
C44 C45 H45 119.1 . . ?
C45 C46 C47 120.7(8) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 H46 119.7 . . ?
C48 C47 C46 119.9(8) . . ?
C48 C47 H47 120.1 . . ?
C46 C47 H47 120.1 . . ?
C47 C48 C49 121.6(9) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
C36 C49 C48 121.7(8) . . ?
C36 C49 C44 119.4(7) . . ?
C48 C49 C44 118.9(8) . . ?
O8 C50 C43 113.7(6) . . ?
O8 C50 H50A 108.8 . . ?
C43 C50 H50A 108.8 . . ?
O8 C50 H50B 108.8 . . ?
C43 C50 H50B 108.8 . . ?
H50A C50 H50B 107.7 . . ?
O7 C51 O8 125.4(8) . . ?
O7 C51 C52 123.4(8) . . ?
O8 C51 C52 111.2(7) . . ?
C56 C52 C53 119.3(8) . . ?
C56 C52 C51 123.5(7) . . ?
C53 C52 C51 117.1(7) . . ?
C54 C53 C52 117.8(8) . . ?
C54 C53 H53 121.1 . . ?
C52 C53 H53 121.1 . . ?
C55 C54 C53 118.9(8) . . ?
C55 C54 H54 120.6 . . ?
C53 C54 H54 120.6 . . ?
N4 C55 C54 123.9(8) . . ?
N4 C55 H55 118.0 . . ?
C54 C55 H55 118.0 . . ?
N4 C56 C52 123.4(7) . . ?
N4 C56 H56 118.3 . . ?
C52 C56 H56 118.3 . . ?
F2 C57 F1 108.5(8) . . ?
F2 C57 F3 105.8(8) . . ?
F1 C57 F3 105.6(8) . . ?
F2 C57 S1 113.2(6) . . ?
F1 C57 S1 112.2(7) . . ?
F3 C57 S1 111.1(6) . . ?
O12 C58 H58A 109.5 . . ?
O12 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O12 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
F6 C59 F4 109.4(8) . . ?
F6 C59 F5 104.4(9) . . ?
F4 C59 F5 103.3(9) . . ?
F6 C59 S3 114.3(8) . . ?
F4 C59 S3 112.9(7) . . ?
F5 C59 S3 111.8(7) . . ?
O16 C60 H60A 109.5 . . ?
O16 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O16 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N1 Ag1 N4 169.3(3) . 1_334 ?
N3 Ag2 N2 169.8(3) . . ?
C1 N1 C2 116.2(7) . . ?
C1 N1 Ag1 123.7(6) . . ?
C2 N1 Ag1 119.8(6) . . ?
C28 N2 C27 117.0(7) . . ?
C28 N2 Ag2 124.6(6) . . ?
C27 N2 Ag2 118.3(6) . . ?
C29 N3 C30 116.4(8) . . ?
C29 N3 Ag2 121.4(6) . . ?
C30 N3 Ag2 121.8(6) . . ?
C56 N4 C55 116.6(7) . . ?
C56 N4 Ag1 125.1(5) . 1_776 ?
C55 N4 Ag1 118.0(5) . 1_776 ?
C6 O2 C7 117.8(6) . . ?
C23 O4 C22 116.6(6) . . ?
C34 O6 C35 118.6(7) . . ?
C51 O8 C50 116.7(6) . . ?
C58 O12 H12A 109.5 . . ?
C60 O16 H16 109.5 . . ?
O10 S1 O9 115.7(5) . . ?
O10 S1 O11 115.4(5) . . ?
O9 S1 O11 113.6(5) . . ?
O10 S1 C57 103.3(4) . . ?
O9 S1 C57 103.2(4) . . ?
O11 S1 C57 103.3(4) . . ?
O15 S3 O13 117.6(5) . . ?
O15 S3 O14 114.9(5) . . ?
O13 S3 O14 112.0(4) . . ?
O15 S3 C59 105.1(4) . . ?
O13 S3 C59 103.4(5) . . ?
O14 S3 C59 101.4(4) . . ?

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
N1 C2 C3 C4 0.2(14) . . . . ?
C2 C3 C4 C5 -0.1(13) . . . . ?
C3 C4 C5 C1 -0.2(12) . . . . ?
C3 C4 C5 C6 -179.8(8) . . . . ?
N1 C1 C5 C4 0.3(13) . . . . ?
N1 C1 C5 C6 179.9(8) . . . . ?
C4 C5 C6 O1 1.6(13) . . . . ?
C1 C5 C6 O1 -178.1(8) . . . . ?
C4 C5 C6 O2 -178.5(7) . . . . ?
C1 C5 C6 O2 1.9(11) . . . . ?
O2 C7 C8 C21 66.6(9) . . . . ?
O2 C7 C8 C9 -118.1(8) . . . . ?
C21 C8 C9 C10 -178.1(7) . . . . ?
C7 C8 C9 C10 6.8(12) . . . . ?
C21 C8 C9 C14 2.9(11) . . . . ?
C7 C8 C9 C14 -172.3(7) . . . . ?
C8 C9 C10 C11 -178.4(8) . . . . ?
C14 C9 C10 C11 0.6(12) . . . . ?
C9 C10 C11 C12 1.5(14) . . . . ?
C10 C11 C12 C13 -2.2(14) . . . . ?
C11 C12 C13 C14 0.7(14) . . . . ?
C8 C9 C14 C15 -3.2(11) . . . . ?
C10 C9 C14 C15 177.7(7) . . . . ?
C8 C9 C14 C13 177.0(7) . . . . ?
C10 C9 C14 C13 -2.1(11) . . . . ?
C12 C13 C14 C15 -178.4(8) . . . . ?
C12 C13 C14 C9 1.4(12) . . . . ?
C9 C14 C15 C16 0.9(12) . . . . ?
C13 C14 C15 C16 -179.3(7) . . . . ?
C9 C14 C15 C22 -176.0(7) . . . . ?
C13 C14 C15 C22 3.8(11) . . . . ?
C14 C15 C16 C17 -178.9(7) . . . . ?
C22 C15 C16 C17 -2.1(12) . . . . ?
C14 C15 C16 C21 1.7(11) . . . . ?
C22 C15 C16 C21 178.5(7) . . . . ?
C15 C16 C17 C18 179.8(8) . . . . ?
C21 C16 C17 C18 -0.7(12) . . . . ?
C16 C17 C18 C19 1.1(13) . . . . ?
C17 C18 C19 C20 0.2(14) . . . . ?
C18 C19 C20 C21 -1.8(13) . . . . ?
C9 C8 C21 C20 179.0(7) . . . . ?
C7 C8 C21 C20 -5.6(11) . . . . ?
C9 C8 C21 C16 -0.3(11) . . . . ?
C7 C8 C21 C16 175.0(7) . . . . ?
C19 C20 C21 C8 -177.3(8) . . . . ?
C19 C20 C21 C16 2.1(12) . . . . ?
C15 C16 C21 C8 -2.0(11) . . . . ?
C17 C16 C21 C8 178.6(7) . . . . ?
C15 C16 C21 C20 178.6(7) . . . . ?
C17 C16 C21 C20 -0.8(11) . . . . ?
C14 C15 C22 O4 -70.5(9) . . . . ?
C16 C15 C22 O4 112.7(8) . . . . ?
O3 C23 C24 C28 -179.9(9) . . . . ?
O4 C23 C24 C28 -0.9(11) . . . . ?
O3 C23 C24 C25 -0.6(13) . . . . ?
O4 C23 C24 C25 178.3(7) . . . . ?
C28 C24 C25 C26 -0.1(12) . . . . ?
C23 C24 C25 C26 -179.4(8) . . . . ?
C24 C25 C26 C27 1.2(13) . . . . ?
C25 C26 C27 N2 -0.7(14) . . . . ?
C25 C24 C28 N2 -1.6(13) . . . . ?
C23 C24 C28 N2 177.7(8) . . . . ?
N3 C30 C31 C32 -1.6(14) . . . . ?
C30 C31 C32 C33 -0.3(13) . . . . ?
C31 C32 C33 C29 1.0(13) . . . . ?
C31 C32 C33 C34 179.4(8) . . . . ?
N3 C29 C33 C32 0.2(13) . . . . ?
N3 C29 C33 C34 -178.2(8) . . . . ?
C32 C33 C34 O5 -1.8(13) . . . . ?
C29 C33 C34 O5 176.6(9) . . . . ?
C32 C33 C34 O6 177.7(7) . . . . ?
C29 C33 C34 O6 -3.9(11) . . . . ?
O6 C35 C36 C37 -114.5(8) . . . . ?
O6 C35 C36 C49 69.6(9) . . . . ?
C49 C36 C37 C38 -177.3(7) . . . . ?
C35 C36 C37 C38 6.9(12) . . . . ?
C49 C36 C37 C42 2.2(12) . . . . ?
C35 C36 C37 C42 -173.5(7) . . . . ?
C36 C37 C38 C39 -178.7(8) . . . . ?
C42 C37 C38 C39 1.7(12) . . . . ?
C37 C38 C39 C40 0.8(14) . . . . ?
C38 C39 C40 C41 -1.8(14) . . . . ?
C39 C40 C41 C42 0.2(14) . . . . ?
C40 C41 C42 C43 -177.9(8) . . . . ?
C40 C41 C42 C37 2.4(12) . . . . ?
C36 C37 C42 C43 -2.5(11) . . . . ?
C38 C37 C42 C43 177.0(7) . . . . ?
C36 C37 C42 C41 177.2(7) . . . . ?
C38 C37 C42 C41 -3.3(11) . . . . ?
C41 C42 C43 C44 -179.3(7) . . . . ?
C37 C42 C43 C44 0.4(12) . . . . ?
C41 C42 C43 C50 5.3(11) . . . . ?
C37 C42 C43 C50 -175.0(7) . . . . ?
C42 C43 C44 C45 -178.8(7) . . . . ?
C50 C43 C44 C45 -3.4(12) . . . . ?
C42 C43 C44 C49 2.0(11) . . . . ?
C50 C43 C44 C49 177.4(7) . . . . ?
C43 C44 C45 C46 -179.5(8) . . . . ?
C49 C44 C45 C46 -0.3(12) . . . . ?
C44 C45 C46 C47 1.5(13) . . . . ?
C45 C46 C47 C48 -1.1(13) . . . . ?
C46 C47 C48 C49 -0.5(13) . . . . ?
C37 C36 C49 C48 179.9(7) . . . . ?
C35 C36 C49 C48 -4.2(11) . . . . ?
C37 C36 C49 C44 0.2(11) . . . . ?
C35 C36 C49 C44 176.1(7) . . . . ?
C47 C48 C49 C36 -178.0(8) . . . . ?
C47 C48 C49 C44 1.8(12) . . . . ?
C43 C44 C49 C36 -2.4(11) . . . . ?
C45 C44 C49 C36 178.4(7) . . . . ?
C43 C44 C49 C48 177.9(7) . . . . ?
C45 C44 C49 C48 -1.3(11) . . . . ?
C42 C43 C50 O8 -72.4(9) . . . . ?
C44 C43 C50 O8 112.1(8) . . . . ?
O7 C51 C52 C56 -174.0(9) . . . . ?
O8 C51 C52 C56 4.2(11) . . . . ?
O7 C51 C52 C53 3.6(13) . . . . ?
O8 C51 C52 C53 -178.2(7) . . . . ?
C56 C52 C53 C54 -1.6(12) . . . . ?
C51 C52 C53 C54 -179.3(8) . . . . ?
C52 C53 C54 C55 0.8(13) . . . . ?
C53 C54 C55 N4 1.0(14) . . . . ?
C53 C52 C56 N4 0.8(13) . . . . ?
C51 C52 C56 N4 178.3(8) . . . . ?
C5 C1 N1 C2 -0.2(12) . . . . ?
C5 C1 N1 Ag1 173.6(6) . . . . ?
C3 C2 N1 C1 -0.1(13) . . . . ?
C3 C2 N1 Ag1 -174.1(7) . . . . ?
C24 C28 N2 C27 2.1(13) . . . . ?
C24 C28 N2 Ag2 -174.0(6) . . . . ?
C26 C27 N2 C28 -1.0(13) . . . . ?
C26 C27 N2 Ag2 175.5(7) . . . . ?
C33 C29 N3 C30 -2.0(12) . . . . ?
C33 C29 N3 Ag2 170.7(6) . . . . ?
C31 C30 N3 C29 2.7(13) . . . . ?
C31 C30 N3 Ag2 -170.0(7) . . . . ?
C52 C56 N4 C55 0.9(12) . . . . ?
C52 C56 N4 Ag1 -172.6(6) . . . 1_776 ?
C54 C55 N4 C56 -1.8(13) . . . . ?
C54 C55 N4 Ag1 172.2(7) . . . 1_776 ?
O1 C6 O2 C7 -3.5(12) . . . . ?
C5 C6 O2 C7 176.5(6) . . . . ?
C8 C7 O2 C6 92.6(8) . . . . ?
O3 C23 O4 C22 6.4(12) . . . . ?
C24 C23 O4 C22 -172.6(6) . . . . ?
C15 C22 O4 C23 -90.4(9) . . . . ?
O5 C34 O6 C35 -6.4(12) . . . . ?
C33 C34 O6 C35 174.0(6) . . . . ?
C36 C35 O6 C34 95.2(9) . . . . ?
O7 C51 O8 C50 6.2(12) . . . . ?
C52 C51 O8 C50 -172.0(6) . . . . ?
C43 C50 O8 C51 -91.1(9) . . . . ?
F2 C57 S1 O10 -63.1(8) . . . . ?
F1 C57 S1 O10 60.1(8) . . . . ?
F3 C57 S1 O10 178.1(7) . . . . ?
F2 C57 S1 O9 176.0(7) . . . . ?
F1 C57 S1 O9 -60.8(7) . . . . ?
F3 C57 S1 O9 57.2(7) . . . . ?
F2 C57 S1 O11 57.5(8) . . . . ?
F1 C57 S1 O11 -179.3(7) . . . . ?
F3 C57 S1 O11 -61.4(7) . . . . ?
F6 C59 S3 O15 50.3(9) . . . . ?
F4 C59 S3 O15 176.1(8) . . . . ?
F5 C59 S3 O15 -68.0(8) . . . . ?
F6 C59 S3 O13 -73.5(8) . . . . ?
F4 C59 S3 O13 52.3(8) . . . . ?
F5 C59 S3 O13 168.2(7) . . . . ?
F6 C59 S3 O14 170.3(7) . . . . ?
F4 C59 S3 O14 -63.9(8) . . . . ?
F5 C59 S3 O14 52.0(7) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1 H1 O11 0.95 2.38 3.288(11) 160.8 2_876
C2 H2 O14 0.95 2.49 3.200(11) 132.0 2_876
C27 H27 O13 0.95 2.61 3.324(12) 132.1 .
C28 H28 O10 0.95 2.44 3.150(11) 131.1 .
C30 H30 O12 0.95 2.60 3.498(13) 157.2 2_776
C55 H55 O9 0.95 2.51 3.202(11) 129.8 2_:97
C56 H56 O14 0.95 2.52 3.220(10) 130.5 2_:97
C58 H58A O11 0.98 2.60 3.348(17) 133.7 2_876
C58 H58B F3 0.98 2.53 3.275(15) 133.0 2_876
C60 H60A F6 0.98 2.56 3.328(15) 135.1 .
O12 H12A O10 0.84 1.94 2.758(12) 165.6 2_776
O16 H16 O14 0.84 2.02 2.692(12) 135.9 1_455

_refine_diff_density_max         1.774
_refine_diff_density_min         -1.804
_refine_diff_density_rms         0.143


# start Validation Reply Form
_vrf_THETM01_complex2            
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: no diffraction recorded in high angles
;
_vrf_PLAT222_complex2            
;
PROBLEM: Large Non-Solvent  H     Uiso(max)/Uiso(min) ...       10.0 Ratio 
RESPONSE: H atom attach to O16, which as a large Ueq
;
_vrf_PLAT241_complex2            
;
PROBLEM: High      Ueq as Compared to Neighbors for .....        O16 Check 
RESPONSE: O atom attach to Ag atom but also doing some H-bonding,
the splitting of this atom didn't solve the problem
;
_vrf_PLAT112_complex2            
;
PROBLEM: ADDSYM Detects Additional (Pseudo) Symm. Elem...        c/2 Check 
RESPONSE: No higher symmetry possible
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AgTriflatediNicoAnthra
_database_code_depnum_ccdc_archive 'CCDC 1547594'
_audit_update_record             
;
2017-07-11 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C28 H20 Ag N2 O4, C F3 O3 S'
_chemical_formula_sum            'C29 H20 Ag F3 N2 O7 S'
_exptl_crystal_recrystallization_method 'DCM, MeOH'
_chemical_melting_point          ?

_exptl_crystal_description       needle
_exptl_crystal_colour            Yellow
_diffrn_ambient_temperature      298(2)
_chemical_formula_weight         705.40

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_chemical_absolute_configuration ?

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

_cell_length_a                   8.2703(17)
_cell_length_b                   12.916(3)
_cell_length_c                   13.267(3)
_cell_angle_alpha                98.584(16)
_cell_angle_beta                 99.288(16)
_cell_angle_gamma                98.638(17)
_cell_volume                     1360.7(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    11364
_cell_measurement_theta_min      1.58
_cell_measurement_theta_max      25.51
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_F_000             708
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    0.891
_shelx_estimated_absorpt_T_min   0.821
_shelx_estimated_absorpt_T_max   0.982
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.3436
_exptl_absorpt_correction_T_max  0.6410
_exptl_absorpt_process_details   
;
Stoe & Cie (2002). X-SHAPE. Stoe & Cie, Darmstadt, Germany
;
_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17323
_diffrn_reflns_av_unetI/netI     0.1273
_diffrn_reflns_av_R_equivalents  0.1894
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.581
_diffrn_reflns_theta_max         25.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             4893
_reflns_number_gt                2560
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0553P)²+2.4033P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4893
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1699
_refine_ls_R_factor_gt           0.0922
_refine_ls_wR_factor_ref         0.2257
_refine_ls_wR_factor_gt          0.1870
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4614(12) 0.4268(8) 0.2338(8) 0.070(3) Uani 1 1 d . . . . .
H1 H 0.4305 0.3632 0.2564 0.085 Uiso 1 1 calc R U . . .
C2 C 0.6242(13) 0.5917(10) 0.2593(10) 0.087(3) Uani 1 1 d . . . . .
H2 H 0.7091 0.6432 0.3009 0.104 Uiso 1 1 calc R U . . .
C3 C 0.5485(14) 0.6132(9) 0.1654(10) 0.084(3) Uani 1 1 d . . . . .
H3 H 0.5816 0.6774 0.1444 0.101 Uiso 1 1 calc R U . . .
C4 C 0.4224(14) 0.5364(9) 0.1041(9) 0.079(3) Uani 1 1 d . . . . .
H4 H 0.3673 0.5482 0.0412 0.095 Uiso 1 1 calc R U . . .
C5 C 0.3799(12) 0.4422(9) 0.1379(8) 0.072(3) Uani 1 1 d . . . . .
C6 C 0.2446(13) 0.3570(9) 0.0715(9) 0.076(3) Uani 1 1 d . . . . .
C7 C 0.1171(12) 0.1724(8) 0.0441(8) 0.075(3) Uani 1 1 d . . . . .
H7A H 0.0383 0.1980 -0.0044 0.090 Uiso 1 1 calc R U . . .
H7B H 0.0586 0.1468 0.0958 0.090 Uiso 1 1 calc R U . . .
C8 C 0.1804(11) 0.0799(8) -0.0143(9) 0.069(3) Uani 1 1 d . . . . .
C9 C 0.2548(11) 0.0119(8) 0.0448(8) 0.072(3) Uani 1 1 d . . . . .
C10 C 0.2780(13) 0.0275(9) 0.1547(9) 0.079(3) Uani 1 1 d . . . . .
H10 H 0.2428 0.0854 0.1897 0.095 Uiso 1 1 calc R U . . .
C11 C 0.3488(14) -0.0381(9) 0.2096(9) 0.084(3) Uani 1 1 d . . . . .
H11 H 0.3619 -0.0260 0.2815 0.101 Uiso 1 1 calc R U . . .
C12 C 0.4038(14) -0.1267(10) 0.1567(10) 0.092(3) Uani 1 1 d . . . . .
H12 H 0.4538 -0.1723 0.1946 0.110 Uiso 1 1 calc R U . . .
C13 C 0.3844(12) -0.1451(9) 0.0529(9) 0.078(3) Uani 1 1 d . . . . .
H13 H 0.4215 -0.2038 0.0209 0.093 Uiso 1 1 calc R U . . .
C14 C 0.3087(12) -0.0783(8) -0.0112(8) 0.072(3) Uani 1 1 d . . . . .
C15 C 0.2821(11) -0.0950(8) -0.1186(8) 0.066(2) Uani 1 1 d . . . . .
C16 C 0.2057(12) -0.0273(9) -0.1754(9) 0.075(3) Uani 1 1 d . . . . .
C17 C 0.1735(14) -0.0444(11) -0.2860(9) 0.092(3) Uani 1 1 d . . . . .
H17 H 0.1976 -0.1057 -0.3224 0.110 Uiso 1 1 calc R U . . .
C18 C 0.1096(16) 0.0250(12) -0.3390(11) 0.106(4) Uani 1 1 d . . . . .
H18 H 0.0872 0.0107 -0.4111 0.127 Uiso 1 1 calc R U . . .
C19 C 0.0760(14) 0.1201(12) -0.2856(11) 0.098(4) Uani 1 1 d . . . . .
H19 H 0.0391 0.1702 -0.3230 0.118 Uiso 1 1 calc R U . . .
C20 C 0.0963(14) 0.1391(9) -0.1827(10) 0.085(3) Uani 1 1 d . . . . .
H20 H 0.0677 0.2006 -0.1495 0.102 Uiso 1 1 calc R U . . .
C21 C 0.1614(12) 0.0668(8) -0.1220(9) 0.072(3) Uani 1 1 d . . . . .
C22 C 0.3399(13) -0.1881(8) -0.1781(8) 0.080(3) Uani 1 1 d . . . . .
H22A H 0.3974 -0.1634 -0.2306 0.096 Uiso 1 1 calc R U . . .
H22B H 0.4184 -0.2152 -0.1307 0.096 Uiso 1 1 calc R U . . .
C23 C 0.1694(14) -0.3582(9) -0.1832(9) 0.079(3) Uani 1 1 d . . . . .
C24 C 0.0356(12) -0.4458(8) -0.2446(8) 0.070(3) Uani 1 1 d . . . . .
C25 C -0.0075(14) -0.5342(10) -0.2022(9) 0.086(3) Uani 1 1 d . . . . .
H25 H 0.0416 -0.5385 -0.1351 0.103 Uiso 1 1 calc R U . . .
C26 C -0.1269(13) -0.6172(9) -0.2625(9) 0.083(3) Uani 1 1 d . . . . .
H26 H -0.1581 -0.6786 -0.2364 0.099 Uiso 1 1 calc R U . . .
C27 C -0.1970(15) -0.6080(10) -0.3589(9) 0.096(4) Uani 1 1 d . . . . .
H27 H -0.2752 -0.6647 -0.3987 0.116 Uiso 1 1 calc R U . . .
C28 C -0.0424(13) -0.4406(9) -0.3422(9) 0.078(3) Uani 1 1 d . . . . .
H28 H -0.0135 -0.3796 -0.3694 0.094 Uiso 1 1 calc R U . . .
C29 C 0.4117(18) 0.1487(11) 0.4913(11) 0.093(3) Uani 1 1 d . . . . .
Ag1 Ag 0.69665(11) 0.48910(7) 0.44981(7) 0.0902(4) Uani 1 1 d . . . . .
F1 F 0.4580(11) 0.1692(6) 0.5933(6) 0.129(3) Uani 1 1 d . . . . .
F2 F 0.5441(10) 0.1409(7) 0.4491(7) 0.137(3) Uani 1 1 d . . . . .
F3 F 0.3087(11) 0.0557(6) 0.4626(7) 0.124(3) Uani 1 1 d . . . . .
N1 N 0.5811(10) 0.5002(7) 0.2934(7) 0.075(2) Uani 1 1 d . . . . .
N2 N -0.1590(11) -0.5200(7) -0.4006(7) 0.082(2) Uani 1 1 d . . . . .
O1 O 0.1403(11) 0.3756(6) 0.0056(7) 0.116(3) Uani 1 1 d . . . . .
O2 O 0.2509(8) 0.2609(6) 0.0954(6) 0.082(2) Uani 1 1 d . . . . .
O3 O 0.1987(8) -0.2761(6) -0.2290(6) 0.0806(19) Uani 1 1 d . . . . .
O4 O 0.2485(11) -0.3668(7) -0.1004(6) 0.106(3) Uani 1 1 d . . . . .
O5 O 0.2670(12) 0.2256(7) 0.3371(6) 0.112(3) Uani 1 1 d . . . . .
O6 O 0.4489(10) 0.3479(6) 0.4821(7) 0.109(3) Uani 1 1 d . . . . .
O7 O 0.1803(10) 0.2636(7) 0.5029(7) 0.104(2) Uani 1 1 d . . . . .
S1 S 0.3139(4) 0.2569(2) 0.4466(3) 0.0881(9) 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
C1 N1 1.320(12) . ?
C1 C5 1.397(14) . ?
C1 H1 0.9300 . ?
C2 N1 1.347(13) . ?
C2 C3 1.388(16) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.503(14) . ?
C6 O1 1.204(12) . ?
C6 O2 1.333(11) . ?
C7 O2 1.462(11) . ?
C7 C8 1.531(13) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C21 1.394(14) . ?
C8 C9 1.407(13) . ?
C9 C10 1.419(14) . ?
C9 C14 1.453(14) . ?
C10 C11 1.337(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.424(15) . ?
C11 H11 0.9300 . ?
C12 C13 1.341(15) . ?
C12 H12 0.9300 . ?
C13 C14 1.439(14) . ?
C13 H13 0.9300 . ?
C14 C15 1.385(14) . ?
C15 C16 1.393(14) . ?
C15 C22 1.519(14) . ?
C16 C17 1.426(15) . ?
C16 C21 1.440(14) . ?
C17 C18 1.337(16) . ?
C17 H17 0.9300 . ?
C18 C19 1.412(17) . ?
C18 H18 0.9300 . ?
C19 C20 1.329(16) . ?
C19 H19 0.9300 . ?
C20 C21 1.430(14) . ?
C20 H20 0.9300 . ?
C22 O3 1.493(12) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 O4 1.214(12) . ?
C23 O3 1.310(12) . ?
C23 C24 1.491(15) . ?
C24 C28 1.366(14) . ?
C24 C25 1.372(14) . ?
C25 C26 1.391(15) . ?
C25 H25 0.9300 . ?
C26 C27 1.347(15) . ?
C26 H26 0.9300 . ?
C27 N2 1.354(14) . ?
C27 H27 0.9300 . ?
C28 N2 1.344(13) . ?
C28 H28 0.9300 . ?
C29 F2 1.318(13) . ?
C29 F1 1.320(14) . ?
C29 F3 1.328(14) . ?
C29 S1 1.842(12) . ?
Ag1 N2 2.174(9) 1_666 ?
Ag1 N1 2.175(9) . ?
N2 Ag1 2.174(9) 1_444 ?
O5 S1 1.422(8) . ?
O6 S1 1.457(8) . ?
O7 S1 1.435(8) . ?

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 C1 C5 121.8(10) . . ?
N1 C1 H1 119.1 . . ?
C5 C1 H1 119.1 . . ?
N1 C2 C3 123.4(11) . . ?
N1 C2 H2 118.3 . . ?
C3 C2 H2 118.3 . . ?
C4 C3 C2 118.0(10) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C5 C4 C3 118.8(10) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 C1 119.8(10) . . ?
C4 C5 C6 119.5(10) . . ?
C1 C5 C6 120.7(10) . . ?
O1 C6 O2 124.3(10) . . ?
O1 C6 C5 122.7(10) . . ?
O2 C6 C5 113.0(9) . . ?
O2 C7 C8 112.9(8) . . ?
O2 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
O2 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C21 C8 C9 123.4(10) . . ?
C21 C8 C7 119.1(9) . . ?
C9 C8 C7 117.5(10) . . ?
C8 C9 C10 123.0(10) . . ?
C8 C9 C14 117.3(10) . . ?
C10 C9 C14 119.6(9) . . ?
C11 C10 C9 122.2(10) . . ?
C11 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C10 C11 C12 119.3(11) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 120.8(11) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 123.0(11) . . ?
C12 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C15 C14 C13 125.4(10) . . ?
C15 C14 C9 119.5(9) . . ?
C13 C14 C9 115.1(10) . . ?
C14 C15 C16 122.0(9) . . ?
C14 C15 C22 120.1(9) . . ?
C16 C15 C22 117.9(10) . . ?
C15 C16 C17 122.9(10) . . ?
C15 C16 C21 119.8(10) . . ?
C17 C16 C21 117.3(10) . . ?
C18 C17 C16 122.0(12) . . ?
C18 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C17 C18 C19 120.1(13) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 121.1(12) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 121.1(11) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C8 C21 C20 124.1(10) . . ?
C8 C21 C16 117.6(9) . . ?
C20 C21 C16 118.2(10) . . ?
O3 C22 C15 112.3(8) . . ?
O3 C22 H22A 109.1 . . ?
C15 C22 H22A 109.1 . . ?
O3 C22 H22B 109.1 . . ?
C15 C22 H22B 109.1 . . ?
H22A C22 H22B 107.9 . . ?
O4 C23 O3 124.0(11) . . ?
O4 C23 C24 121.5(11) . . ?
O3 C23 C24 114.4(9) . . ?
C28 C24 C25 119.6(10) . . ?
C28 C24 C23 121.6(10) . . ?
C25 C24 C23 118.8(10) . . ?
C24 C25 C26 118.0(10) . . ?
C24 C25 H25 121.0 . . ?
C26 C25 H25 121.0 . . ?
C27 C26 C25 119.5(11) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 N2 123.0(11) . . ?
C26 C27 H27 118.5 . . ?
N2 C27 H27 118.5 . . ?
N2 C28 C24 122.8(10) . . ?
N2 C28 H28 118.6 . . ?
C24 C28 H28 118.6 . . ?
F2 C29 F1 109.0(12) . . ?
F2 C29 F3 107.7(11) . . ?
F1 C29 F3 109.7(11) . . ?
F2 C29 S1 109.1(9) . . ?
F1 C29 S1 110.1(9) . . ?
F3 C29 S1 111.3(9) . . ?
N2 Ag1 N1 172.9(3) 1_666 . ?
C1 N1 C2 118.2(9) . . ?
C1 N1 Ag1 124.0(7) . . ?
C2 N1 Ag1 117.5(7) . . ?
C28 N2 C27 117.1(9) . . ?
C28 N2 Ag1 124.5(7) . 1_444 ?
C27 N2 Ag1 118.3(7) . 1_444 ?
C6 O2 C7 118.8(8) . . ?
C23 O3 C22 118.6(8) . . ?
O5 S1 O7 116.3(6) . . ?
O5 S1 O6 115.1(6) . . ?
O7 S1 O6 112.2(5) . . ?
O5 S1 C29 105.1(6) . . ?
O7 S1 C29 104.4(6) . . ?
O6 S1 C29 101.7(6) . . ?

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
N1 C2 C3 C4 0.1(17) . . . . ?
C2 C3 C4 C5 -1.1(15) . . . . ?
C3 C4 C5 C1 1.5(15) . . . . ?
C3 C4 C5 C6 -179.1(9) . . . . ?
N1 C1 C5 C4 -0.9(15) . . . . ?
N1 C1 C5 C6 179.7(9) . . . . ?
C4 C5 C6 O1 -21.4(16) . . . . ?
C1 C5 C6 O1 158.0(11) . . . . ?
C4 C5 C6 O2 160.1(9) . . . . ?
C1 C5 C6 O2 -20.5(13) . . . . ?
O2 C7 C8 C21 -102.9(10) . . . . ?
O2 C7 C8 C9 77.4(11) . . . . ?
C21 C8 C9 C10 178.1(9) . . . . ?
C7 C8 C9 C10 -2.1(14) . . . . ?
C21 C8 C9 C14 -2.1(14) . . . . ?
C7 C8 C9 C14 177.6(8) . . . . ?
C8 C9 C10 C11 179.9(10) . . . . ?
C14 C9 C10 C11 0.1(16) . . . . ?
C9 C10 C11 C12 0.3(17) . . . . ?
C10 C11 C12 C13 -0.4(18) . . . . ?
C11 C12 C13 C14 0.2(18) . . . . ?
C12 C13 C14 C15 -178.4(11) . . . . ?
C12 C13 C14 C9 0.2(15) . . . . ?
C8 C9 C14 C15 -1.4(14) . . . . ?
C10 C9 C14 C15 178.4(9) . . . . ?
C8 C9 C14 C13 179.8(9) . . . . ?
C10 C9 C14 C13 -0.4(13) . . . . ?
C13 C14 C15 C16 179.0(10) . . . . ?
C9 C14 C15 C16 0.5(15) . . . . ?
C13 C14 C15 C22 -2.2(15) . . . . ?
C9 C14 C15 C22 179.2(9) . . . . ?
C14 C15 C16 C17 -178.5(10) . . . . ?
C22 C15 C16 C17 2.7(15) . . . . ?
C14 C15 C16 C21 3.9(15) . . . . ?
C22 C15 C16 C21 -174.9(9) . . . . ?
C15 C16 C17 C18 -175.7(11) . . . . ?
C21 C16 C17 C18 2.0(17) . . . . ?
C16 C17 C18 C19 2(2) . . . . ?
C17 C18 C19 C20 -5(2) . . . . ?
C18 C19 C20 C21 3.4(18) . . . . ?
C9 C8 C21 C20 -175.6(10) . . . . ?
C7 C8 C21 C20 4.7(15) . . . . ?
C9 C8 C21 C16 6.3(15) . . . . ?
C7 C8 C21 C16 -173.4(8) . . . . ?
C19 C20 C21 C8 -177.7(11) . . . . ?
C19 C20 C21 C16 0.4(16) . . . . ?
C15 C16 C21 C8 -7.1(14) . . . . ?
C17 C16 C21 C8 175.1(10) . . . . ?
C15 C16 C21 C20 174.7(10) . . . . ?
C17 C16 C21 C20 -3.1(14) . . . . ?
C14 C15 C22 O3 105.4(10) . . . . ?
C16 C15 C22 O3 -75.7(11) . . . . ?
O4 C23 C24 C28 -173.5(10) . . . . ?
O3 C23 C24 C28 2.9(14) . . . . ?
O4 C23 C24 C25 5.3(16) . . . . ?
O3 C23 C24 C25 -178.3(9) . . . . ?
C28 C24 C25 C26 1.9(15) . . . . ?
C23 C24 C25 C26 -177.0(9) . . . . ?
C24 C25 C26 C27 -0.7(16) . . . . ?
C25 C26 C27 N2 -1.1(19) . . . . ?
C25 C24 C28 N2 -1.3(16) . . . . ?
C23 C24 C28 N2 177.5(9) . . . . ?
C5 C1 N1 C2 -0.1(14) . . . . ?
C5 C1 N1 Ag1 173.6(7) . . . . ?
C3 C2 N1 C1 0.5(15) . . . . ?
C3 C2 N1 Ag1 -173.6(8) . . . . ?
C24 C28 N2 C27 -0.5(16) . . . . ?
C24 C28 N2 Ag1 174.1(8) . . . 1_444 ?
C26 C27 N2 C28 1.7(18) . . . . ?
C26 C27 N2 Ag1 -173.2(9) . . . 1_444 ?
O1 C6 O2 C7 -4.5(16) . . . . ?
C5 C6 O2 C7 173.9(8) . . . . ?
C8 C7 O2 C6 122.4(10) . . . . ?
O4 C23 O3 C22 1.3(15) . . . . ?
C24 C23 O3 C22 -175.0(8) . . . . ?
C15 C22 O3 C23 -99.2(10) . . . . ?
F2 C29 S1 O5 61.4(11) . . . . ?
F1 C29 S1 O5 -179.1(10) . . . . ?
F3 C29 S1 O5 -57.3(11) . . . . ?
F2 C29 S1 O7 -175.8(9) . . . . ?
F1 C29 S1 O7 -56.2(11) . . . . ?
F3 C29 S1 O7 65.6(10) . . . . ?
F2 C29 S1 O6 -59.0(11) . . . . ?
F1 C29 S1 O6 60.6(11) . . . . ?
F3 C29 S1 O6 -177.6(9) . . . . ?

_refine_diff_density_max         0.671
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.085

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

data_5_CCDC1413540
_database_code_depnum_ccdc_archive 'CCDC 1413540'
_audit_update_record             
;
2017-07-11 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C28 H20 Ag N2 O4, N O3'
_chemical_formula_sum            'C28 H20 Ag N3 O7'
_chemical_melting_point          ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      150(2)
_chemical_formula_weight         618.34

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_chemical_absolute_configuration .

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_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.
;

_cell_length_a                   32.985(2)
_cell_length_b                   5.4535(2)
_cell_length_c                   14.4690(9)
_cell_angle_alpha                90
_cell_angle_beta                 112.955(5)
_cell_angle_gamma                90
_cell_volume                     2396.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    22896
_cell_measurement_theta_min      1.53
_cell_measurement_theta_max      29.69
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_F_000             1248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.898
_shelx_estimated_absorpt_T_min   0.762
_shelx_estimated_absorpt_T_max   0.855
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8883
_exptl_absorpt_correction_T_max  0.9745
_exptl_absorpt_process_details   
;
Stoe & Cie (2002). X-SHAPE. Stoe & Cie, Darmstadt, Germany
;
_exptl_absorpt_special_details   ?
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32569
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.682
_diffrn_reflns_theta_max         29.343
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             3213
_reflns_number_gt                2714
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0892P)²+17.0462P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0034(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3213
_refine_ls_number_parameters     194
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1658
_refine_ls_wR_factor_gt          0.1577
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.06711(12) 0.8553(7) 0.1469(3) 0.0288(7) Uani 1 1 d . . . . .
H1 H 0.0639 0.7443 0.1943 0.035 Uiso 1 1 calc R U . . .
C2 C 0.05186(14) 0.9626(8) -0.0173(3) 0.0344(8) Uani 1 1 d . . . . .
H2 H 0.0379 0.9259 -0.0868 0.041 Uiso 1 1 calc R U . . .
C3 C 0.07637(13) 1.1753(8) 0.0107(3) 0.0332(8) Uani 1 1 d . . . . .
H3 H 0.0791 1.2819 -0.0385 0.040 Uiso 1 1 calc R U . . .
C4 C 0.09699(12) 1.2302(7) 0.1128(3) 0.0303(7) Uani 1 1 d . . . . .
H4 H 0.1135 1.3769 0.1346 0.036 Uiso 1 1 calc R U . . .
C5 C 0.09277(11) 1.0645(7) 0.1819(3) 0.0265(7) Uani 1 1 d . . . . .
C6 C 0.11426(11) 1.1002(7) 0.2931(3) 0.0270(7) Uani 1 1 d . . . . .
C7 C 0.15605(12) 1.3712(7) 0.4236(3) 0.0293(7) Uani 1 1 d . . . . .
H7A H 0.1414 1.2787 0.4609 0.035 Uiso 1 1 calc R U . . .
H7B H 0.1533 1.5483 0.4351 0.035 Uiso 1 1 calc R U . . .
C8 C 0.20394(11) 1.3028(6) 0.4628(2) 0.0264(7) Uani 1 1 d . . . . .
C9 C 0.22166(12) 1.1104(6) 0.5324(2) 0.0259(6) Uani 1 1 d . . . . .
C10 C 0.19464(13) 0.9584(7) 0.5662(3) 0.0297(7) Uani 1 1 d . . . . .
H10 H 0.1639 0.9901 0.5426 0.036 Uiso 1 1 calc R U . . .
C11 C 0.21210(13) 0.7694(7) 0.6316(3) 0.0320(8) Uani 1 1 d . . . . .
H11 H 0.1934 0.6704 0.6520 0.038 Uiso 1 1 calc R U . . .
C12 C 0.25748(14) 0.7197(7) 0.6691(3) 0.0331(8) Uani 1 1 d . . . . .
H12 H 0.2693 0.5884 0.7149 0.040 Uiso 1 1 calc R U . . .
C13 C 0.28448(13) 0.8599(7) 0.6396(3) 0.0304(7) Uani 1 1 d . . . . .
H13 H 0.3151 0.8259 0.6661 0.036 Uiso 1 1 calc R U . . .
C14 C 0.26771(12) 1.0586(6) 0.5693(2) 0.0255(6) Uani 1 1 d . . . . .
Ag1 Ag 0.0000 0.5000 0.0000 0.0395(2) Uani 1 2 d S . P . .
N1 N 0.04671(10) 0.8051(6) 0.0486(2) 0.0312(6) Uani 1 1 d . . . . .
O1 O 0.11402(11) 0.9472(6) 0.3521(2) 0.0373(6) Uani 1 1 d . . . . .
O2 O 0.13410(8) 1.3176(5) 0.31623(18) 0.0288(5) Uani 1 1 d . . . . .
N2 N 0.0000 0.4491(9) 0.2500 0.0332(10) Uani 1 2 d DS T P . .
O3 O 0.0201(2) 0.3730(13) 0.1968(5) 0.0400(13) Uani 0.5 1 d . . P A 1
O4 O 0.0177(4) 0.5121(19) 0.3297(7) 0.076(3) Uani 0.5 1 d . . P A 1
O5 O -0.0417(3) 0.441(2) 0.2053(9) 0.077(3) Uani 0.5 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.344(5) . ?
C1 C5 1.393(5) . ?
C1 H1 0.9500 . ?
C2 N1 1.342(5) . ?
C2 C3 1.381(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.397(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.496(5) . ?
C6 O1 1.196(5) . ?
C6 O2 1.332(4) . ?
C7 O2 1.465(4) . ?
C7 C8 1.503(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.413(5) . ?
C8 C14 1.415(5) 7_576 ?
C9 C14 1.428(5) . ?
C9 C10 1.435(5) . ?
C10 C11 1.366(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.405(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.362(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.441(5) . ?
C13 H13 0.9500 . ?
C14 C8 1.415(5) 7_576 ?
Ag1 N1 2.189(3) . ?
Ag1 N1 2.189(3) 5_565 ?
N2 O4 1.125(9) 2 ?
N2 O4 1.125(9) . ?
N2 O3 1.266(6) . ?
N2 O3 1.266(6) 2 ?
N2 O5 1.273(9) . ?
N2 O5 1.274(9) 2 ?
O3 O4 1.381(13) 2 ?
O4 O3 1.381(13) 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 C1 C5 122.3(3) . . ?
N1 C1 H1 118.9 . . ?
C5 C1 H1 118.9 . . ?
N1 C2 C3 123.5(4) . . ?
N1 C2 H2 118.2 . . ?
C3 C2 H2 118.3 . . ?
C2 C3 C4 118.5(4) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C5 C4 C3 118.5(4) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C1 C5 C4 119.1(3) . . ?
C1 C5 C6 117.6(3) . . ?
C4 C5 C6 123.3(3) . . ?
O1 C6 O2 125.5(3) . . ?
O1 C6 C5 123.0(3) . . ?
O2 C6 C5 111.5(3) . . ?
O2 C7 C8 111.2(3) . . ?
O2 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
O2 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
C9 C8 C14 119.2(3) . 7_576 ?
C9 C8 C7 122.3(3) . . ?
C14 C8 C7 118.4(3) 7_576 . ?
C8 C9 C14 119.8(3) . . ?
C8 C9 C10 122.2(3) . . ?
C14 C9 C10 118.0(3) . . ?
C11 C10 C9 121.5(4) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C13 C12 C11 119.9(4) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 121.7(4) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C8 C14 C9 120.9(3) 7_576 . ?
C8 C14 C13 120.9(3) 7_576 . ?
C9 C14 C13 118.2(3) . . ?
N1 Ag1 N1 180.0 . 5_565 ?
C1 N1 C2 118.1(3) . . ?
C1 N1 Ag1 119.6(3) . . ?
C2 N1 Ag1 121.8(3) . . ?
C6 O2 C7 115.8(3) . . ?
O4 N2 O4 144.4(12) 2 . ?
O4 N2 O3 70.3(7) 2 . ?
O4 N2 O3 122.5(6) . . ?
O4 N2 O3 122.5(6) 2 2 ?
O4 N2 O3 70.3(7) . 2 ?
O3 N2 O3 141.8(8) . 2 ?
O5 N2 O5 176.1(12) . 2 ?
N2 O3 O4 50.1(4) . 2 ?
N2 O4 O3 59.7(6) . 2 ?

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
N1 C2 C3 C4 0.0(6) . . . . ?
C2 C3 C4 C5 1.6(6) . . . . ?
N1 C1 C5 C4 1.0(6) . . . . ?
N1 C1 C5 C6 -179.4(3) . . . . ?
C3 C4 C5 C1 -2.1(5) . . . . ?
C3 C4 C5 C6 178.4(3) . . . . ?
C1 C5 C6 O1 7.7(6) . . . . ?
C4 C5 C6 O1 -172.7(4) . . . . ?
C1 C5 C6 O2 -173.8(3) . . . . ?
C4 C5 C6 O2 5.7(5) . . . . ?
O2 C7 C8 C9 -113.1(4) . . . . ?
O2 C7 C8 C14 68.7(4) . . . 7_576 ?
C14 C8 C9 C14 0.1(5) 7_576 . . . ?
C7 C8 C9 C14 -178.0(3) . . . . ?
C14 C8 C9 C10 -178.4(3) 7_576 . . . ?
C7 C8 C9 C10 3.5(5) . . . . ?
C8 C9 C10 C11 178.4(3) . . . . ?
C14 C9 C10 C11 -0.1(5) . . . . ?
C9 C10 C11 C12 0.9(6) . . . . ?
C10 C11 C12 C13 -0.4(6) . . . . ?
C11 C12 C13 C14 -0.8(6) . . . . ?
C8 C9 C14 C8 -0.1(5) . . . 7_576 ?
C10 C9 C14 C8 178.4(3) . . . 7_576 ?
C8 C9 C14 C13 -179.6(3) . . . . ?
C10 C9 C14 C13 -1.0(5) . . . . ?
C12 C13 C14 C8 -177.9(3) . . . 7_576 ?
C12 C13 C14 C9 1.5(5) . . . . ?
C5 C1 N1 C2 0.6(6) . . . . ?
C5 C1 N1 Ag1 -171.7(3) . . . . ?
C3 C2 N1 C1 -1.1(6) . . . . ?
C3 C2 N1 Ag1 170.9(3) . . . . ?
O1 C6 O2 C7 -1.9(5) . . . . ?
C5 C6 O2 C7 179.7(3) . . . . ?
C8 C7 O2 C6 93.9(4) . . . . ?
O4 N2 O3 O4 -142.7(13) . . . 2 ?
O3 N2 O3 O4 117.9(6) 2 . . 2 ?
O4 N2 O4 O3 118.7(5) 2 . . 2 ?
O3 N2 O4 O3 -139.6(9) . . . 2 ?

_refine_diff_density_max         3.259
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.145

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

data_complex1
_database_code_depnum_ccdc_archive 'CCDC 1413538'
_audit_update_record             
;
2015-07-17 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H20 Ag N3 O7, C H4 O'
_chemical_formula_sum            'C29 H24 Ag N3 O8'
_chemical_formula_weight         650.38

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   8.2044(4)
_cell_length_b                   9.4246(4)
_cell_length_c                   16.7815(8)
_cell_angle_alpha                93.942(4)
_cell_angle_beta                 96.876(4)
_cell_angle_gamma                91.701(4)
_cell_volume                     1284.28(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    23307
_cell_measurement_theta_min      1.22
_cell_measurement_theta_max      25.07

_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_F_000             660
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    0.845
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21429
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_av_R_equivalents  0.1374
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.225
_diffrn_reflns_theta_max         24.579
_diffrn_reflns_theta_full        24.579
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4296
_reflns_number_gt                3622
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0902P)²+1.1304P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4296
_refine_ls_number_parameters     371
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0608
_refine_ls_wR_factor_ref         0.1512
_refine_ls_wR_factor_gt          0.1440
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.27567(5) 0.50748(4) 0.97665(2) 0.03838(19) Uani 1 1 d . . . . .
O1 O 0.3487(6) 0.9004(4) 0.6612(3) 0.0524(11) Uani 1 1 d . . . . .
O2 O 0.4117(4) 0.6741(4) 0.6813(2) 0.0313(8) Uani 1 1 d . . . . .
O3 O 0.0882(4) 0.3762(4) 0.2643(2) 0.0311(8) Uani 1 1 d . . . . .
O4 O 0.1695(5) 0.1625(4) 0.3016(2) 0.0449(10) Uani 1 1 d . . . . .
O5 O 0.1396(5) 0.2784(5) 0.8589(3) 0.0537(11) Uani 1 1 d . . . . .
O6 O -0.0959(5) 0.1818(4) 0.8729(3) 0.0444(9) Uani 1 1 d . . . . .
O7 O -0.0280(5) 0.3943(4) 0.9268(3) 0.0465(10) Uani 1 1 d . . . . .
N1 N 0.2545(5) 0.6865(5) 0.9018(3) 0.0323(9) Uani 1 1 d . . . . .
N2 N 0.3027(5) 0.3357(4) 0.0572(3) 0.0332(9) Uani 1 1 d . . . . .
N3 N 0.0053(6) 0.2844(5) 0.8846(3) 0.0375(10) Uani 1 1 d . . . . .
C1 C 0.1814(6) 0.8036(6) 0.9289(3) 0.0345(11) Uani 1 1 d . . . . .
H1 H 0.1428 0.8043 0.9789 0.041 Uiso 1 1 calc R U . . .
C2 C 0.1614(7) 0.9226(6) 0.8854(3) 0.0373(12) Uani 1 1 d . . . . .
H2 H 0.1109 1.0017 0.9060 0.045 Uiso 1 1 calc R U . . .
C3 C 0.2173(7) 0.9228(5) 0.8106(3) 0.0340(11) Uani 1 1 d . . . . .
H3 H 0.2054 1.0016 0.7803 0.041 Uiso 1 1 calc R U . . .
C4 C 0.2917(6) 0.8021(5) 0.7823(3) 0.0291(10) Uani 1 1 d . . . . .
C5 C 0.3087(6) 0.6868(5) 0.8295(3) 0.0307(11) Uani 1 1 d . . . . .
H5 H 0.3594 0.6068 0.8102 0.037 Uiso 1 1 calc R U . . .
C6 C 0.3538(6) 0.8006(5) 0.7019(3) 0.0314(11) Uani 1 1 d . . . . .
C7 C 0.4700(6) 0.6561(5) 0.6017(3) 0.0315(11) Uani 1 1 d . . . . .
H7A H 0.5618 0.5935 0.6047 0.038 Uiso 1 1 calc R U . . .
H7B H 0.5089 0.7478 0.5869 0.038 Uiso 1 1 calc R U . . .
C8 C 0.3376(6) 0.5952(5) 0.5373(3) 0.0270(10) Uani 1 1 d . . . . .
C9 C 0.2791(6) 0.4550(5) 0.5405(3) 0.0286(10) Uani 1 1 d . . . . .
C10 C 0.3321(6) 0.3721(5) 0.6067(3) 0.0309(11) Uani 1 1 d . . . . .
H10 H 0.4063 0.4130 0.6489 0.037 Uiso 1 1 calc R U . . .
C11 C 0.2766(7) 0.2358(5) 0.6094(3) 0.0353(12) Uani 1 1 d . . . . .
H11 H 0.3125 0.1848 0.6533 0.042 Uiso 1 1 calc R U . . .
C12 C 0.1653(7) 0.1709(5) 0.5464(3) 0.0357(12) Uani 1 1 d . . . . .
H12 H 0.1282 0.0774 0.5492 0.043 Uiso 1 1 calc R U . . .
C13 C 0.1112(6) 0.2418(5) 0.4818(3) 0.0321(11) Uani 1 1 d . . . . .
H13 H 0.0373 0.1968 0.4408 0.038 Uiso 1 1 calc R U . . .
C14 C 0.1672(6) 0.3872(5) 0.4757(3) 0.0271(10) Uani 1 1 d . . . . .
C15 C 0.1189(6) 0.4632(5) 0.4076(3) 0.0275(10) Uani 1 1 d . . . . .
C16 C 0.1749(6) 0.6062(5) 0.4043(3) 0.0277(10) Uani 1 1 d . . . . .
C17 C 0.1270(6) 0.6864(5) 0.3366(3) 0.0322(11) Uani 1 1 d . . . . .
H17 H 0.0604 0.6430 0.2924 0.039 Uiso 1 1 calc R U . . .
C18 C 0.1770(7) 0.8244(6) 0.3356(3) 0.0372(12) Uani 1 1 d . . . . .
H18 H 0.1429 0.8750 0.2913 0.045 Uiso 1 1 calc R U . . .
C19 C 0.2805(7) 0.8921(5) 0.4015(3) 0.0382(12) Uani 1 1 d . . . . .
H19 H 0.3133 0.9871 0.4000 0.046 Uiso 1 1 calc R U . . .
C20 C 0.3331(7) 0.8208(5) 0.4670(3) 0.0357(12) Uani 1 1 d . . . . .
H20 H 0.4016 0.8671 0.5096 0.043 Uiso 1 1 calc R U . . .
C21 C 0.2829(6) 0.6738(5) 0.4704(3) 0.0283(10) Uani 1 1 d . . . . .
C22 C 0.0055(6) 0.3967(5) 0.3371(3) 0.0300(10) Uani 1 1 d . . . . .
H22A H -0.0366 0.3053 0.3507 0.036 Uiso 1 1 calc R U . . .
H22B H -0.0871 0.4570 0.3262 0.036 Uiso 1 1 calc R U . . .
C23 C 0.1632(6) 0.2533(5) 0.2551(3) 0.0306(11) Uani 1 1 d . . . . .
C24 C 0.2361(6) 0.2397(5) 0.1775(3) 0.0291(10) Uani 1 1 d . . . . .
C25 C 0.2981(6) 0.1085(5) 0.1540(3) 0.0321(11) Uani 1 1 d . . . . .
H25 H 0.2970 0.0329 0.1868 0.039 Uiso 1 1 calc R U . . .
C26 C 0.3610(6) 0.0936(5) 0.0810(3) 0.0342(11) Uani 1 1 d . . . . .
H26 H 0.4022 0.0075 0.0637 0.041 Uiso 1 1 calc R U . . .
C27 C 0.3616(6) 0.2086(5) 0.0346(3) 0.0325(11) Uani 1 1 d . . . . .
H27 H 0.4043 0.1984 -0.0143 0.039 Uiso 1 1 calc R U . . .
C28 C 0.2404(6) 0.3493(5) 0.1271(3) 0.0312(11) Uani 1 1 d . . . . .
H28 H 0.1982 0.4360 0.1425 0.037 Uiso 1 1 calc R U . . .
O8 O 0.4118(5) 0.7317(5) 0.1100(3) 0.0527(11) Uani 1 1 d . . . . .
H8 H 0.3075 0.7470 0.1157 0.079 Uiso 1 1 d R U . . .
C29 C 0.4808(8) 0.7097(8) 0.1894(4) 0.0525(16) Uani 1 1 d . . . . .
H29A H 0.5926 0.6824 0.1891 0.079 Uiso 1 1 calc R U . . .
H29B H 0.4187 0.6357 0.2100 0.079 Uiso 1 1 calc R U . . .
H29C H 0.4781 0.7961 0.2229 0.079 Uiso 1 1 calc R U . . .


_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 2.170(4) . ?
Ag1 N2 2.179(4) 1_556 ?
O1 C6 1.198(7) . ?
O2 C6 1.336(6) . ?
O2 C7 1.472(6) . ?
O3 C23 1.336(6) . ?
O3 C22 1.472(6) . ?
O4 C23 1.195(7) . ?
O5 N3 1.231(6) . ?
O6 N3 1.245(6) . ?
O7 N3 1.269(6) . ?
N1 C5 1.343(7) . ?
N1 C1 1.349(7) . ?
N2 C28 1.334(7) . ?
N2 C27 1.352(7) . ?
N2 Ag1 2.179(4) 1_554 ?
C1 C2 1.383(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.386(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(7) . ?
C4 C6 1.497(7) . ?
C5 H5 0.9300 . ?
C7 C8 1.507(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.400(7) . ?
C8 C21 1.423(7) . ?
C9 C10 1.434(7) . ?
C9 C14 1.438(7) . ?
C10 C11 1.356(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.405(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.349(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.446(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.412(7) . ?
C15 C16 1.418(7) . ?
C15 C22 1.503(7) . ?
C16 C17 1.430(7) . ?
C16 C21 1.434(7) . ?
C17 C18 1.353(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.413(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.360(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.441(7) . ?
C20 H20 0.9300 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.496(7) . ?
C24 C28 1.382(7) . ?
C24 C25 1.400(7) . ?
C25 C26 1.385(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.378(8) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
O8 C29 1.416(7) . ?
O8 H8 0.8876 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 176.90(15) . 1_556 ?
C6 O2 C7 117.0(4) . . ?
C23 O3 C22 116.0(4) . . ?
C5 N1 C1 117.9(4) . . ?
C5 N1 Ag1 123.6(3) . . ?
C1 N1 Ag1 118.4(3) . . ?
C28 N2 C27 118.4(4) . . ?
C28 N2 Ag1 119.0(3) . 1_554 ?
C27 N2 Ag1 122.1(4) . 1_554 ?
O5 N3 O6 121.1(5) . . ?
O5 N3 O7 119.6(5) . . ?
O6 N3 O7 119.2(5) . . ?
N1 C1 C2 122.6(5) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 119.4(5) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C2 C3 C4 118.2(5) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 H3 120.9 . . ?
C3 C4 C5 119.3(5) . . ?
C3 C4 C6 119.0(4) . . ?
C5 C4 C6 121.7(4) . . ?
N1 C5 C4 122.5(5) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
O1 C6 O2 124.9(5) . . ?
O1 C6 C4 123.7(5) . . ?
O2 C6 C4 111.4(4) . . ?
O2 C7 C8 112.4(4) . . ?
O2 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
O2 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
C9 C8 C21 120.0(5) . . ?
C9 C8 C7 118.9(4) . . ?
C21 C8 C7 120.8(4) . . ?
C8 C9 C10 121.7(5) . . ?
C8 C9 C14 120.7(5) . . ?
C10 C9 C14 117.6(4) . . ?
C11 C10 C9 121.7(5) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 120.5(5) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 C12 C11 121.2(5) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C14 120.6(5) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C15 C14 C9 119.1(4) . . ?
C15 C14 C13 122.4(5) . . ?
C9 C14 C13 118.5(4) . . ?
C14 C15 C16 120.7(4) . . ?
C14 C15 C22 121.5(4) . . ?
C16 C15 C22 117.8(4) . . ?
C15 C16 C17 122.0(5) . . ?
C15 C16 C21 119.6(4) . . ?
C17 C16 C21 118.4(5) . . ?
C18 C17 C16 121.2(5) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 120.4(5) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 121.2(5) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 120.2(5) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C8 C21 C16 119.7(4) . . ?
C8 C21 C20 121.7(5) . . ?
C16 C21 C20 118.5(5) . . ?
O3 C22 C15 112.2(4) . . ?
O3 C22 H22A 109.2 . . ?
C15 C22 H22A 109.2 . . ?
O3 C22 H22B 109.2 . . ?
C15 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
O4 C23 O3 125.0(5) . . ?
O4 C23 C24 123.2(5) . . ?
O3 C23 C24 111.8(4) . . ?
C28 C24 C25 118.8(5) . . ?
C28 C24 C23 122.9(4) . . ?
C25 C24 C23 118.3(4) . . ?
C26 C25 C24 118.7(5) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C27 C26 C25 118.9(4) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
N2 C27 C26 122.6(5) . . ?
N2 C27 H27 118.7 . . ?
C26 C27 H27 118.7 . . ?
N2 C28 C24 122.7(5) . . ?
N2 C28 H28 118.7 . . ?
C24 C28 H28 118.7 . . ?
C29 O8 H8 102.6 . . ?
O8 C29 H29A 109.5 . . ?
O8 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O8 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

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
C5 N1 C1 C2 -0.3(8) . . . . ?
Ag1 N1 C1 C2 -179.6(4) . . . . ?
N1 C1 C2 C3 0.4(8) . . . . ?
C1 C2 C3 C4 0.1(8) . . . . ?
C2 C3 C4 C5 -0.5(8) . . . . ?
C2 C3 C4 C6 -179.7(5) . . . . ?
C1 N1 C5 C4 -0.1(7) . . . . ?
Ag1 N1 C5 C4 179.2(4) . . . . ?
C3 C4 C5 N1 0.5(8) . . . . ?
C6 C4 C5 N1 179.7(4) . . . . ?
C7 O2 C6 O1 -1.4(8) . . . . ?
C7 O2 C6 C4 177.4(4) . . . . ?
C3 C4 C6 O1 3.0(8) . . . . ?
C5 C4 C6 O1 -176.2(5) . . . . ?
C3 C4 C6 O2 -175.9(4) . . . . ?
C5 C4 C6 O2 5.0(7) . . . . ?
C6 O2 C7 C8 -92.7(5) . . . . ?
O2 C7 C8 C9 -67.4(6) . . . . ?
O2 C7 C8 C21 118.2(5) . . . . ?
C21 C8 C9 C10 179.6(4) . . . . ?
C7 C8 C9 C10 5.1(7) . . . . ?
C21 C8 C9 C14 1.8(7) . . . . ?
C7 C8 C9 C14 -172.7(4) . . . . ?
C8 C9 C10 C11 -179.3(5) . . . . ?
C14 C9 C10 C11 -1.4(7) . . . . ?
C9 C10 C11 C12 0.5(8) . . . . ?
C10 C11 C12 C13 0.2(8) . . . . ?
C11 C12 C13 C14 0.2(8) . . . . ?
C8 C9 C14 C15 1.1(7) . . . . ?
C10 C9 C14 C15 -176.8(4) . . . . ?
C8 C9 C14 C13 179.6(4) . . . . ?
C10 C9 C14 C13 1.7(6) . . . . ?
C12 C13 C14 C15 177.3(5) . . . . ?
C12 C13 C14 C9 -1.1(7) . . . . ?
C9 C14 C15 C16 -2.3(7) . . . . ?
C13 C14 C15 C16 179.3(4) . . . . ?
C9 C14 C15 C22 178.5(4) . . . . ?
C13 C14 C15 C22 0.0(7) . . . . ?
C14 C15 C16 C17 -179.4(4) . . . . ?
C22 C15 C16 C17 -0.1(7) . . . . ?
C14 C15 C16 C21 0.6(7) . . . . ?
C22 C15 C16 C21 179.9(4) . . . . ?
C15 C16 C17 C18 177.6(5) . . . . ?
C21 C16 C17 C18 -2.4(7) . . . . ?
C16 C17 C18 C19 1.1(8) . . . . ?
C17 C18 C19 C20 0.3(8) . . . . ?
C18 C19 C20 C21 -0.3(8) . . . . ?
C9 C8 C21 C16 -3.5(7) . . . . ?
C7 C8 C21 C16 170.9(4) . . . . ?
C9 C8 C21 C20 176.5(4) . . . . ?
C7 C8 C21 C20 -9.1(7) . . . . ?
C15 C16 C21 C8 2.3(7) . . . . ?
C17 C16 C21 C8 -177.7(4) . . . . ?
C15 C16 C21 C20 -177.7(4) . . . . ?
C17 C16 C21 C20 2.3(7) . . . . ?
C19 C20 C21 C8 179.0(5) . . . . ?
C19 C20 C21 C16 -1.1(7) . . . . ?
C23 O3 C22 C15 88.4(5) . . . . ?
C14 C15 C22 O3 -113.0(5) . . . . ?
C16 C15 C22 O3 67.7(5) . . . . ?
C22 O3 C23 O4 -1.2(7) . . . . ?
C22 O3 C23 C24 177.2(4) . . . . ?
O4 C23 C24 C28 -174.5(5) . . . . ?
O3 C23 C24 C28 7.0(7) . . . . ?
O4 C23 C24 C25 7.4(8) . . . . ?
O3 C23 C24 C25 -171.0(4) . . . . ?
C28 C24 C25 C26 -0.2(7) . . . . ?
C23 C24 C25 C26 178.0(4) . . . . ?
C24 C25 C26 C27 0.6(7) . . . . ?
C28 N2 C27 C26 -0.5(8) . . . . ?
Ag1 N2 C27 C26 -172.0(4) 1_554 . . . ?
C25 C26 C27 N2 -0.2(8) . . . . ?
C27 N2 C28 C24 1.0(7) . . . . ?
Ag1 N2 C28 C24 172.7(4) 1_554 . . . ?
C25 C24 C28 N2 -0.6(8) . . . . ?
C23 C24 C28 N2 -178.7(5) . . . . ?

_refine_diff_density_max         1.541
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.153

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

data_L1@173K
_database_code_depnum_ccdc_archive 'CCDC 1413537'
_audit_update_record             
;
2015-07-17 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'anthracene-9,10-diylbil(methylene) dinicotinate'
_chemical_name_common            ?
_chemical_formula_moiety         'C28 H20 N2 O4'
_chemical_formula_sum            'C28 H20 N2 O4'
_chemical_melting_point          ?

_exptl_crystal_description       needle
_exptl_crystal_colour            Yellow
_diffrn_ambient_temperature      173(2)
_chemical_formula_weight         448.46

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   4.8200(5)
_cell_length_b                   9.3530(10)
_cell_length_c                   11.7820(12)
_cell_angle_alpha                99.589(8)
_cell_angle_beta                 99.411(8)
_cell_angle_gamma                90.265(8)
_cell_volume                     516.40(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    2610
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      27.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_F_000             234
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    0.098
_shelx_estimated_absorpt_T_min   0.964
_shelx_estimated_absorpt_T_max   0.984
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3568
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.778
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_full        24.995
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measured_fraction_theta_full 0.953
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_Laue_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_point_group_measured_fraction_full 0.953
_reflns_number_total             1735
_reflns_number_gt                1101
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0452P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1735
_refine_ls_number_parameters     154
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.0971
_refine_ls_wR_factor_gt          0.0879
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      0.986
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.7620(3) 0.25122(16) 0.79707(13) 0.0243(4) Uani 1 1 d . . . . .
O2 O 0.5736(4) 0.07680(18) 0.64840(14) 0.0346(5) Uani 1 1 d . . . . .
C3 C 1.0752(5) 0.2353(2) 0.4335(2) 0.0265(6) Uani 1 1 d . . . . .
H3 H 1.0734 0.1938 0.3541 0.032 Uiso 1 1 calc R U . . .
C2 C 1.2526(5) 0.3516(2) 0.4864(2) 0.0271(6) Uani 1 1 d . . . . .
H2 H 1.3708 0.3894 0.4406 0.033 Uiso 1 1 calc R U . . .
N1 N 1.2698(4) 0.4150(2) 0.59814(18) 0.0286(5) Uani 1 1 d . . . . .
C1 C 1.0996(5) 0.3592(2) 0.6600(2) 0.0241(6) Uani 1 1 d . . . . .
H1 H 1.1072 0.4020 0.7395 0.029 Uiso 1 1 calc R U . . .
C5 C 0.9129(5) 0.2426(2) 0.61473(19) 0.0209(5) Uani 1 1 d . . . . .
C4 C 0.8991(5) 0.1802(2) 0.4989(2) 0.0248(6) Uani 1 1 d . . . . .
H4 H 0.7715 0.1011 0.4649 0.030 Uiso 1 1 calc R U . . .
C6 C 0.7311(5) 0.1802(2) 0.6856(2) 0.0224(6) Uani 1 1 d . . . . .
C7 C 0.6164(5) 0.1859(2) 0.8758(2) 0.0244(6) Uani 1 1 d . . . . .
H7A H 0.4487 0.1290 0.8307 0.029 Uiso 1 1 calc R U . . .
H7B H 0.5526 0.2630 0.9332 0.029 Uiso 1 1 calc R U . . .
C13 C 1.0784(5) 0.3076(2) 1.0526(2) 0.0244(6) Uani 1 1 d . . . . .
H13 H 0.9538 0.3678 1.0123 0.029 Uiso 1 1 calc R U . . .
C14 C 1.0360(5) 0.1528(2) 1.02419(19) 0.0204(5) Uani 1 1 d . . . . .
C8 C 0.8113(5) 0.0879(2) 0.93887(18) 0.0204(5) Uani 1 1 d . . . . .
C9 C 0.7714(5) -0.0642(2) 0.91355(19) 0.0205(5) Uani 1 1 d . . . . .
C10 C 0.5484(5) -0.1373(2) 0.82775(19) 0.0246(6) Uani 1 1 d . . . . .
H10 H 0.4175 -0.0809 0.7863 0.030 Uiso 1 1 calc R U . . .
C11 C 0.5171(5) -0.2832(2) 0.8036(2) 0.0261(6) Uani 1 1 d . . . . .
H11 H 0.3670 -0.3278 0.7458 0.031 Uiso 1 1 calc R U . . .
C12 C 0.7074(5) -0.3693(3) 0.8642(2) 0.0272(6) Uani 1 1 d . . . . .
H12 H 0.6852 -0.4720 0.8466 0.033 Uiso 1 1 calc R U . . .


_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
O1 C6 1.354(3) . ?
O1 C7 1.458(3) . ?
O2 C6 1.203(3) . ?
C3 C2 1.376(3) . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C2 N1 1.340(3) . ?
C2 H2 0.9500 . ?
N1 C1 1.340(3) . ?
C1 C5 1.387(3) . ?
C1 H1 0.9500 . ?
C5 C4 1.383(3) . ?
C5 C6 1.484(3) . ?
C4 H4 0.9500 . ?
C7 C8 1.510(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C13 C12 1.355(3) 2_757 ?
C13 C14 1.436(3) . ?
C13 H13 0.9500 . ?
C14 C8 1.410(3) . ?
C14 C9 1.440(3) 2_757 ?
C8 C9 1.410(3) . ?
C9 C10 1.433(3) . ?
C9 C14 1.440(3) 2_757 ?
C10 C11 1.350(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.408(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.355(3) 2_757 ?
C12 H12 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 O1 C7 116.14(17) . . ?
C2 C3 C4 118.4(2) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
N1 C2 C3 124.3(2) . . ?
N1 C2 H2 117.8 . . ?
C3 C2 H2 117.8 . . ?
C1 N1 C2 116.3(2) . . ?
N1 C1 C5 123.8(2) . . ?
N1 C1 H1 118.1 . . ?
C5 C1 H1 118.1 . . ?
C4 C5 C1 118.5(2) . . ?
C4 C5 C6 118.5(2) . . ?
C1 C5 C6 122.9(2) . . ?
C5 C4 C3 118.6(2) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
O2 C6 O1 123.3(2) . . ?
O2 C6 C5 123.7(2) . . ?
O1 C6 C5 112.98(19) . . ?
O1 C7 C8 109.9(2) . . ?
O1 C7 H7A 109.7 . . ?
C8 C7 H7A 109.7 . . ?
O1 C7 H7B 109.7 . . ?
C8 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
C12 C13 C14 121.2(2) 2_757 . ?
C12 C13 H13 119.4 2_757 . ?
C14 C13 H13 119.4 . . ?
C8 C14 C13 121.5(2) . . ?
C8 C14 C9 120.28(19) . 2_757 ?
C13 C14 C9 118.2(2) . 2_757 ?
C14 C8 C9 120.6(2) . . ?
C14 C8 C7 118.10(19) . . ?
C9 C8 C7 121.3(2) . . ?
C8 C9 C10 123.5(2) . . ?
C8 C9 C14 119.1(2) . 2_757 ?
C10 C9 C14 117.4(2) . 2_757 ?
C11 C10 C9 122.5(2) . . ?
C11 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
C10 C11 C12 119.9(2) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C13 C12 C11 120.9(2) 2_757 . ?
C13 C12 H12 119.6 2_757 . ?
C11 C12 H12 119.6 . . ?

_refine_diff_density_max         0.209
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.052

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_h-m   'P -1'
_symmetry_int_tables_number      2
_chemical_absolute_configuration .

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

data_AgNO3_dinicoAnthra_Ethanol
_database_code_depnum_ccdc_archive 'CCDC 1547595'
_audit_update_record             
;
2017-05-03 deposited with the CCDC.
2017-07-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C28 H20 Ag N2 O4, N O3, C2 H6 O'
_chemical_formula_sum            'C30 H26 Ag N3 O8'
_exptl_crystal_recrystallization_method 'DCM and Ethanol'
_chemical_melting_point          ?

_exptl_crystal_description       'square plate'
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      250(2)
_chemical_formula_weight         664.41

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   8.331(3)
_cell_length_b                   12.208(4)
_cell_length_c                   14.076(4)
_cell_angle_alpha                97.35(2)
_cell_angle_beta                 105.78(3)
_cell_angle_gamma                97.30(3)
_cell_volume                     1346.5(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    250(2)
_cell_measurement_reflns_used    5104
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      25.63
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_F_000             676
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    0.808
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8049
_exptl_absorpt_correction_T_max  0.9888
_exptl_absorpt_process_details   
;
Stoe & Cie (2002). X-SHAPE. Stoe & Cie, Darmstadt, Germany
;
_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17261
_diffrn_reflns_av_unetI/netI     0.1127
_diffrn_reflns_av_R_equivalents  0.1309
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.707
_diffrn_reflns_theta_max         25.326
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             4784
_reflns_number_gt                1993
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0498P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4784
_refine_ls_number_parameters     381
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.1428
_refine_ls_R_factor_gt           0.0499
_refine_ls_wR_factor_ref         0.1268
_refine_ls_wR_factor_gt          0.0959
_refine_ls_goodness_of_fit_ref   0.868
_refine_ls_restrained_S_all      0.871
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.23866(10) -0.01744(5) -0.01467(4) 0.1046(3) Uani 1 1 d . . . . .
O2 O 0.6959(5) 0.2119(3) 0.3248(2) 0.0531(11) Uani 1 1 d . . . . .
O3 O 0.7659(5) 0.7750(3) 0.6331(2) 0.0544(11) Uani 1 1 d . . . . .
O1 O 0.7077(6) 0.1329(3) 0.4609(3) 0.0761(15) Uani 1 1 d . . . . .
O4 O 0.7675(6) 0.8665(3) 0.5062(3) 0.0799(15) Uani 1 1 d . . . . .
N2 N 1.1407(7) 1.0071(4) 0.8320(3) 0.0617(15) Uani 1 1 d . . . . .
N1 N 0.3159(7) -0.0264(4) 0.1433(3) 0.0658(15) Uani 1 1 d . . . . .
C5 C 0.5088(7) 0.0468(4) 0.3064(4) 0.0452(14) Uani 1 1 d . . . . .
C8 C 0.7887(7) 0.3987(4) 0.4292(4) 0.0464(15) Uani 1 1 d . . . . .
C9 C 0.8299(7) 0.4245(4) 0.5339(4) 0.0467(15) Uani 1 1 d . . . . .
C15 C 0.6931(7) 0.5925(4) 0.5182(4) 0.0500(16) Uani 1 1 d . . . . .
C24 C 0.9550(7) 0.9435(4) 0.6672(4) 0.0453(15) Uani 1 1 d . . . . .
C6 C 0.6473(7) 0.1325(4) 0.3733(4) 0.0475(15) Uani 1 1 d . . . . .
C1 C 0.4378(8) 0.0536(4) 0.2063(4) 0.0557(17) Uani 1 1 d . . . . .
H1 H 0.4766 0.1166 0.1816 0.067 Uiso 1 1 calc R U . . .
C25 C 1.0167(8) 1.0401(4) 0.6382(4) 0.0523(16) Uani 1 1 d . . . . .
H25 H 0.9732 1.0521 0.5721 0.063 Uiso 1 1 calc R U . . .
C28 C 1.0207(8) 0.9302(5) 0.7650(4) 0.0549(16) Uani 1 1 d . . . . .
H28 H 0.9799 0.8647 0.7857 0.066 Uiso 1 1 calc R U . . .
C14 C 0.7789(7) 0.5226(4) 0.5784(4) 0.0496(16) Uani 1 1 d . . . . .
C16 C 0.6568(7) 0.5680(4) 0.4133(4) 0.0508(16) Uani 1 1 d . . . . .
N3 N 0.3796(11) -0.2446(6) -0.0243(5) 0.090(2) Uani 1 1 d . U . . .
C10 C 0.9176(8) 0.3576(5) 0.6001(4) 0.0575(17) Uani 1 1 d . . . . .
H10 H 0.9493 0.2922 0.5729 0.069 Uiso 1 1 calc R U . . .
C4 C 0.4483(8) -0.0451(4) 0.3414(4) 0.0533(16) Uani 1 1 d . . . . .
H4 H 0.4925 -0.0523 0.4088 0.064 Uiso 1 1 calc R U . . .
C23 C 0.8214(8) 0.8594(4) 0.5939(4) 0.0509(15) Uani 1 1 d . . . . .
C21 C 0.7043(7) 0.4681(5) 0.3687(4) 0.0497(16) Uani 1 1 d . . . . .
C26 C 1.1410(8) 1.1182(4) 0.7055(4) 0.0566(17) Uani 1 1 d . . . . .
H26 H 1.1850 1.1839 0.6863 0.068 Uiso 1 1 calc R U . . .
C12 C 0.9063(9) 0.4812(5) 0.7444(4) 0.0656(19) Uani 1 1 d . . . . .
H12 H 0.9321 0.4995 0.8144 0.079 Uiso 1 1 calc R U . . .
C13 C 0.8214(8) 0.5464(5) 0.6854(4) 0.0577(17) Uani 1 1 d . . . . .
H13 H 0.7889 0.6097 0.7156 0.069 Uiso 1 1 calc R U . . .
C2 C 0.2602(8) -0.1144(4) 0.1801(4) 0.0596(17) Uani 1 1 d . . . . .
H2 H 0.1739 -0.1704 0.1369 0.071 Uiso 1 1 calc R U . . .
C27 C 1.2010(8) 1.0985(5) 0.8028(4) 0.0632(18) Uani 1 1 d . . . . .
H27 H 1.2871 1.1517 0.8494 0.076 Uiso 1 1 calc R U . . .
C17 C 0.5754(8) 0.6365(5) 0.3481(4) 0.0602(18) Uani 1 1 d . . . . .
H17 H 0.5464 0.7026 0.3760 0.072 Uiso 1 1 calc R U . . .
C3 C 0.3231(8) -0.1264(5) 0.2772(4) 0.0577(17) Uani 1 1 d . . . . .
H3 H 0.2811 -0.1898 0.3003 0.069 Uiso 1 1 calc R U . . .
C7 C 0.8413(8) 0.2989(4) 0.3803(4) 0.0571(17) Uani 1 1 d . . . . .
H7A H 0.9032 0.3225 0.3342 0.069 Uiso 1 1 calc R U . . .
H7B H 0.9182 0.2675 0.4317 0.069 Uiso 1 1 calc R U . . .
C19 C 0.5814(9) 0.5125(6) 0.2038(5) 0.072(2) Uani 1 1 d . . . . .
H19 H 0.5533 0.4939 0.1337 0.087 Uiso 1 1 calc R U . . .
C22 C 0.6295(8) 0.6877(4) 0.5680(4) 0.0582(17) Uani 1 1 d . . . . .
H22A H 0.5575 0.7212 0.5161 0.070 Uiso 1 1 calc R U . . .
H22B H 0.5597 0.6579 0.6078 0.070 Uiso 1 1 calc R U . . .
C11 C 0.9563(8) 0.3857(5) 0.7010(5) 0.0633(19) Uani 1 1 d . . . . .
H11 H 1.0172 0.3411 0.7424 0.076 Uiso 1 1 calc R U . . .
C20 C 0.6639(8) 0.4439(5) 0.2617(4) 0.0644(19) Uani 1 1 d . . . . .
H20 H 0.6946 0.3800 0.2312 0.077 Uiso 1 1 calc R U . . .
C18 C 0.5374(9) 0.6107(6) 0.2467(5) 0.073(2) Uani 1 1 d . . . . .
H18 H 0.4824 0.6579 0.2057 0.088 Uiso 1 1 calc R U . . .
O5 O 0.4780(9) -0.1596(6) -0.0184(5) 0.131(2) Uani 1 1 d . U . . .
O6 O 0.2386(10) -0.2499(7) -0.0796(6) 0.168(3) Uani 1 1 d . U . . .
C30 C -0.1232(16) -0.3710(6) 0.0256(7) 0.142(4) Uani 1 1 d . U . . .
H30A H -0.0005 -0.3598 0.0473 0.213 Uiso 1 1 calc R U . . .
H30B H -0.1675 -0.4494 -0.0022 0.213 Uiso 1 1 calc R U . . .
H30C H -0.1640 -0.3495 0.0825 0.213 Uiso 1 1 calc R U . . .
O8 O -0.0967(15) -0.2052(6) -0.0544(7) 0.189(4) Uani 1 1 d . U . . .
H8 H -0.0181 -0.2166 -0.0781 0.284 Uiso 1 1 calc R U . . .
O7 O 0.4311(16) -0.3134(7) 0.0188(6) 0.209(5) Uani 1 1 d . U . . .
C29 C -0.1862(13) -0.2949(9) -0.0591(7) 0.124(3) Uani 1 1 d . U . . .
H29A H -0.2013 -0.3402 -0.1246 0.149 Uiso 1 1 calc R U . . .
H29B H -0.2980 -0.2794 -0.0573 0.149 Uiso 1 1 calc R U . . .


_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 2.161(5) . ?
Ag1 N2 2.165(4) 1_444 ?
O2 C6 1.338(6) . ?
O2 C7 1.467(6) . ?
O3 C23 1.321(6) . ?
O3 C22 1.463(6) . ?
O1 C6 1.198(6) . ?
O4 C23 1.212(6) . ?
N2 C27 1.324(7) . ?
N2 C28 1.338(6) . ?
N2 Ag1 2.165(4) 1_666 ?
N1 C2 1.336(7) . ?
N1 C1 1.344(6) . ?
C5 C4 1.374(7) . ?
C5 C1 1.390(7) . ?
C5 C6 1.470(7) . ?
C8 C21 1.396(8) . ?
C8 C9 1.403(7) . ?
C8 C7 1.496(8) . ?
C9 C10 1.430(8) . ?
C9 C14 1.446(8) . ?
C15 C14 1.402(8) . ?
C15 C16 1.408(8) . ?
C15 C22 1.507(9) . ?
C24 C28 1.376(7) . ?
C24 C25 1.380(7) . ?
C24 C23 1.473(7) . ?
C1 H1 0.9400 . ?
C25 C26 1.365(7) . ?
C25 H25 0.9400 . ?
C28 H28 0.9400 . ?
C14 C13 1.432(8) . ?
C16 C17 1.416(8) . ?
C16 C21 1.449(9) . ?
N3 O7 1.157(9) . ?
N3 O6 1.208(9) . ?
N3 O5 1.217(8) . ?
C10 C11 1.355(8) . ?
C10 H10 0.9400 . ?
C4 C3 1.373(7) . ?
C4 H4 0.9400 . ?
C21 C20 1.433(8) . ?
C26 C27 1.388(8) . ?
C26 H26 0.9400 . ?
C12 C13 1.347(8) . ?
C12 C11 1.410(9) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C2 C3 1.359(7) . ?
C2 H2 0.9400 . ?
C27 H27 0.9400 . ?
C17 C18 1.361(8) . ?
C17 H17 0.9400 . ?
C3 H3 0.9400 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C19 C20 1.361(9) . ?
C19 C18 1.408(10) . ?
C19 H19 0.9400 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C11 H11 0.9400 . ?
C20 H20 0.9400 . ?
C18 H18 0.9400 . ?
C30 C29 1.621(13) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
O8 C29 1.227(9) . ?
O8 H8 0.8300 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?

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 N2 172.4(2) . 1_444 ?
C6 O2 C7 117.8(4) . . ?
C23 O3 C22 118.3(4) . . ?
C27 N2 C28 119.0(5) . . ?
C27 N2 Ag1 120.1(4) . 1_666 ?
C28 N2 Ag1 120.9(3) . 1_666 ?
C2 N1 C1 117.9(5) . . ?
C2 N1 Ag1 122.5(4) . . ?
C1 N1 Ag1 119.2(4) . . ?
C4 C5 C1 117.7(5) . . ?
C4 C5 C6 120.2(5) . . ?
C1 C5 C6 122.0(5) . . ?
C21 C8 C9 120.8(5) . . ?
C21 C8 C7 118.6(5) . . ?
C9 C8 C7 120.5(5) . . ?
C8 C9 C10 123.6(6) . . ?
C8 C9 C14 118.9(5) . . ?
C10 C9 C14 117.5(5) . . ?
C14 C15 C16 120.1(6) . . ?
C14 C15 C22 118.3(5) . . ?
C16 C15 C22 121.4(6) . . ?
C28 C24 C25 118.0(5) . . ?
C28 C24 C23 122.4(5) . . ?
C25 C24 C23 119.6(5) . . ?
O1 C6 O2 123.8(5) . . ?
O1 C6 C5 124.5(5) . . ?
O2 C6 C5 111.7(4) . . ?
N1 C1 C5 122.7(5) . . ?
N1 C1 H1 118.7 . . ?
C5 C1 H1 118.7 . . ?
C26 C25 C24 120.0(5) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
N2 C28 C24 122.4(5) . . ?
N2 C28 H28 118.8 . . ?
C24 C28 H28 118.8 . . ?
C15 C14 C13 121.6(6) . . ?
C15 C14 C9 120.7(5) . . ?
C13 C14 C9 117.7(5) . . ?
C15 C16 C17 123.2(6) . . ?
C15 C16 C21 119.2(5) . . ?
C17 C16 C21 117.6(5) . . ?
O7 N3 O6 126.8(10) . . ?
O7 N3 O5 117.7(10) . . ?
O6 N3 O5 115.3(9) . . ?
C11 C10 C9 121.9(6) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C3 C4 C5 119.6(5) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
O4 C23 O3 123.0(5) . . ?
O4 C23 C24 123.7(5) . . ?
O3 C23 C24 113.3(4) . . ?
C8 C21 C20 121.4(6) . . ?
C8 C21 C16 120.3(5) . . ?
C20 C21 C16 118.2(6) . . ?
C25 C26 C27 118.5(5) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C13 C12 C11 119.9(6) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 122.4(6) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
N1 C2 C3 122.7(5) . . ?
N1 C2 H2 118.6 . . ?
C3 C2 H2 118.6 . . ?
N2 C27 C26 122.0(5) . . ?
N2 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C18 C17 C16 122.7(7) . . ?
C18 C17 H17 118.6 . . ?
C16 C17 H17 118.6 . . ?
C2 C3 C4 119.4(5) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
O2 C7 C8 112.0(5) . . ?
O2 C7 H7A 109.2 . . ?
C8 C7 H7A 109.2 . . ?
O2 C7 H7B 109.2 . . ?
C8 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C20 C19 C18 121.4(6) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
O3 C22 C15 113.1(5) . . ?
O3 C22 H22A 109.0 . . ?
C15 C22 H22A 109.0 . . ?
O3 C22 H22B 109.0 . . ?
C15 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C10 C11 C12 120.6(6) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C19 C20 C21 120.7(7) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C17 C18 C19 119.3(7) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 O8 H8 109.5 . . ?
O8 C29 C30 118.3(9) . . ?
O8 C29 H29A 107.7 . . ?
C30 C29 H29A 107.7 . . ?
O8 C29 H29B 107.7 . . ?
C30 C29 H29B 107.7 . . ?
H29A C29 H29B 107.1 . . ?

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
C21 C8 C9 C10 -179.4(5) . . . . ?
C7 C8 C9 C10 -2.1(8) . . . . ?
C21 C8 C9 C14 1.8(7) . . . . ?
C7 C8 C9 C14 179.1(5) . . . . ?
C7 O2 C6 O1 5.6(9) . . . . ?
C7 O2 C6 C5 -175.8(5) . . . . ?
C4 C5 C6 O1 -5.1(10) . . . . ?
C1 C5 C6 O1 176.7(6) . . . . ?
C4 C5 C6 O2 176.2(5) . . . . ?
C1 C5 C6 O2 -1.9(8) . . . . ?
C2 N1 C1 C5 1.1(10) . . . . ?
Ag1 N1 C1 C5 -172.0(5) . . . . ?
C4 C5 C1 N1 -1.0(10) . . . . ?
C6 C5 C1 N1 177.2(6) . . . . ?
C28 C24 C25 C26 0.9(9) . . . . ?
C23 C24 C25 C26 -179.7(6) . . . . ?
C27 N2 C28 C24 -1.3(10) . . . . ?
Ag1 N2 C28 C24 179.6(5) 1_666 . . . ?
C25 C24 C28 N2 0.1(10) . . . . ?
C23 C24 C28 N2 -179.2(6) . . . . ?
C16 C15 C14 C13 178.5(5) . . . . ?
C22 C15 C14 C13 -6.3(8) . . . . ?
C16 C15 C14 C9 -0.5(8) . . . . ?
C22 C15 C14 C9 174.7(4) . . . . ?
C8 C9 C14 C15 -1.4(8) . . . . ?
C10 C9 C14 C15 179.7(5) . . . . ?
C8 C9 C14 C13 179.5(5) . . . . ?
C10 C9 C14 C13 0.6(7) . . . . ?
C14 C15 C16 C17 -178.0(5) . . . . ?
C22 C15 C16 C17 7.0(8) . . . . ?
C14 C15 C16 C21 2.0(8) . . . . ?
C22 C15 C16 C21 -173.0(5) . . . . ?
C8 C9 C10 C11 179.4(6) . . . . ?
C14 C9 C10 C11 -1.7(8) . . . . ?
C1 C5 C4 C3 0.6(9) . . . . ?
C6 C5 C4 C3 -177.7(6) . . . . ?
C22 O3 C23 O4 -1.8(9) . . . . ?
C22 O3 C23 C24 178.3(5) . . . . ?
C28 C24 C23 O4 -176.2(7) . . . . ?
C25 C24 C23 O4 4.5(10) . . . . ?
C28 C24 C23 O3 3.8(9) . . . . ?
C25 C24 C23 O3 -175.6(5) . . . . ?
C9 C8 C21 C20 179.0(5) . . . . ?
C7 C8 C21 C20 1.6(8) . . . . ?
C9 C8 C21 C16 -0.3(8) . . . . ?
C7 C8 C21 C16 -177.7(5) . . . . ?
C15 C16 C21 C8 -1.6(8) . . . . ?
C17 C16 C21 C8 178.4(5) . . . . ?
C15 C16 C21 C20 179.1(5) . . . . ?
C17 C16 C21 C20 -1.0(8) . . . . ?
C24 C25 C26 C27 -0.8(10) . . . . ?
C11 C12 C13 C14 -0.1(9) . . . . ?
C15 C14 C13 C12 -178.8(6) . . . . ?
C9 C14 C13 C12 0.2(8) . . . . ?
C1 N1 C2 C3 -0.8(10) . . . . ?
Ag1 N1 C2 C3 172.1(5) . . . . ?
C28 N2 C27 C26 1.5(10) . . . . ?
Ag1 N2 C27 C26 -179.4(5) 1_666 . . . ?
C25 C26 C27 N2 -0.4(10) . . . . ?
C15 C16 C17 C18 -178.4(6) . . . . ?
C21 C16 C17 C18 1.6(9) . . . . ?
N1 C2 C3 C4 0.4(10) . . . . ?
C5 C4 C3 C2 -0.3(10) . . . . ?
C6 O2 C7 C8 -91.4(6) . . . . ?
C21 C8 C7 O2 -70.3(6) . . . . ?
C9 C8 C7 O2 112.3(6) . . . . ?
C23 O3 C22 C15 90.7(6) . . . . ?
C14 C15 C22 O3 67.6(6) . . . . ?
C16 C15 C22 O3 -117.3(5) . . . . ?
C9 C10 C11 C12 2.0(9) . . . . ?
C13 C12 C11 C10 -1.0(9) . . . . ?
C18 C19 C20 C21 1.8(9) . . . . ?
C8 C21 C20 C19 180.0(6) . . . . ?
C16 C21 C20 C19 -0.7(8) . . . . ?
C16 C17 C18 C19 -0.6(10) . . . . ?
C20 C19 C18 C17 -1.2(10) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O8 H8 O6 0.83 2.23 3.017(15) 157.8 .

_refine_diff_density_max         0.609
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.070

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_h-m   'P -1'
_symmetry_int_tables_number      2
_chemical_absolute_configuration .

