# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 996125'
_audit_update_record             
;
2014-07-07 deposited with the CCDC.
2016-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H60 Ag2 N10 O6'
_chemical_formula_weight         1136.84

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   11.555(4)
_cell_length_b                   10.932(4)
_cell_length_c                   20.204(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.210(3)
_cell_angle_gamma                90.00
_cell_volume                     2550.1(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    0.827
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16884
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         25.50
_reflns_number_total             4715
_reflns_number_gt                4290
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0402P)²+1.2979P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4715
_refine_ls_number_parameters     320
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0799
_refine_ls_wR_factor_gt          0.0775
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.077
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.598291(15) 0.854503(18) 0.036049(9) 0.04731(9) Uani 1 1 d U . .
C12 C 0.41204(18) 0.64209(19) 0.00392(11) 0.0355(5) Uani 1 1 d . . .
N1 N 0.92024(15) 1.06254(17) 0.06730(9) 0.0354(4) Uani 1 1 d . . .
C2 C 0.80466(18) 1.0460(2) 0.05446(10) 0.0353(5) Uani 1 1 d . . .
C5 C 0.96202(18) 0.9542(2) 0.09375(10) 0.0352(5) Uani 1 1 d . . .
O2 O 0.54963(17) 0.96098(19) -0.07054(9) 0.0586(5) Uani 1 1 d U . .
C10 C 0.86687(19) 0.8753(2) 0.09518(10) 0.0358(5) Uani 1 1 d . . .
N2 N 0.76874(15) 0.93607(17) 0.07047(9) 0.0369(4) Uani 1 1 d . . .
N4 N 0.48489(15) 0.69202(17) 0.04836(9) 0.0372(4) Uani 1 1 d . . .
N3 N 0.36073(15) 0.53968(17) 0.02716(10) 0.0386(4) Uani 1 1 d . . .
C20 C 0.4810(2) 0.6175(2) 0.10399(12) 0.0409(5) Uani 1 1 d . . .
O3 O 0.7005(2) 0.8426(2) -0.08419(11) 0.0697(6) Uani 1 1 d . . .
C15 C 0.4033(2) 0.5221(2) 0.09132(12) 0.0413(5) Uani 1 1 d . . .
C7 C 1.0862(2) 0.7986(3) 0.13482(12) 0.0507(6) Uani 1 1 d . . .
H7 H 1.1595 0.7704 0.1479 0.061 Uiso 1 1 calc R . .
C6 C 1.0731(2) 0.9174(2) 0.11366(11) 0.0442(5) Uani 1 1 d . . .
H6 H 1.1357 0.9708 0.1127 0.053 Uiso 1 1 calc R . .
C21 C 0.6298(2) 0.9212(2) -0.10424(12) 0.0444(5) Uani 1 1 d . . .
C3 C 0.9887(2) 1.1744(2) 0.06007(12) 0.0443(5) Uani 1 1 d . . .
H3A H 0.9520 1.2255 0.0261 0.053 Uiso 1 1 calc R . .
H3B H 1.0652 1.1528 0.0456 0.053 Uiso 1 1 calc R . .
C8 C 0.9920(2) 0.7194(3) 0.13707(13) 0.0530(6) Uani 1 1 d . . .
H8 H 1.0039 0.6398 0.1521 0.064 Uiso 1 1 calc R . .
C9 C 0.8815(2) 0.7559(2) 0.11754(12) 0.0459(6) Uani 1 1 d . . .
H9 H 0.8190 0.7024 0.1193 0.055 Uiso 1 1 calc R . .
C19 C 0.5410(3) 0.6253(3) 0.16513(13) 0.0542(6) Uani 1 1 d . . .
H19 H 0.5935 0.6880 0.1745 0.065 Uiso 1 1 calc R . .
C22 C 0.6439(2) 0.9715(3) -0.17316(13) 0.0531(6) Uani 1 1 d . . .
C16 C 0.3820(3) 0.4314(3) 0.13791(15) 0.0563(7) Uani 1 1 d . . .
H16 H 0.3302 0.3679 0.1290 0.068 Uiso 1 1 calc R . .
C17 C 0.4415(3) 0.4412(3) 0.19735(15) 0.0660(8) Uani 1 1 d . . .
H17 H 0.4300 0.3824 0.2297 0.079 Uiso 1 1 calc R . .
C24 C 0.6019(4) 1.0870(4) -0.1876(2) 0.0964(13) Uani 1 1 d . . .
H24A H 0.6104 1.1201 -0.2295 0.116 Uiso 1 1 calc R . .
H24B H 0.5651 1.1317 -0.1554 0.116 Uiso 1 1 calc R . .
C18 C 0.5187(3) 0.5359(3) 0.21111(14) 0.0676(8) Uani 1 1 d . . .
H18 H 0.5565 0.5392 0.2525 0.081 Uiso 1 1 calc R . .
C23 C 0.7006(3) 0.8987(4) -0.21957(16) 0.0787(10) Uani 1 1 d . . .
H23A H 0.7074 0.9437 -0.2600 0.118 Uiso 1 1 calc R . .
H23B H 0.6566 0.8256 -0.2282 0.118 Uiso 1 1 calc R . .
H23C H 0.7764 0.8774 -0.2021 0.118 Uiso 1 1 calc R . .
O1 O 0.72392(13) 1.24391(15) 0.06680(8) 0.0407(4) Uani 1 1 d . . .
C11 C 0.3851(2) 0.6946(2) -0.06308(12) 0.0411(5) Uani 1 1 d . . .
H11A H 0.4457 0.7517 -0.0740 0.049 Uiso 1 1 calc R . .
H11B H 0.3845 0.6293 -0.0956 0.049 Uiso 1 1 calc R . .
C1 C 0.7267(2) 1.1405(2) 0.02384(12) 0.0415(5) Uani 1 1 d . . .
H1A H 0.7549 1.1648 -0.0188 0.050 Uiso 1 1 calc R . .
H1B H 0.6493 1.1075 0.0170 0.050 Uiso 1 1 calc R . .
C13 C 0.2730(2) 0.4635(2) -0.00677(15) 0.0504(6) Uani 1 1 d . . .
H13A H 0.2861 0.3786 0.0054 0.060 Uiso 1 1 calc R . .
H13B H 0.2809 0.4706 -0.0542 0.060 Uiso 1 1 calc R . .
C4 C 1.0008(3) 1.2462(3) 0.12359(14) 0.0614(7) Uani 1 1 d . . .
H4A H 0.9257 1.2718 0.1368 0.092 Uiso 1 1 calc R . .
H4B H 1.0483 1.3168 0.1169 0.092 Uiso 1 1 calc R . .
H4C H 1.0362 1.1957 0.1576 0.092 Uiso 1 1 calc R . .
C14 C 0.1524(2) 0.4990(3) 0.0101(2) 0.0757(10) Uani 1 1 d . . .
H14A H 0.1461 0.4987 0.0574 0.114 Uiso 1 1 calc R . .
H14B H 0.0983 0.4417 -0.0095 0.114 Uiso 1 1 calc R . .
H14C H 0.1357 0.5795 -0.0067 0.114 Uiso 1 1 calc R . .
C25 C 0.3382(4) 0.8872(5) 0.79034(19) 0.0999(13) Uani 1 1 d . . .
H25A H 0.3797 0.8218 0.7703 0.150 Uiso 1 1 calc R . .
H25B H 0.2645 0.8577 0.8039 0.150 Uiso 1 1 calc R . .
H25C H 0.3821 0.9172 0.8283 0.150 Uiso 1 1 calc R . .
C26 C 0.3209(4) 0.9822(6) 0.7444(3) 0.1174(17) Uani 1 1 d . . .
N5 N 0.3087(5) 1.0569(7) 0.7077(4) 0.235(4) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.2268(19) . ?
Ag1 N2 2.2476(19) . ?
Ag1 O2 2.493(2) . ?
C12 N4 1.325(3) . ?
C12 N3 1.359(3) . ?
C12 C11 1.492(3) . ?
N1 C2 1.363(3) . ?
N1 C5 1.379(3) . ?
N1 C3 1.467(3) . ?
C2 N2 1.316(3) . ?
C2 C1 1.490(3) . ?
C5 C6 1.390(3) . ?
C5 C10 1.398(3) . ?
O2 C21 1.249(3) . ?
C10 C9 1.390(3) . ?
C10 N2 1.390(3) . ?
N4 C20 1.391(3) . ?
N3 C15 1.382(3) . ?
N3 C13 1.462(3) . ?
C20 C15 1.393(3) . ?
C20 C19 1.396(4) . ?
O3 C21 1.243(3) . ?
C15 C16 1.395(3) . ?
C7 C6 1.375(4) . ?
C7 C8 1.393(4) . ?
C21 C22 1.512(4) . ?
C3 C4 1.506(4) . ?
C8 C9 1.381(4) . ?
C19 C18 1.379(4) . ?
C22 C24 1.380(5) . ?
C22 C23 1.410(5) . ?
C16 C17 1.365(5) . ?
C17 C18 1.388(5) . ?
O1 C1 1.426(3) . ?
O1 C11 1.427(3) 3_675 ?
C11 O1 1.427(3) 3_675 ?
C13 C14 1.498(4) . ?
C25 C26 1.402(6) . ?
C26 N5 1.107(6) . ?

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
N4 Ag1 N2 142.58(7) . . ?
N4 Ag1 O2 110.78(7) . . ?
N2 Ag1 O2 104.35(7) . . ?
N4 C12 N3 112.3(2) . . ?
N4 C12 C11 124.2(2) . . ?
N3 C12 C11 123.5(2) . . ?
C2 N1 C5 106.59(18) . . ?
C2 N1 C3 128.33(19) . . ?
C5 N1 C3 124.93(19) . . ?
N2 C2 N1 113.00(19) . . ?
N2 C2 C1 123.0(2) . . ?
N1 C2 C1 124.0(2) . . ?
N1 C5 C6 131.8(2) . . ?
N1 C5 C10 105.89(18) . . ?
C6 C5 C10 122.3(2) . . ?
C21 O2 Ag1 99.26(16) . . ?
C9 C10 N2 130.7(2) . . ?
C9 C10 C5 120.0(2) . . ?
N2 C10 C5 109.21(19) . . ?
C2 N2 C10 105.30(18) . . ?
C2 N2 Ag1 124.56(15) . . ?
C10 N2 Ag1 127.92(15) . . ?
C12 N4 C20 105.47(19) . . ?
C12 N4 Ag1 127.90(15) . . ?
C20 N4 Ag1 126.54(15) . . ?
C12 N3 C15 107.14(19) . . ?
C12 N3 C13 127.7(2) . . ?
C15 N3 C13 125.1(2) . . ?
N4 C20 C15 109.3(2) . . ?
N4 C20 C19 130.5(2) . . ?
C15 C20 C19 120.2(2) . . ?
N3 C15 C20 105.76(19) . . ?
N3 C15 C16 131.8(2) . . ?
C20 C15 C16 122.4(2) . . ?
C6 C7 C8 121.4(2) . . ?
C7 C6 C5 116.9(2) . . ?
O3 C21 O2 123.7(2) . . ?
O3 C21 C22 117.3(2) . . ?
O2 C21 C22 118.9(2) . . ?
N1 C3 C4 112.5(2) . . ?
C9 C8 C7 121.8(3) . . ?
C8 C9 C10 117.6(2) . . ?
C18 C19 C20 117.0(3) . . ?
C24 C22 C23 123.0(3) . . ?
C24 C22 C21 118.5(3) . . ?
C23 C22 C21 118.5(3) . . ?
C17 C16 C15 116.3(3) . . ?
C16 C17 C18 122.2(3) . . ?
C19 C18 C17 121.9(3) . . ?
C1 O1 C11 112.45(17) . 3_675 ?
O1 C11 C12 112.44(18) 3_675 . ?
O1 C1 C2 108.94(18) . . ?
N3 C13 C14 112.3(2) . . ?
N5 C26 C25 179.1(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C2 N2 0.0(2) . . . . ?
C3 N1 C2 N2 -175.7(2) . . . . ?
C5 N1 C2 C1 -178.4(2) . . . . ?
C3 N1 C2 C1 5.9(3) . . . . ?
C2 N1 C5 C6 177.4(2) . . . . ?
C3 N1 C5 C6 -6.7(4) . . . . ?
C2 N1 C5 C10 0.4(2) . . . . ?
C3 N1 C5 C10 176.22(19) . . . . ?
N4 Ag1 O2 C21 -101.13(16) . . . . ?
N2 Ag1 O2 C21 65.75(16) . . . . ?
N1 C5 C10 C9 177.9(2) . . . . ?
C6 C5 C10 C9 0.5(3) . . . . ?
N1 C5 C10 N2 -0.6(2) . . . . ?
C6 C5 C10 N2 -178.01(19) . . . . ?
N1 C2 N2 C10 -0.4(2) . . . . ?
C1 C2 N2 C10 178.1(2) . . . . ?
N1 C2 N2 Ag1 -164.53(13) . . . . ?
C1 C2 N2 Ag1 13.9(3) . . . . ?
C9 C10 N2 C2 -177.7(2) . . . . ?
C5 C10 N2 C2 0.6(2) . . . . ?
C9 C10 N2 Ag1 -14.3(3) . . . . ?
C5 C10 N2 Ag1 164.04(14) . . . . ?
N4 Ag1 N2 C2 -174.34(15) . . . . ?
O2 Ag1 N2 C2 26.10(19) . . . . ?
N4 Ag1 N2 C10 25.2(2) . . . . ?
O2 Ag1 N2 C10 -134.40(17) . . . . ?
N3 C12 N4 C20 0.1(2) . . . . ?
C11 C12 N4 C20 177.7(2) . . . . ?
N3 C12 N4 Ag1 176.88(13) . . . . ?
C11 C12 N4 Ag1 -5.6(3) . . . . ?
N2 Ag1 N4 C12 -149.17(17) . . . . ?
O2 Ag1 N4 C12 9.6(2) . . . . ?
N2 Ag1 N4 C20 27.0(2) . . . . ?
O2 Ag1 N4 C20 -174.25(17) . . . . ?
N4 C12 N3 C15 0.1(2) . . . . ?
C11 C12 N3 C15 -177.5(2) . . . . ?
N4 C12 N3 C13 177.6(2) . . . . ?
C11 C12 N3 C13 0.0(3) . . . . ?
C12 N4 C20 C15 -0.3(2) . . . . ?
Ag1 N4 C20 C15 -177.10(14) . . . . ?
C12 N4 C20 C19 179.1(3) . . . . ?
Ag1 N4 C20 C19 2.2(4) . . . . ?
C12 N3 C15 C20 -0.3(2) . . . . ?
C13 N3 C15 C20 -177.8(2) . . . . ?
C12 N3 C15 C16 -179.0(2) . . . . ?
C13 N3 C15 C16 3.4(4) . . . . ?
N4 C20 C15 N3 0.3(2) . . . . ?
C19 C20 C15 N3 -179.1(2) . . . . ?
N4 C20 C15 C16 179.2(2) . . . . ?
C19 C20 C15 C16 -0.2(4) . . . . ?
C8 C7 C6 C5 -0.9(4) . . . . ?
N1 C5 C6 C7 -176.4(2) . . . . ?
C10 C5 C6 C7 0.3(3) . . . . ?
Ag1 O2 C21 O3 5.3(3) . . . . ?
Ag1 O2 C21 C22 -173.98(18) . . . . ?
C2 N1 C3 C4 94.2(3) . . . . ?
C5 N1 C3 C4 -80.8(3) . . . . ?
C6 C7 C8 C9 0.7(4) . . . . ?
C7 C8 C9 C10 0.1(4) . . . . ?
N2 C10 C9 C8 177.4(2) . . . . ?
C5 C10 C9 C8 -0.7(3) . . . . ?
N4 C20 C19 C18 -179.7(3) . . . . ?
C15 C20 C19 C18 -0.4(4) . . . . ?
O3 C21 C22 C24 -154.4(3) . . . . ?
O2 C21 C22 C24 25.0(4) . . . . ?
O3 C21 C22 C23 24.9(4) . . . . ?
O2 C21 C22 C23 -155.8(3) . . . . ?
N3 C15 C16 C17 178.9(2) . . . . ?
C20 C15 C16 C17 0.3(4) . . . . ?
C15 C16 C17 C18 0.2(4) . . . . ?
C20 C19 C18 C17 0.9(4) . . . . ?
C16 C17 C18 C19 -0.8(5) . . . . ?
N4 C12 C11 O1 -102.4(3) . . . 3_675 ?
N3 C12 C11 O1 74.9(3) . . . 3_675 ?
C11 O1 C1 C2 -148.20(19) 3_675 . . . ?
N2 C2 C1 O1 118.8(2) . . . . ?
N1 C2 C1 O1 -62.9(3) . . . . ?
C12 N3 C13 C14 -94.3(3) . . . . ?
C15 N3 C13 C14 82.7(3) . . . . ?

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
C16 H16 O3 0.93 2.49 3.314(4) 147.3 3_665

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.106
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 996126'
_audit_update_record             
;
2014-04-09 deposited with the CCDC.
2016-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H31 Ag N4 O3'
_chemical_formula_weight         651.50

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.0046(4)
_cell_length_b                   12.9691(9)
_cell_length_c                   13.8963(9)
_cell_angle_alpha                70.317(6)
_cell_angle_beta                 79.808(5)
_cell_angle_gamma                73.946(5)
_cell_volume                     1462.11(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             668
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8941
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.95
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5099
_reflns_number_gt                4170
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0265P)²+0.4353P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5099
_refine_ls_number_parameters     380
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0813
_refine_ls_wR_factor_gt          0.0736
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.003
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag2 Ag 0.37532(3) -0.09139(2) 1.021132(19) 0.05774(11) Uani 1 1 d U . .
O1 O 0.0717(2) 0.11057(19) 0.97493(16) 0.0547(5) Uani 1 1 d . . .
O3 O 0.3006(3) -0.2439(2) 1.2033(2) 0.0720(7) Uani 1 1 d . . .
O2 O 0.5285(3) -0.2567(2) 1.11623(19) 0.0695(7) Uani 1 1 d . . .
N3 N 0.1722(3) 0.1921(2) 1.1407(2) 0.0518(7) Uani 1 1 d . . .
N4 N 0.3381(3) 0.0453(2) 1.1033(2) 0.0518(6) Uani 1 1 d U . .
N1 N 0.0962(3) 0.0035(2) 0.75748(19) 0.0444(6) Uani 1 1 d . . .
N2 N 0.2506(3) -0.0604(2) 0.88409(18) 0.0445(5) Uani 1 1 d U . .
C16 C 0.1815(4) 0.1730(3) 0.9641(3) 0.0610(9) Uani 1 1 d . . .
H16A H 0.1351 0.2532 0.9409 0.073 Uiso 1 1 calc R . .
H16B H 0.2680 0.1551 0.9152 0.073 Uiso 1 1 calc R . .
C17 C 0.2338(4) 0.1392(3) 1.0684(3) 0.0508(8) Uani 1 1 d . . .
C25 C 0.2432(3) 0.1277(3) 1.2294(2) 0.0472(7) Uani 1 1 d . . .
C26 C 0.2255(4) 0.1393(3) 1.3264(3) 0.0625(9) Uani 1 1 d . . .
H26 H 0.1578 0.2014 1.3418 0.075 Uiso 1 1 calc R . .
C27 C 0.3119(4) 0.0555(3) 1.3988(3) 0.0691(10) Uani 1 1 d . . .
H27 H 0.3028 0.0608 1.4648 0.083 Uiso 1 1 calc R . .
C28 C 0.4134(4) -0.0377(3) 1.3758(3) 0.0619(9) Uani 1 1 d . . .
H28 H 0.4699 -0.0933 1.4270 0.074 Uiso 1 1 calc R . .
C29 C 0.4320(3) -0.0493(3) 1.2793(2) 0.0511(8) Uani 1 1 d . . .
H29 H 0.5002 -0.1115 1.2643 0.061 Uiso 1 1 calc R . .
C30 C 0.3450(3) 0.0351(2) 1.2053(2) 0.0422(7) Uani 1 1 d . . .
C18 C 0.0542(4) 0.2989(3) 1.1291(3) 0.0651(10) Uani 1 1 d . . .
H18A H -0.0180 0.2919 1.1904 0.078 Uiso 1 1 calc R . .
H18B H -0.0037 0.3131 1.0716 0.078 Uiso 1 1 calc R . .
C19 C 0.1232(4) 0.3977(3) 1.1119(3) 0.0510(8) Uani 1 1 d . . .
C24 C 0.2316(4) 0.4251(3) 1.0303(3) 0.0599(9) Uani 1 1 d . . .
H24 H 0.2659 0.3804 0.9870 0.072 Uiso 1 1 calc R . .
C23 C 0.2897(4) 0.5179(3) 1.0123(3) 0.0775(12) Uani 1 1 d . . .
H23 H 0.3612 0.5362 0.9559 0.093 Uiso 1 1 calc R . .
C22 C 0.2445(6) 0.5827(3) 1.0750(4) 0.0877(14) Uani 1 1 d . . .
H22 H 0.2847 0.6455 1.0617 0.105 Uiso 1 1 calc R . .
C21 C 0.1408(6) 0.5570(3) 1.1575(4) 0.0889(14) Uani 1 1 d . . .
H21 H 0.1115 0.6007 1.2018 0.107 Uiso 1 1 calc R . .
C20 C 0.0782(5) 0.4645(3) 1.1754(3) 0.0736(11) Uani 1 1 d . . .
H20 H 0.0051 0.4478 1.2311 0.088 Uiso 1 1 calc R . .
C1 C 0.0329(4) 0.1130(3) 0.8809(2) 0.0543(8) Uani 1 1 d . . .
H1A H 0.0439 0.1837 0.8300 0.065 Uiso 1 1 calc R . .
H1B H -0.0752 0.1101 0.8881 0.065 Uiso 1 1 calc R . .
C2 C 0.1308(3) 0.0178(2) 0.8430(2) 0.0413(7) Uani 1 1 d . . .
C10 C 0.2036(3) -0.0905(3) 0.7412(2) 0.0452(7) Uani 1 1 d . . .
C11 C 0.2247(4) -0.1425(3) 0.6658(3) 0.0621(9) Uani 1 1 d . . .
H11 H 0.1612 -0.1154 0.6124 0.074 Uiso 1 1 calc R . .
C12 C 0.3451(5) -0.2364(3) 0.6746(3) 0.0728(11) Uani 1 1 d . . .
H12 H 0.3636 -0.2740 0.6258 0.087 Uiso 1 1 calc R . .
C13 C 0.4403(4) -0.2769(3) 0.7547(3) 0.0724(11) Uani 1 1 d . . .
H13 H 0.5208 -0.3405 0.7577 0.087 Uiso 1 1 calc R . .
C14 C 0.4181(4) -0.2252(3) 0.8290(3) 0.0589(9) Uani 1 1 d . . .
H14 H 0.4814 -0.2531 0.8826 0.071 Uiso 1 1 calc R . .
C15 C 0.2976(3) -0.1295(2) 0.8215(2) 0.0447(7) Uani 1 1 d . . .
C3 C -0.0226(3) 0.0789(3) 0.6907(2) 0.0500(8) Uani 1 1 d . . .
H3A H -0.1129 0.1063 0.7328 0.060 Uiso 1 1 calc R . .
H3B H -0.0538 0.0364 0.6553 0.060 Uiso 1 1 calc R . .
C4 C 0.0280(3) 0.1783(3) 0.6122(2) 0.0455(7) Uani 1 1 d . . .
C5 C -0.0741(4) 0.2517(3) 0.5434(3) 0.0795(12) Uani 1 1 d . . .
H5 H -0.1705 0.2378 0.5447 0.095 Uiso 1 1 calc R . .
C6 C -0.0345(6) 0.3457(4) 0.4723(3) 0.1098(18) Uani 1 1 d . . .
H6 H -0.1049 0.3950 0.4261 0.132 Uiso 1 1 calc R . .
C7 C 0.1040(7) 0.3675(4) 0.4687(3) 0.0984(16) Uani 1 1 d . . .
H7 H 0.1285 0.4320 0.4210 0.118 Uiso 1 1 calc R . .
C8 C 0.2079(6) 0.2954(4) 0.5344(3) 0.0906(13) Uani 1 1 d . . .
H8 H 0.3049 0.3093 0.5311 0.109 Uiso 1 1 calc R . .
C9 C 0.1693(4) 0.2008(3) 0.6067(3) 0.0691(10) Uani 1 1 d . . .
H9 H 0.2407 0.1518 0.6522 0.083 Uiso 1 1 calc R . .
C31 C 0.4382(4) -0.2884(3) 1.1930(2) 0.0480(7) Uani 1 1 d . . .
C32 C 0.5059(4) -0.3910(3) 1.2782(3) 0.0681(10) Uani 1 1 d . . .
C34 C 0.6680(6) -0.4329(5) 1.2726(4) 0.164(3) Uani 1 1 d . . .
H34A H 0.6943 -0.5006 1.3286 0.246 Uiso 1 1 calc R . .
H34B H 0.7168 -0.3776 1.2767 0.246 Uiso 1 1 calc R . .
H34C H 0.7035 -0.4491 1.2088 0.246 Uiso 1 1 calc R . .
C33 C 0.4093(6) -0.4411(4) 1.3545(4) 0.126(2) Uani 1 1 d . . .
H33A H 0.4493 -0.5057 1.4059 0.151 Uiso 1 1 calc R . .
H33B H 0.3027 -0.4109 1.3555 0.151 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 N2 2.245(2) . ?
Ag2 O2 2.313(2) . ?
Ag2 N4 2.336(3) . ?
O1 C1 1.399(3) . ?
O1 C16 1.401(3) . ?
O3 C31 1.219(4) . ?
O2 C31 1.246(4) . ?
N3 C17 1.358(4) . ?
N3 C25 1.385(4) . ?
N3 C18 1.473(4) . ?
N4 C17 1.316(4) . ?
N4 C30 1.389(4) . ?
N1 C2 1.361(4) . ?
N1 C10 1.388(4) . ?
N1 C3 1.458(4) . ?
N2 C2 1.320(3) . ?
N2 C15 1.387(4) . ?
C16 C17 1.488(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C25 C26 1.383(4) . ?
C25 C30 1.395(4) . ?
C26 C27 1.368(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.394(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.376(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(4) . ?
C29 H29 0.9300 . ?
C18 C19 1.505(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.374(5) . ?
C19 C24 1.376(5) . ?
C24 C23 1.371(5) . ?
C24 H24 0.9300 . ?
C23 C22 1.347(6) . ?
C23 H23 0.9300 . ?
C22 C21 1.354(6) . ?
C22 H22 0.9300 . ?
C21 C20 1.393(6) . ?
C21 H21 0.9300 . ?
C20 H20 0.9300 . ?
C1 C2 1.500(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C10 C11 1.387(4) . ?
C10 C15 1.391(4) . ?
C11 C12 1.375(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.394(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.369(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.391(4) . ?
C14 H14 0.9300 . ?
C3 C4 1.503(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C9 1.366(4) . ?
C4 C5 1.371(4) . ?
C5 C6 1.376(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.342(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.352(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.385(5) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C31 C32 1.513(4) . ?
C32 C33 1.351(6) . ?
C32 C34 1.408(5) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C33 H33A 0.9300 . ?
C33 H33B 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag2 O2 129.19(9) . . ?
N2 Ag2 N4 121.89(9) . . ?
O2 Ag2 N4 108.50(9) . . ?
C1 O1 C16 113.2(2) . . ?
C31 O2 Ag2 102.2(2) . . ?
C17 N3 C25 107.2(3) . . ?
C17 N3 C18 127.7(3) . . ?
C25 N3 C18 125.1(3) . . ?
C17 N4 C30 105.5(3) . . ?
C17 N4 Ag2 116.3(2) . . ?
C30 N4 Ag2 131.04(19) . . ?
C2 N1 C10 107.2(2) . . ?
C2 N1 C3 126.0(3) . . ?
C10 N1 C3 126.5(3) . . ?
C2 N2 C15 105.4(3) . . ?
C2 N2 Ag2 133.0(2) . . ?
C15 N2 Ag2 121.62(19) . . ?
O1 C16 C17 104.9(3) . . ?
O1 C16 H16A 110.8 . . ?
C17 C16 H16A 110.8 . . ?
O1 C16 H16B 110.8 . . ?
C17 C16 H16B 110.8 . . ?
H16A C16 H16B 108.8 . . ?
N4 C17 N3 112.5(3) . . ?
N4 C17 C16 121.5(3) . . ?
N3 C17 C16 125.7(3) . . ?
C26 C25 N3 132.7(3) . . ?
C26 C25 C30 122.0(3) . . ?
N3 C25 C30 105.3(3) . . ?
C27 C26 C25 117.2(3) . . ?
C27 C26 H26 121.4 . . ?
C25 C26 H26 121.4 . . ?
C26 C27 C28 121.4(3) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 117.4(3) . . ?
C28 C29 H29 121.3 . . ?
C30 C29 H29 121.3 . . ?
C29 C30 N4 130.2(3) . . ?
C29 C30 C25 120.4(3) . . ?
N4 C30 C25 109.5(3) . . ?
N3 C18 C19 112.9(2) . . ?
N3 C18 H18A 109.0 . . ?
C19 C18 H18A 109.0 . . ?
N3 C18 H18B 109.0 . . ?
C19 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C24 117.9(3) . . ?
C20 C19 C18 121.4(3) . . ?
C24 C19 C18 120.7(3) . . ?
C23 C24 C19 120.6(4) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
C22 C23 C24 120.9(4) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C21 C20 119.5(4) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C19 C20 C21 120.8(4) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
O1 C1 C2 113.5(3) . . ?
O1 C1 H1A 108.9 . . ?
C2 C1 H1A 108.9 . . ?
O1 C1 H1B 108.9 . . ?
C2 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
N2 C2 N1 112.3(3) . . ?
N2 C2 C1 127.9(3) . . ?
N1 C2 C1 119.7(3) . . ?
C11 C10 N1 132.2(3) . . ?
C11 C10 C15 122.8(3) . . ?
N1 C10 C15 105.0(3) . . ?
C12 C11 C10 116.1(3) . . ?
C12 C11 H11 122.0 . . ?
C10 C11 H11 122.0 . . ?
C11 C12 C13 121.9(4) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
C14 C13 C12 121.6(4) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 117.7(3) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
N2 C15 C10 110.1(3) . . ?
N2 C15 C14 130.0(3) . . ?
C10 C15 C14 119.9(3) . . ?
N1 C3 C4 114.1(2) . . ?
N1 C3 H3A 108.7 . . ?
C4 C3 H3A 108.7 . . ?
N1 C3 H3B 108.7 . . ?
C4 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C9 C4 C5 118.0(3) . . ?
C9 C4 C3 123.6(3) . . ?
C5 C4 C3 118.4(3) . . ?
C4 C5 C6 120.4(4) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 121.0(4) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 119.9(4) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C7 C8 C9 119.7(4) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C4 C9 C8 121.1(4) . . ?
C4 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
O3 C31 O2 124.8(3) . . ?
O3 C31 C32 118.5(3) . . ?
O2 C31 C32 116.7(3) . . ?
C33 C32 C34 122.5(4) . . ?
C33 C32 C31 119.2(4) . . ?
C34 C32 C31 118.3(4) . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C33 H33A 120.0 . . ?
C32 C33 H33B 120.0 . . ?
H33A C33 H33B 120.0 . . ?

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
N2 Ag2 O2 C31 -101.0(2) . . . . ?
N4 Ag2 O2 C31 71.6(2) . . . . ?
N2 Ag2 N4 C17 3.6(3) . . . . ?
O2 Ag2 N4 C17 -169.7(2) . . . . ?
N2 Ag2 N4 C30 149.3(2) . . . . ?
O2 Ag2 N4 C30 -23.9(3) . . . . ?
O2 Ag2 N2 C2 158.0(2) . . . . ?
N4 Ag2 N2 C2 -13.7(3) . . . . ?
O2 Ag2 N2 C15 -23.4(2) . . . . ?
N4 Ag2 N2 C15 164.94(18) . . . . ?
C1 O1 C16 C17 -167.3(3) . . . . ?
C30 N4 C17 N3 0.4(3) . . . . ?
Ag2 N4 C17 N3 154.27(19) . . . . ?
C30 N4 C17 C16 -173.5(3) . . . . ?
Ag2 N4 C17 C16 -19.6(4) . . . . ?
C25 N3 C17 N4 0.5(3) . . . . ?
C18 N3 C17 N4 179.4(3) . . . . ?
C25 N3 C17 C16 174.1(3) . . . . ?
C18 N3 C17 C16 -7.0(5) . . . . ?
O1 C16 C17 N4 80.7(4) . . . . ?
O1 C16 C17 N3 -92.4(3) . . . . ?
C17 N3 C25 C26 -179.1(3) . . . . ?
C18 N3 C25 C26 2.0(5) . . . . ?
C17 N3 C25 C30 -1.2(3) . . . . ?
C18 N3 C25 C30 179.9(3) . . . . ?
N3 C25 C26 C27 177.2(3) . . . . ?
C30 C25 C26 C27 -0.4(5) . . . . ?
C25 C26 C27 C28 0.0(5) . . . . ?
C26 C27 C28 C29 0.4(5) . . . . ?
C27 C28 C29 C30 -0.3(5) . . . . ?
C28 C29 C30 N4 -179.1(3) . . . . ?
C28 C29 C30 C25 -0.1(4) . . . . ?
C17 N4 C30 C29 177.9(3) . . . . ?
Ag2 N4 C30 C29 29.5(4) . . . . ?
C17 N4 C30 C25 -1.2(3) . . . . ?
Ag2 N4 C30 C25 -149.6(2) . . . . ?
C26 C25 C30 C29 0.4(4) . . . . ?
N3 C25 C30 C29 -177.8(3) . . . . ?
C26 C25 C30 N4 179.6(3) . . . . ?
N3 C25 C30 N4 1.5(3) . . . . ?
C17 N3 C18 C19 -99.3(4) . . . . ?
C25 N3 C18 C19 79.4(4) . . . . ?
N3 C18 C19 C20 -123.6(4) . . . . ?
N3 C18 C19 C24 57.7(4) . . . . ?
C20 C19 C24 C23 -1.5(5) . . . . ?
C18 C19 C24 C23 177.3(3) . . . . ?
C19 C24 C23 C22 1.4(6) . . . . ?
C24 C23 C22 C21 0.1(6) . . . . ?
C23 C22 C21 C20 -1.6(7) . . . . ?
C24 C19 C20 C21 0.0(5) . . . . ?
C18 C19 C20 C21 -178.8(3) . . . . ?
C22 C21 C20 C19 1.5(6) . . . . ?
C16 O1 C1 C2 91.8(3) . . . . ?
C15 N2 C2 N1 0.3(3) . . . . ?
Ag2 N2 C2 N1 179.10(18) . . . . ?
C15 N2 C2 C1 178.6(3) . . . . ?
Ag2 N2 C2 C1 -2.6(4) . . . . ?
C10 N1 C2 N2 -0.9(3) . . . . ?
C3 N1 C2 N2 -175.9(2) . . . . ?
C10 N1 C2 C1 -179.3(3) . . . . ?
C3 N1 C2 C1 5.6(4) . . . . ?
O1 C1 C2 N2 -4.4(4) . . . . ?
O1 C1 C2 N1 173.8(2) . . . . ?
C2 N1 C10 C11 -179.2(3) . . . . ?
C3 N1 C10 C11 -4.2(5) . . . . ?
C2 N1 C10 C15 1.1(3) . . . . ?
C3 N1 C10 C15 176.0(2) . . . . ?
N1 C10 C11 C12 -179.6(3) . . . . ?
C15 C10 C11 C12 0.2(5) . . . . ?
C10 C11 C12 C13 0.0(5) . . . . ?
C11 C12 C13 C14 0.3(6) . . . . ?
C12 C13 C14 C15 -0.6(5) . . . . ?
C2 N2 C15 C10 0.4(3) . . . . ?
Ag2 N2 C15 C10 -178.57(17) . . . . ?
C2 N2 C15 C14 -179.8(3) . . . . ?
Ag2 N2 C15 C14 1.3(4) . . . . ?
C11 C10 C15 N2 179.3(3) . . . . ?
N1 C10 C15 N2 -0.9(3) . . . . ?
C11 C10 C15 C14 -0.6(4) . . . . ?
N1 C10 C15 C14 179.3(2) . . . . ?
C13 C14 C15 N2 -179.0(3) . . . . ?
C13 C14 C15 C10 0.8(4) . . . . ?
C2 N1 C3 C4 82.6(3) . . . . ?
C10 N1 C3 C4 -91.5(3) . . . . ?
N1 C3 C4 C9 -3.7(4) . . . . ?
N1 C3 C4 C5 177.6(3) . . . . ?
C9 C4 C5 C6 -0.9(6) . . . . ?
C3 C4 C5 C6 177.9(4) . . . . ?
C4 C5 C6 C7 0.1(7) . . . . ?
C5 C6 C7 C8 1.1(8) . . . . ?
C6 C7 C8 C9 -1.4(7) . . . . ?
C5 C4 C9 C8 0.6(5) . . . . ?
C3 C4 C9 C8 -178.2(4) . . . . ?
C7 C8 C9 C4 0.6(7) . . . . ?
Ag2 O2 C31 O3 6.8(4) . . . . ?
Ag2 O2 C31 C32 -174.5(2) . . . . ?
O3 C31 C32 C33 10.6(6) . . . . ?
O2 C31 C32 C33 -168.3(4) . . . . ?
O3 C31 C32 C34 -171.5(5) . . . . ?
O2 C31 C32 C34 9.6(6) . . . . ?

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
C16 H16B O2 0.97 2.44 2.994(4) 116.0 2_657
C3 H3A O3 0.97 2.39 3.297(4) 156.0 2_557
C1 H1B O3 0.97 2.49 3.218(4) 131.2 2_557

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.313
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.052
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1012704'
_audit_update_record             
;
2014-07-08 deposited with the CCDC.
2016-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H32 Ag2 N4 O5'
_chemical_formula_weight         744.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

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

_cell_length_a                   18.7281(16)
_cell_length_b                   8.7563(7)
_cell_length_c                   17.4903(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.3340(10)
_cell_angle_gamma                90.00
_cell_volume                     2865.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1496
_exptl_absorpt_coefficient_mu    1.413
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.574
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9594
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2644
_reflns_number_gt                2488
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0326P)²+4.9543P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2644
_refine_ls_number_parameters     187
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0690
_refine_ls_wR_factor_gt          0.0636
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.966740(11) 0.38823(2) 0.146370(12) 0.03839(10) Uani 1 1 d . . .
N2 N 0.95862(11) -0.1040(2) 0.08246(13) 0.0316(5) Uani 1 1 d . . .
C3 C 0.90246(13) 0.1056(3) 0.04242(15) 0.0303(5) Uani 1 1 d . . .
O1 O 1.0000 -0.0871(3) 0.2500 0.0517(8) Uani 1 2 d S . .
C2 C 0.98042(13) 0.0183(3) 0.12529(15) 0.0321(5) Uani 1 1 d . . .
N1 N 0.94863(11) 0.1461(2) 0.10340(13) 0.0322(4) Uani 1 1 d . . .
C8 C 0.90823(13) -0.0507(3) 0.02885(14) 0.0301(5) Uani 1 1 d . . .
C7 C 0.86782(17) -0.1253(3) -0.02854(17) 0.0420(6) Uani 1 1 d . . .
H7 H 0.8720 -0.2297 -0.0369 0.050 Uiso 1 1 calc R . .
C5 C 0.81531(19) 0.1212(3) -0.05931(19) 0.0505(8) Uani 1 1 d . . .
H5 H 0.7830 0.1774 -0.0898 0.061 Uiso 1 1 calc R . .
C4 C 0.85543(15) 0.1947(3) -0.00330(17) 0.0413(6) Uani 1 1 d . . .
H4 H 0.8516 0.2995 0.0041 0.050 Uiso 1 1 calc R . .
C1 C 1.03211(15) 0.0010(3) 0.19215(17) 0.0441(7) Uani 1 1 d . . .
H1A H 1.0751 -0.0493 0.1761 0.053 Uiso 1 1 calc R . .
H1B H 1.0452 0.1008 0.2123 0.053 Uiso 1 1 calc R . .
C6 C 0.82148(17) -0.0357(4) -0.07204(18) 0.0503(7) Uani 1 1 d . . .
H6 H 0.7935 -0.0808 -0.1110 0.060 Uiso 1 1 calc R . .
O2 O 1.07581(12) 0.3705(3) 0.21222(13) 0.0535(6) Uani 1 1 d . . .
O3 O 1.10297(13) 0.4740(3) 0.10252(14) 0.0607(6) Uani 1 1 d . . .
C12 C 1.12046(15) 0.4162(3) 0.16564(17) 0.0383(6) Uani 1 1 d . . .
C10 C 0.92848(15) 0.6480(3) 0.13728(17) 0.0384(6) Uani 1 1 d . . .
H10 H 0.9164 0.6956 0.1858 0.046 Uiso 1 1 calc R . .
C11 C 0.87748(16) 0.5587(3) 0.1050(2) 0.0551(9) Uani 1 1 d . . .
H11A H 0.8700 0.5686 0.0500 0.066 Uiso 1 1 calc R . .
H11B H 0.8331 0.5533 0.1316 0.066 Uiso 1 1 calc R . .
C13 C 1.19883(16) 0.3904(3) 0.1858(2) 0.0473(7) Uani 1 1 d . . .
C14 C 1.2504(2) 0.4505(5) 0.1338(3) 0.0796(12) Uani 1 1 d . . .
H14A H 1.2979 0.4295 0.1538 0.119 Uiso 1 1 calc R . .
H14B H 1.2440 0.5588 0.1287 0.119 Uiso 1 1 calc R . .
H14C H 1.2434 0.4029 0.0846 0.119 Uiso 1 1 calc R . .
C15 C 1.2174(2) 0.3060(6) 0.2481(2) 0.0787(12) Uani 1 1 d . . .
H15A H 1.2653 0.2839 0.2594 0.094 Uiso 1 1 calc R . .
H15B H 1.1824 0.2700 0.2797 0.094 Uiso 1 1 calc R . .
C9 C 0.98067(14) -0.2648(3) 0.09127(16) 0.0359(6) Uani 1 1 d . . .
H9A H 1.0277 -0.2695 0.1165 0.043 Uiso 1 1 calc R . .
H9B H 0.9836 -0.3114 0.0412 0.043 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.270(2) . ?
Ag1 O2 2.309(2) 1 ?
Ag1 O2 2.309(2) . ?
Ag1 C11 2.334(3) . ?
Ag1 C10 2.388(2) . ?
N2 C2 1.360(3) . ?
N2 C8 1.384(3) . ?
N2 C9 1.474(3) . ?
C3 N1 1.391(3) . ?
C3 C8 1.395(3) . ?
C3 C4 1.403(4) . ?
O1 C1 1.425(3) 2_755 ?
O1 C1 1.425(3) . ?
C2 N1 1.317(3) . ?
C2 C1 1.495(4) . ?
C8 C7 1.394(4) . ?
C7 C6 1.376(4) . ?
C7 H7 0.9300 . ?
C5 C4 1.371(4) . ?
C5 C6 1.397(4) . ?
C5 H5 0.9300 . ?
C4 H4 0.9300 . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C6 H6 0.9300 . ?
O2 O2 0.000(4) 1 ?
O2 C12 1.256(4) . ?
O3 C12 1.246(4) . ?
C12 O2 1.256(4) 1 ?
C12 C13 1.512(4) . ?
C10 C11 1.341(4) . ?
C10 C9 1.500(4) 1_565 ?
C10 H10 0.9800 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C13 C15 1.351(5) . ?
C13 C14 1.451(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9300 . ?
C15 H15B 0.9300 . ?
C9 C10 1.500(4) 1_545 ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 O2 102.69(8) . 1 ?
N1 Ag1 O2 102.69(8) . . ?
O2 Ag1 O2 0.00(17) 1 . ?
N1 Ag1 C11 113.53(10) . . ?
O2 Ag1 C11 143.64(10) 1 . ?
O2 Ag1 C11 143.64(10) . . ?
N1 Ag1 C10 145.80(9) . . ?
O2 Ag1 C10 110.73(9) 1 . ?
O2 Ag1 C10 110.73(9) . . ?
C11 Ag1 C10 32.97(11) . . ?
C2 N2 C8 106.82(19) . . ?
C2 N2 C9 128.2(2) . . ?
C8 N2 C9 125.0(2) . . ?
N1 C3 C8 109.3(2) . . ?
N1 C3 C4 130.7(2) . . ?
C8 C3 C4 120.0(2) . . ?
C1 O1 C1 114.4(3) 2_755 . ?
N1 C2 N2 112.8(2) . . ?
N1 C2 C1 125.7(2) . . ?
N2 C2 C1 121.4(2) . . ?
C2 N1 C3 105.4(2) . . ?
C2 N1 Ag1 129.61(17) . . ?
C3 N1 Ag1 124.87(16) . . ?
N2 C8 C7 131.7(2) . . ?
N2 C8 C3 105.7(2) . . ?
C7 C8 C3 122.6(2) . . ?
C6 C7 C8 116.3(2) . . ?
C6 C7 H7 121.9 . . ?
C8 C7 H7 121.9 . . ?
C4 C5 C6 122.0(3) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C4 C3 117.3(2) . . ?
C5 C4 H4 121.3 . . ?
C3 C4 H4 121.3 . . ?
O1 C1 C2 109.4(2) . . ?
O1 C1 H1A 109.8 . . ?
C2 C1 H1A 109.8 . . ?
O1 C1 H1B 109.8 . . ?
C2 C1 H1B 109.8 . . ?
H1A C1 H1B 108.2 . . ?
C7 C6 C5 121.8(3) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
O2 O2 C12 0(10) 1 . ?
O2 O2 Ag1 0(10) 1 . ?
C12 O2 Ag1 104.71(19) . . ?
O3 C12 O2 123.1(3) . 1 ?
O3 C12 O2 123.1(3) . . ?
O2 C12 O2 0.0(3) 1 . ?
O3 C12 C13 119.0(3) . . ?
O2 C12 C13 117.8(3) 1 . ?
O2 C12 C13 117.8(3) . . ?
C11 C10 C9 122.6(3) . 1_565 ?
C11 C10 Ag1 71.30(16) . . ?
C9 C10 Ag1 108.66(17) 1_565 . ?
C11 C10 H10 115.3 . . ?
C9 C10 H10 115.3 1_565 . ?
Ag1 C10 H10 115.3 . . ?
C10 C11 Ag1 75.74(17) . . ?
C10 C11 H11A 115.9 . . ?
Ag1 C11 H11A 115.9 . . ?
C10 C11 H11B 115.9 . . ?
Ag1 C11 H11B 115.9 . . ?
H11A C11 H11B 112.9 . . ?
C15 C13 C14 123.2(4) . . ?
C15 C13 C12 119.0(3) . . ?
C14 C13 C12 117.7(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 120.0 . . ?
C13 C15 H15B 120.0 . . ?
H15A C15 H15B 120.0 . . ?
N2 C9 C10 110.9(2) . 1_545 ?
N2 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 1_545 . ?
N2 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 1_545 . ?
H9A C9 H9B 108.1 . . ?

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
C8 N2 C2 N1 -0.4(3) . . . . ?
C9 N2 C2 N1 -178.2(2) . . . . ?
C8 N2 C2 C1 176.4(2) . . . . ?
C9 N2 C2 C1 -1.3(4) . . . . ?
N2 C2 N1 C3 0.4(3) . . . . ?
C1 C2 N1 C3 -176.3(3) . . . . ?
N2 C2 N1 Ag1 -175.74(17) . . . . ?
C1 C2 N1 Ag1 7.6(4) . . . . ?
C8 C3 N1 C2 -0.2(3) . . . . ?
C4 C3 N1 C2 -179.7(3) . . . . ?
C8 C3 N1 Ag1 176.18(16) . . . . ?
C4 C3 N1 Ag1 -3.4(4) . . . . ?
O2 Ag1 N1 C2 16.1(2) 1 . . . ?
O2 Ag1 N1 C2 16.1(2) . . . . ?
C11 Ag1 N1 C2 -167.1(2) . . . . ?
C10 Ag1 N1 C2 -176.3(2) . . . . ?
O2 Ag1 N1 C3 -159.4(2) 1 . . . ?
O2 Ag1 N1 C3 -159.4(2) . . . . ?
C11 Ag1 N1 C3 17.4(2) . . . . ?
C10 Ag1 N1 C3 8.3(3) . . . . ?
C2 N2 C8 C7 -179.1(3) . . . . ?
C9 N2 C8 C7 -1.3(4) . . . . ?
C2 N2 C8 C3 0.3(3) . . . . ?
C9 N2 C8 C3 178.1(2) . . . . ?
N1 C3 C8 N2 -0.1(3) . . . . ?
C4 C3 C8 N2 179.5(2) . . . . ?
N1 C3 C8 C7 179.4(2) . . . . ?
C4 C3 C8 C7 -1.0(4) . . . . ?
N2 C8 C7 C6 179.6(3) . . . . ?
C3 C8 C7 C6 0.3(4) . . . . ?
C6 C5 C4 C3 -1.3(5) . . . . ?
N1 C3 C4 C5 -179.0(3) . . . . ?
C8 C3 C4 C5 1.5(4) . . . . ?
C1 O1 C1 C2 -95.7(2) 2_755 . . . ?
N1 C2 C1 O1 111.0(3) . . . . ?
N2 C2 C1 O1 -65.5(3) . . . . ?
C8 C7 C6 C5 0.0(5) . . . . ?
C4 C5 C6 C7 0.5(6) . . . . ?
N1 Ag1 O2 O2 0.00(9) . . . 1 ?
C11 Ag1 O2 O2 0.00(14) . . . 1 ?
C10 Ag1 O2 O2 0.00(10) . . . 1 ?
N1 Ag1 O2 C12 97.36(18) . . . . ?
O2 Ag1 O2 C12 0(16) 1 . . . ?
C11 Ag1 O2 C12 -77.7(3) . . . . ?
C10 Ag1 O2 C12 -75.26(19) . . . . ?
O2 O2 C12 O3 0.00(8) 1 . . . ?
Ag1 O2 C12 O3 7.7(3) . . . . ?
Ag1 O2 C12 O2 0(100) . . . 1 ?
O2 O2 C12 C13 0.00(19) 1 . . . ?
Ag1 O2 C12 C13 -168.49(19) . . . . ?
N1 Ag1 C10 C11 15.6(3) . . . . ?
O2 Ag1 C10 C11 -177.3(2) 1 . . . ?
O2 Ag1 C10 C11 -177.3(2) . . . . ?
N1 Ag1 C10 C9 -103.5(2) . . . 1_565 ?
O2 Ag1 C10 C9 63.6(2) 1 . . 1_565 ?
O2 Ag1 C10 C9 63.6(2) . . . 1_565 ?
C11 Ag1 C10 C9 -119.1(3) . . . 1_565 ?
C9 C10 C11 Ag1 100.6(2) 1_565 . . . ?
N1 Ag1 C11 C10 -170.52(18) . . . . ?
O2 Ag1 C11 C10 4.3(3) 1 . . . ?
O2 Ag1 C11 C10 4.3(3) . . . . ?
O3 C12 C13 C15 -169.4(3) . . . . ?
O2 C12 C13 C15 7.0(4) 1 . . . ?
O2 C12 C13 C15 7.0(4) . . . . ?
O3 C12 C13 C14 6.8(4) . . . . ?
O2 C12 C13 C14 -176.8(3) 1 . . . ?
O2 C12 C13 C14 -176.8(3) . . . . ?
C2 N2 C9 C10 95.6(3) . . . 1_545 ?
C8 N2 C9 C10 -81.7(3) . . . 1_545 ?

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 H1B O2 0.97 2.43 3.352(4) 158.7 1
C15 H15B O2 0.93 2.44 2.759(5) 100.0 1
C7 H7 O3 0.93 2.48 3.369(4) 160.0 5_755

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.098
