# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C62 H56 Ag2 N18 O16'
_chemical_formula_weight         1524.99

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                   9.5997(12)
_cell_length_b                   10.9697(15)
_cell_length_c                   15.236(2)
_cell_angle_alpha                99.118(2)
_cell_angle_beta                 96.954(2)
_cell_angle_gamma                94.303(2)
_cell_volume                     1565.2(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5161
_cell_measurement_theta_min      2.95
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            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    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             776
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_T_max  0.808
_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            12722
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.99
_diffrn_reflns_theta_max         25.49
_reflns_number_total             5736
_reflns_number_gt                5178
_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
In the refinement, several constrains were applied:
Restraints on the anisotropic temperature factors (ISOR instruction in SHELXL97)
were used to obtain more meaningful anisotropic displacement ellipsoids, 
ISOR for C58 C59 atoms.  
All H atoms attached to C atoms except for DMF groups were fixed geometrically and treated as riding with C-H = 0.93 Å with Uiso(H) = 1.2Ueq(C).
All H atoms attached to N atoms were fixed geometrically and treated as riding with N-H =0.86 Å with Uiso(H) = 1.2 Ueq(N). 
In the last stage of refinement, H atoms attached to C58 and C59 atoms at DMF groups
were also calculated geometrically and included into the refinement with C-H = 0.96 Å, Uiso(H) = 1.5 Ueq(C). 
;

_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)+(0.0483P)²+1.7808P] 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         5736
_refine_ls_number_parameters     445
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.1053
_refine_ls_wR_factor_gt          0.0984
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.116
_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 0.71184(2) 0.04868(2) 0.592613(15) 0.02728(10) Uani 1 1 d . . .
N1 N 0.3090(3) -0.1542(3) 0.68491(19) 0.0280(6) Uani 1 1 d . . .
N2 N 0.1257(3) 0.0542(3) 0.65637(18) 0.0284(6) Uani 1 1 d . . .
H2 H 0.1079 0.0403 0.7081 0.034 Uiso 1 1 calc R . .
N3 N 0.1937(3) 0.0226(2) 0.52091(16) 0.0218(5) Uani 1 1 d . . .
N4 N 0.4264(3) 0.0870(2) 0.78676(17) 0.0236(6) Uani 1 1 d . . .
H4A H 0.3533 0.0588 0.8075 0.028 Uiso 1 1 calc R . .
N5 N 0.6002(3) 0.0945(2) 0.70300(17) 0.0235(6) Uani 1 1 d . . .
C1 C 0.4913(3) 0.0261(3) 0.72143(19) 0.0220(6) Uani 1 1 d . . .
C2 C 0.4991(3) 0.2032(3) 0.8142(2) 0.0235(6) Uani 1 1 d . . .
C3 C 0.4781(4) 0.3047(3) 0.8772(2) 0.0295(7) Uani 1 1 d . . .
H3 H 0.4028 0.3031 0.9102 0.035 Uiso 1 1 calc R . .
C4 C 0.5741(4) 0.4071(3) 0.8884(2) 0.0350(8) Uani 1 1 d . . .
H4 H 0.5640 0.4761 0.9304 0.042 Uiso 1 1 calc R . .
C5 C 0.6870(4) 0.4106(3) 0.8381(2) 0.0348(8) Uani 1 1 d . . .
H5 H 0.7507 0.4812 0.8484 0.042 Uiso 1 1 calc R . .
C6 C 0.7059(4) 0.3116(3) 0.7734(2) 0.0288(7) Uani 1 1 d . . .
H6 H 0.7794 0.3148 0.7390 0.035 Uiso 1 1 calc R . .
C7 C 0.6095(3) 0.2067(3) 0.7622(2) 0.0223(6) Uani 1 1 d . . .
C8 C 0.4505(4) -0.1062(3) 0.6762(2) 0.0280(7) Uani 1 1 d . . .
H8A H 0.4591 -0.1121 0.6129 0.034 Uiso 1 1 calc R . .
H8B H 0.5167 -0.1583 0.7012 0.034 Uiso 1 1 calc R . .
C9 C 0.2885(3) -0.2323(3) 0.7478(2) 0.0253(7) Uani 1 1 d . . .
C10 C 0.3867(4) -0.2209(3) 0.8255(2) 0.0320(8) Uani 1 1 d . . .
H10 H 0.4648 -0.1628 0.8339 0.038 Uiso 1 1 calc R . .
C11 C 0.3690(5) -0.2948(4) 0.8898(3) 0.0410(9) Uani 1 1 d . . .
H11 H 0.4356 -0.2857 0.9406 0.049 Uiso 1 1 calc R . .
C12 C 0.2539(5) -0.3819(4) 0.8796(3) 0.0463(10) Uani 1 1 d . . .
H12 H 0.2431 -0.4318 0.9228 0.056 Uiso 1 1 calc R . .
C13 C 0.1559(5) -0.3933(4) 0.8045(3) 0.0429(10) Uani 1 1 d . . .
H13 H 0.0776 -0.4510 0.7975 0.052 Uiso 1 1 calc R . .
C14 C 0.1711(4) -0.3200(3) 0.7381(2) 0.0312(7) Uani 1 1 d . . .
H14 H 0.1036 -0.3296 0.6877 0.037 Uiso 1 1 calc R . .
C15 C 0.2040(4) -0.1542(3) 0.6072(2) 0.0344(8) Uani 1 1 d . . .
H15A H 0.1166 -0.1989 0.6151 0.041 Uiso 1 1 calc R . .
H15B H 0.2366 -0.1970 0.5539 0.041 Uiso 1 1 calc R . .
C16 C 0.1770(3) -0.0253(3) 0.5943(2) 0.0247(7) Uani 1 1 d . . .
C17 C 0.1068(3) 0.1621(3) 0.6223(2) 0.0249(7) Uani 1 1 d . . .
C18 C 0.0566(4) 0.2736(4) 0.6574(2) 0.0398(9) Uani 1 1 d . . .
H18 H 0.0299 0.2873 0.7145 0.048 Uiso 1 1 calc R . .
C19 C 0.0488(5) 0.3615(4) 0.6028(3) 0.0455(10) Uani 1 1 d . . .
H19 H 0.0129 0.4358 0.6229 0.055 Uiso 1 1 calc R . .
C20 C 0.0931(4) 0.3435(4) 0.5181(3) 0.0420(9) Uani 1 1 d . . .
H20 H 0.0874 0.4066 0.4840 0.050 Uiso 1 1 calc R . .
C21 C 0.1454(4) 0.2341(3) 0.4832(2) 0.0302(7) Uani 1 1 d . . .
H21 H 0.1762 0.2228 0.4272 0.036 Uiso 1 1 calc R . .
C22 C 0.1493(3) 0.1416(3) 0.5367(2) 0.0238(7) Uani 1 1 d . . .
O1 O 1.1913(3) 0.3653(3) -0.01525(18) 0.0437(7) Uani 1 1 d . . .
O2 O 1.0175(3) 0.3044(3) -0.12140(18) 0.0505(8) Uani 1 1 d . . .
O3 O 0.6727(3) -0.0120(3) -0.09593(16) 0.0427(7) Uani 1 1 d . . .
O4 O 0.6410(3) -0.0680(3) 0.03020(17) 0.0476(7) Uani 1 1 d . . .
O5 O 1.1038(3) 0.0394(3) 0.2637(2) 0.0564(9) Uani 1 1 d . . .
O6 O 1.2069(3) 0.2186(3) 0.26023(18) 0.0553(8) Uani 1 1 d . . .
O7 O 0.8491(2) -0.0101(2) 0.16601(14) 0.0270(5) Uani 1 1 d . . .
N11 N 1.0796(3) 0.3015(3) -0.0464(2) 0.0333(7) Uani 1 1 d . . .
N12 N 1.1198(3) 0.1303(3) 0.22743(19) 0.0342(7) Uani 1 1 d . . .
N13 N 0.7084(3) -0.0079(3) -0.01438(18) 0.0254(6) Uani 1 1 d . . .
C45 C 1.0191(3) 0.2187(3) 0.0077(2) 0.0250(7) Uani 1 1 d . . .
C46 C 1.0910(3) 0.2125(3) 0.0908(2) 0.0251(7) Uani 1 1 d . . .
H46 H 1.1755 0.2614 0.1118 0.030 Uiso 1 1 calc R . .
C47 C 1.0365(3) 0.1335(3) 0.1421(2) 0.0237(7) Uani 1 1 d . . .
C48 C 0.9014(3) 0.0564(3) 0.11686(19) 0.0206(6) Uani 1 1 d . . .
C49 C 0.8373(3) 0.0688(3) 0.0272(2) 0.0217(6) Uani 1 1 d . . .
C50 C 0.8933(3) 0.1467(3) -0.0250(2) 0.0241(7) Uani 1 1 d . . .
H50 H 0.8470 0.1509 -0.0815 0.029 Uiso 1 1 calc R . .
O15 O 0.4152(5) 0.7428(4) 0.4674(2) 0.0796(13) Uani 1 1 d . . .
N16 N 0.4735(4) 0.5670(3) 0.3876(2) 0.0407(8) Uani 1 1 d . . .
C57 C 0.4922(5) 0.6864(4) 0.4203(3) 0.0465(10) Uani 1 1 d . . .
H57 H 0.5702 0.7315 0.4066 0.056 Uiso 1 1 calc R . .
C58 C 0.3515(7) 0.4940(6) 0.4029(4) 0.0807(17) Uani 1 1 d U . .
H58A H 0.3003 0.5438 0.4431 0.121 Uiso 1 1 calc R . .
H58B H 0.3803 0.4242 0.4289 0.121 Uiso 1 1 calc R . .
H58C H 0.2922 0.4652 0.3469 0.121 Uiso 1 1 calc R . .
C59 C 0.5691(7) 0.5070(7) 0.3331(4) 0.0902(19) Uani 1 1 d U . .
H59A H 0.6408 0.5676 0.3237 0.135 Uiso 1 1 calc R . .
H59B H 0.5182 0.4677 0.2763 0.135 Uiso 1 1 calc R . .
H59C H 0.6121 0.4458 0.3630 0.135 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 N3 2.118(2) 2_656 ?
Ag1 N5 2.116(3) . ?
N1 C9 1.404(4) . ?
N1 C8 1.449(4) . ?
N1 C15 1.460(4) . ?
N2 C16 1.346(4) . ?
N2 C17 1.381(4) . ?
N2 H2 0.8600 . ?
N3 C16 1.330(4) . ?
N3 C22 1.397(4) . ?
N3 Ag1 2.118(2) 2_656 ?
N4 C1 1.352(4) . ?
N4 C2 1.383(4) . ?
N4 H4A 0.8600 . ?
N5 C1 1.325(4) . ?
N5 C7 1.396(4) . ?
C1 C8 1.505(5) . ?
C2 C3 1.395(5) . ?
C2 C7 1.399(4) . ?
C3 C4 1.373(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.402(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.396(5) . ?
C6 H6 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.404(5) . ?
C9 C14 1.403(5) . ?
C10 C11 1.384(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.373(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.403(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.495(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C17 C18 1.399(5) . ?
C17 C22 1.403(4) . ?
C18 C19 1.370(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.398(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.388(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.398(5) . ?
C21 H21 0.9300 . ?
O1 N11 1.234(4) . ?
O2 N11 1.229(4) . ?
O3 N13 1.241(4) . ?
O4 N13 1.224(4) . ?
O5 N12 1.223(4) . ?
O6 N12 1.230(4) . ?
O7 C48 1.247(4) . ?
N11 C45 1.455(4) . ?
N12 C47 1.449(4) . ?
N13 C49 1.458(4) . ?
C45 C46 1.381(5) . ?
C45 C50 1.385(5) . ?
C46 C47 1.371(5) . ?
C46 H46 0.9300 . ?
C47 C48 1.469(4) . ?
C48 C49 1.459(4) . ?
C49 C50 1.380(4) . ?
C50 H50 0.9300 . ?
O15 C57 1.224(5) . ?
N16 C57 1.316(5) . ?
N16 C58 1.431(7) . ?
N16 C59 1.438(6) . ?
C57 H57 0.9300 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 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
N3 Ag1 N5 171.67(10) 2_656 . ?
C9 N1 C8 119.8(3) . . ?
C9 N1 C15 121.6(3) . . ?
C8 N1 C15 115.0(3) . . ?
C16 N2 C17 107.9(3) . . ?
C16 N2 H2 126.1 . . ?
C17 N2 H2 126.1 . . ?
C16 N3 C22 105.6(2) . . ?
C16 N3 Ag1 129.8(2) . 2_656 ?
C22 N3 Ag1 124.3(2) . 2_656 ?
C1 N4 C2 107.4(3) . . ?
C1 N4 H4A 126.3 . . ?
C2 N4 H4A 126.3 . . ?
C1 N5 C7 105.6(3) . . ?
C1 N5 Ag1 125.3(2) . . ?
C7 N5 Ag1 128.4(2) . . ?
N5 C1 N4 112.4(3) . . ?
N5 C1 C8 122.7(3) . . ?
N4 C1 C8 124.9(3) . . ?
N4 C2 C3 132.5(3) . . ?
N4 C2 C7 105.8(3) . . ?
C3 C2 C7 121.8(3) . . ?
C4 C3 C2 116.8(3) . . ?
C4 C3 H3 121.6 . . ?
C2 C3 H3 121.6 . . ?
C3 C4 C5 121.8(3) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C6 C5 C4 121.6(3) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C5 C6 C7 116.9(3) . . ?
C5 C6 H6 121.6 . . ?
C7 C6 H6 121.6 . . ?
C6 C7 N5 130.2(3) . . ?
C6 C7 C2 121.0(3) . . ?
N5 C7 C2 108.8(3) . . ?
N1 C8 C1 114.6(3) . . ?
N1 C8 H8A 108.6 . . ?
C1 C8 H8A 108.6 . . ?
N1 C8 H8B 108.6 . . ?
C1 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
N1 C9 C10 119.3(3) . . ?
N1 C9 C14 122.9(3) . . ?
C10 C9 C14 117.7(3) . . ?
C11 C10 C9 121.1(4) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C12 C11 C10 121.0(4) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C13 C12 C11 118.7(3) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 C14 121.6(4) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C13 C14 C9 119.9(3) . . ?
C13 C14 H14 120.1 . . ?
C9 C14 H14 120.1 . . ?
N1 C15 C16 111.7(3) . . ?
N1 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
N1 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
N3 C16 N2 112.3(3) . . ?
N3 C16 C15 125.3(3) . . ?
N2 C16 C15 122.4(3) . . ?
N2 C17 C18 132.3(3) . . ?
N2 C17 C22 105.6(3) . . ?
C18 C17 C22 122.2(3) . . ?
C19 C18 C17 116.3(3) . . ?
C19 C18 H18 121.8 . . ?
C17 C18 H18 121.8 . . ?
C18 C19 C20 122.2(3) . . ?
C18 C19 H19 118.9 . . ?
C20 C19 H19 118.9 . . ?
C21 C20 C19 121.9(3) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C20 C21 C22 116.6(3) . . ?
C20 C21 H21 121.7 . . ?
C22 C21 H21 121.7 . . ?
C21 C22 N3 130.5(3) . . ?
C21 C22 C17 120.8(3) . . ?
N3 C22 C17 108.7(3) . . ?
O2 N11 O1 122.9(3) . . ?
O2 N11 C45 118.5(3) . . ?
O1 N11 C45 118.6(3) . . ?
O5 N12 O6 122.0(3) . . ?
O5 N12 C47 119.4(3) . . ?
O6 N12 C47 118.6(3) . . ?
O4 N13 O3 122.0(3) . . ?
O4 N13 C49 120.2(3) . . ?
O3 N13 C49 117.7(3) . . ?
C46 C45 C50 121.4(3) . . ?
C46 C45 N11 118.6(3) . . ?
C50 C45 N11 120.0(3) . . ?
C47 C46 C45 119.3(3) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C46 C47 N12 115.9(3) . . ?
C46 C47 C48 124.6(3) . . ?
N12 C47 C48 119.5(3) . . ?
O7 C48 C49 125.0(3) . . ?
O7 C48 C47 124.1(3) . . ?
C49 C48 C47 110.9(3) . . ?
C50 C49 N13 115.4(3) . . ?
C50 C49 C48 124.4(3) . . ?
N13 C49 C48 120.1(3) . . ?
C49 C50 C45 119.3(3) . . ?
C49 C50 H50 120.4 . . ?
C45 C50 H50 120.4 . . ?
C57 N16 C58 119.8(4) . . ?
C57 N16 C59 122.0(5) . . ?
C58 N16 C59 118.1(5) . . ?
O15 C57 N16 125.3(5) . . ?
O15 C57 H57 117.4 . . ?
N16 C57 H57 117.4 . . ?
N16 C58 H58A 109.5 . . ?
N16 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
N16 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N16 C59 H59A 109.5 . . ?
N16 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
N16 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 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
N3 Ag1 N5 C1 -9.1(8) 2_656 . . . ?
N3 Ag1 N5 C7 -178.6(5) 2_656 . . . ?
C7 N5 C1 N4 1.8(3) . . . . ?
Ag1 N5 C1 N4 -169.67(19) . . . . ?
C7 N5 C1 C8 -175.9(3) . . . . ?
Ag1 N5 C1 C8 12.6(4) . . . . ?
C2 N4 C1 N5 -0.9(3) . . . . ?
C2 N4 C1 C8 176.8(3) . . . . ?
C1 N4 C2 C3 178.5(3) . . . . ?
C1 N4 C2 C7 -0.4(3) . . . . ?
N4 C2 C3 C4 179.1(3) . . . . ?
C7 C2 C3 C4 -2.2(5) . . . . ?
C2 C3 C4 C5 0.8(5) . . . . ?
C3 C4 C5 C6 1.2(6) . . . . ?
C4 C5 C6 C7 -1.7(5) . . . . ?
C5 C6 C7 N5 179.4(3) . . . . ?
C5 C6 C7 C2 0.3(5) . . . . ?
C1 N5 C7 C6 178.9(3) . . . . ?
Ag1 N5 C7 C6 -10.0(5) . . . . ?
C1 N5 C7 C2 -2.0(3) . . . . ?
Ag1 N5 C7 C2 169.1(2) . . . . ?
N4 C2 C7 C6 -179.3(3) . . . . ?
C3 C2 C7 C6 1.7(5) . . . . ?
N4 C2 C7 N5 1.4(3) . . . . ?
C3 C2 C7 N5 -177.6(3) . . . . ?
C9 N1 C8 C1 -101.5(3) . . . . ?
C15 N1 C8 C1 99.6(3) . . . . ?
N5 C1 C8 N1 -163.2(3) . . . . ?
N4 C1 C8 N1 19.4(4) . . . . ?
C8 N1 C9 C10 28.2(4) . . . . ?
C15 N1 C9 C10 -174.3(3) . . . . ?
C8 N1 C9 C14 -153.7(3) . . . . ?
C15 N1 C9 C14 3.8(5) . . . . ?
N1 C9 C10 C11 179.0(3) . . . . ?
C14 C9 C10 C11 0.7(5) . . . . ?
C9 C10 C11 C12 -0.2(6) . . . . ?
C10 C11 C12 C13 -0.6(6) . . . . ?
C11 C12 C13 C14 0.8(6) . . . . ?
C12 C13 C14 C9 -0.2(5) . . . . ?
N1 C9 C14 C13 -178.7(3) . . . . ?
C10 C9 C14 C13 -0.5(5) . . . . ?
C9 N1 C15 C16 134.0(3) . . . . ?
C8 N1 C15 C16 -67.5(4) . . . . ?
C22 N3 C16 N2 -0.3(4) . . . . ?
Ag1 N3 C16 N2 173.0(2) 2_656 . . . ?
C22 N3 C16 C15 176.9(3) . . . . ?
Ag1 N3 C16 C15 -9.8(5) 2_656 . . . ?
C17 N2 C16 N3 0.1(4) . . . . ?
C17 N2 C16 C15 -177.2(3) . . . . ?
N1 C15 C16 N3 121.7(4) . . . . ?
N1 C15 C16 N2 -61.4(4) . . . . ?
C16 N2 C17 C18 179.7(4) . . . . ?
C16 N2 C17 C22 0.2(4) . . . . ?
N2 C17 C18 C19 -178.4(4) . . . . ?
C22 C17 C18 C19 1.0(6) . . . . ?
C17 C18 C19 C20 -2.2(6) . . . . ?
C18 C19 C20 C21 1.2(7) . . . . ?
C19 C20 C21 C22 1.1(6) . . . . ?
C20 C21 C22 N3 179.3(3) . . . . ?
C20 C21 C22 C17 -2.2(5) . . . . ?
C16 N3 C22 C21 179.1(3) . . . . ?
Ag1 N3 C22 C21 5.3(5) 2_656 . . . ?
C16 N3 C22 C17 0.4(4) . . . . ?
Ag1 N3 C22 C17 -173.4(2) 2_656 . . . ?
N2 C17 C22 C21 -179.2(3) . . . . ?
C18 C17 C22 C21 1.2(5) . . . . ?
N2 C17 C22 N3 -0.4(4) . . . . ?
C18 C17 C22 N3 -179.9(3) . . . . ?
O2 N11 C45 C46 178.1(3) . . . . ?
O1 N11 C45 C46 -1.6(5) . . . . ?
O2 N11 C45 C50 -0.9(5) . . . . ?
O1 N11 C45 C50 179.4(3) . . . . ?
C50 C45 C46 C47 0.0(5) . . . . ?
N11 C45 C46 C47 -179.0(3) . . . . ?
C45 C46 C47 N12 178.6(3) . . . . ?
C45 C46 C47 C48 -2.8(5) . . . . ?
O5 N12 C47 C46 -157.8(3) . . . . ?
O6 N12 C47 C46 20.7(5) . . . . ?
O5 N12 C47 C48 23.5(5) . . . . ?
O6 N12 C47 C48 -158.0(3) . . . . ?
C46 C47 C48 O7 -176.0(3) . . . . ?
N12 C47 C48 O7 2.6(5) . . . . ?
C46 C47 C48 C49 3.9(4) . . . . ?
N12 C47 C48 C49 -177.5(3) . . . . ?
O4 N13 C49 C50 -170.6(3) . . . . ?
O3 N13 C49 C50 11.3(4) . . . . ?
O4 N13 C49 C48 11.7(4) . . . . ?
O3 N13 C49 C48 -166.4(3) . . . . ?
O7 C48 C49 C50 177.1(3) . . . . ?
C47 C48 C49 C50 -2.8(4) . . . . ?
O7 C48 C49 N13 -5.4(4) . . . . ?
C47 C48 C49 N13 174.7(3) . . . . ?
N13 C49 C50 C45 -177.1(3) . . . . ?
C48 C49 C50 C45 0.5(5) . . . . ?
C46 C45 C50 C49 1.1(5) . . . . ?
N11 C45 C50 C49 -179.9(3) . . . . ?
C58 N16 C57 O15 3.1(6) . . . . ?
C59 N16 C57 O15 -179.7(4) . . . . ?

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
C10 H10 O3 0.93 2.51 3.408(5) 163.1 1_556
C18 H18 O2 0.93 2.49 3.403(5) 165.4 1_456
C3 H3 O1 0.93 2.53 3.425(4) 161.7 1_456
C50 H50 O3 0.93 2.32 2.642(4) 99.8 .
N2 H2 N4 0.86 3.12 3.261(4) 91.8 .

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         0.746
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.095
_database_code_depnum_ccdc_archive 'CCDC 1002281'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H58 Ag N13 O8'
_chemical_formula_weight         1173.04

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                   14.0351(16)
_cell_length_b                   15.1423(12)
_cell_length_c                   15.6532(18)
_cell_angle_alpha                106.739(8)
_cell_angle_beta                 116.2520(10)
_cell_angle_gamma                98.591(7)
_cell_volume                     2704.7(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8336
_cell_measurement_theta_min      1.51
_cell_measurement_theta_max      25.55

_exptl_crystal_description       block
_exptl_crystal_colour            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    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1216
_exptl_absorpt_coefficient_mu    0.442
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_T_max  0.876
_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            19886
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         25.50
_reflns_number_total             9899
_reflns_number_gt                8329
_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
In the refinement, several constrains were applied:
Restraints on the anisotropic temperature factors (ISOR instructions in SHELXL97)
were used to obtain more meaningful anisotropic displacement ellipsoids, ISOR for O6 atoms. 
All H atoms attached to C atoms except for diethyl ether groups were fixed geometrically and 
treated as riding with C-H = 0.93 or 0.97 Å with Uiso(H) = 1.2 Ueq(C). In the last stage of refinement,
H atoms attached to C56 and C58 atoms at diethyl ether groups were also calculated geometrically and
included into the refinement with C-H = 0.96 Å, Uiso(H) = 1.5 Ueq(C).  
;

_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)+(0.0549P)²+2.0470P] 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         9899
_refine_ls_number_parameters     727
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.1060
_refine_ls_wR_factor_gt          0.0985
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.013
_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 0.288094(18) 0.383686(16) 0.175803(17) 0.02580(8) Uani 1 1 d . . .
N1 N 0.26855(19) 0.62647(17) 0.38188(18) 0.0231(5) Uani 1 1 d . . .
N2 N 0.02910(19) 0.53957(17) 0.14764(18) 0.0238(5) Uani 1 1 d . . .
N3 N 0.14084(19) 0.44880(17) 0.14615(18) 0.0241(5) Uani 1 1 d . . .
N4 N 0.51310(19) 0.62148(17) 0.48743(18) 0.0251(5) Uani 1 1 d . . .
N5 N 0.42888(19) 0.48897(17) 0.33903(18) 0.0229(5) Uani 1 1 d . . .
N6 N 0.2766(2) 0.13332(17) -0.05185(19) 0.0259(5) Uani 1 1 d . . .
N7 N 0.2092(2) 0.06123(18) 0.0903(2) 0.0310(6) Uani 1 1 d . . .
N8 N 0.2317(2) 0.22048(17) 0.14551(19) 0.0273(5) Uani 1 1 d . . .
N9 N 0.2535(2) 0.32479(17) -0.13553(18) 0.0256(5) Uani 1 1 d . . .
N10 N 0.31021(19) 0.36339(17) 0.03264(18) 0.0236(5) Uani 1 1 d . . .
C1 C 0.1913(2) 0.6519(2) 0.4136(2) 0.0239(6) Uani 1 1 d . . .
C2 C 0.1855(3) 0.7465(2) 0.4319(2) 0.0289(7) Uani 1 1 d . . .
H2 H 0.2308 0.7902 0.4231 0.035 Uiso 1 1 calc R . .
C3 C 0.1129(3) 0.7754(2) 0.4627(2) 0.0332(7) Uani 1 1 d . . .
H3 H 0.1092 0.8383 0.4740 0.040 Uiso 1 1 calc R . .
C4 C 0.0456(3) 0.7115(3) 0.4769(3) 0.0381(8) Uani 1 1 d . . .
H4 H -0.0032 0.7309 0.4978 0.046 Uiso 1 1 calc R . .
C5 C 0.0518(3) 0.6186(3) 0.4597(3) 0.0391(8) Uani 1 1 d . . .
H5 H 0.0073 0.5755 0.4698 0.047 Uiso 1 1 calc R . .
C6 C 0.1237(2) 0.5880(2) 0.4276(2) 0.0306(7) Uani 1 1 d . . .
H6 H 0.1263 0.5248 0.4156 0.037 Uiso 1 1 calc R . .
C7 C 0.2385(2) 0.6209(2) 0.2768(2) 0.0217(6) Uani 1 1 d . . .
H7A H 0.3019 0.6167 0.2677 0.026 Uiso 1 1 calc R . .
H7B H 0.2250 0.6807 0.2720 0.026 Uiso 1 1 calc R . .
C8 C 0.1369(2) 0.5361(2) 0.1899(2) 0.0214(6) Uani 1 1 d . . .
C9 C -0.0108(3) 0.6209(2) 0.1757(2) 0.0305(7) Uani 1 1 d . . .
H9A H -0.0362 0.6149 0.2221 0.046 Uiso 1 1 calc R . .
H9B H -0.0717 0.6201 0.1141 0.046 Uiso 1 1 calc R . .
H9C H 0.0493 0.6811 0.2093 0.046 Uiso 1 1 calc R . .
C10 C -0.0398(2) 0.4483(2) 0.0707(2) 0.0235(6) Uani 1 1 d . . .
C11 C -0.1560(2) 0.4108(2) 0.0013(2) 0.0299(7) Uani 1 1 d . . .
H11 H -0.2025 0.4482 0.0028 0.036 Uiso 1 1 calc R . .
C12 C -0.1980(3) 0.3154(2) -0.0694(2) 0.0323(7) Uani 1 1 d . . .
H12 H -0.2747 0.2880 -0.1170 0.039 Uiso 1 1 calc R . .
C13 C -0.1281(3) 0.2589(2) -0.0712(2) 0.0333(7) Uani 1 1 d . . .
H13 H -0.1593 0.1952 -0.1208 0.040 Uiso 1 1 calc R . .
C14 C -0.0138(3) 0.2953(2) -0.0011(2) 0.0309(7) Uani 1 1 d . . .
H14 H 0.0320 0.2568 -0.0015 0.037 Uiso 1 1 calc R . .
C15 C 0.0301(2) 0.3915(2) 0.0700(2) 0.0235(6) Uani 1 1 d . . .
C16 C 0.3050(2) 0.5455(2) 0.4027(2) 0.0233(6) Uani 1 1 d . . .
H16A H 0.2489 0.4843 0.3480 0.028 Uiso 1 1 calc R . .
H16B H 0.3125 0.5477 0.4680 0.028 Uiso 1 1 calc R . .
C17 C 0.4152(2) 0.5512(2) 0.4080(2) 0.0222(6) Uani 1 1 d . . .
C18 C 0.5287(3) 0.7015(2) 0.5766(2) 0.0344(7) Uani 1 1 d . . .
H18A H 0.4613 0.7187 0.5576 0.052 Uiso 1 1 calc R . .
H18B H 0.5897 0.7569 0.5975 0.052 Uiso 1 1 calc R . .
H18C H 0.5456 0.6815 0.6331 0.052 Uiso 1 1 calc R . .
C19 C 0.5969(2) 0.6032(2) 0.4683(2) 0.0262(6) Uani 1 1 d . . .
C20 C 0.7124(3) 0.6509(2) 0.5226(3) 0.0349(7) Uani 1 1 d . . .
H20 H 0.7471 0.7070 0.5834 0.042 Uiso 1 1 calc R . .
C21 C 0.7724(3) 0.6107(3) 0.4815(3) 0.0397(8) Uani 1 1 d . . .
H21 H 0.8496 0.6401 0.5160 0.048 Uiso 1 1 calc R . .
C22 C 0.7209(3) 0.5273(3) 0.3898(3) 0.0398(8) Uani 1 1 d . . .
H22 H 0.7647 0.5024 0.3651 0.048 Uiso 1 1 calc R . .
C23 C 0.6055(3) 0.4804(2) 0.3343(2) 0.0306(7) Uani 1 1 d . . .
H23 H 0.5712 0.4252 0.2727 0.037 Uiso 1 1 calc R . .
C24 C 0.5435(2) 0.5199(2) 0.3753(2) 0.0248(6) Uani 1 1 d . . .
C25 C 0.3398(2) 0.1166(2) -0.1023(2) 0.0277(6) Uani 1 1 d . . .
C26 C 0.2816(3) 0.0646(2) -0.2101(3) 0.0370(8) Uani 1 1 d . . .
H26 H 0.2035 0.0424 -0.2467 0.044 Uiso 1 1 calc R . .
C27 C 0.3382(4) 0.0455(3) -0.2630(3) 0.0497(10) Uani 1 1 d . . .
H27 H 0.2982 0.0111 -0.3347 0.060 Uiso 1 1 calc R . .
C28 C 0.4542(4) 0.0776(3) -0.2093(4) 0.0547(10) Uani 1 1 d . . .
H28 H 0.4926 0.0655 -0.2447 0.066 Uiso 1 1 calc R . .
C29 C 0.5122(3) 0.1275(3) -0.1031(3) 0.0505(10) Uani 1 1 d . . .
H29 H 0.5902 0.1483 -0.0670 0.061 Uiso 1 1 calc R . .
C30 C 0.4568(3) 0.1476(2) -0.0489(3) 0.0367(8) Uani 1 1 d . . .
H30 H 0.4976 0.1816 0.0229 0.044 Uiso 1 1 calc R . .
C31 C 0.3397(2) 0.1652(2) 0.0618(2) 0.0283(6) Uani 1 1 d . . .
H31A H 0.3838 0.2335 0.0940 0.034 Uiso 1 1 calc R . .
H31B H 0.3909 0.1283 0.0806 0.034 Uiso 1 1 calc R . .
C32 C 0.2617(2) 0.1504(2) 0.1005(2) 0.0270(6) Uani 1 1 d . . .
C33 C 0.2246(3) -0.0317(2) 0.0463(3) 0.0427(8) Uani 1 1 d . . .
H33A H 0.2513 -0.0277 0.0002 0.064 Uiso 1 1 calc R . .
H33B H 0.1543 -0.0833 0.0086 0.064 Uiso 1 1 calc R . .
H33C H 0.2784 -0.0448 0.1015 0.064 Uiso 1 1 calc R . .
C34 C 0.1407(3) 0.0745(2) 0.1308(2) 0.0288(7) Uani 1 1 d . . .
C35 C 0.0697(3) 0.0104(2) 0.1426(3) 0.0389(8) Uani 1 1 d . . .
H35 H 0.0616 -0.0556 0.1215 0.047 Uiso 1 1 calc R . .
C36 C 0.0117(3) 0.0501(3) 0.1873(3) 0.0408(8) Uani 1 1 d . . .
H36 H -0.0369 0.0094 0.1959 0.049 Uiso 1 1 calc R . .
C37 C 0.0241(3) 0.1492(3) 0.2199(3) 0.0385(8) Uani 1 1 d . . .
H37 H -0.0163 0.1730 0.2496 0.046 Uiso 1 1 calc R . .
C38 C 0.0949(3) 0.2130(2) 0.2090(2) 0.0329(7) Uani 1 1 d . . .
H38 H 0.1024 0.2790 0.2300 0.039 Uiso 1 1 calc R . .
C39 C 0.1549(2) 0.1740(2) 0.1649(2) 0.0273(6) Uani 1 1 d . . .
C40 C 0.1988(2) 0.1880(2) -0.0874(2) 0.0237(6) Uani 1 1 d . . .
H40A H 0.1526 0.1869 -0.0562 0.028 Uiso 1 1 calc R . .
H40B H 0.1494 0.1547 -0.1621 0.028 Uiso 1 1 calc R . .
C41 C 0.2546(2) 0.2923(2) -0.0621(2) 0.0234(6) Uani 1 1 d . . .
C42 C 0.1943(3) 0.2692(2) -0.2478(2) 0.0388(8) Uani 1 1 d . . .
H42A H 0.2244 0.2178 -0.2629 0.058 Uiso 1 1 calc R . .
H42B H 0.2037 0.3115 -0.2808 0.058 Uiso 1 1 calc R . .
H42C H 0.1159 0.2418 -0.2733 0.058 Uiso 1 1 calc R . .
C43 C 0.3126(2) 0.4235(2) -0.0848(2) 0.0261(6) Uani 1 1 d . . .
C44 C 0.3375(3) 0.4932(2) -0.1203(3) 0.0346(7) Uani 1 1 d . . .
H44 H 0.3130 0.4775 -0.1902 0.042 Uiso 1 1 calc R . .
C45 C 0.4005(3) 0.5866(2) -0.0463(3) 0.0379(8) Uani 1 1 d . . .
H45 H 0.4188 0.6352 -0.0669 0.046 Uiso 1 1 calc R . .
C46 C 0.4380(2) 0.6104(2) 0.0596(3) 0.0330(7) Uani 1 1 d . . .
H46 H 0.4809 0.6741 0.1075 0.040 Uiso 1 1 calc R . .
C47 C 0.4124(2) 0.5413(2) 0.0933(2) 0.0277(6) Uani 1 1 d . . .
H47 H 0.4370 0.5574 0.1633 0.033 Uiso 1 1 calc R . .
C48 C 0.3485(2) 0.4464(2) 0.0203(2) 0.0219(6) Uani 1 1 d . . .
O1 O 0.1144(2) -0.10235(17) 0.29713(19) 0.0503(7) Uani 1 1 d . . .
O2 O -0.0213(2) -0.06231(19) 0.3790(2) 0.0625(8) Uani 1 1 d . . .
O3 O -0.0025(2) 0.09023(19) 0.4173(2) 0.0528(7) Uani 1 1 d . . .
O4 O 0.3794(2) 0.29046(19) 0.6908(2) 0.0522(7) Uani 1 1 d . . .
O5 O 0.5140(2) 0.2653(2) 0.6643(2) 0.0635(8) Uani 1 1 d . . .
O6 O 0.4101(5) -0.0011(3) 0.3401(5) 0.151(2) Uani 1 1 d U . .
O7 O 0.3169(3) -0.1342(2) 0.3262(3) 0.0768(10) Uani 1 1 d . . .
N11 N 0.0354(2) 0.0220(2) 0.4102(2) 0.0377(7) Uani 1 1 d . . .
N12 N 0.4156(2) 0.2417(2) 0.6416(2) 0.0427(7) Uani 1 1 d . . .
N13 N 0.3448(4) -0.0457(3) 0.3552(3) 0.0684(11) Uani 1 1 d . . .
C49 C 0.1820(3) -0.0265(2) 0.3751(2) 0.0341(7) Uani 1 1 d . . .
C54 C 0.1520(2) 0.0420(2) 0.4372(2) 0.0293(7) Uani 1 1 d . . .
C53 C 0.2261(3) 0.1278(2) 0.5210(2) 0.0290(7) Uani 1 1 d . . .
H53 H 0.2009 0.1684 0.5572 0.035 Uiso 1 1 calc R . .
C52 C 0.3380(3) 0.1531(2) 0.5508(2) 0.0325(7) Uani 1 1 d . . .
C51 C 0.3761(3) 0.0960(3) 0.4962(3) 0.0412(8) Uani 1 1 d . . .
H51 H 0.4513 0.1149 0.5155 0.049 Uiso 1 1 calc R . .
C50 C 0.3014(3) 0.0102(3) 0.4122(3) 0.0401(8) Uani 1 1 d . . .
O20 O 0.6988(3) 0.2690(2) 0.1930(2) 0.0663(8) Uani 1 1 d . . .
C55 C 0.7798(4) 0.2791(4) 0.1616(4) 0.0718(13) Uani 1 1 d . . .
H55A H 0.7485 0.2932 0.0999 0.086 Uiso 1 1 calc R . .
H55B H 0.7938 0.2176 0.1431 0.086 Uiso 1 1 calc R . .
C58 C 0.6320(4) 0.2110(4) 0.2884(4) 0.0765(14) Uani 1 1 d . . .
H58A H 0.6638 0.2711 0.3483 0.115 Uiso 1 1 calc R . .
H58B H 0.6255 0.1572 0.3085 0.115 Uiso 1 1 calc R . .
H58C H 0.5590 0.2072 0.2375 0.115 Uiso 1 1 calc R . .
C56 C 0.8865(4) 0.3556(4) 0.2411(4) 0.0740(13) Uani 1 1 d . . .
H56A H 0.8740 0.4173 0.2578 0.111 Uiso 1 1 calc R . .
H56B H 0.9371 0.3576 0.2154 0.111 Uiso 1 1 calc R . .
H56C H 0.9185 0.3421 0.3023 0.111 Uiso 1 1 calc R . .
C57 C 0.7047(5) 0.2073(5) 0.2442(4) 0.0882(17) Uani 1 1 d . . .
H57A H 0.7816 0.2249 0.2995 0.106 Uiso 1 1 calc R . .
H57B H 0.6834 0.1411 0.1959 0.106 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 N5 2.285(2) . ?
Ag1 N8 2.317(2) . ?
Ag1 N10 2.337(2) . ?
Ag1 N3 2.341(2) . ?
N1 C1 1.436(3) . ?
N1 C16 1.463(3) . ?
N1 C7 1.478(4) . ?
N2 C8 1.374(3) . ?
N2 C10 1.381(4) . ?
N2 C9 1.461(4) . ?
N3 C8 1.324(4) . ?
N3 C15 1.397(4) . ?
N4 C17 1.363(4) . ?
N4 C19 1.382(4) . ?
N4 C18 1.463(4) . ?
N5 C17 1.320(4) . ?
N5 C24 1.393(4) . ?
N6 C25 1.431(4) . ?
N6 C31 1.472(4) . ?
N6 C40 1.479(3) . ?
N7 C32 1.365(4) . ?
N7 C34 1.375(4) . ?
N7 C33 1.472(4) . ?
N8 C32 1.329(4) . ?
N8 C39 1.392(4) . ?
N9 C41 1.369(4) . ?
N9 C43 1.384(4) . ?
N9 C42 1.461(4) . ?
N10 C41 1.332(4) . ?
N10 C48 1.392(4) . ?
C1 C6 1.384(4) . ?
C1 C2 1.400(4) . ?
C2 C3 1.382(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.392(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.505(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C15 1.400(4) . ?
C10 C11 1.402(4) . ?
C11 C12 1.381(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.400(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.383(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.390(4) . ?
C14 H14 0.9300 . ?
C16 C17 1.499(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.397(4) . ?
C19 C24 1.402(4) . ?
C20 C21 1.379(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.394(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.392(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.399(4) . ?
C23 H23 0.9300 . ?
C25 C30 1.395(4) . ?
C25 C26 1.399(5) . ?
C26 C27 1.383(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.383(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.376(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.487(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.395(5) . ?
C34 C39 1.397(4) . ?
C35 C36 1.386(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.396(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.381(5) . ?
C37 H37 0.9300 . ?
C38 C39 1.400(4) . ?
C38 H38 0.9300 . ?
C40 C41 1.504(4) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.395(4) . ?
C43 C48 1.401(4) . ?
C44 C45 1.378(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.408(5) . ?
C45 H45 0.9300 . ?
C46 C47 1.370(4) . ?
C46 H46 0.9300 . ?
C47 C48 1.392(4) . ?
C47 H47 0.9300 . ?
O1 C49 1.245(4) . ?
O2 N11 1.223(4) . ?
O3 N11 1.230(4) . ?
O4 N12 1.236(4) . ?
O5 N12 1.227(4) . ?
O6 N13 1.204(5) . ?
O7 N13 1.221(5) . ?
N11 C54 1.453(4) . ?
N12 C52 1.450(4) . ?
N13 C50 1.442(5) . ?
C49 C54 1.453(4) . ?
C49 C50 1.460(5) . ?
C54 C53 1.378(4) . ?
C53 C52 1.379(4) . ?
C53 H53 0.9300 . ?
C52 C51 1.370(5) . ?
C51 C50 1.381(5) . ?
C51 H51 0.9300 . ?
O20 C57 1.384(6) . ?
O20 C55 1.429(6) . ?
C55 C56 1.462(7) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C58 C57 1.464(7) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9700 . ?
C57 H57B 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
N5 Ag1 N8 117.60(8) . . ?
N5 Ag1 N10 120.66(8) . . ?
N8 Ag1 N10 97.45(8) . . ?
N5 Ag1 N3 103.71(8) . . ?
N8 Ag1 N3 111.84(8) . . ?
N10 Ag1 N3 105.20(8) . . ?
C1 N1 C16 115.6(2) . . ?
C1 N1 C7 114.6(2) . . ?
C16 N1 C7 113.4(2) . . ?
C8 N2 C10 106.8(2) . . ?
C8 N2 C9 129.0(2) . . ?
C10 N2 C9 124.2(2) . . ?
C8 N3 C15 106.1(2) . . ?
C8 N3 Ag1 132.95(19) . . ?
C15 N3 Ag1 120.99(18) . . ?
C17 N4 C19 106.8(2) . . ?
C17 N4 C18 127.4(2) . . ?
C19 N4 C18 125.7(2) . . ?
C17 N5 C24 105.4(2) . . ?
C17 N5 Ag1 125.06(18) . . ?
C24 N5 Ag1 127.43(19) . . ?
C25 N6 C31 115.9(2) . . ?
C25 N6 C40 115.3(2) . . ?
C31 N6 C40 113.2(2) . . ?
C32 N7 C34 107.3(2) . . ?
C32 N7 C33 126.6(3) . . ?
C34 N7 C33 126.1(3) . . ?
C32 N8 C39 105.4(2) . . ?
C32 N8 Ag1 126.9(2) . . ?
C39 N8 Ag1 127.61(19) . . ?
C41 N9 C43 107.2(2) . . ?
C41 N9 C42 127.3(3) . . ?
C43 N9 C42 125.3(3) . . ?
C41 N10 C48 105.3(2) . . ?
C41 N10 Ag1 130.76(19) . . ?
C48 N10 Ag1 118.15(18) . . ?
C6 C1 C2 119.0(3) . . ?
C6 C1 N1 123.3(3) . . ?
C2 C1 N1 117.7(3) . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.4(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C5 C4 C3 119.1(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 121.2(3) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 119.8(3) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
N1 C7 C8 114.3(2) . . ?
N1 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
N1 C7 H7B 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
N3 C8 N2 112.0(2) . . ?
N3 C8 C7 123.9(2) . . ?
N2 C8 C7 124.1(2) . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C15 106.4(2) . . ?
N2 C10 C11 131.8(3) . . ?
C15 C10 C11 121.8(3) . . ?
C12 C11 C10 116.7(3) . . ?
C12 C11 H11 121.7 . . ?
C10 C11 H11 121.7 . . ?
C11 C12 C13 121.6(3) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C14 C13 C12 121.6(3) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 117.5(3) . . ?
C13 C14 H14 121.3 . . ?
C15 C14 H14 121.3 . . ?
C14 C15 N3 130.5(3) . . ?
C14 C15 C10 120.8(3) . . ?
N3 C15 C10 108.7(2) . . ?
N1 C16 C17 110.5(2) . . ?
N1 C16 H16A 109.5 . . ?
C17 C16 H16A 109.5 . . ?
N1 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
N5 C17 N4 112.8(2) . . ?
N5 C17 C16 124.6(3) . . ?
N4 C17 C16 122.6(2) . . ?
N4 C18 H18A 109.5 . . ?
N4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 C20 132.1(3) . . ?
N4 C19 C24 105.8(2) . . ?
C20 C19 C24 122.1(3) . . ?
C21 C20 C19 116.6(3) . . ?
C21 C20 H20 121.7 . . ?
C19 C20 H20 121.7 . . ?
C20 C21 C22 122.1(3) . . ?
C20 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
C23 C22 C21 121.6(3) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C22 C23 C24 117.0(3) . . ?
C22 C23 H23 121.5 . . ?
C24 C23 H23 121.5 . . ?
N5 C24 C23 130.3(3) . . ?
N5 C24 C19 109.2(2) . . ?
C23 C24 C19 120.5(3) . . ?
C30 C25 C26 118.4(3) . . ?
C30 C25 N6 123.1(3) . . ?
C26 C25 N6 118.5(3) . . ?
C27 C26 C25 121.1(3) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 120.0(4) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 119.3(3) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C30 121.5(4) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C25 119.8(3) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
N6 C31 C32 110.4(2) . . ?
N6 C31 H31A 109.6 . . ?
C32 C31 H31A 109.6 . . ?
N6 C31 H31B 109.6 . . ?
C32 C31 H31B 109.6 . . ?
H31A C31 H31B 108.1 . . ?
N8 C32 N7 112.1(3) . . ?
N8 C32 C31 124.7(3) . . ?
N7 C32 C31 123.2(3) . . ?
N7 C33 H33A 109.5 . . ?
N7 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N7 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N7 C34 C35 132.5(3) . . ?
N7 C34 C39 105.9(3) . . ?
C35 C34 C39 121.6(3) . . ?
C36 C35 C34 116.7(3) . . ?
C36 C35 H35 121.7 . . ?
C34 C35 H35 121.7 . . ?
C35 C36 C37 121.9(3) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 H36 119.1 . . ?
C38 C37 C36 121.6(3) . . ?
C38 C37 H37 119.2 . . ?
C36 C37 H37 119.2 . . ?
C37 C38 C39 117.0(3) . . ?
C37 C38 H38 121.5 . . ?
C39 C38 H38 121.5 . . ?
N8 C39 C34 109.4(3) . . ?
N8 C39 C38 129.5(3) . . ?
C34 C39 C38 121.2(3) . . ?
N6 C40 C41 114.9(2) . . ?
N6 C40 H40A 108.5 . . ?
C41 C40 H40A 108.5 . . ?
N6 C40 H40B 108.5 . . ?
C41 C40 H40B 108.5 . . ?
H40A C40 H40B 107.5 . . ?
N10 C41 N9 112.2(2) . . ?
N10 C41 C40 124.7(3) . . ?
N9 C41 C40 123.1(2) . . ?
N9 C42 H42A 109.5 . . ?
N9 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
N9 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N9 C43 C44 132.2(3) . . ?
N9 C43 C48 105.6(2) . . ?
C44 C43 C48 122.3(3) . . ?
C45 C44 C43 116.5(3) . . ?
C45 C44 H44 121.8 . . ?
C43 C44 H44 121.8 . . ?
C44 C45 C46 121.8(3) . . ?
C44 C45 H45 119.1 . . ?
C46 C45 H45 119.1 . . ?
C47 C46 C45 121.1(3) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C46 C47 C48 118.4(3) . . ?
C46 C47 H47 120.8 . . ?
C48 C47 H47 120.8 . . ?
N10 C48 C47 130.3(3) . . ?
N10 C48 C43 109.7(2) . . ?
C47 C48 C43 120.0(3) . . ?
O2 N11 O3 122.9(3) . . ?
O2 N11 C54 118.5(3) . . ?
O3 N11 C54 118.6(3) . . ?
O5 N12 O4 123.4(3) . . ?
O5 N12 C52 117.8(3) . . ?
O4 N12 C52 118.8(3) . . ?
O6 N13 O7 122.6(4) . . ?
O6 N13 C50 117.1(4) . . ?
O7 N13 C50 120.2(4) . . ?
O1 C49 C54 124.9(3) . . ?
O1 C49 C50 124.7(3) . . ?
C54 C49 C50 110.2(3) . . ?
C53 C54 C49 124.9(3) . . ?
C53 C54 N11 115.7(3) . . ?
C49 C54 N11 119.3(3) . . ?
C54 C53 C52 119.4(3) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C51 C52 C53 121.1(3) . . ?
C51 C52 N12 120.2(3) . . ?
C53 C52 N12 118.7(3) . . ?
C52 C51 C50 119.2(3) . . ?
C52 C51 H51 120.4 . . ?
C50 C51 H51 120.4 . . ?
C51 C50 N13 117.1(3) . . ?
C51 C50 C49 125.0(3) . . ?
N13 C50 C49 117.8(3) . . ?
C57 O20 C55 115.1(4) . . ?
O20 C55 C56 113.9(4) . . ?
O20 C55 H55A 108.8 . . ?
C56 C55 H55A 108.8 . . ?
O20 C55 H55B 108.8 . . ?
C56 C55 H55B 108.8 . . ?
H55A C55 H55B 107.7 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O20 C57 C58 112.8(4) . . ?
O20 C57 H57A 109.0 . . ?
C58 C57 H57A 109.0 . . ?
O20 C57 H57B 109.0 . . ?
C58 C57 H57B 109.0 . . ?
H57A C57 H57B 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Ag1 N3 C8 18.9(3) . . . . ?
N8 Ag1 N3 C8 146.6(2) . . . . ?
N10 Ag1 N3 C8 -108.7(3) . . . . ?
N5 Ag1 N3 C15 -160.2(2) . . . . ?
N8 Ag1 N3 C15 -32.5(2) . . . . ?
N10 Ag1 N3 C15 72.2(2) . . . . ?
N8 Ag1 N5 C17 -105.7(2) . . . . ?
N10 Ag1 N5 C17 135.7(2) . . . . ?
N3 Ag1 N5 C17 18.4(2) . . . . ?
N8 Ag1 N5 C24 93.5(2) . . . . ?
N10 Ag1 N5 C24 -25.2(2) . . . . ?
N3 Ag1 N5 C24 -142.5(2) . . . . ?
N5 Ag1 N8 C32 -99.6(2) . . . . ?
N10 Ag1 N8 C32 30.9(2) . . . . ?
N3 Ag1 N8 C32 140.6(2) . . . . ?
N5 Ag1 N8 C39 84.4(2) . . . . ?
N10 Ag1 N8 C39 -145.2(2) . . . . ?
N3 Ag1 N8 C39 -35.5(3) . . . . ?
N5 Ag1 N10 C41 161.5(2) . . . . ?
N8 Ag1 N10 C41 33.1(2) . . . . ?
N3 Ag1 N10 C41 -82.0(2) . . . . ?
N5 Ag1 N10 C48 -49.6(2) . . . . ?
N8 Ag1 N10 C48 -177.95(18) . . . . ?
N3 Ag1 N10 C48 66.94(19) . . . . ?
C16 N1 C1 C6 -22.6(4) . . . . ?
C7 N1 C1 C6 112.2(3) . . . . ?
C16 N1 C1 C2 156.9(3) . . . . ?
C7 N1 C1 C2 -68.3(3) . . . . ?
C6 C1 C2 C3 -0.4(4) . . . . ?
N1 C1 C2 C3 -179.9(3) . . . . ?
C1 C2 C3 C4 0.6(5) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C2 C1 C6 C5 -0.2(5) . . . . ?
N1 C1 C6 C5 179.3(3) . . . . ?
C4 C5 C6 C1 0.7(5) . . . . ?
C1 N1 C7 C8 -69.9(3) . . . . ?
C16 N1 C7 C8 65.9(3) . . . . ?
C15 N3 C8 N2 0.8(3) . . . . ?
Ag1 N3 C8 N2 -178.32(18) . . . . ?
C15 N3 C8 C7 179.8(2) . . . . ?
Ag1 N3 C8 C7 0.6(4) . . . . ?
C10 N2 C8 N3 -1.0(3) . . . . ?
C9 N2 C8 N3 178.4(3) . . . . ?
C10 N2 C8 C7 -179.9(2) . . . . ?
C9 N2 C8 C7 -0.6(4) . . . . ?
N1 C7 C8 N3 -88.1(3) . . . . ?
N1 C7 C8 N2 90.8(3) . . . . ?
C8 N2 C10 C15 0.7(3) . . . . ?
C9 N2 C10 C15 -178.7(3) . . . . ?
C8 N2 C10 C11 -178.5(3) . . . . ?
C9 N2 C10 C11 2.1(5) . . . . ?
N2 C10 C11 C12 177.8(3) . . . . ?
C15 C10 C11 C12 -1.3(4) . . . . ?
C10 C11 C12 C13 0.4(4) . . . . ?
C11 C12 C13 C14 1.2(5) . . . . ?
C12 C13 C14 C15 -1.7(5) . . . . ?
C13 C14 C15 N3 -177.2(3) . . . . ?
C13 C14 C15 C10 0.8(4) . . . . ?
C8 N3 C15 C14 177.8(3) . . . . ?
Ag1 N3 C15 C14 -2.9(4) . . . . ?
C8 N3 C15 C10 -0.3(3) . . . . ?
Ag1 N3 C15 C10 178.93(18) . . . . ?
N2 C10 C15 C14 -178.6(3) . . . . ?
C11 C10 C15 C14 0.8(4) . . . . ?
N2 C10 C15 N3 -0.2(3) . . . . ?
C11 C10 C15 N3 179.1(3) . . . . ?
C1 N1 C16 C17 -156.9(2) . . . . ?
C7 N1 C16 C17 67.8(3) . . . . ?
C24 N5 C17 N4 0.2(3) . . . . ?
Ag1 N5 C17 N4 -164.15(17) . . . . ?
C24 N5 C17 C16 -178.5(2) . . . . ?
Ag1 N5 C17 C16 17.2(4) . . . . ?
C19 N4 C17 N5 0.0(3) . . . . ?
C18 N4 C17 N5 180.0(3) . . . . ?
C19 N4 C17 C16 178.7(2) . . . . ?
C18 N4 C17 C16 -1.3(4) . . . . ?
N1 C16 C17 N5 -111.6(3) . . . . ?
N1 C16 C17 N4 69.8(3) . . . . ?
C17 N4 C19 C20 179.8(3) . . . . ?
C18 N4 C19 C20 -0.2(5) . . . . ?
C17 N4 C19 C24 -0.1(3) . . . . ?
C18 N4 C19 C24 179.8(3) . . . . ?
N4 C19 C20 C21 178.6(3) . . . . ?
C24 C19 C20 C21 -1.5(4) . . . . ?
C19 C20 C21 C22 0.7(5) . . . . ?
C20 C21 C22 C23 0.5(5) . . . . ?
C21 C22 C23 C24 -0.8(5) . . . . ?
C17 N5 C24 C23 178.8(3) . . . . ?
Ag1 N5 C24 C23 -17.4(4) . . . . ?
C17 N5 C24 C19 -0.3(3) . . . . ?
Ag1 N5 C24 C19 163.57(18) . . . . ?
C22 C23 C24 N5 -178.9(3) . . . . ?
C22 C23 C24 C19 0.1(4) . . . . ?
N4 C19 C24 N5 0.2(3) . . . . ?
C20 C19 C24 N5 -179.7(3) . . . . ?
N4 C19 C24 C23 -178.9(3) . . . . ?
C20 C19 C24 C23 1.1(4) . . . . ?
C31 N6 C25 C30 -13.6(4) . . . . ?
C40 N6 C25 C30 122.1(3) . . . . ?
C31 N6 C25 C26 164.8(3) . . . . ?
C40 N6 C25 C26 -59.5(4) . . . . ?
C30 C25 C26 C27 -1.1(5) . . . . ?
N6 C25 C26 C27 -179.5(3) . . . . ?
C25 C26 C27 C28 0.3(5) . . . . ?
C26 C27 C28 C29 0.7(6) . . . . ?
C27 C28 C29 C30 -0.9(6) . . . . ?
C28 C29 C30 C25 0.2(6) . . . . ?
C26 C25 C30 C29 0.8(5) . . . . ?
N6 C25 C30 C29 179.2(3) . . . . ?
C25 N6 C31 C32 -162.4(2) . . . . ?
C40 N6 C31 C32 61.0(3) . . . . ?
C39 N8 C32 N7 -0.4(3) . . . . ?
Ag1 N8 C32 N7 -177.14(18) . . . . ?
C39 N8 C32 C31 177.5(3) . . . . ?
Ag1 N8 C32 C31 0.7(4) . . . . ?
C34 N7 C32 N8 0.2(3) . . . . ?
C33 N7 C32 N8 -178.5(3) . . . . ?
C34 N7 C32 C31 -177.6(3) . . . . ?
C33 N7 C32 C31 3.7(5) . . . . ?
N6 C31 C32 N8 -101.7(3) . . . . ?
N6 C31 C32 N7 75.9(3) . . . . ?
C32 N7 C34 C35 -178.8(3) . . . . ?
C33 N7 C34 C35 -0.1(5) . . . . ?
C32 N7 C34 C39 0.0(3) . . . . ?
C33 N7 C34 C39 178.7(3) . . . . ?
N7 C34 C35 C36 -179.7(3) . . . . ?
C39 C34 C35 C36 1.7(5) . . . . ?
C34 C35 C36 C37 -0.5(5) . . . . ?
C35 C36 C37 C38 0.1(5) . . . . ?
C36 C37 C38 C39 -0.8(5) . . . . ?
C32 N8 C39 C34 0.4(3) . . . . ?
Ag1 N8 C39 C34 177.12(19) . . . . ?
C32 N8 C39 C38 -178.4(3) . . . . ?
Ag1 N8 C39 C38 -1.6(4) . . . . ?
N7 C34 C39 N8 -0.2(3) . . . . ?
C35 C34 C39 N8 178.7(3) . . . . ?
N7 C34 C39 C38 178.6(3) . . . . ?
C35 C34 C39 C38 -2.4(5) . . . . ?
C37 C38 C39 N8 -179.5(3) . . . . ?
C37 C38 C39 C34 1.9(4) . . . . ?
C25 N6 C40 C41 -66.7(3) . . . . ?
C31 N6 C40 C41 70.2(3) . . . . ?
C48 N10 C41 N9 -0.7(3) . . . . ?
Ag1 N10 C41 N9 151.08(19) . . . . ?
C48 N10 C41 C40 179.3(2) . . . . ?
Ag1 N10 C41 C40 -28.9(4) . . . . ?
C43 N9 C41 N10 0.1(3) . . . . ?
C42 N9 C41 N10 -175.4(3) . . . . ?
C43 N9 C41 C40 -179.9(2) . . . . ?
C42 N9 C41 C40 4.6(4) . . . . ?
N6 C40 C41 N10 -72.1(3) . . . . ?
N6 C40 C41 N9 108.0(3) . . . . ?
C41 N9 C43 C44 -179.6(3) . . . . ?
C42 N9 C43 C44 -4.0(5) . . . . ?
C41 N9 C43 C48 0.5(3) . . . . ?
C42 N9 C43 C48 176.2(3) . . . . ?
N9 C43 C44 C45 -179.4(3) . . . . ?
C48 C43 C44 C45 0.4(4) . . . . ?
C43 C44 C45 C46 0.2(5) . . . . ?
C44 C45 C46 C47 -0.5(5) . . . . ?
C45 C46 C47 C48 0.3(4) . . . . ?
C41 N10 C48 C47 -179.2(3) . . . . ?
Ag1 N10 C48 C47 24.8(4) . . . . ?
C41 N10 C48 C43 1.1(3) . . . . ?
Ag1 N10 C48 C43 -154.99(17) . . . . ?
C46 C47 C48 N10 -179.4(3) . . . . ?
C46 C47 C48 C43 0.3(4) . . . . ?
N9 C43 C48 N10 -1.0(3) . . . . ?
C44 C43 C48 N10 179.1(3) . . . . ?
N9 C43 C48 C47 179.2(2) . . . . ?
C44 C43 C48 C47 -0.6(4) . . . . ?
O1 C49 C54 C53 -177.3(3) . . . . ?
C50 C49 C54 C53 -1.9(4) . . . . ?
O1 C49 C54 N11 1.5(5) . . . . ?
C50 C49 C54 N11 176.9(3) . . . . ?
O2 N11 C54 C53 -143.6(3) . . . . ?
O3 N11 C54 C53 38.1(4) . . . . ?
O2 N11 C54 C49 37.5(4) . . . . ?
O3 N11 C54 C49 -140.8(3) . . . . ?
C49 C54 C53 C52 -0.1(5) . . . . ?
N11 C54 C53 C52 -178.9(3) . . . . ?
C54 C53 C52 C51 2.4(5) . . . . ?
C54 C53 C52 N12 -177.6(3) . . . . ?
O5 N12 C52 C51 3.2(5) . . . . ?
O4 N12 C52 C51 -178.3(3) . . . . ?
O5 N12 C52 C53 -176.9(3) . . . . ?
O4 N12 C52 C53 1.6(4) . . . . ?
C53 C52 C51 C50 -2.3(5) . . . . ?
N12 C52 C51 C50 177.7(3) . . . . ?
C52 C51 C50 N13 178.1(3) . . . . ?
C52 C51 C50 C49 -0.1(5) . . . . ?
O6 N13 C50 C51 -40.8(6) . . . . ?
O7 N13 C50 C51 137.9(4) . . . . ?
O6 N13 C50 C49 137.5(5) . . . . ?
O7 N13 C50 C49 -43.9(6) . . . . ?
O1 C49 C50 C51 177.4(3) . . . . ?
C54 C49 C50 C51 2.0(5) . . . . ?
O1 C49 C50 N13 -0.7(5) . . . . ?
C54 C49 C50 N13 -176.1(3) . . . . ?
C57 O20 C55 C56 -87.5(5) . . . . ?
C55 O20 C57 C58 171.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.071
_database_code_depnum_ccdc_archive 'CCDC 1002282'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H29 Ag N8 O7'
_chemical_formula_weight         745.50

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'
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           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   6.951(4)
_cell_length_b                   17.701(9)
_cell_length_c                   24.901(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3064(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7028
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      26.07

_exptl_crystal_description       block
_exptl_crystal_colour            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    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_absorpt_coefficient_mu    0.722
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_T_max  0.805
_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            14493
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5694
_reflns_number_gt                5084
_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
In the refinement, several constrains were applied:
ISOR C3 C4 C5 atoms is used to restrict ellipsoid rate;
Restraints on the anisotropic temperature factors (DELU and SIMU instructions in SHELXL97)
were used to obtain more meaningful anisotropic displacement ellipsoids, 
SIMU for Ag O1 and DELU for Ag O1 atoms.
All H atoms attached to C atoms were fixed geometrically and 
treated as riding with C-H = 0.93 or 0.97 Å with Uiso(H) = 1.2Ueq(C). 
;

_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)+(0.0361P)²+0.9046P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_number_reflns         5694
_refine_ls_number_parameters     435
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0756
_refine_ls_wR_factor_gt          0.0721
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.099
_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
Ag Ag 0.36868(5) 0.439335(18) 0.238522(11) 0.05563(12) Uani 1 1 d U . .
N3 N 0.1193(4) 0.57099(14) 0.36789(9) 0.0312(6) Uani 1 1 d . . .
N1 N 0.1541(4) 0.57274(15) 0.21783(10) 0.0336(6) Uani 1 1 d . . .
C2 C 0.4461(6) 0.6423(2) 0.2340(2) 0.0577(11) Uani 1 1 d . . .
H2 H 0.4294 0.6357 0.2707 0.069 Uiso 1 1 calc R . .
O1 O 0.6854(4) 0.47712(13) 0.27430(9) 0.0462(6) Uani 1 1 d U . .
C26 C 0.2403(5) 0.45506(19) 0.36658(13) 0.0333(8) Uani 1 1 d . . .
C18 C 0.1434(5) 0.54701(16) 0.31659(11) 0.0288(7) Uani 1 1 d . . .
N5 N 0.0047(4) 0.46240(15) 0.09778(11) 0.0344(7) Uani 1 1 d . . .
C19 C 0.0578(5) 0.64631(18) 0.38572(14) 0.0384(9) Uani 1 1 d . . .
H19A H 0.0057 0.6427 0.4218 0.046 Uiso 1 1 calc R . .
H19B H -0.0437 0.6644 0.3623 0.046 Uiso 1 1 calc R . .
C32 C 0.7927(5) 0.35766(19) 0.30690(14) 0.0367(8) Uani 1 1 d . . .
O2 O 0.6265(5) 0.58006(15) 0.35069(12) 0.0674(8) Uani 1 1 d . . .
C17 C 0.2164(5) 0.37507(19) 0.12191(13) 0.0336(8) Uani 1 1 d . . .
C12 C 0.0898(5) 0.39574(18) 0.08143(13) 0.0315(8) Uani 1 1 d . . .
N2 N 0.2159(4) 0.47838(15) 0.31349(11) 0.0322(6) Uani 1 1 d . . .
O3 O 0.6833(5) 0.55142(17) 0.43249(11) 0.0675(9) Uani 1 1 d . . .
C28 C 0.7327(5) 0.45821(19) 0.36919(14) 0.0340(8) Uani 1 1 d . . .
C30 C 0.8342(5) 0.3368(2) 0.39960(14) 0.0413(9) Uani 1 1 d . . .
O4 O 0.8614(6) 0.3085(2) 0.48943(13) 0.0869(11) Uani 1 1 d . . .
C27 C 0.7294(4) 0.4361(2) 0.31307(12) 0.0330(7) Uani 1 1 d . . .
C8 C 0.0804(5) 0.4790(2) 0.14734(13) 0.0368(8) Uani 1 1 d . . .
N4 N 0.2088(4) 0.42915(17) 0.16277(10) 0.0388(7) Uani 1 1 d . . .
C9 C -0.1537(6) 0.5009(2) 0.06978(14) 0.0476(10) Uani 1 1 d . . .
H9A H -0.1350 0.4966 0.0313 0.057 Uiso 1 1 calc R . .
H9B H -0.1526 0.5542 0.0790 0.057 Uiso 1 1 calc R . .
C14 C 0.1729(6) 0.2863(2) 0.03234(14) 0.0438(9) Uani 1 1 d . . .
H14 H 0.1602 0.2553 0.0024 0.053 Uiso 1 1 calc R . .
C1 C 0.3117(5) 0.61253(18) 0.19815(14) 0.0384(9) Uani 1 1 d . . .
C33 C 0.0763(5) 0.59447(17) 0.27029(12) 0.0322(8) Uani 1 1 d . . .
H33A H -0.0630 0.5919 0.2686 0.039 Uiso 1 1 calc R . .
H33B H 0.1111 0.6466 0.2773 0.039 Uiso 1 1 calc R . .
C25 C 0.3057(5) 0.3861(2) 0.38719(17) 0.0451(10) Uani 1 1 d . . .
H25 H 0.3437 0.3470 0.3646 0.054 Uiso 1 1 calc R . .
C15 C 0.2997(6) 0.2651(2) 0.07311(14) 0.0436(9) Uani 1 1 d . . .
H15 H 0.3691 0.2205 0.0696 0.052 Uiso 1 1 calc R . .
C21 C 0.1807(5) 0.51277(19) 0.40126(13) 0.0332(8) Uani 1 1 d . . .
O6 O 0.9371(5) 0.28541(17) 0.24156(13) 0.0789(10) Uani 1 1 d . . .
C6 C 0.3464(8) 0.6217(2) 0.14315(16) 0.0617(13) Uani 1 1 d . . .
H6 H 0.2605 0.6013 0.1185 0.074 Uiso 1 1 calc R . .
N8 N 0.8857(6) 0.2859(2) 0.44345(15) 0.0591(10) Uani 1 1 d . . .
N6 N 0.8031(5) 0.32758(18) 0.25261(13) 0.0542(9) Uani 1 1 d . . .
C13 C 0.0653(6) 0.3520(2) 0.03519(13) 0.0401(9) Uani 1 1 d . . .
H13 H -0.0185 0.3662 0.0079 0.048 Uiso 1 1 calc R . .
C29 C 0.7805(5) 0.4101(2) 0.41054(14) 0.0414(9) Uani 1 1 d . . .
H29 H 0.7765 0.4271 0.4459 0.050 Uiso 1 1 calc R . .
C7 C 0.0098(6) 0.5450(2) 0.17994(14) 0.0459(9) Uani 1 1 d . . .
H7A H -0.0261 0.5857 0.1558 0.055 Uiso 1 1 calc R . .
H7B H -0.1043 0.5300 0.1996 0.055 Uiso 1 1 calc R . .
C31 C 0.8436(6) 0.3110(2) 0.34744(15) 0.0447(9) Uani 1 1 d . . .
H31 H 0.8846 0.2620 0.3402 0.054 Uiso 1 1 calc R . .
N7 N 0.6754(4) 0.53503(17) 0.38482(13) 0.0427(8) Uani 1 1 d . . .
C16 C 0.3248(6) 0.30875(19) 0.11850(14) 0.0421(9) Uani 1 1 d . . .
H16 H 0.4098 0.2947 0.1456 0.050 Uiso 1 1 calc R . .
O7 O 0.6756(6) 0.3430(2) 0.22020(13) 0.0928(13) Uani 1 1 d . . .
C23 C 0.2515(6) 0.4366(3) 0.47624(16) 0.0585(11) Uani 1 1 d . . .
H23 H 0.2551 0.4289 0.5132 0.070 Uiso 1 1 calc R . .
C20 C 0.2222(7) 0.7024(2) 0.38542(16) 0.0525(11) Uani 1 1 d . . .
H20A H 0.3282 0.6824 0.4056 0.079 Uiso 1 1 calc R . .
H20B H 0.1805 0.7490 0.4013 0.079 Uiso 1 1 calc R . .
H20C H 0.2623 0.7115 0.3491 0.079 Uiso 1 1 calc R . .
C5 C 0.5057(9) 0.6604(3) 0.1249(2) 0.0799(16) Uani 1 1 d U . .
H5 H 0.5254 0.6664 0.0882 0.096 Uiso 1 1 calc R . .
C4 C 0.6325(10) 0.6897(3) 0.1599(3) 0.0863(16) Uani 1 1 d U . .
H4 H 0.7398 0.7154 0.1472 0.104 Uiso 1 1 calc R . .
O5 O 0.9493(6) 0.2228(2) 0.43229(15) 0.0860(12) Uani 1 1 d . . .
C3 C 0.6057(8) 0.6820(3) 0.2148(2) 0.0780(14) Uani 1 1 d U . .
H3 H 0.6933 0.7031 0.2387 0.094 Uiso 1 1 calc R . .
C24 C 0.3114(6) 0.3786(3) 0.44196(19) 0.0606(13) Uani 1 1 d . . .
H24 H 0.3564 0.3336 0.4567 0.073 Uiso 1 1 calc R . .
C22 C 0.1874(6) 0.5047(2) 0.45676(14) 0.0480(10) Uani 1 1 d . . .
H22 H 0.1502 0.5436 0.4796 0.058 Uiso 1 1 calc R . .
C34 C -0.3438(7) 0.4677(3) 0.0846(2) 0.0818(16) Uani 1 1 d . . .
H34A H -0.3454 0.4151 0.0753 0.123 Uiso 1 1 calc R . .
H34B H -0.4441 0.4935 0.0654 0.123 Uiso 1 1 calc R . .
H34C H -0.3643 0.4733 0.1225 0.123 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
Ag N4 2.197(3) . ?
Ag N2 2.256(3) . ?
Ag O1 2.468(3) . ?
Ag O7 2.769(4) . ?
Ag N1 2.840(3) . ?
N3 C18 1.356(4) . ?
N3 C21 1.391(4) . ?
N3 C19 1.469(4) . ?
N1 C1 1.392(4) . ?
N1 C7 1.462(4) . ?
N1 C33 1.465(4) . ?
C2 C1 1.395(5) . ?
C2 C3 1.398(7) . ?
O1 C27 1.246(4) . ?
C26 N2 1.395(4) . ?
C26 C25 1.400(5) . ?
C26 C21 1.400(5) . ?
C18 N2 1.318(4) . ?
C18 C33 1.501(4) . ?
N5 C8 1.373(4) . ?
N5 C12 1.381(4) . ?
N5 C9 1.471(5) . ?
C19 C20 1.515(5) . ?
C32 C31 1.352(5) . ?
C32 N6 1.455(5) . ?
C32 C27 1.464(5) . ?
O2 N7 1.214(4) . ?
C17 C12 1.387(5) . ?
C17 N4 1.398(4) . ?
C17 C16 1.398(5) . ?
C12 C13 1.398(5) . ?
O3 O3 0.000(10) 1 ?
O3 N7 1.223(4) . ?
C28 C29 1.377(5) . ?
C28 C27 1.452(5) . ?
C28 N7 1.469(4) . ?
C30 C29 1.377(5) . ?
C30 C31 1.379(5) . ?
C30 N8 1.460(5) . ?
O4 N8 1.224(5) . ?
C8 N4 1.313(4) . ?
C8 C7 1.505(5) . ?
C9 C34 1.492(7) . ?
C14 C13 1.384(5) . ?
C14 C15 1.396(5) . ?
C1 C6 1.400(5) . ?
C25 C24 1.371(6) . ?
C15 C16 1.380(5) . ?
C21 C22 1.390(5) . ?
O6 N6 1.225(4) . ?
C6 C5 1.380(7) . ?
N8 O5 1.232(5) . ?
N6 O7 1.229(4) . ?
N7 O3 1.223(4) 1 ?
C23 C22 1.373(6) . ?
C23 C24 1.399(6) . ?
C5 C4 1.344(8) . ?
C4 C3 1.385(7) . ?

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 Ag N2 119.85(11) . . ?
N4 Ag O1 141.60(10) . . ?
N2 Ag O1 92.18(10) . . ?
N4 Ag O7 101.40(10) . . ?
N2 Ag O7 133.43(10) . . ?
O1 Ag O7 62.55(10) . . ?
N4 Ag N1 69.32(9) . . ?
N2 Ag N1 69.41(9) . . ?
O1 Ag N1 107.99(8) . . ?
O7 Ag N1 152.48(11) . . ?
C18 N3 C21 107.0(3) . . ?
C18 N3 C19 127.2(3) . . ?
C21 N3 C19 125.5(3) . . ?
C1 N1 C7 118.9(3) . . ?
C1 N1 C33 118.1(3) . . ?
C7 N1 C33 114.2(3) . . ?
C1 N1 Ag 94.07(19) . . ?
C7 N1 Ag 101.42(19) . . ?
C33 N1 Ag 104.49(17) . . ?
C1 C2 C3 120.1(5) . . ?
C27 O1 Ag 109.9(2) . . ?
N2 C26 C25 130.1(3) . . ?
N2 C26 C21 109.4(3) . . ?
C25 C26 C21 120.4(3) . . ?
N2 C18 N3 113.0(3) . . ?
N2 C18 C33 126.2(3) . . ?
N3 C18 C33 120.7(3) . . ?
C8 N5 C12 106.5(3) . . ?
C8 N5 C9 127.8(3) . . ?
C12 N5 C9 125.2(3) . . ?
N3 C19 C20 112.0(3) . . ?
C31 C32 N6 117.2(3) . . ?
C31 C32 C27 125.4(3) . . ?
N6 C32 C27 117.4(3) . . ?
C12 C17 N4 108.9(3) . . ?
C12 C17 C16 121.3(3) . . ?
N4 C17 C16 129.8(3) . . ?
N5 C12 C17 106.4(3) . . ?
N5 C12 C13 131.6(3) . . ?
C17 C12 C13 122.0(3) . . ?
C18 N2 C26 105.3(3) . . ?
C18 N2 Ag 120.7(2) . . ?
C26 N2 Ag 129.5(2) . . ?
O3 O3 N7 0(10) 1 . ?
C29 C28 C27 123.8(3) . . ?
C29 C28 N7 116.1(3) . . ?
C27 C28 N7 120.1(3) . . ?
C29 C30 C31 120.8(3) . . ?
C29 C30 N8 120.0(3) . . ?
C31 C30 N8 119.2(4) . . ?
O1 C27 C28 126.3(3) . . ?
O1 C27 C32 123.0(3) . . ?
C28 C27 C32 110.6(3) . . ?
N4 C8 N5 112.3(3) . . ?
N4 C8 C7 125.8(3) . . ?
N5 C8 C7 121.7(3) . . ?
C8 N4 C17 105.8(3) . . ?
C8 N4 Ag 122.7(2) . . ?
C17 N4 Ag 131.5(2) . . ?
N5 C9 C34 111.3(3) . . ?
C13 C14 C15 122.0(3) . . ?
N1 C1 C2 119.5(3) . . ?
N1 C1 C6 122.6(4) . . ?
C2 C1 C6 117.8(4) . . ?
N1 C33 C18 115.0(3) . . ?
C24 C25 C26 117.3(4) . . ?
C16 C15 C14 121.7(3) . . ?
C22 C21 N3 132.9(3) . . ?
C22 C21 C26 121.9(3) . . ?
N3 C21 C26 105.2(3) . . ?
C5 C6 C1 121.2(5) . . ?
O4 N8 O5 123.8(4) . . ?
O4 N8 C30 117.7(4) . . ?
O5 N8 C30 118.6(4) . . ?
O6 N6 O7 122.4(3) . . ?
O6 N6 C32 118.0(3) . . ?
O7 N6 C32 119.6(3) . . ?
C14 C13 C12 116.2(3) . . ?
C28 C29 C30 120.0(3) . . ?
N1 C7 C8 112.7(3) . . ?
C32 C31 C30 119.2(3) . . ?
O2 N7 O3 122.5(3) . 1 ?
O2 N7 O3 122.5(3) . . ?
O3 N7 O3 0.00(6) 1 . ?
O2 N7 C28 119.9(3) . . ?
O3 N7 C28 117.7(3) 1 . ?
O3 N7 C28 117.7(3) . . ?
C15 C16 C17 116.8(3) . . ?
N6 O7 Ag 125.7(2) . . ?
C22 C23 C24 121.7(4) . . ?
C4 C5 C6 120.3(5) . . ?
C5 C4 C3 120.9(6) . . ?
C4 C3 C2 119.6(6) . . ?
C25 C24 C23 121.8(4) . . ?
C23 C22 C21 116.9(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
N4 Ag N1 C1 -100.0(2) . . . . ?
N2 Ag N1 C1 124.7(2) . . . . ?
O1 Ag N1 C1 39.3(2) . . . . ?
O7 Ag N1 C1 -25.5(3) . . . . ?
N4 Ag N1 C7 20.5(2) . . . . ?
N2 Ag N1 C7 -114.7(2) . . . . ?
O1 Ag N1 C7 159.8(2) . . . . ?
O7 Ag N1 C7 95.0(3) . . . . ?
N4 Ag N1 C33 139.5(2) . . . . ?
N2 Ag N1 C33 4.27(19) . . . . ?
O1 Ag N1 C33 -81.2(2) . . . . ?
O7 Ag N1 C33 -146.0(2) . . . . ?
N4 Ag O1 C27 -144.3(2) . . . . ?
N2 Ag O1 C27 67.5(2) . . . . ?
O7 Ag O1 C27 -71.6(2) . . . . ?
N1 Ag O1 C27 136.5(2) . . . . ?
C21 N3 C18 N2 -0.3(4) . . . . ?
C19 N3 C18 N2 174.4(3) . . . . ?
C21 N3 C18 C33 175.2(3) . . . . ?
C19 N3 C18 C33 -10.1(5) . . . . ?
C18 N3 C19 C20 -80.7(4) . . . . ?
C21 N3 C19 C20 93.0(4) . . . . ?
C8 N5 C12 C17 -0.7(4) . . . . ?
C9 N5 C12 C17 -173.5(3) . . . . ?
C8 N5 C12 C13 178.7(4) . . . . ?
C9 N5 C12 C13 5.9(6) . . . . ?
N4 C17 C12 N5 -0.2(4) . . . . ?
C16 C17 C12 N5 178.9(3) . . . . ?
N4 C17 C12 C13 -179.6(3) . . . . ?
C16 C17 C12 C13 -0.5(5) . . . . ?
N3 C18 N2 C26 0.5(4) . . . . ?
C33 C18 N2 C26 -174.8(3) . . . . ?
N3 C18 N2 Ag -158.0(2) . . . . ?
C33 C18 N2 Ag 26.8(4) . . . . ?
C25 C26 N2 C18 177.5(4) . . . . ?
C21 C26 N2 C18 -0.5(4) . . . . ?
C25 C26 N2 Ag -26.7(5) . . . . ?
C21 C26 N2 Ag 155.4(2) . . . . ?
N4 Ag N2 C18 -64.4(3) . . . . ?
O1 Ag N2 C18 93.4(3) . . . . ?
O7 Ag N2 C18 146.6(2) . . . . ?
N1 Ag N2 C18 -15.0(2) . . . . ?
N4 Ag N2 C26 142.9(3) . . . . ?
O1 Ag N2 C26 -59.2(3) . . . . ?
O7 Ag N2 C26 -6.0(3) . . . . ?
N1 Ag N2 C26 -167.6(3) . . . . ?
Ag O1 C27 C28 -107.9(3) . . . . ?
Ag O1 C27 C32 74.4(3) . . . . ?
C29 C28 C27 O1 179.3(3) . . . . ?
N7 C28 C27 O1 1.8(5) . . . . ?
C29 C28 C27 C32 -2.8(5) . . . . ?
N7 C28 C27 C32 179.7(3) . . . . ?
C31 C32 C27 O1 179.3(4) . . . . ?
N6 C32 C27 O1 -0.2(5) . . . . ?
C31 C32 C27 C28 1.3(5) . . . . ?
N6 C32 C27 C28 -178.2(3) . . . . ?
C12 N5 C8 N4 1.4(4) . . . . ?
C9 N5 C8 N4 174.0(3) . . . . ?
C12 N5 C8 C7 -175.1(3) . . . . ?
C9 N5 C8 C7 -2.6(6) . . . . ?
N5 C8 N4 C17 -1.5(4) . . . . ?
C7 C8 N4 C17 174.9(4) . . . . ?
N5 C8 N4 Ag 177.6(2) . . . . ?
C7 C8 N4 Ag -6.0(5) . . . . ?
C12 C17 N4 C8 1.0(4) . . . . ?
C16 C17 N4 C8 -178.0(4) . . . . ?
C12 C17 N4 Ag -178.0(2) . . . . ?
C16 C17 N4 Ag 3.0(6) . . . . ?
N2 Ag N4 C8 40.8(3) . . . . ?
O1 Ag N4 C8 -101.8(3) . . . . ?
O7 Ag N4 C8 -161.6(3) . . . . ?
N1 Ag N4 C8 -8.7(3) . . . . ?
N2 Ag N4 C17 -140.3(3) . . . . ?
O1 Ag N4 C17 77.1(4) . . . . ?
O7 Ag N4 C17 17.3(3) . . . . ?
N1 Ag N4 C17 170.2(3) . . . . ?
C8 N5 C9 C34 -88.3(5) . . . . ?
C12 N5 C9 C34 82.9(4) . . . . ?
C7 N1 C1 C2 177.1(3) . . . . ?
C33 N1 C1 C2 31.4(4) . . . . ?
Ag N1 C1 C2 -77.4(3) . . . . ?
C7 N1 C1 C6 -5.5(5) . . . . ?
C33 N1 C1 C6 -151.2(3) . . . . ?
Ag N1 C1 C6 99.9(3) . . . . ?
C3 C2 C1 N1 179.6(4) . . . . ?
C3 C2 C1 C6 2.1(5) . . . . ?
C1 N1 C33 C18 -97.9(3) . . . . ?
C7 N1 C33 C18 114.8(3) . . . . ?
Ag N1 C33 C18 4.9(3) . . . . ?
N2 C18 C33 N1 -20.5(5) . . . . ?
N3 C18 C33 N1 164.6(3) . . . . ?
N2 C26 C25 C24 -178.8(4) . . . . ?
C21 C26 C25 C24 -1.1(5) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C18 N3 C21 C22 -179.0(4) . . . . ?
C19 N3 C21 C22 6.2(6) . . . . ?
C18 N3 C21 C26 0.0(4) . . . . ?
C19 N3 C21 C26 -174.8(3) . . . . ?
N2 C26 C21 C22 179.4(3) . . . . ?
C25 C26 C21 C22 1.2(5) . . . . ?
N2 C26 C21 N3 0.3(4) . . . . ?
C25 C26 C21 N3 -177.9(3) . . . . ?
N1 C1 C6 C5 -179.0(4) . . . . ?
C2 C1 C6 C5 -1.5(6) . . . . ?
C29 C30 N8 O4 6.9(6) . . . . ?
C31 C30 N8 O4 -174.4(4) . . . . ?
C29 C30 N8 O5 -173.7(4) . . . . ?
C31 C30 N8 O5 5.1(6) . . . . ?
C31 C32 N6 O6 -38.0(5) . . . . ?
C27 C32 N6 O6 141.5(4) . . . . ?
C31 C32 N6 O7 139.6(4) . . . . ?
C27 C32 N6 O7 -40.9(5) . . . . ?
C15 C14 C13 C12 -0.4(5) . . . . ?
N5 C12 C13 C14 -178.5(3) . . . . ?
C17 C12 C13 C14 0.8(5) . . . . ?
C27 C28 C29 C30 1.8(5) . . . . ?
N7 C28 C29 C30 179.4(3) . . . . ?
C31 C30 C29 C28 1.0(5) . . . . ?
N8 C30 C29 C28 179.7(3) . . . . ?
C1 N1 C7 C8 72.7(4) . . . . ?
C33 N1 C7 C8 -140.2(3) . . . . ?
Ag N1 C7 C8 -28.5(3) . . . . ?
N4 C8 C7 N1 28.8(5) . . . . ?
N5 C8 C7 N1 -155.1(3) . . . . ?
N6 C32 C31 C30 -179.3(4) . . . . ?
C27 C32 C31 C30 1.1(6) . . . . ?
C29 C30 C31 C32 -2.4(6) . . . . ?
N8 C30 C31 C32 178.8(4) . . . . ?
O3 O3 N7 O2 0.0(8) 1 . . . ?
O3 O3 N7 C28 0.0(6) 1 . . . ?
C29 C28 N7 O2 -178.1(3) . . . . ?
C27 C28 N7 O2 -0.5(5) . . . . ?
C29 C28 N7 O3 3.5(5) . . . 1 ?
C27 C28 N7 O3 -178.9(3) . . . 1 ?
C29 C28 N7 O3 3.5(5) . . . . ?
C27 C28 N7 O3 -178.9(3) . . . . ?
C14 C15 C16 C17 0.3(6) . . . . ?
C12 C17 C16 C15 0.0(5) . . . . ?
N4 C17 C16 C15 178.9(4) . . . . ?
O6 N6 O7 Ag -178.6(3) . . . . ?
C32 N6 O7 Ag 3.8(6) . . . . ?
N4 Ag O7 N6 -177.2(4) . . . . ?
N2 Ag O7 N6 -24.3(5) . . . . ?
O1 Ag O7 N6 40.1(4) . . . . ?
N1 Ag O7 N6 116.0(4) . . . . ?
C1 C6 C5 C4 0.7(7) . . . . ?
C6 C5 C4 C3 -0.4(8) . . . . ?
C5 C4 C3 C2 1.0(7) . . . . ?
C1 C2 C3 C4 -1.9(6) . . . . ?
C26 C25 C24 C23 1.1(6) . . . . ?
C22 C23 C24 C25 -1.3(7) . . . . ?
C24 C23 C22 C21 1.4(6) . . . . ?
N3 C21 C22 C23 177.5(4) . . . . ?
C26 C21 C22 C23 -1.4(5) . . . . ?

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
C29 H29 O3 0.93 2.32 2.648(5) 100.3 1
C7 H7B O1 0.97 2.54 3.471(5) 160.2 1_455
C33 H33B O6 0.97 2.52 3.394(5) 149.3 3_655

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.496
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.071
_database_code_depnum_ccdc_archive 'CCDC 1002283'
