# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

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#                                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
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data_Compound3

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H36 Ag N7 O5'
_chemical_formula_weight         670.52

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   10.3340(6)
_cell_length_b                   34.337(2)
_cell_length_c                   9.4266(3)
_cell_angle_alpha                90
_cell_angle_beta                 106.526(3)
_cell_angle_gamma                90
_cell_volume                     3206.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_F_000             1384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.676
_shelx_estimated_absorpt_T_min   0.769
_shelx_estimated_absorpt_T_max   0.905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7675
_exptl_absorpt_correction_T_max  0.9047
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26411
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.547
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5871
_reflns_number_gt                5141
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0354P)²+7.5292P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5871
_refine_ls_number_parameters     379
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.0941
_refine_ls_wR_factor_gt          0.0915
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.644 0.302 -0.146 73 19 ' '
2 0.355 0.698 0.146 73 19 ' '
3 0.645 0.198 0.354 73 19 ' '
4 0.667 0.464 0.146 7 1 ' '
5 0.333 0.964 0.354 7 1 ' '
6 0.355 0.802 0.646 73 19 ' '
7 0.667 0.036 0.646 7 1 ' '
8 0.333 0.536 0.854 7 1 ' '
_platon_squeeze_details          
;
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3894(3) 0.16119(9) -0.0642(4) 0.0223(7) Uani 1 1 d . . . . .
H1A H 0.4204 0.1850 -0.0049 0.027 Uiso 1 1 calc R U . . .
H1B H 0.4375 0.1599 -0.1411 0.027 Uiso 1 1 calc R U . . .
C4 C 0.0450(3) 0.12638(9) -0.2871(4) 0.0225(7) Uani 1 1 d . . . . .
H4A H -0.0023 0.1514 -0.3177 0.027 Uiso 1 1 calc R U . . .
H4B H 0.0185 0.1083 -0.3723 0.027 Uiso 1 1 calc R U . . .
C6 C 0.1902(3) 0.08605(9) 0.4203(3) 0.0217(7) Uani 1 1 d . . . . .
H6 H 0.2817 0.0934 0.4625 0.026 Uiso 1 1 calc R U . . .
C7 C 0.4783(3) 0.09697(10) 0.2788(4) 0.0245(7) Uani 1 1 d . . . . .
H7 H 0.4809 0.0989 0.3801 0.029 Uiso 1 1 calc R U . . .
C8 C 0.2110(3) 0.22724(9) 0.2846(4) 0.0239(7) Uani 1 1 d . . . . .
C9 C 0.5183(3) 0.06060(9) 0.0788(4) 0.0262(8) Uani 1 1 d . . . . .
H9 H 0.5463 0.0374 0.0415 0.031 Uiso 1 1 calc R U . . .
C10 C 0.4320(3) 0.12783(9) 0.1840(4) 0.0226(7) Uani 1 1 d . . . . .
H10 H 0.4013 0.1507 0.2210 0.027 Uiso 1 1 calc R U . . .
C11 C 0.4741(3) 0.09234(9) -0.0150(4) 0.0213(7) Uani 1 1 d . . . . .
H11 H 0.4747 0.0907 -0.1154 0.026 Uiso 1 1 calc R U . . .
C12 C 0.5213(3) 0.06298(10) 0.2253(4) 0.0257(7) Uani 1 1 d . . . . .
C13 C 0.0439(4) 0.06862(9) -0.1374(4) 0.0269(8) Uani 1 1 d . . . . .
H13A H 0.0923 0.0608 -0.2097 0.032 Uiso 1 1 calc R U . . .
H13B H -0.0376 0.0521 -0.1544 0.032 Uiso 1 1 calc R U . . .
C14 C -0.1408(4) 0.13336(11) 0.2060(4) 0.0300(8) Uani 1 1 d . . . . .
H14A H -0.2316 0.1236 0.2034 0.036 Uiso 1 1 calc R U . . .
H14B H -0.1244 0.1573 0.2669 0.036 Uiso 1 1 calc R U . . .
C15 C -0.0379(3) 0.10325(10) 0.2808(4) 0.0239(7) Uani 1 1 d . . . . .
C16 C 0.1830(4) 0.02119(10) 0.0392(4) 0.0301(8) Uani 1 1 d . . . . .
C17 C 0.2512(4) 0.23812(9) -0.1238(4) 0.0270(8) Uani 1 1 d . . . . .
H17A H 0.2015 0.2369 -0.0483 0.032 Uiso 1 1 calc R U . . .
H17B H 0.3491 0.2391 -0.0722 0.032 Uiso 1 1 calc R U . . .
C19 C -0.1452(3) 0.11425(10) -0.1888(4) 0.0268(7) Uani 1 1 d . . . . .
H19A H -0.1926 0.0942 -0.2605 0.032 Uiso 1 1 calc R U . . .
H19B H -0.1737 0.1402 -0.2327 0.032 Uiso 1 1 calc R U . . .
C20 C -0.0761(4) 0.06479(11) 0.2927(4) 0.0316(8) Uani 1 1 d . . . . .
H20 H -0.1672 0.0573 0.2490 0.038 Uiso 1 1 calc R U . . .
C21 C -0.1854(3) 0.11010(10) -0.0474(4) 0.0280(8) Uani 1 1 d . . . . .
H21A H -0.2848 0.1076 -0.0720 0.034 Uiso 1 1 calc R U . . .
H21B H -0.1451 0.0860 0.0042 0.034 Uiso 1 1 calc R U . . .
C23 C 0.1352(4) 0.06144(9) 0.0191(4) 0.0269(8) Uani 1 1 d . . . . .
H23A H 0.2138 0.0792 0.0389 0.032 Uiso 1 1 calc R U . . .
H23B H 0.0848 0.0674 0.0914 0.032 Uiso 1 1 calc R U . . .
C24 C -0.2390(4) 0.17611(11) 0.0050(4) 0.0339(9) Uani 1 1 d . . . . .
H24A H -0.3172 0.1716 0.0438 0.041 Uiso 1 1 calc R U . . .
H24B H -0.2723 0.1763 -0.1044 0.041 Uiso 1 1 calc R U . . .
C25 C 0.0165(4) 0.03738(10) 0.3671(4) 0.0333(9) Uani 1 1 d . . . . .
H25 H -0.0110 0.0112 0.3727 0.040 Uiso 1 1 calc R U . . .
C27 C -0.1013(5) 0.23030(15) -0.0371(6) 0.0581(12) Uani 1 1 d . U . . .
C28 C 0.5880(4) -0.00267(11) 0.2758(4) 0.0390(9) Uani 1 1 d . . . . .
H28A H 0.6573 -0.0006 0.2222 0.047 Uiso 1 1 calc R U . . .
H28B H 0.5035 -0.0124 0.2060 0.047 Uiso 1 1 calc R U . . .
C29 C 0.3650(4) 0.03063(11) 0.5961(5) 0.0383(9) Uani 1 1 d . . . . .
H29A H 0.3658 0.0576 0.6332 0.046 Uiso 1 1 calc R U . . .
H29B H 0.4258 0.0293 0.5318 0.046 Uiso 1 1 calc R U . . .
C30 C -0.1770(4) 0.21576(11) 0.0586(5) 0.0389(9) Uani 1 1 d . . . . .
H30A H -0.2496 0.2344 0.0602 0.047 Uiso 1 1 calc R U . . .
H30B H -0.1167 0.2133 0.1607 0.047 Uiso 1 1 calc R U . . .
C32 C 0.2195(3) 0.20218(9) -0.2228(4) 0.0223(7) Uani 1 1 d . . . . .
H32A H 0.1241 0.2034 -0.2836 0.027 Uiso 1 1 calc R U . . .
H32B H 0.2768 0.2025 -0.2910 0.027 Uiso 1 1 calc R U . . .
C35 C 0.4292(3) 0.12625(9) 0.0356(4) 0.0199(7) Uani 1 1 d . . . . .
C36 C 0.1494(4) 0.04808(10) 0.4337(4) 0.0270(8) Uani 1 1 d . . . . .
C38 C 0.0966(3) 0.11299(9) 0.3448(4) 0.0224(7) Uani 1 1 d . . . . .
H38 H 0.1250 0.1390 0.3364 0.027 Uiso 1 1 calc R U . . .
N2 C 0.1962(3) 0.13315(9) -0.2463(4) 0.0211(7) Uani 1 1 d . . . . .
H2A H 0.2432 0.1089 -0.2041 0.025 Uiso 1 1 calc R U . . .
H2B H 0.2220 0.1393 -0.3373 0.025 Uiso 1 1 calc R U . . .
N3 N 0.1780(3) 0.20141(8) 0.2074(3) 0.0269(6) Uani 1 1 d . . . . .
N8 N 0.2418(3) 0.16501(7) -0.1389(3) 0.0185(6) Uani 1 1 d . . . . .
N9 N 0.0024(3) 0.10993(8) -0.1626(3) 0.0213(6) Uani 1 1 d . . . . .
N10 N -0.1411(3) 0.14371(8) 0.0529(3) 0.0246(6) Uani 1 1 d . . . . .
N11 N 0.4986(3) 0.15705(10) 0.5987(3) 0.0349(7) Uani 1 1 d . . . . .
N12 N 0.2205(4) -0.01019(9) 0.0517(4) 0.0464(9) Uani 1 1 d . . . . .
O5 O 0.5654(3) 0.03415(7) 0.3296(3) 0.0354(6) Uani 1 1 d . . . . .
O6 O 0.2312(3) 0.01977(7) 0.5144(3) 0.0390(7) Uani 1 1 d . . . . .
O9 O 0.3947(3) 0.16892(9) 0.5075(3) 0.0462(7) Uani 1 1 d . . . . .
O10 O 0.5098(3) 0.12270(8) 0.6405(3) 0.0453(7) Uani 1 1 d . . . . .
O11 O 0.5945(3) 0.17998(10) 0.6476(4) 0.0695(11) Uani 1 1 d . . . . .
Ag1 Ag 0.09376(2) 0.15696(2) 0.03022(3) 0.02170(9) Uani 1 1 d . . . . .
N13 N -0.0443(6) 0.24101(17) -0.1185(7) 0.0918(16) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N8 1.492(4) . ?
C1 C35 1.508(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C4 N9 1.479(4) . ?
C4 N2 1.517(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C6 C38 1.381(5) . ?
C6 C36 1.387(5) . ?
C6 H6 0.9500 . ?
C7 C10 1.381(5) . ?
C7 C12 1.393(5) . ?
C7 H7 0.9500 . ?
C8 N3 1.136(4) . ?
C8 C17 1.459(4) 4_566 ?
C9 C12 1.375(5) . ?
C9 C11 1.396(5) . ?
C9 H9 0.9500 . ?
C10 C35 1.392(5) . ?
C10 H10 0.9500 . ?
C11 C35 1.387(4) . ?
C11 H11 0.9500 . ?
C12 O5 1.379(4) . ?
C13 N9 1.481(4) . ?
C13 C23 1.528(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 N10 1.485(5) . ?
C14 C15 1.507(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C38 1.389(5) . ?
C15 C20 1.392(5) . ?
C16 N12 1.140(5) . ?
C16 C23 1.462(5) . ?
C17 C8 1.459(4) 4_565 ?
C17 C32 1.526(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C19 N9 1.481(4) . ?
C19 C21 1.512(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C25 1.382(5) . ?
C20 H20 0.9500 . ?
C21 N10 1.480(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 N10 1.484(4) . ?
C24 C30 1.528(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C36 1.387(5) . ?
C25 H25 0.9500 . ?
C27 N13 1.152(7) . ?
C27 C30 1.441(7) . ?
C28 O5 1.406(4) . ?
C28 C29 1.510(5) 3_656 ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 O6 1.427(4) . ?
C29 C28 1.511(5) 3_656 ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C32 N8 1.485(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C36 O6 1.369(4) . ?
C38 H38 0.9500 . ?
N2 N8 1.474(4) . ?
N2 H2A 0.9900 . ?
N2 H2B 0.9900 . ?
N3 Ag1 2.247(3) . ?
N8 Ag1 2.520(3) . ?
N9 Ag1 2.414(3) . ?
N10 Ag1 2.537(3) . ?
N11 O10 1.239(4) . ?
N11 O9 1.238(4) . ?
N11 O11 1.247(4) . ?

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
N8 C1 C35 115.2(3) . . ?
N8 C1 H1A 108.5 . . ?
C35 C1 H1A 108.5 . . ?
N8 C1 H1B 108.5 . . ?
C35 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
N9 C4 N2 112.1(3) . . ?
N9 C4 H4A 109.2 . . ?
N2 C4 H4A 109.2 . . ?
N9 C4 H4B 109.2 . . ?
N2 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
C38 C6 C36 119.3(3) . . ?
C38 C6 H6 120.3 . . ?
C36 C6 H6 120.3 . . ?
C10 C7 C12 119.7(3) . . ?
C10 C7 H7 120.1 . . ?
C12 C7 H7 120.1 . . ?
N3 C8 C17 176.7(4) . 4_566 ?
C12 C9 C11 120.0(3) . . ?
C12 C9 H9 120.0 . . ?
C11 C9 H9 120.0 . . ?
C7 C10 C35 121.6(3) . . ?
C7 C10 H10 119.2 . . ?
C35 C10 H10 119.2 . . ?
C35 C11 C9 121.3(3) . . ?
C35 C11 H11 119.4 . . ?
C9 C11 H11 119.4 . . ?
C9 C12 O5 125.6(3) . . ?
C9 C12 C7 119.7(3) . . ?
O5 C12 C7 114.7(3) . . ?
N9 C13 C23 112.4(3) . . ?
N9 C13 H13A 109.1 . . ?
C23 C13 H13A 109.1 . . ?
N9 C13 H13B 109.1 . . ?
C23 C13 H13B 109.1 . . ?
H13A C13 H13B 107.9 . . ?
N10 C14 C15 115.2(3) . . ?
N10 C14 H14A 108.5 . . ?
C15 C14 H14A 108.5 . . ?
N10 C14 H14B 108.5 . . ?
C15 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
C38 C15 C20 117.7(3) . . ?
C38 C15 C14 121.6(3) . . ?
C20 C15 C14 120.7(3) . . ?
N12 C16 C23 178.5(4) . . ?
C8 C17 C32 108.8(3) 4_565 . ?
C8 C17 H17A 109.9 4_565 . ?
C32 C17 H17A 109.9 . . ?
C8 C17 H17B 109.9 4_565 . ?
C32 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
N9 C19 C21 111.8(3) . . ?
N9 C19 H19A 109.3 . . ?
C21 C19 H19A 109.3 . . ?
N9 C19 H19B 109.3 . . ?
C21 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
C25 C20 C15 121.0(3) . . ?
C25 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
N10 C21 C19 112.1(3) . . ?
N10 C21 H21A 109.2 . . ?
C19 C21 H21A 109.2 . . ?
N10 C21 H21B 109.2 . . ?
C19 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C16 C23 C13 111.8(3) . . ?
C16 C23 H23A 109.3 . . ?
C13 C23 H23A 109.3 . . ?
C16 C23 H23B 109.3 . . ?
C13 C23 H23B 109.3 . . ?
H23A C23 H23B 107.9 . . ?
N10 C24 C30 112.5(3) . . ?
N10 C24 H24A 109.1 . . ?
C30 C24 H24A 109.1 . . ?
N10 C24 H24B 109.1 . . ?
C30 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
C20 C25 C36 120.1(3) . . ?
C20 C25 H25 119.9 . . ?
C36 C25 H25 119.9 . . ?
N13 C27 C30 177.1(6) . . ?
O5 C28 C29 109.4(3) . 3_656 ?
O5 C28 H28A 109.8 . . ?
C29 C28 H28A 109.8 3_656 . ?
O5 C28 H28B 109.8 . . ?
C29 C28 H28B 109.8 3_656 . ?
H28A C28 H28B 108.3 . . ?
O6 C29 C28 107.9(3) . 3_656 ?
O6 C29 H29A 110.1 . . ?
C28 C29 H29A 110.1 3_656 . ?
O6 C29 H29B 110.1 . . ?
C28 C29 H29B 110.1 3_656 . ?
H29A C29 H29B 108.4 . . ?
C27 C30 C24 110.6(4) . . ?
C27 C30 H30A 109.5 . . ?
C24 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C24 C30 H30B 109.5 . . ?
H30A C30 H30B 108.1 . . ?
N8 C32 C17 113.3(3) . . ?
N8 C32 H32A 108.9 . . ?
C17 C32 H32A 108.9 . . ?
N8 C32 H32B 108.9 . . ?
C17 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C11 C35 C10 117.7(3) . . ?
C11 C35 C1 120.8(3) . . ?
C10 C35 C1 121.3(3) . . ?
O6 C36 C25 116.0(3) . . ?
O6 C36 C6 124.2(3) . . ?
C25 C36 C6 119.7(3) . . ?
C6 C38 C15 122.0(3) . . ?
C6 C38 H38 119.0 . . ?
C15 C38 H38 119.0 . . ?
N8 N2 C4 113.2(3) . . ?
N8 N2 H2A 108.9 . . ?
C4 N2 H2A 108.9 . . ?
N8 N2 H2B 108.9 . . ?
C4 N2 H2B 108.9 . . ?
H2A N2 H2B 107.8 . . ?
C8 N3 Ag1 171.2(3) . . ?
N2 N8 C32 107.5(2) . . ?
N2 N8 C1 110.1(2) . . ?
C32 N8 C1 108.1(2) . . ?
N2 N8 Ag1 102.71(18) . . ?
C32 N8 Ag1 113.64(19) . . ?
C1 N8 Ag1 114.49(19) . . ?
C4 N9 C19 110.8(2) . . ?
C4 N9 C13 110.8(3) . . ?
C19 N9 C13 111.1(3) . . ?
C4 N9 Ag1 101.60(18) . . ?
C19 N9 Ag1 102.84(19) . . ?
C13 N9 Ag1 119.10(19) . . ?
C21 N10 C24 109.3(3) . . ?
C21 N10 C14 110.4(3) . . ?
C24 N10 C14 106.7(3) . . ?
C21 N10 Ag1 102.4(2) . . ?
C24 N10 Ag1 115.2(2) . . ?
C14 N10 Ag1 112.8(2) . . ?
O10 N11 O9 121.2(3) . . ?
O10 N11 O11 119.4(3) . . ?
O9 N11 O11 119.3(3) . . ?
C12 O5 C28 116.3(3) . . ?
C36 O6 C29 117.7(3) . . ?
N3 Ag1 N9 179.20(10) . . ?
N3 Ag1 N8 102.66(10) . . ?
N9 Ag1 N8 76.99(9) . . ?
N3 Ag1 N10 103.69(10) . . ?
N9 Ag1 N10 76.40(9) . . ?
N8 Ag1 N10 147.21(9) . . ?

_refine_diff_density_max         1.060
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.080

_shelxl_version_number           2013-4



_database_code_depnum_ccdc_archive 'CCDC 780498'
#######################################################################
#
#                 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_Ligand_L1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H70 N12 O4'
_chemical_formula_sum            'C58 H70 N12 O4'
_chemical_formula_weight         999.26

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   16.377(4)
_cell_length_b                   17.142(5)
_cell_length_c                   9.573(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.614(8)
_cell_angle_gamma                90.00
_cell_volume                     2682.3(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3440
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      28.13

_exptl_crystal_description       PRISM
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1068
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9686
_exptl_absorpt_correction_T_max  0.9920
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean no
_diffrn_standards_number         no
_diffrn_standards_interval_count no
_diffrn_standards_interval_time  no
_diffrn_standards_decay_%        no
_diffrn_reflns_number            10105
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.1645
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.49
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5128
_reflns_number_gt                3850
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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. 
;

_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)+(0.0000P)²+0.0000P] 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         5128
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.2010
_refine_ls_wR_factor_gt          0.1737
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001

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
O1 O 0.05274(9) 0.38971(8) 0.98105(16) 0.0316(4) Uani 1 1 d . . .
O2 O 0.01009(9) 0.36386(9) 0.69141(17) 0.0359(4) Uani 1 1 d . . .
N1 N 0.31320(11) 0.41962(10) 1.77550(18) 0.0264(4) Uani 1 1 d . . .
N2 N 0.34722(11) 0.38151(10) 1.45930(18) 0.0263(4) Uani 1 1 d . . .
N3 N -0.24399(11) 0.37392(10) 0.14347(18) 0.0258(4) Uani 1 1 d . . .
N4 N 0.53181(13) 0.45477(12) 1.8412(2) 0.0436(5) Uani 1 1 d . . .
N5 N 0.49328(13) 0.27686(13) 1.2587(2) 0.0412(5) Uani 1 1 d . . .
N6 N -0.31809(15) 0.17083(13) 0.1344(3) 0.0536(6) Uani 1 1 d . . .
C01 C 0.34489(14) 0.35484(12) 1.8634(2) 0.0296(5) Uani 1 1 d . . .
H01A H 0.3619 0.3119 1.8024 0.035 Uiso 1 1 calc R . .
H01B H 0.3005 0.3349 1.9193 0.035 Uiso 1 1 calc R . .
C02 C 0.41769(15) 0.37837(13) 1.9627(2) 0.0356(6) Uani 1 1 d . . .
H02A H 0.3978 0.4115 2.0381 0.043 Uiso 1 1 calc R . .
H02B H 0.4421 0.3308 2.0067 0.043 Uiso 1 1 calc R . .
C03 C 0.48133(14) 0.42091(13) 1.8922(2) 0.0324(5) Uani 1 1 d . . .
C04 C 0.42791(13) 0.39351(12) 1.5283(2) 0.0282(5) Uani 1 1 d . . .
H04A H 0.4406 0.3498 1.5937 0.034 Uiso 1 1 calc R . .
H04B H 0.4277 0.4423 1.5837 0.034 Uiso 1 1 calc R . .
C05 C 0.49497(13) 0.39875(12) 1.4224(2) 0.0304(5) Uani 1 1 d . . .
H05A H 0.4863 0.4464 1.3648 0.036 Uiso 1 1 calc R . .
H05B H 0.5492 0.4030 1.4738 0.036 Uiso 1 1 calc R . .
C06 C 0.49402(13) 0.33041(13) 1.3310(2) 0.0299(5) Uani 1 1 d . . .
C07 C -0.27779(14) 0.35451(12) 0.0027(2) 0.0310(5) Uani 1 1 d . . .
H07A H -0.2358 0.3271 -0.0489 0.037 Uiso 1 1 calc R . .
H07B H -0.2927 0.4031 -0.0486 0.037 Uiso 1 1 calc R . .
C08 C -0.35368(14) 0.30254(13) 0.0086(2) 0.0348(5) Uani 1 1 d . . .
H08A H -0.3960 0.3304 0.0587 0.042 Uiso 1 1 calc R . .
H08B H -0.3763 0.2918 -0.0878 0.042 Uiso 1 1 calc R . .
C09 C -0.33430(14) 0.22866(14) 0.0798(3) 0.0353(5) Uani 1 1 d . . .
C1 C 0.25360(13) 0.39081(13) 1.6652(2) 0.0300(5) Uani 1 1 d . . .
H1A H 0.2243 0.4362 1.6220 0.036 Uiso 1 1 calc R . .
H1B H 0.2127 0.3581 1.7096 0.036 Uiso 1 1 calc R . .
C2 C 0.28997(14) 0.34343(12) 1.5495(2) 0.0297(5) Uani 1 1 d . . .
H2A H 0.2758 0.2901 1.5360 0.036 Uiso 1 1 calc R . .
C3 C 0.31402(13) 0.45098(12) 1.3871(2) 0.0281(5) Uani 1 1 d . . .
H3A H 0.3582 0.4769 1.3386 0.034 Uiso 1 1 calc R . .
H3B H 0.2946 0.4879 1.4573 0.034 Uiso 1 1 calc R . .
C4 C 0.24411(13) 0.43247(12) 1.2815(2) 0.0252(5) Uani 1 1 d . . .
C5 C 0.23586(13) 0.35928(12) 1.2199(2) 0.0280(5) Uani 1 1 d . . .
H5A H 0.2747 0.3199 1.2459 0.034 Uiso 1 1 calc R . .
C6 C 0.17249(13) 0.34182(12) 1.1211(2) 0.0277(5) Uani 1 1 d . . .
H6A H 0.1676 0.2909 1.0822 0.033 Uiso 1 1 calc R . .
C7 C 0.11625(12) 0.39977(12) 1.0798(2) 0.0253(5) Uani 1 1 d . . .
C8 C 0.12335(12) 0.47372(12) 1.1401(2) 0.0265(5) Uani 1 1 d . . .
H8A H 0.0853 0.5135 1.1123 0.032 Uiso 1 1 calc R . .
C9 C 0.18591(12) 0.48928(11) 1.2405(2) 0.0254(5) Uani 1 1 d . . .
H9A H 0.1894 0.5395 1.2823 0.031 Uiso 1 1 calc R . .
C10 C 0.04498(14) 0.31442(12) 0.9169(2) 0.0325(5) Uani 1 1 d . . .
H10A H 0.0307 0.2751 0.9871 0.039 Uiso 1 1 calc R . .
H10B H 0.0975 0.2990 0.8791 0.039 Uiso 1 1 calc R . .
C11 C -0.02091(14) 0.31813(13) 0.8009(2) 0.0337(5) Uani 1 1 d . . .
H11A H -0.0349 0.2650 0.7665 0.040 Uiso 1 1 calc R . .
H11B H -0.0708 0.3425 0.8346 0.040 Uiso 1 1 calc R . .
C12 C -0.03573(13) 0.36693(12) 0.5666(2) 0.0287(5) Uani 1 1 d . . .
C13 C 0.00136(14) 0.40559(13) 0.4589(3) 0.0337(5) Uani 1 1 d . . .
H13A H 0.0547 0.4270 0.4747 0.040 Uiso 1 1 calc R . .
C14 C -0.04032(13) 0.41257(13) 0.3282(3) 0.0327(5) Uani 1 1 d . . .
H14A H -0.0159 0.4410 0.2565 0.039 Uiso 1 1 calc R . .
C15 C -0.11667(13) 0.37908(11) 0.3001(2) 0.0255(5) Uani 1 1 d . . .
C16 C -0.15260(13) 0.34057(12) 0.4088(2) 0.0262(5) Uani 1 1 d . . .
H16A H -0.2051 0.3176 0.3919 0.031 Uiso 1 1 calc R . .
C17 C -0.11301(12) 0.33502(12) 0.5425(2) 0.0268(5) Uani 1 1 d . . .
H17A H -0.1389 0.3096 0.6159 0.032 Uiso 1 1 calc R . .
C18 C -0.15521(13) 0.38214(12) 0.1519(2) 0.0285(5) Uani 1 1 d . . .
H18A H -0.1409 0.4325 0.1091 0.034 Uiso 1 1 calc R . .
H18B H -0.1316 0.3400 0.0965 0.034 Uiso 1 1 calc R . .
C19 C -0.28634(13) 0.43926(11) 0.2076(2) 0.0253(5) Uani 1 1 d . . .
H19A H -0.2671 0.4423 0.3076 0.030 Uiso 1 1 calc R . .
H19B H -0.3456 0.4274 0.2036 0.030 Uiso 1 1 calc R . .
C20 C 0.27496(15) 0.48035(12) 1.8587(2) 0.0349(5) Uani 1 1 d . . .
H20A H 0.3002 0.4801 1.9555 0.042 Uiso 1 1 calc R . .
H20B H 0.2159 0.4692 1.8631 0.042 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
O1 C7 1.372(2) . ?
O1 C10 1.431(3) . ?
O2 C12 1.371(3) . ?
O2 C11 1.427(3) . ?
N1 C01 1.468(3) . ?
N1 C20 1.474(3) . ?
N1 C1 1.477(3) . ?
N2 C04 1.454(3) . ?
N2 C3 1.464(3) . ?
N2 C2 1.467(3) . ?
N3 C18 1.458(3) . ?
N3 C07 1.463(3) . ?
N3 C19 1.472(3) . ?
N4 C03 1.145(3) . ?
N5 C06 1.149(3) . ?
N6 C09 1.144(3) . ?
C01 C02 1.531(3) . ?
C01 H01A 0.9900 . ?
C01 H01B 0.9900 . ?
C02 C03 1.470(3) . ?
C02 H02A 0.9900 . ?
C02 H02B 0.9900 . ?
C04 C05 1.543(3) . ?
C04 H04A 0.9900 . ?
C04 H04B 0.9900 . ?
C05 C06 1.462(3) . ?
C05 H05A 0.9900 . ?
C05 H05B 0.9900 . ?
C07 C08 1.533(3) . ?
C07 H07A 0.9900 . ?
C07 H07B 0.9900 . ?
C08 C09 1.463(3) . ?
C08 H08A 0.9900 . ?
C08 H08B 0.9900 . ?
C1 C2 1.525(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9500 . ?
C3 C4 1.513(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.389(3) . ?
C4 C9 1.402(3) . ?
C5 C6 1.392(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.395(3) . ?
C6 H6A 0.9500 . ?
C7 C8 1.395(3) . ?
C8 C9 1.385(3) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.500(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.385(3) . ?
C12 C13 1.397(3) . ?
C13 C14 1.392(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.387(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.394(3) . ?
C15 C18 1.517(3) . ?
C16 C17 1.401(3) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.533(3) 3_567 ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C19 1.533(3) 3_567 ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 O1 C10 116.88(16) . . ?
C12 O2 C11 117.40(16) . . ?
C01 N1 C20 111.77(16) . . ?
C01 N1 C1 110.53(16) . . ?
C20 N1 C1 109.78(18) . . ?
C04 N2 C3 113.52(16) . . ?
C04 N2 C2 113.08(16) . . ?
C3 N2 C2 114.04(17) . . ?
C18 N3 C07 113.03(16) . . ?
C18 N3 C19 113.45(16) . . ?
C07 N3 C19 113.34(16) . . ?
N1 C01 C02 112.94(18) . . ?
N1 C01 H01A 109.0 . . ?
C02 C01 H01A 109.0 . . ?
N1 C01 H01B 109.0 . . ?
C02 C01 H01B 109.0 . . ?
H01A C01 H01B 107.8 . . ?
C03 C02 C01 113.12(18) . . ?
C03 C02 H02A 109.0 . . ?
C01 C02 H02A 109.0 . . ?
C03 C02 H02B 109.0 . . ?
C01 C02 H02B 109.0 . . ?
H02A C02 H02B 107.8 . . ?
N4 C03 C02 178.0(2) . . ?
N2 C04 C05 111.97(17) . . ?
N2 C04 H04A 109.2 . . ?
C05 C04 H04A 109.2 . . ?
N2 C04 H04B 109.2 . . ?
C05 C04 H04B 109.2 . . ?
H04A C04 H04B 107.9 . . ?
C06 C05 C04 111.43(17) . . ?
C06 C05 H05A 109.3 . . ?
C04 C05 H05A 109.3 . . ?
C06 C05 H05B 109.3 . . ?
C04 C05 H05B 109.3 . . ?
H05A C05 H05B 108.0 . . ?
N5 C06 C05 179.8(2) . . ?
N3 C07 C08 111.00(18) . . ?
N3 C07 H07A 109.4 . . ?
C08 C07 H07A 109.4 . . ?
N3 C07 H07B 109.4 . . ?
C08 C07 H07B 109.4 . . ?
H07A C07 H07B 108.0 . . ?
C09 C08 C07 111.57(18) . . ?
C09 C08 H08A 109.3 . . ?
C07 C08 H08A 109.3 . . ?
C09 C08 H08B 109.3 . . ?
C07 C08 H08B 109.3 . . ?
H08A C08 H08B 108.0 . . ?
N6 C09 C08 179.0(3) . . ?
N1 C1 C2 115.26(18) . . ?
N1 C1 H1A 108.5 . . ?
C2 C1 H1A 108.5 . . ?
N1 C1 H1B 108.5 . . ?
C2 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
N2 C2 C1 118.94(17) . . ?
N2 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
N2 C3 C4 112.81(17) . . ?
N2 C3 H3A 109.0 . . ?
C4 C3 H3A 109.0 . . ?
N2 C3 H3B 109.0 . . ?
C4 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C5 C4 C9 117.52(19) . . ?
C5 C4 C3 121.51(18) . . ?
C9 C4 C3 120.95(18) . . ?
C4 C5 C6 122.08(19) . . ?
C4 C5 H5A 119.0 . . ?
C6 C5 H5A 119.0 . . ?
C5 C6 C7 119.35(19) . . ?
C5 C6 H6A 120.3 . . ?
C7 C6 H6A 120.3 . . ?
O1 C7 C8 116.06(18) . . ?
O1 C7 C6 124.35(18) . . ?
C8 C7 C6 119.59(19) . . ?
C9 C8 C7 120.04(18) . . ?
C9 C8 H8A 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C8 C9 C4 121.38(19) . . ?
C8 C9 H9A 119.3 . . ?
C4 C9 H9A 119.3 . . ?
O1 C10 C11 108.64(17) . . ?
O1 C10 H10A 110.0 . . ?
C11 C10 H10A 110.0 . . ?
O1 C10 H10B 110.0 . . ?
C11 C10 H10B 110.0 . . ?
H10A C10 H10B 108.3 . . ?
O2 C11 C10 107.12(17) . . ?
O2 C11 H11A 110.3 . . ?
C10 C11 H11A 110.3 . . ?
O2 C11 H11B 110.3 . . ?
C10 C11 H11B 110.3 . . ?
H11A C11 H11B 108.5 . . ?
O2 C12 C17 125.07(19) . . ?
O2 C12 C13 114.96(19) . . ?
C17 C12 C13 120.0(2) . . ?
C14 C13 C12 119.5(2) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C15 C14 C13 121.6(2) . . ?
C15 C14 H14A 119.2 . . ?
C13 C14 H14A 119.2 . . ?
C14 C15 C16 118.0(2) . . ?
C14 C15 C18 118.97(19) . . ?
C16 C15 C18 122.99(19) . . ?
C15 C16 C17 121.44(19) . . ?
C15 C16 H16A 119.3 . . ?
C17 C16 H16A 119.3 . . ?
C12 C17 C16 119.41(19) . . ?
C12 C17 H17A 120.3 . . ?
C16 C17 H17A 120.3 . . ?
N3 C18 C15 113.79(17) . . ?
N3 C18 H18A 108.8 . . ?
C15 C18 H18A 108.8 . . ?
N3 C18 H18B 108.8 . . ?
C15 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
N3 C19 C20 116.02(16) . 3_567 ?
N3 C19 H19A 108.3 . . ?
C20 C19 H19A 108.3 3_567 . ?
N3 C19 H19B 108.3 . . ?
C20 C19 H19B 108.3 3_567 . ?
H19A C19 H19B 107.4 . . ?
N1 C20 C19 110.11(17) . 3_567 ?
N1 C20 H20A 109.6 . . ?
C19 C20 H20A 109.6 3_567 . ?
N1 C20 H20B 109.6 . . ?
C19 C20 H20B 109.6 3_567 . ?
H20A C20 H20B 108.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C20 N1 C01 C02 -67.6(2) . . . . ?
C1 N1 C01 C02 169.76(18) . . . . ?
N1 C01 C02 C03 -49.0(3) . . . . ?
C3 N2 C04 C05 -73.0(2) . . . . ?
C2 N2 C04 C05 155.02(18) . . . . ?
N2 C04 C05 C06 -54.9(2) . . . . ?
C18 N3 C07 C08 147.16(18) . . . . ?
C19 N3 C07 C08 -82.0(2) . . . . ?
N3 C07 C08 C09 -60.9(2) . . . . ?
C01 N1 C1 C2 -71.0(2) . . . . ?
C20 N1 C1 C2 165.29(17) . . . . ?
C04 N2 C2 C1 74.9(2) . . . . ?
C3 N2 C2 C1 -56.8(2) . . . . ?
N1 C1 C2 N2 -63.6(3) . . . . ?
C04 N2 C3 C4 162.56(18) . . . . ?
C2 N2 C3 C4 -66.0(2) . . . . ?
N2 C3 C4 C5 -24.8(3) . . . . ?
N2 C3 C4 C9 156.29(19) . . . . ?
C9 C4 C5 C6 -0.1(3) . . . . ?
C3 C4 C5 C6 -179.1(2) . . . . ?
C4 C5 C6 C7 1.4(3) . . . . ?
C10 O1 C7 C8 179.34(17) . . . . ?
C10 O1 C7 C6 -0.3(3) . . . . ?
C5 C6 C7 O1 178.31(19) . . . . ?
C5 C6 C7 C8 -1.3(3) . . . . ?
O1 C7 C8 C9 -179.74(18) . . . . ?
C6 C7 C8 C9 -0.1(3) . . . . ?
C7 C8 C9 C4 1.4(3) . . . . ?
C5 C4 C9 C8 -1.3(3) . . . . ?
C3 C4 C9 C8 177.66(19) . . . . ?
C7 O1 C10 C11 -173.16(18) . . . . ?
C12 O2 C11 C10 171.79(17) . . . . ?
O1 C10 C11 O2 70.6(2) . . . . ?
C11 O2 C12 C17 6.1(3) . . . . ?
C11 O2 C12 C13 -173.6(2) . . . . ?
O2 C12 C13 C14 -179.45(19) . . . . ?
C17 C12 C13 C14 0.8(3) . . . . ?
C12 C13 C14 C15 -2.8(3) . . . . ?
C13 C14 C15 C16 2.6(3) . . . . ?
C13 C14 C15 C18 -174.2(2) . . . . ?
C14 C15 C16 C17 -0.5(3) . . . . ?
C18 C15 C16 C17 176.19(18) . . . . ?
O2 C12 C17 C16 -178.44(19) . . . . ?
C13 C12 C17 C16 1.3(3) . . . . ?
C15 C16 C17 C12 -1.4(3) . . . . ?
C07 N3 C18 C15 -163.43(17) . . . . ?
C19 N3 C18 C15 65.8(2) . . . . ?
C14 C15 C18 N3 -157.45(18) . . . . ?
C16 C15 C18 N3 25.9(3) . . . . ?
C18 N3 C19 C20 62.1(2) . . . 3_567 ?
C07 N3 C19 C20 -68.5(2) . . . 3_567 ?
C01 N1 C20 C19 148.26(19) . . . 3_567 ?
C1 N1 C20 C19 -88.7(2) . . . 3_567 ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.045

_database_code_depnum_ccdc_archive 'CCDC 780499'
#######################################################################
#
#                 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_Compound2

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H36 Ag2 N8 O8'
_chemical_formula_sum            'C29 H36 Ag2 N8 O8'
_chemical_formula_weight         840.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8970 1.1020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

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

_cell_length_a                   17.614(3)
_cell_length_b                   11.581(2)
_cell_length_c                   31.048(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6333(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_F_000             3391
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    1.300
_shelx_estimated_absorpt_T_min   0.689
_shelx_estimated_absorpt_T_max   0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46569
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.204
_diffrn_reflns_theta_max         28.304
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             15211
_reflns_number_gt                11699
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.965
_reflns_Friedel_fraction_max     0.985
_reflns_Friedel_fraction_full    0.999

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
 Refined as a 2-component inversion twin.
 The SIMU and DELU restraints were applied to all atoms.
 O10 C4 C14 c24  c26 C42 C49 and c57 are ISOR restrained atoms. 
 C26 C27 and C28 and C57 were disordered and were modelled with two
 orientations that were refined using EADP.
 DFIX restraints were used to restraint several bond length to target
 values, e.g. C27 to C57 and also to the symmetry generated C26.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0647P)²+11.1356P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.23(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         15211
_refine_ls_number_parameters     850
_refine_ls_number_restraints     906
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0506
_refine_ls_wR_factor_ref         0.1390
_refine_ls_wR_factor_gt          0.1260
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.29725(5) -0.02607(7) 0.64359(3) 0.04332(18) Uani 1 1 d . U . . .
Ag2 Ag 0.00062(7) 0.46555(11) 0.57127(5) 0.0785(3) Uani 1 1 d . U . . .
Ag3 Ag 0.45247(5) 0.52142(6) 0.86910(3) 0.04068(18) Uani 1 1 d . U . . .
Ag4 Ag 0.75013(7) 0.03252(11) 0.94221(5) 0.0782(3) Uani 1 1 d . U . . .
O1 O 0.3121(4) -0.1476(5) 0.7151(2) 0.0444(15) Uani 1 1 d . U . . .
O2 O 0.3417(4) 0.0958(6) 0.7095(2) 0.0465(15) Uani 1 1 d . U . . .
O3 O 0.4066(4) 0.4024(6) 0.8014(2) 0.0488(17) Uani 1 1 d . U . . .
O4 O 0.4381(4) 0.6451(5) 0.7986(2) 0.0442(15) Uani 1 1 d . U . . .
O5 O 0.0109(5) 0.3656(9) 0.6414(3) 0.079(2) Uani 1 1 d . U . . .
O6 O 0.1088(6) 0.3023(9) 0.6725(3) 0.087(3) Uani 1 1 d . U . . .
O7 O 0.1189(6) 0.4373(9) 0.6260(3) 0.074(2) Uani 1 1 d . U . . .
O8 O -0.1319(6) 0.5210(8) 0.5641(4) 0.070(2) Uani 1 1 d . U . . .
O9 O -0.0741(7) 0.4887(10) 0.5068(4) 0.087(3) Uani 1 1 d . U . . .
O10 O -0.1851(8) 0.5433(12) 0.5029(5) 0.119(4) Uani 1 1 d . U . . .
O11 O 0.7409(4) 0.1406(9) 0.8734(3) 0.079(2) Uani 1 1 d . U . . .
O12 O 0.6347(5) 0.0617(9) 0.8867(3) 0.075(2) Uani 1 1 d . U . . .
O13 O 0.6404(6) 0.1971(9) 0.8416(3) 0.085(3) Uani 1 1 d . U . . .
O14 O 0.8883(6) -0.0148(7) 0.9491(4) 0.063(2) Uani 1 1 d . U . . .
O15 O 0.8378(8) 0.0329(12) 1.0091(5) 0.102(3) Uani 1 1 d . U . . .
O16 O 0.9569(6) -0.0037(10) 1.0029(4) 0.091(3) Uani 1 1 d . U . . .
N1 N 0.3005(4) 0.1613(7) 0.6105(3) 0.0358(15) Uani 1 1 d . U . . .
N2 N 0.2940(5) -0.2170(8) 0.6146(3) 0.0431(17) Uani 1 1 d . U . . .
N3 N 0.4147(5) -0.0315(7) 0.5976(3) 0.0431(17) Uani 1 1 d . U . . .
N4 N 0.4464(4) 0.3315(6) 0.9005(2) 0.0328(15) Uani 1 1 d . U . . .
N5 N 0.4563(4) 0.7092(7) 0.9008(2) 0.0386(16) Uani 1 1 d . U . . .
N6 N 0.3333(5) 0.5252(7) 0.9169(3) 0.0356(15) Uani 1 1 d . U . . .
N7 N 0.0928(8) 0.4816(9) 0.8473(5) 0.061(3) Uani 1 1 d . U . . .
N8 N 0.6729(6) 0.1974(11) 0.9708(3) 0.072(3) Uani 1 1 d . U . . .
N9 N 0.6590(7) 0.0188(9) 0.6668(4) 0.055(3) Uani 1 1 d . U . . .
N10 N 0.0742(5) 0.3044(10) 0.5405(3) 0.064(2) Uani 1 1 d . U . . .
N11 N 0.6946(8) -0.1580(13) 0.9555(4) 0.093(4) Uani 1 1 d . U . . .
N12 N 0.0550(7) 0.6573(14) 0.5551(5) 0.101(4) Uani 1 1 d . U . . .
N15 N 0.6719(5) 0.1326(7) 0.8664(3) 0.0491(17) Uani 1 1 d . U . . .
N16 N 0.8898(8) 0.0014(8) 0.9847(5) 0.055(3) Uani 1 1 d . U . . .
N17 N -0.1374(9) 0.5143(9) 0.5223(5) 0.069(4) Uani 1 1 d . U . . .
N18 N 0.0793(5) 0.3677(8) 0.6462(3) 0.0541(19) Uani 1 1 d . U . . .
C1 C 0.3015(7) -0.0690(9) 0.7502(3) 0.054(3) Uani 1 1 d . U . . .
H1A H 0.3066 -0.1098 0.7781 0.065 Uiso 1 1 calc R U . . .
H1B H 0.2504 -0.0334 0.7488 0.065 Uiso 1 1 calc R U . . .
C2 C 0.4417(5) 0.2404(7) 0.8670(3) 0.0356(17) Uani 1 1 d . U . . .
H2A H 0.4845 0.2505 0.8466 0.043 Uiso 1 1 calc R U . . .
H2B H 0.4478 0.1641 0.8809 0.043 Uiso 1 1 calc R U . . .
C3 C 0.3046(5) 0.2540(8) 0.6425(4) 0.0419(19) Uani 1 1 d . U . . .
H3A H 0.2618 0.2453 0.6630 0.050 Uiso 1 1 calc R U . . .
H3B H 0.2984 0.3291 0.6277 0.050 Uiso 1 1 calc R U . . .
C4 C 0.4473(5) 0.5657(8) 0.7632(3) 0.047(2) Uani 1 1 d D U . . .
H4A H 0.4424 0.6074 0.7355 0.056 Uiso 1 1 calc R U . . .
H4B H 0.4983 0.5299 0.7644 0.056 Uiso 1 1 calc R U . . .
C5 C 0.3286(6) -0.3002(8) 0.6451(4) 0.046(2) Uani 1 1 d . U . . .
H5A H 0.3777 -0.2688 0.6552 0.056 Uiso 1 1 calc R U . . .
H5B H 0.3390 -0.3734 0.6297 0.056 Uiso 1 1 calc R U . . .
C6 C 0.4203(6) 0.7915(7) 0.8695(4) 0.0438(19) Uani 1 1 d . U . . .
H6A H 0.3721 0.7572 0.8592 0.053 Uiso 1 1 calc R U . . .
H6B H 0.4075 0.8637 0.8850 0.053 Uiso 1 1 calc R U . . .
C7 C 0.5205(5) 0.3271(8) 0.9223(3) 0.0388(18) Uani 1 1 d . U . . .
H7A H 0.5268 0.3989 0.9392 0.047 Uiso 1 1 calc R U . . .
H7B H 0.5608 0.3261 0.9001 0.047 Uiso 1 1 calc R U . . .
C8 C 0.1966(8) -0.4579(11) 0.7196(5) 0.071(3) Uani 1 1 d . U . . .
H8B H 0.1724 -0.5312 0.7208 0.085 Uiso 1 1 calc R U . . .
C9 C 0.3883(9) 0.4758(10) 0.7664(4) 0.069(4) Uani 1 1 d D U . . .
H9A H 0.3863 0.4307 0.7393 0.083 Uiso 1 1 calc R U . . .
H9B H 0.3380 0.5118 0.7711 0.083 Uiso 1 1 calc R U . . .
C10 C 0.3658(5) 0.1643(8) 0.5800(3) 0.041(2) Uani 1 1 d . U . . .
H10B H 0.4099 0.1997 0.5947 0.049 Uiso 1 1 calc R U . . .
H10C H 0.3524 0.2141 0.5552 0.049 Uiso 1 1 calc R U . . .
C11 C 0.3607(5) 0.0196(9) 0.7458(3) 0.040(2) Uani 1 1 d . U . . .
H11A H 0.3642 0.0653 0.7726 0.048 Uiso 1 1 calc R U . . .
H11B H 0.4104 -0.0177 0.7406 0.048 Uiso 1 1 calc R U . . .
C12 C 0.4965(7) 0.0057(8) 0.6064(4) 0.041(2) Uani 1 1 d . U . . .
H12A H 0.5002 0.0909 0.6079 0.049 Uiso 1 1 calc R U . . .
H12B H 0.5307 -0.0224 0.5833 0.049 Uiso 1 1 calc R U . . .
C13 C 0.2273(5) 0.1651(8) 0.5877(3) 0.0399(19) Uani 1 1 d . U . . .
H13A H 0.1862 0.1672 0.6095 0.048 Uiso 1 1 calc R U . . .
H13B H 0.2215 0.0927 0.5711 0.048 Uiso 1 1 calc R U . . .
C14 C 0.2587(9) 0.4893(10) 0.9024(4) 0.059(3) Uani 1 1 d D U . . .
H14A H 0.2595 0.4045 0.8986 0.070 Uiso 1 1 calc R U . . .
H14B H 0.2220 0.5064 0.9257 0.070 Uiso 1 1 calc R U . . .
C15 C 0.3635(6) 0.4432(8) 0.9494(3) 0.0424(19) Uani 1 1 d . U . . .
H15A H 0.3254 0.4327 0.9725 0.051 Uiso 1 1 calc R U . . .
H15B H 0.4098 0.4766 0.9626 0.051 Uiso 1 1 calc R U . . .
C16 C 0.4673(5) 0.8216(7) 0.8314(3) 0.0408(18) Uani 1 1 d . U . . .
C17 C 0.3828(6) 0.3261(9) 0.9300(3) 0.041(2) Uani 1 1 d . U . . .
H17A H 0.3949 0.2714 0.9536 0.049 Uiso 1 1 calc R U . . .
H17B H 0.3378 0.2961 0.9146 0.049 Uiso 1 1 calc R U . . .
C18 C 0.3534(6) 0.3184(7) 0.8097(3) 0.0401(18) Uani 1 1 d . U . . .
C19 C 0.2790(5) -0.3256(8) 0.6838(3) 0.0419(18) Uani 1 1 d . U . . .
C20 C 0.3428(6) -0.2082(10) 0.5756(3) 0.056(3) Uani 1 1 d . U . . .
H20A H 0.3149 -0.1641 0.5534 0.067 Uiso 1 1 calc R U . . .
H20B H 0.3513 -0.2869 0.5642 0.067 Uiso 1 1 calc R U . . .
C21 C 0.2399(6) -0.4302(9) 0.6866(4) 0.058(2) Uani 1 1 d . U . . .
H21A H 0.2448 -0.4838 0.6636 0.070 Uiso 1 1 calc R U . . .
C22 C 0.3884(6) 0.0465(9) 0.5634(3) 0.047(2) Uani 1 1 d . U . . .
H22A H 0.3442 0.0111 0.5488 0.056 Uiso 1 1 calc R U . . .
H22B H 0.4293 0.0557 0.5418 0.056 Uiso 1 1 calc R U . . .
C23 C 0.2462(8) 0.1514(11) 0.8316(5) 0.071(3) Uani 1 1 d . U . . .
H23A H 0.2099 0.0941 0.8392 0.085 Uiso 1 1 calc R U . . .
C24 C 0.6320(7) -0.1985(14) 0.9513(6) 0.110(5) Uani 1 1 d . U . . .
C25 C 0.3955(6) 0.1783(7) 0.7009(3) 0.043(2) Uani 1 1 d . U . . .
C26 C 0.1186(8) 0.6585(12) 0.5628(5) 0.080(2) Uani 1 1 d . U . . .
C27 C 0.2037(10) -0.3354(16) 0.5742(6) 0.072(4) Uani 0.735(19) 1 d . U P A 1
H27A H 0.2193 -0.4068 0.5893 0.086 Uiso 0.735(19) 1 calc R U P A 1
H27B H 0.2343 -0.3283 0.5476 0.086 Uiso 0.735(19) 1 calc R U P A 1
C27' C 0.159(2) -0.2385(19) 0.5691(13) 0.072(4) Uani 0.265(19) 1 d D U P A 2
H27C H 0.1216 -0.1773 0.5762 0.086 Uiso 0.265(19) 1 calc R U P A 2
H27D H 0.1827 -0.2171 0.5414 0.086 Uiso 0.265(19) 1 calc R U P A 2
C28 C 0.5566(8) 0.8275(15) 0.9406(7) 0.057(3) Uani 0.604(17) 1 d D U P B 1
H28A H 0.5242 0.8241 0.9666 0.068 Uiso 0.604(17) 1 calc R U P B 1
H28B H 0.5532 0.9062 0.9283 0.068 Uiso 0.604(17) 1 calc R U P B 1
C28' C 0.5788(11) 0.7118(16) 0.9489(6) 0.057(3) Uani 0.396(17) 1 d D U P B 2
H28C H 0.5472 0.7081 0.9753 0.068 Uiso 0.396(17) 1 calc R U P B 2
H28D H 0.6039 0.6362 0.9444 0.068 Uiso 0.396(17) 1 calc R U P B 2
C29 C 0.5527(7) 0.9587(9) 0.7954(4) 0.060(3) Uani 1 1 d . U . . .
H29A H 0.5789 1.0304 0.7954 0.072 Uiso 1 1 calc R U . . .
C30 C 0.5962(7) -0.0072(8) 0.6615(4) 0.041(2) Uani 1 1 d . U . . .
C31 C 0.5235(6) 0.7792(10) 0.7628(3) 0.054(2) Uani 1 1 d . U . . .
H31A H 0.5301 0.7278 0.7392 0.065 Uiso 1 1 calc R U . . .
C32 C 0.5027(8) 0.3425(12) 0.6776(5) 0.079(4) Uani 1 1 d . U . . .
H32A H 0.5399 0.3968 0.6686 0.094 Uiso 1 1 calc R U . . .
C33 C 0.3782(5) 0.2556(7) 0.6676(3) 0.0396(18) Uani 1 1 d . U . . .
C34 C 0.2708(5) -0.2488(8) 0.7180(3) 0.0387(18) Uani 1 1 d . U . . .
C35 C 0.4764(5) 0.7462(7) 0.7970(3) 0.0382(18) Uani 1 1 d . U . . .
C36 C 0.1868(6) -0.3789(11) 0.7525(4) 0.064(3) Uani 1 1 d . U . . .
H36A H 0.1533 -0.3965 0.7755 0.076 Uiso 1 1 calc R U . . .
C37 C 0.5054(6) 0.9281(8) 0.8298(4) 0.051(2) Uani 1 1 d . U . . .
H37A H 0.4988 0.9811 0.8528 0.061 Uiso 1 1 calc R U . . .
C38 C 0.4106(6) 0.6993(9) 0.9398(3) 0.047(2) Uani 1 1 d . U . . .
H38A H 0.4039 0.7774 0.9522 0.056 Uiso 1 1 calc R U . . .
H38B H 0.4391 0.6527 0.9611 0.056 Uiso 1 1 calc R U . . .
C39 C 0.3697(5) 0.2405(7) 0.8422(3) 0.0369(17) Uani 1 1 d . U . . .
C40 C 0.3143(6) 0.1583(9) 0.8521(3) 0.051(2) Uani 1 1 d . U . . .
H40A H 0.3247 0.1042 0.8743 0.061 Uiso 1 1 calc R U . . .
C41 C 0.3330(5) 0.6455(8) 0.9338(3) 0.045(2) Uani 1 1 d . U . . .
H41A H 0.3064 0.6458 0.9619 0.054 Uiso 1 1 calc R U . . .
H41B H 0.3033 0.6945 0.9138 0.054 Uiso 1 1 calc R U . . .
C42 C 0.1514(10) 0.5098(11) 0.8555(5) 0.059(3) Uani 1 1 d . U . . .
C43 C 0.2296(6) 0.5412(10) 0.8624(3) 0.052(2) Uani 1 1 d D U . . .
H43A H 0.2606 0.5145 0.8378 0.063 Uiso 1 1 calc R U . . .
H43B H 0.2340 0.6263 0.8641 0.063 Uiso 1 1 calc R U . . .
C44 C 0.5604(6) 0.8839(11) 0.7623(4) 0.062(3) Uani 1 1 d . U . . .
H44A H 0.5916 0.9038 0.7385 0.074 Uiso 1 1 calc R U . . .
C45 C 0.1379(6) 0.2858(10) 0.5475(3) 0.048(2) Uani 1 1 d . U . . .
C46 C 0.2248(6) -0.2751(9) 0.7525(3) 0.050(2) Uani 1 1 d . U . . .
H46A H 0.2194 -0.2226 0.7758 0.060 Uiso 1 1 calc R U . . .
C47 C 0.2836(7) 0.3129(9) 0.7889(4) 0.063(3) Uani 1 1 d . U . . .
H47A H 0.2720 0.3671 0.7669 0.075 Uiso 1 1 calc R U . . .
C48 C 0.4645(7) 0.1871(9) 0.7228(4) 0.061(3) Uani 1 1 d . U . . .
H48A H 0.4746 0.1370 0.7463 0.074 Uiso 1 1 calc R U . . .
C49 C 0.5325(7) 0.7461(12) 0.9105(4) 0.070(3) Uani 1 1 d D U . . .
H49A H 0.5308 0.8315 0.9109 0.084 Uiso 0.604(17) 1 calc R U P B 2
H49B H 0.5634 0.7246 0.8850 0.084 Uiso 0.604(17) 1 calc R U P B 2
H49C H 0.5604 0.6745 0.9178 0.084 Uiso 0.396(17) 1 calc R U P B 1
H49D H 0.5537 0.7726 0.8826 0.084 Uiso 0.396(17) 1 calc R U P B 1
C50 C 0.2166(5) 0.2667(10) 0.5571(3) 0.054(3) Uani 1 1 d . U . . .
H50A H 0.2383 0.3372 0.5703 0.065 Uiso 1 1 calc R U . . .
H50B H 0.2444 0.2513 0.5300 0.065 Uiso 1 1 calc R U . . .
C51 C 0.4192(6) -0.1517(9) 0.5822(3) 0.051(2) Uani 1 1 d . U . . .
H51A H 0.4485 -0.1976 0.6034 0.061 Uiso 1 1 calc R U . . .
H51B H 0.4474 -0.1531 0.5547 0.061 Uiso 1 1 calc R U . . .
C52 C 0.5330(6) 0.2237(10) 0.9526(3) 0.050(2) Uani 1 1 d . U . . .
H52A H 0.5032 0.2348 0.9793 0.060 Uiso 1 1 calc R U . . .
H52B H 0.5150 0.1521 0.9385 0.060 Uiso 1 1 calc R U . . .
C53 C 0.6133(6) 0.2121(10) 0.9633(3) 0.050(2) Uani 1 1 d . U . . .
C54 C 0.4335(7) 0.3378(10) 0.6580(4) 0.058(3) Uani 1 1 d . U . . .
H54A H 0.4222 0.3938 0.6366 0.070 Uiso 1 1 calc R U . . .
C55 C 0.5174(7) 0.2665(11) 0.7107(5) 0.079(4) Uani 1 1 d . U . . .
H55A H 0.5647 0.2697 0.7253 0.094 Uiso 1 1 calc R U . . .
C56 C 0.2318(7) 0.2303(10) 0.7997(5) 0.079(4) Uani 1 1 d . U . . .
H56A H 0.1847 0.2273 0.7847 0.095 Uiso 1 1 calc R U . . .
C57 C 0.2159(8) -0.2374(14) 0.6012(5) 0.080(2) Uani 1 1 d D U . . .
H57A H 0.2099 -0.3174 0.6120 0.095 Uiso 0.735(19) 1 calc R U P A 2
H57B H 0.1896 -0.1897 0.6231 0.095 Uiso 0.735(19) 1 calc R U P A 2
H57C H 0.1843 -0.2465 0.6274 0.095 Uiso 0.265(19) 1 calc R U P A 1
H57D H 0.1975 -0.1679 0.5858 0.095 Uiso 0.265(19) 1 calc R U P A 1
C58 C 0.5176(6) -0.0487(10) 0.6497(4) 0.058(3) Uani 1 1 d . U . . .
H58A H 0.4807 -0.0252 0.6720 0.070 Uiso 1 1 calc R U . . .
H58B H 0.5170 -0.1339 0.6474 0.070 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.388(9) . ?
Ag1 N1 2.402(8) . ?
Ag1 N3 2.515(9) . ?
Ag1 N9 2.541(12) 4_455 ?
Ag1 O2 2.607(6) . ?
Ag1 O1 2.642(7) . ?
Ag2 O9 2.410(12) . ?
Ag2 O8 2.431(10) . ?
Ag2 N10 2.465(12) . ?
Ag2 N12 2.470(14) . ?
Ag2 O5 2.473(11) . ?
Ag2 O7 2.708(10) . ?
Ag3 N5 2.389(8) . ?
Ag3 N4 2.408(8) . ?
Ag3 N7 2.562(14) 4_565 ?
Ag3 N6 2.571(8) . ?
Ag3 O4 2.627(7) . ?
Ag3 O3 2.640(6) . ?
Ag4 N11 2.448(15) . ?
Ag4 O11 2.481(11) . ?
Ag4 N8 2.507(12) . ?
Ag4 O14 2.504(11) . ?
Ag4 O15 2.588(14) . ?
Ag4 O12 2.687(10) . ?
O1 C34 1.384(11) . ?
O1 C1 1.431(11) . ?
O2 C25 1.372(11) . ?
O2 C11 1.469(12) . ?
O3 C18 1.375(11) . ?
O3 C9 1.417(14) . ?
O4 C35 1.351(11) . ?
O4 C4 1.442(11) . ?
O5 N18 1.214(12) . ?
O6 N18 1.229(13) . ?
O7 N18 1.237(12) . ?
O8 N17 1.304(17) . ?
O9 N17 1.249(18) . ?
O10 N17 1.087(17) . ?
O11 N15 1.239(11) . ?
O12 N15 1.224(12) . ?
O13 N15 1.208(12) . ?
O14 N16 1.121(17) . ?
O15 N16 1.245(18) . ?
O16 N16 1.311(15) . ?
N1 C3 1.466(13) . ?
N1 C13 1.470(11) . ?
N1 C10 1.490(11) . ?
N2 C57 1.457(16) . ?
N2 C20 1.489(13) . ?
N2 C5 1.483(14) . ?
N3 C22 1.468(13) . ?
N3 C51 1.473(13) . ?
N3 C12 1.528(15) . ?
N4 C17 1.450(12) . ?
N4 C7 1.471(11) . ?
N4 C2 1.485(11) . ?
N5 C49 1.440(14) . ?
N5 C38 1.458(12) . ?
N5 C6 1.504(13) . ?
N6 C14 1.449(17) . ?
N6 C15 1.486(12) . ?
N6 C41 1.490(12) . ?
N7 C42 1.113(19) . ?
N7 Ag3 2.562(14) 4_465 ?
N8 C53 1.089(13) . ?
N9 C30 1.158(16) . ?
N9 Ag1 2.541(12) 4 ?
N10 C45 1.163(13) . ?
N11 C24 1.207(17) . ?
N12 C26 1.145(17) . ?
C1 C11 1.470(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C39 1.483(12) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C33 1.513(12) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C9 1.473(11) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C19 1.514(15) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C16 1.486(15) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C52 1.538(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C21 1.319(19) . ?
C8 C36 1.38(2) . ?
C8 H8B 0.9500 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C22 1.511(13) . ?
C10 H10B 0.9900 . ?
C10 H10C 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C58 1.530(15) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C50 1.525(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C43 1.471(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C17 1.522(13) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C35 1.389(12) . ?
C16 C37 1.404(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C39 1.383(12) . ?
C18 C47 1.391(15) . ?
C19 C34 1.393(12) . ?
C19 C21 1.395(14) . ?
C20 C51 1.510(15) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C40 1.359(17) . ?
C23 C56 1.373(19) . ?
C23 H23A 0.9500 . ?
C24 C28' 1.4006(15) 1_545 ?
C24 C28 1.4007(15) 1_545 ?
C25 C48 1.396(14) . ?
C25 C33 1.399(12) . ?
C26 C27' 1.4003(15) 1_565 ?
C26 C27 1.54(2) 1_565 ?
C27 C57 1.43(2) . ?
C27 C26 1.54(2) 1_545 ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27' C26 1.4004(15) 1_545 ?
C27' C57 1.42(2) . ?
C27' H27C 0.9900 . ?
C27' H27D 0.9900 . ?
C28 C49 1.39(2) . ?
C28 C24 1.4008(15) 1_565 ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28' C24 1.4006(15) 1_565 ?
C28' C49 1.4991(15) . ?
C28' H28C 0.9900 . ?
C28' H28D 0.9900 . ?
C29 C44 1.351(19) . ?
C29 C37 1.399(18) . ?
C29 H29A 0.9500 . ?
C30 C58 1.512(18) . ?
C31 C44 1.376(16) . ?
C31 C35 1.401(13) . ?
C31 H31A 0.9500 . ?
C32 C54 1.364(17) . ?
C32 C55 1.38(2) . ?
C32 H32A 0.9500 . ?
C33 C54 1.394(14) . ?
C34 C46 1.375(13) . ?
C36 C46 1.376(16) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C38 C41 1.515(14) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.398(13) . ?
C40 H40A 0.9500 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.44(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9500 . ?
C45 C50 1.435(13) . ?
C46 H46A 0.9500 . ?
C47 C56 1.364(17) . ?
C47 H47A 0.9500 . ?
C48 C55 1.362(18) . ?
C48 H48A 0.9500 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 H49C 0.9900 . ?
C49 H49D 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.459(14) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C54 H54A 0.9500 . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 H57C 0.9900 . ?
C57 H57D 0.9900 . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 132.5(3) . . ?
N2 Ag1 N3 77.4(3) . . ?
N1 Ag1 N3 76.1(3) . . ?
N2 Ag1 N9 96.6(3) . 4_455 ?
N1 Ag1 N9 96.6(3) . 4_455 ?
N3 Ag1 N9 161.9(4) . 4_455 ?
N2 Ag1 O2 143.6(3) . . ?
N1 Ag1 O2 80.8(2) . . ?
N3 Ag1 O2 102.3(3) . . ?
N9 Ag1 O2 92.7(3) 4_455 . ?
N2 Ag1 O1 80.0(3) . . ?
N1 Ag1 O1 147.0(2) . . ?
N3 Ag1 O1 112.5(3) . . ?
N9 Ag1 O1 82.8(3) 4_455 . ?
O2 Ag1 O1 66.31(19) . . ?
O9 Ag2 O8 51.0(4) . . ?
O9 Ag2 N10 92.8(3) . . ?
O8 Ag2 N10 132.0(3) . . ?
O9 Ag2 N12 86.7(4) . . ?
O8 Ag2 N12 96.7(4) . . ?
N10 Ag2 N12 113.4(5) . . ?
O9 Ag2 O5 145.4(4) . . ?
O8 Ag2 O5 105.9(4) . . ?
N10 Ag2 O5 87.1(3) . . ?
N12 Ag2 O5 124.9(4) . . ?
O9 Ag2 O7 162.6(4) . . ?
O8 Ag2 O7 145.9(4) . . ?
N10 Ag2 O7 75.4(3) . . ?
N12 Ag2 O7 86.4(3) . . ?
O5 Ag2 O7 48.3(3) . . ?
N5 Ag3 N4 131.8(3) . . ?
N5 Ag3 N7 95.4(3) . 4_565 ?
N4 Ag3 N7 97.9(3) . 4_565 ?
N5 Ag3 N6 76.7(3) . . ?
N4 Ag3 N6 75.3(2) . . ?
N7 Ag3 N6 160.1(4) 4_565 . ?
N5 Ag3 O4 81.4(2) . . ?
N4 Ag3 O4 146.2(2) . . ?
N7 Ag3 O4 83.1(4) 4_565 . ?
N6 Ag3 O4 113.1(2) . . ?
N5 Ag3 O3 144.3(2) . . ?
N4 Ag3 O3 80.3(2) . . ?
N7 Ag3 O3 94.5(3) 4_565 . ?
N6 Ag3 O3 102.6(3) . . ?
O4 Ag3 O3 65.92(19) . . ?
N11 Ag4 O11 125.0(4) . . ?
N11 Ag4 N8 114.2(5) . . ?
O11 Ag4 N8 83.4(3) . . ?
N11 Ag4 O14 100.2(4) . . ?
O11 Ag4 O14 104.3(3) . . ?
N8 Ag4 O14 131.6(4) . . ?
N11 Ag4 O15 96.0(4) . . ?
O11 Ag4 O15 136.8(4) . . ?
N8 Ag4 O15 92.2(4) . . ?
O14 Ag4 O15 49.6(4) . . ?
N11 Ag4 O12 85.4(4) . . ?
O11 Ag4 O12 48.3(3) . . ?
N8 Ag4 O12 73.8(3) . . ?
O14 Ag4 O12 144.8(3) . . ?
O15 Ag4 O12 165.1(4) . . ?
C34 O1 C1 114.9(7) . . ?
C34 O1 Ag1 116.9(5) . . ?
C1 O1 Ag1 106.7(5) . . ?
C25 O2 C11 114.3(7) . . ?
C25 O2 Ag1 115.5(5) . . ?
C11 O2 Ag1 110.2(5) . . ?
C18 O3 C9 114.5(8) . . ?
C18 O3 Ag3 115.3(5) . . ?
C9 O3 Ag3 111.6(6) . . ?
C35 O4 C4 117.9(7) . . ?
C35 O4 Ag3 117.1(5) . . ?
C4 O4 Ag3 106.0(5) . . ?
N18 O5 Ag2 99.9(8) . . ?
N18 O7 Ag2 87.9(7) . . ?
N17 O8 Ag2 98.4(9) . . ?
N17 O9 Ag2 101.2(9) . . ?
N15 O11 Ag4 100.2(7) . . ?
N15 O12 Ag4 90.6(6) . . ?
N16 O14 Ag4 94.0(10) . . ?
N16 O15 Ag4 87.1(9) . . ?
C3 N1 C13 110.3(7) . . ?
C3 N1 C10 112.1(8) . . ?
C13 N1 C10 111.8(7) . . ?
C3 N1 Ag1 111.8(6) . . ?
C13 N1 Ag1 102.2(5) . . ?
C10 N1 Ag1 108.2(5) . . ?
C57 N2 C20 109.0(9) . . ?
C57 N2 C5 117.7(10) . . ?
C20 N2 C5 109.1(8) . . ?
C57 N2 Ag1 106.3(8) . . ?
C20 N2 Ag1 103.2(6) . . ?
C5 N2 Ag1 110.5(6) . . ?
C22 N3 C51 111.4(8) . . ?
C22 N3 C12 104.7(8) . . ?
C51 N3 C12 105.9(8) . . ?
C22 N3 Ag1 97.7(5) . . ?
C51 N3 Ag1 104.5(6) . . ?
C12 N3 Ag1 131.8(7) . . ?
C17 N4 C7 113.1(7) . . ?
C17 N4 C2 111.7(7) . . ?
C7 N4 C2 110.4(7) . . ?
C17 N4 Ag3 109.2(5) . . ?
C7 N4 Ag3 100.3(5) . . ?
C2 N4 Ag3 111.6(5) . . ?
C49 N5 C38 111.4(8) . . ?
C49 N5 C6 109.9(9) . . ?
C38 N5 C6 110.7(8) . . ?
C49 N5 Ag3 112.5(7) . . ?
C38 N5 Ag3 104.8(6) . . ?
C6 N5 Ag3 107.4(5) . . ?
C14 N6 C15 110.7(8) . . ?
C14 N6 C41 112.0(8) . . ?
C15 N6 C41 111.0(7) . . ?
C14 N6 Ag3 123.9(8) . . ?
C15 N6 Ag3 95.1(5) . . ?
C41 N6 Ag3 102.9(6) . . ?
C42 N7 Ag3 147.1(13) . 4_465 ?
C53 N8 Ag4 124.5(10) . . ?
C30 N9 Ag1 152.0(11) . 4 ?
C45 N10 Ag2 125.0(9) . . ?
C24 N11 Ag4 134.2(13) . . ?
C26 N12 Ag2 110.3(13) . . ?
O13 N15 O12 119.8(10) . . ?
O13 N15 O11 121.1(10) . . ?
O12 N15 O11 119.0(10) . . ?
O14 N16 O15 129.2(14) . . ?
O14 N16 O16 116.0(15) . . ?
O15 N16 O16 114.5(14) . . ?
O10 N17 O9 123.3(17) . . ?
O10 N17 O8 126.3(15) . . ?
O9 N17 O8 109.3(12) . . ?
O5 N18 O6 119.2(11) . . ?
O5 N18 O7 120.7(11) . . ?
O6 N18 O7 120.0(10) . . ?
O1 C1 C11 106.2(9) . . ?
O1 C1 H1A 110.5 . . ?
C11 C1 H1A 110.5 . . ?
O1 C1 H1B 110.5 . . ?
C11 C1 H1B 110.5 . . ?
H1A C1 H1B 108.7 . . ?
C39 C2 N4 114.2(7) . . ?
C39 C2 H2A 108.7 . . ?
N4 C2 H2A 108.7 . . ?
C39 C2 H2B 108.7 . . ?
N4 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
N1 C3 C33 113.7(7) . . ?
N1 C3 H3A 108.8 . . ?
C33 C3 H3A 108.8 . . ?
N1 C3 H3B 108.8 . . ?
C33 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C9 C4 O4 108.8(9) . . ?
C9 C4 H4A 109.9 . . ?
O4 C4 H4A 109.9 . . ?
C9 C4 H4B 109.9 . . ?
O4 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
N2 C5 C19 113.4(8) . . ?
N2 C5 H5A 108.9 . . ?
C19 C5 H5A 108.9 . . ?
N2 C5 H5B 108.9 . . ?
C19 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C16 C6 N5 115.4(8) . . ?
C16 C6 H6A 108.4 . . ?
N5 C6 H6A 108.4 . . ?
C16 C6 H6B 108.4 . . ?
N5 C6 H6B 108.4 . . ?
H6A C6 H6B 107.5 . . ?
N4 C7 C52 115.8(8) . . ?
N4 C7 H7A 108.3 . . ?
C52 C7 H7A 108.3 . . ?
N4 C7 H7B 108.3 . . ?
C52 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
C21 C8 C36 119.0(11) . . ?
C21 C8 H8B 120.5 . . ?
C36 C8 H8B 120.5 . . ?
C4 C9 O3 108.3(10) . . ?
C4 C9 H9A 110.0 . . ?
O3 C9 H9A 110.0 . . ?
C4 C9 H9B 110.0 . . ?
O3 C9 H9B 110.0 . . ?
H9A C9 H9B 108.4 . . ?
N1 C10 C22 113.5(8) . . ?
N1 C10 H10B 108.9 . . ?
C22 C10 H10B 108.9 . . ?
N1 C10 H10C 108.9 . . ?
C22 C10 H10C 108.9 . . ?
H10B C10 H10C 107.7 . . ?
O2 C11 C1 109.2(8) . . ?
O2 C11 H11A 109.8 . . ?
C1 C11 H11A 109.8 . . ?
O2 C11 H11B 109.8 . . ?
C1 C11 H11B 109.8 . . ?
H11A C11 H11B 108.3 . . ?
N3 C12 C58 105.7(8) . . ?
N3 C12 H12A 110.6 . . ?
C58 C12 H12A 110.6 . . ?
N3 C12 H12B 110.6 . . ?
C58 C12 H12B 110.6 . . ?
H12A C12 H12B 108.7 . . ?
N1 C13 C50 115.5(8) . . ?
N1 C13 H13A 108.4 . . ?
C50 C13 H13A 108.4 . . ?
N1 C13 H13B 108.4 . . ?
C50 C13 H13B 108.4 . . ?
H13A C13 H13B 107.5 . . ?
C43 C14 N6 117.4(11) . . ?
C43 C14 H14A 108.0 . . ?
N6 C14 H14A 108.0 . . ?
C43 C14 H14B 108.0 . . ?
N6 C14 H14B 108.0 . . ?
H14A C14 H14B 107.2 . . ?
N6 C15 C17 112.3(7) . . ?
N6 C15 H15A 109.1 . . ?
C17 C15 H15A 109.1 . . ?
N6 C15 H15B 109.1 . . ?
C17 C15 H15B 109.1 . . ?
H15A C15 H15B 107.9 . . ?
C35 C16 C37 118.1(9) . . ?
C35 C16 C6 121.9(8) . . ?
C37 C16 C6 120.0(9) . . ?
N4 C17 C15 112.6(8) . . ?
N4 C17 H17A 109.1 . . ?
C15 C17 H17A 109.1 . . ?
N4 C17 H17B 109.1 . . ?
C15 C17 H17B 109.1 . . ?
H17A C17 H17B 107.8 . . ?
O3 C18 C39 117.2(8) . . ?
O3 C18 C47 123.1(9) . . ?
C39 C18 C47 119.5(9) . . ?
C34 C19 C21 117.1(10) . . ?
C34 C19 C5 122.7(8) . . ?
C21 C19 C5 120.1(9) . . ?
N2 C20 C51 115.7(8) . . ?
N2 C20 H20A 108.4 . . ?
C51 C20 H20A 108.4 . . ?
N2 C20 H20B 108.4 . . ?
C51 C20 H20B 108.4 . . ?
H20A C20 H20B 107.4 . . ?
C8 C21 C19 123.0(12) . . ?
C8 C21 H21A 118.5 . . ?
C19 C21 H21A 118.5 . . ?
N3 C22 C10 113.1(8) . . ?
N3 C22 H22A 109.0 . . ?
C10 C22 H22A 109.0 . . ?
N3 C22 H22B 109.0 . . ?
C10 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C40 C23 C56 117.5(12) . . ?
C40 C23 H23A 121.3 . . ?
C56 C23 H23A 121.3 . . ?
N11 C24 C28' 154.9(17) . 1_545 ?
N11 C24 C28 144.0(18) . 1_545 ?
O2 C25 C48 123.8(9) . . ?
O2 C25 C33 116.1(8) . . ?
C48 C25 C33 120.1(9) . . ?
N12 C26 C27' 122(2) . 1_565 ?
N12 C26 C27 177.8(17) . 1_565 ?
C57 C27 C26 108.5(14) . 1_545 ?
C57 C27 H27A 110.0 . . ?
C26 C27 H27A 110.0 1_545 . ?
C57 C27 H27B 110.0 . . ?
C26 C27 H27B 110.0 1_545 . ?
H27A C27 H27B 108.4 . . ?
C26 C27' C57 118(2) 1_545 . ?
C26 C27' H27C 107.9 1_545 . ?
C57 C27' H27C 107.9 . . ?
C26 C27' H27D 107.9 1_545 . ?
C57 C27' H27D 107.9 . . ?
H27C C27' H27D 107.2 . . ?
C49 C28 C24 107.5(15) . 1_565 ?
C49 C28 H28A 110.2 . . ?
C24 C28 H28A 110.2 1_565 . ?
C49 C28 H28B 110.2 . . ?
C24 C28 H28B 110.2 1_565 . ?
H28A C28 H28B 108.5 . . ?
C24 C28' C49 102.0(12) 1_565 . ?
C24 C28' H28C 111.4 1_565 . ?
C49 C28' H28C 111.4 . . ?
C24 C28' H28D 111.4 1_565 . ?
C49 C28' H28D 111.4 . . ?
H28C C28' H28D 109.2 . . ?
C44 C29 C37 118.4(10) . . ?
C44 C29 H29A 120.8 . . ?
C37 C29 H29A 120.8 . . ?
N9 C30 C58 173.0(13) . . ?
C44 C31 C35 121.8(11) . . ?
C44 C31 H31A 119.1 . . ?
C35 C31 H31A 119.1 . . ?
C54 C32 C55 118.3(12) . . ?
C54 C32 H32A 120.8 . . ?
C55 C32 H32A 120.8 . . ?
C54 C33 C25 116.3(9) . . ?
C54 C33 C3 119.7(9) . . ?
C25 C33 C3 124.0(8) . . ?
C46 C34 O1 123.2(8) . . ?
C46 C34 C19 120.9(9) . . ?
O1 C34 C19 115.9(8) . . ?
O4 C35 C16 117.3(8) . . ?
O4 C35 C31 124.0(9) . . ?
C16 C35 C31 118.6(9) . . ?
C8 C36 C46 121.2(11) . . ?
C8 C36 H36A 119.4 . . ?
C46 C36 H36A 119.4 . . ?
C29 C37 C16 122.3(10) . . ?
C29 C37 H37A 118.9 . . ?
C16 C37 H37A 118.9 . . ?
N5 C38 C41 115.4(8) . . ?
N5 C38 H38A 108.4 . . ?
C41 C38 H38A 108.4 . . ?
N5 C38 H38B 108.4 . . ?
C41 C38 H38B 108.4 . . ?
H38A C38 H38B 107.5 . . ?
C18 C39 C40 117.3(9) . . ?
C18 C39 C2 123.8(8) . . ?
C40 C39 C2 118.9(8) . . ?
C23 C40 C39 123.7(11) . . ?
C23 C40 H40A 118.2 . . ?
C39 C40 H40A 118.2 . . ?
N6 C41 C38 115.2(8) . . ?
N6 C41 H41A 108.5 . . ?
C38 C41 H41A 108.5 . . ?
N6 C41 H41B 108.5 . . ?
C38 C41 H41B 108.5 . . ?
H41A C41 H41B 107.5 . . ?
N7 C42 C43 174.6(18) . . ?
C14 C43 C42 110.8(11) . . ?
C14 C43 H43A 109.5 . . ?
C42 C43 H43A 109.5 . . ?
C14 C43 H43B 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 108.1 . . ?
C29 C44 C31 120.7(11) . . ?
C29 C44 H44A 119.6 . . ?
C31 C44 H44A 119.6 . . ?
N10 C45 C50 178.0(14) . . ?
C36 C46 C34 118.7(11) . . ?
C36 C46 H46A 120.7 . . ?
C34 C46 H46A 120.7 . . ?
C56 C47 C18 120.6(11) . . ?
C56 C47 H47A 119.7 . . ?
C18 C47 H47A 119.7 . . ?
C55 C48 C25 120.8(11) . . ?
C55 C48 H48A 119.6 . . ?
C25 C48 H48A 119.6 . . ?
C28 C49 N5 128.6(12) . . ?
N5 C49 C28' 126.4(12) . . ?
N5 C49 H49A 105.7 . . ?
C28' C49 H49A 105.7 . . ?
N5 C49 H49B 105.7 . . ?
C28' C49 H49B 105.7 . . ?
H49A C49 H49B 106.2 . . ?
C28 C49 H49C 105.2 . . ?
N5 C49 H49C 105.2 . . ?
C28 C49 H49D 105.2 . . ?
N5 C49 H49D 105.2 . . ?
H49C C49 H49D 105.9 . . ?
C45 C50 C13 111.6(8) . . ?
C45 C50 H50A 109.3 . . ?
C13 C50 H50A 109.3 . . ?
C45 C50 H50B 109.3 . . ?
C13 C50 H50B 109.3 . . ?
H50A C50 H50B 108.0 . . ?
N3 C51 C20 114.0(9) . . ?
N3 C51 H51A 108.8 . . ?
C20 C51 H51A 108.8 . . ?
N3 C51 H51B 108.8 . . ?
C20 C51 H51B 108.8 . . ?
H51A C51 H51B 107.7 . . ?
C53 C52 C7 110.4(9) . . ?
C53 C52 H52A 109.6 . . ?
C7 C52 H52A 109.6 . . ?
C53 C52 H52B 109.6 . . ?
C7 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
N8 C53 C52 176.2(13) . . ?
C32 C54 C33 123.8(11) . . ?
C32 C54 H54A 118.1 . . ?
C33 C54 H54A 118.1 . . ?
C48 C55 C32 120.5(11) . . ?
C48 C55 H55A 119.7 . . ?
C32 C55 H55A 119.7 . . ?
C47 C56 C23 121.4(11) . . ?
C47 C56 H56A 119.3 . . ?
C23 C56 H56A 119.3 . . ?
C27' C57 N2 151(2) . . ?
C27 C57 N2 116.0(13) . . ?
C27' C57 H57A 98.9 . . ?
N2 C57 H57A 98.9 . . ?
C27' C57 H57B 98.9 . . ?
N2 C57 H57B 98.9 . . ?
H57A C57 H57B 103.9 . . ?
C27 C57 H57C 108.3 . . ?
N2 C57 H57C 108.3 . . ?
C27 C57 H57D 108.3 . . ?
N2 C57 H57D 108.3 . . ?
H57C C57 H57D 107.4 . . ?
C30 C58 C12 107.8(9) . . ?
C30 C58 H58A 110.2 . . ?
C12 C58 H58A 110.2 . . ?
C30 C58 H58B 110.2 . . ?
C12 C58 H58B 110.2 . . ?
H58A C58 H58B 108.5 . . ?

_refine_diff_density_max         1.110
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.102

_shelxl_version_number           2013-4



_database_code_depnum_ccdc_archive 'CCDC 842196'
#######################################################################
#
#                 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_Compound1

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H36 Ag N6 O2, N O3'
_chemical_formula_sum            'C29 H36 Ag N7 O5'
_chemical_formula_weight         670.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8970 1.1020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   10.8117(6)
_cell_length_b                   21.4389(13)
_cell_length_c                   14.0630(6)
_cell_angle_alpha                90
_cell_angle_beta                 118.699(3)
_cell_angle_gamma                90
_cell_volume                     2859.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_F_000             1384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.260
_exptl_absorpt_coefficient_mu    0.758
_shelx_estimated_absorpt_T_min   0.767
_shelx_estimated_absorpt_T_max   0.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41785
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.147
_diffrn_reflns_theta_max         30.589
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8758
_reflns_number_gt                7525
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
 The methylene carbons C4, C7, C5 and C02 were disordered disordered over two
 sites of occupancy 0.69 and 0.31, that were refined using EADP constraints.
 Two of the oxygen atoms on the uncoordinated nitrate anion were also disordered;
 for each disordered group the restrained geometry was best approximated with
 one free variable for the N-O distance used in two DFIX cards.
 DFIX restraints were also used to restraint bond length to target values,
 in particular in the structure fragments containing the disordered atoms. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0347P)²+4.5356P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8758
_refine_ls_number_parameters     403
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0997
_refine_ls_wR_factor_gt          0.0926
_refine_ls_goodness_of_fit_ref   1.032
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.37804(2) 0.90895(2) 0.22857(2) 0.02844(6) Uani 1 1 d . . . . .
O1 O 0.39059(16) 1.01560(8) 0.31840(13) 0.0281(3) Uani 1 1 d . . . . .
O2 O 0.51390(16) 0.99000(8) 0.18118(13) 0.0292(3) Uani 1 1 d . . . . .
N1 N 0.3116(3) 0.87614(10) 0.3582(2) 0.0430(5) Uani 1 1 d D . . . .
N2 N 0.5509(2) 0.82519(12) 0.32190(19) 0.0440(6) Uani 1 1 d D . . . .
N3 N 0.38532(18) 0.85860(10) 0.08021(14) 0.0297(4) Uani 1 1 d . . . . .
N4 N 0.1277(3) 0.95990(15) 0.0937(2) 0.0540(7) Uani 1 1 d . . . . .
N5 N 0.8051(3) 0.68160(12) 0.3977(2) 0.0437(5) Uani 1 1 d . . . . .
N6 N -0.1446(4) 0.77435(17) 0.2069(3) 0.0743(10) Uani 1 1 d . . . . .
C1 C 0.1276(2) 0.87976(17) -0.0454(2) 0.0469(7) Uani 1 1 d . . . . .
H1A H 0.1403 0.9020 -0.1017 0.056 Uiso 1 1 calc R U . . .
H1B H 0.0357 0.8579 -0.0817 0.056 Uiso 1 1 calc R U . . .
C2 C 0.2448(2) 0.83167(15) 0.00883(19) 0.0401(6) Uani 1 1 d . . . . .
H2A H 0.2197 0.8030 0.0522 0.048 Uiso 1 1 calc R U . . .
H2B H 0.2502 0.8066 -0.0482 0.048 Uiso 1 1 calc R U . . .
C01 C -0.0407(7) 0.7975(2) 0.2695(5) 0.0617(13) Uani 0.691(3) 1 d . . P A 1
C02 C 0.0929(7) 0.8281(3) 0.3471(5) 0.0742(16) Uani 0.691(3) 1 d D . P A 1
H02A H 0.1584 0.7965 0.3973 0.089 Uiso 0.691(3) 1 calc R U P A 1
H02B H 0.0736 0.8591 0.3906 0.089 Uiso 0.691(3) 1 calc R U P A 1
C03 C -0.0448(16) 0.7943(5) 0.2117(12) 0.0617(13) Uani 0.309(3) 1 d . . P A 2
C04 C 0.0908(16) 0.8192(6) 0.2318(10) 0.0742(16) Uani 0.309(3) 1 d D . P A 2
H04A H 0.0780 0.8447 0.1690 0.089 Uiso 0.309(3) 1 calc R U P A 2
H04B H 0.1551 0.7843 0.2398 0.089 Uiso 0.309(3) 1 calc R U P A 2
C3 C 0.8070(3) 0.73313(14) 0.4192(2) 0.0405(6) Uani 1 1 d . . . . .
C4 C 0.3821(5) 0.81570(18) 0.3972(4) 0.0386(9) Uani 0.692(4) 1 d D . P A 1
H4A H 0.3300 0.7834 0.3418 0.046 Uiso 0.692(4) 1 calc R U P A 1
H4B H 0.3788 0.8042 0.4640 0.046 Uiso 0.692(4) 1 calc R U P A 1
C5 C 0.1610(5) 0.86038(19) 0.2883(4) 0.0479(9) Uani 0.691(3) 1 d D . P A 1
H5A H 0.1526 0.8330 0.2288 0.057 Uiso 0.691(3) 1 calc R U P A 1
H5B H 0.1083 0.8992 0.2552 0.057 Uiso 0.691(3) 1 calc R U P A 1
C6 C 0.4225(2) 0.90202(14) 0.01495(17) 0.0367(6) Uani 1 1 d . . . . .
H6A H 0.3574 0.9381 -0.0069 0.044 Uiso 1 1 calc R U . . .
H6B H 0.4068 0.8802 -0.0520 0.044 Uiso 1 1 calc R U . . .
C7 C 0.5336(4) 0.81623(19) 0.4206(3) 0.0349(7) Uani 0.692(4) 1 d D . P A 1
H7A H 0.5841 0.8501 0.4728 0.042 Uiso 0.692(4) 1 calc R U P A 1
H7B H 0.5783 0.7763 0.4556 0.042 Uiso 0.692(4) 1 calc R U P A 1
C07 C 0.4728(9) 0.7871(4) 0.3679(6) 0.0349(7) Uani 0.308(4) 1 d D . P A 2
H07A H 0.3836 0.7699 0.3095 0.042 Uiso 0.308(4) 1 calc R U P A 2
H07B H 0.5319 0.7525 0.4141 0.042 Uiso 0.308(4) 1 calc R U P A 2
C8 C 0.8118(3) 0.79895(15) 0.4507(2) 0.0524(8) Uani 1 1 d . . . . .
H8A H 0.9061 0.8159 0.4698 0.063 Uiso 1 1 calc R U . . .
H8B H 0.8011 0.8007 0.5168 0.063 Uiso 1 1 calc R U . . .
C9 C 0.6675(3) 0.90666(14) 0.0388(2) 0.0393(6) Uani 1 1 d . . . . .
H9A H 0.6391 0.8766 -0.0175 0.047 Uiso 1 1 calc R U . . .
C10 C 0.2641(2) 0.98365(11) 0.40739(16) 0.0262(4) Uani 1 1 d . . . . .
C11 C 0.2039(2) 1.08217(11) 0.31068(17) 0.0274(4) Uani 1 1 d . . . . .
H11A H 0.2167 1.1116 0.2656 0.033 Uiso 1 1 calc R U . . .
C12 C 0.2845(2) 1.02805(11) 0.34346(16) 0.0250(4) Uani 1 1 d . . . . .
C13 C 0.3496(3) 0.92450(13) 0.4440(2) 0.0360(5) Uani 1 1 d . . . . .
H13A H 0.4504 0.9353 0.4731 0.043 Uiso 1 1 calc R U . . .
H13B H 0.3384 0.9063 0.5041 0.043 Uiso 1 1 calc R U . . .
C14 C 0.1643(2) 0.99615(12) 0.44079(17) 0.0303(4) Uani 1 1 d . . . . .
H14A H 0.1503 0.9667 0.4852 0.036 Uiso 1 1 calc R U . . .
C15 C 0.6150(2) 0.97048(11) 0.15453(17) 0.0269(4) Uani 1 1 d . . . . .
C16 C 0.7521(2) 0.99351(12) 0.20420(18) 0.0298(4) Uani 1 1 d . . . . .
H16A H 0.7817 1.0231 0.2613 0.036 Uiso 1 1 calc R U . . .
C17 C 0.1038(2) 1.09283(11) 0.34468(19) 0.0313(4) Uani 1 1 d . . . . .
H17A H 0.0479 1.1296 0.3222 0.038 Uiso 1 1 calc R U . . .
C19 C 0.4182(2) 1.06198(11) 0.2572(2) 0.0307(4) Uani 1 1 d . . . . .
H19A H 0.4330 1.1032 0.2928 0.037 Uiso 1 1 calc R U . . .
H19B H 0.3371 1.0652 0.1832 0.037 Uiso 1 1 calc R U . . .
C20 C 0.6991(3) 0.84169(13) 0.3639(2) 0.0415(6) Uani 1 1 d . . . . .
H20A H 0.7128 0.8842 0.3948 0.050 Uiso 1 1 calc R U . . .
H20B H 0.7180 0.8438 0.3018 0.050 Uiso 1 1 calc R U . . .
C21 C 0.5712(2) 0.92605(13) 0.07165(17) 0.0321(5) Uani 1 1 d . . . . .
C22 C 0.0851(2) 1.05039(12) 0.41083(19) 0.0331(5) Uani 1 1 d . . . . .
H22A H 0.0188 1.0584 0.4354 0.040 Uiso 1 1 calc R U . . .
C25 C 0.8041(2) 0.93003(14) 0.0859(2) 0.0379(5) Uani 1 1 d . . . . .
H25A H 0.8677 0.9168 0.0612 0.046 Uiso 1 1 calc R U . . .
C26 C 0.5483(2) 1.04273(11) 0.25166(19) 0.0305(4) Uani 1 1 d . . . . .
H26A H 0.5816 1.0775 0.2235 0.037 Uiso 1 1 calc R U . . .
H26B H 0.6245 1.0317 0.3249 0.037 Uiso 1 1 calc R U . . .
C28 C 0.4993(3) 0.78011(13) 0.2322(3) 0.0519(8) Uani 1 1 d . . . . .
H28A H 0.4048 0.7653 0.2168 0.062 Uiso 1 1 calc R U . . .
H28B H 0.5633 0.7436 0.2547 0.062 Uiso 1 1 calc R U . . .
C30 C 0.4898(3) 0.80730(13) 0.1290(2) 0.0431(6) Uani 1 1 d . . . . .
H30A H 0.5839 0.8232 0.1453 0.052 Uiso 1 1 calc R U . . .
H30B H 0.4647 0.7735 0.0749 0.052 Uiso 1 1 calc R U . . .
C31 C 0.8457(2) 0.97271(12) 0.16908(19) 0.0325(5) Uani 1 1 d . . . . .
H31A H 0.9396 0.9882 0.2030 0.039 Uiso 1 1 calc R U . . .
C32 C 0.1252(2) 0.92505(17) 0.0308(2) 0.0448(7) Uani 1 1 d . . . . .
O3 O 0.2480(3) 0.83273(11) 0.75897(16) 0.0547(6) Uani 1 1 d D . . . .
O4 O 0.1830(4) 0.86818(18) 0.6000(2) 0.0589(8) Uani 0.691(3) 1 d D . P A 1
O5 O 0.1463(4) 0.77120(17) 0.6297(4) 0.0668(11) Uani 0.691(3) 1 d D . P A 1
N7 N 0.1960(2) 0.82493(10) 0.66069(16) 0.0350(4) Uani 1 1 d D . . . .
O4' O 0.2752(8) 0.8444(4) 0.6189(6) 0.0589(8) Uani 0.309(3) 1 d D . P A 2
C4' C 0.4454(10) 0.8350(4) 0.4336(8) 0.0386(9) Uani 0.308(4) 1 d D . P A 2
H4'1 H 0.5290 0.8623 0.4713 0.046 Uiso 0.308(4) 1 calc R U P A 2
H4'2 H 0.4293 0.8138 0.4893 0.046 Uiso 0.308(4) 1 calc R U P A 2
C5' C 0.1564(12) 0.8590(4) 0.3339(9) 0.0479(9) Uani 0.309(3) 1 d D . P A 2
H5'1 H 0.1591 0.8356 0.3955 0.057 Uiso 0.309(3) 1 calc R U P A 2
H5'2 H 0.1004 0.8975 0.3228 0.057 Uiso 0.309(3) 1 calc R U P A 2
O5' O 0.1082(8) 0.7886(4) 0.5996(9) 0.0668(11) Uani 0.309(3) 1 d D . P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.365(2) . ?
Ag1 N3 2.3836(19) . ?
Ag1 N2 2.467(2) . ?
Ag1 O2 2.5615(16) . ?
Ag1 O1 2.5842(17) . ?
Ag1 N4 2.681(2) . ?
O1 C12 1.378(2) . ?
O1 C19 1.437(3) . ?
O2 C15 1.379(2) . ?
O2 C26 1.430(3) . ?
N1 C4 1.470(4) . ?
N1 C5 1.481(6) . ?
N1 C13 1.492(4) . ?
N1 C5' 1.586(11) . ?
N1 C4' 1.588(9) . ?
N2 C20 1.459(4) . ?
N2 C28 1.470(4) . ?
N2 C7 1.500(4) . ?
N2 C07 1.525(8) . ?
N3 C2 1.478(3) . ?
N3 C30 1.487(3) . ?
N3 C6 1.491(3) . ?
N4 C32 1.148(4) . ?
N5 C3 1.143(4) . ?
N6 C03 1.133(13) . ?
N6 C01 1.155(7) . ?
C1 C32 1.456(5) . ?
C1 C2 1.523(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C01 C02 1.482(9) . ?
C02 C5 1.513(6) . ?
C02 H02A 0.9900 . ?
C02 H02B 0.9900 . ?
C03 C04 1.455(17) . ?
C04 C5' 1.523(13) . ?
C04 H04A 0.9900 . ?
C04 H04B 0.9900 . ?
C3 C8 1.472(4) . ?
C4 C7 1.508(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C21 1.502(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C07 C4' 1.503(11) . ?
C07 H07A 0.9900 . ?
C07 H07B 0.9900 . ?
C8 C20 1.545(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C21 1.390(3) . ?
C9 C25 1.390(3) . ?
C9 H9A 0.9500 . ?
C10 C14 1.394(3) . ?
C10 C12 1.398(3) . ?
C10 C13 1.507(3) . ?
C11 C12 1.390(3) . ?
C11 C17 1.396(3) . ?
C11 H11A 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C22 1.384(4) . ?
C14 H14A 0.9500 . ?
C15 C16 1.392(3) . ?
C15 C21 1.400(3) . ?
C16 C31 1.395(3) . ?
C16 H16A 0.9500 . ?
C17 C22 1.383(4) . ?
C17 H17A 0.9500 . ?
C19 C26 1.504(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C22 H22A 0.9500 . ?
C25 C31 1.380(4) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C28 C30 1.520(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9500 . ?
O3 N7 1.228(3) . ?
O4 N7 1.222(3) . ?
O5 N7 1.257(4) . ?
N7 O5' 1.210(7) . ?
N7 O4' 1.317(6) . ?
C4' H4'1 0.9900 . ?
C4' H4'2 0.9900 . ?
C5' H5'1 0.9900 . ?
C5' H5'2 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N3 133.63(8) . . ?
N1 Ag1 N2 78.84(7) . . ?
N3 Ag1 N2 78.52(8) . . ?
N1 Ag1 O2 145.77(8) . . ?
N3 Ag1 O2 79.36(6) . . ?
N2 Ag1 O2 104.45(7) . . ?
N1 Ag1 O1 81.39(7) . . ?
N3 Ag1 O1 144.34(6) . . ?
N2 Ag1 O1 122.38(7) . . ?
O2 Ag1 O1 67.97(5) . . ?
N1 Ag1 N4 95.11(8) . . ?
N3 Ag1 N4 90.68(9) . . ?
N2 Ag1 N4 157.34(10) . . ?
O2 Ag1 N4 92.86(7) . . ?
O1 Ag1 N4 77.49(8) . . ?
C12 O1 C19 117.19(17) . . ?
C12 O1 Ag1 116.21(13) . . ?
C19 O1 Ag1 107.26(13) . . ?
C15 O2 C26 116.84(16) . . ?
C15 O2 Ag1 119.53(14) . . ?
C26 O2 Ag1 110.30(11) . . ?
C4 N1 C5 104.7(3) . . ?
C4 N1 C13 114.8(3) . . ?
C5 N1 C13 118.9(2) . . ?
C13 N1 C5' 100.8(4) . . ?
C13 N1 C4' 92.1(4) . . ?
C5' N1 C4' 123.1(5) . . ?
C4 N1 Ag1 104.73(18) . . ?
C5 N1 Ag1 101.6(2) . . ?
C13 N1 Ag1 110.46(15) . . ?
C5' N1 Ag1 125.8(4) . . ?
C4' N1 Ag1 99.4(3) . . ?
C20 N2 C28 113.4(2) . . ?
C20 N2 C7 104.9(2) . . ?
C28 N2 C7 123.1(3) . . ?
C20 N2 C07 133.0(4) . . ?
C28 N2 C07 87.3(4) . . ?
C20 N2 Ag1 116.28(17) . . ?
C28 N2 Ag1 98.25(15) . . ?
C7 N2 Ag1 100.74(17) . . ?
C07 N2 Ag1 100.5(3) . . ?
C2 N3 C30 109.3(2) . . ?
C2 N3 C6 108.58(17) . . ?
C30 N3 C6 112.1(2) . . ?
C2 N3 Ag1 108.42(14) . . ?
C30 N3 Ag1 105.53(14) . . ?
C6 N3 Ag1 112.82(15) . . ?
C32 N4 Ag1 85.54(18) . . ?
C32 C1 C2 112.8(2) . . ?
C32 C1 H1A 109.0 . . ?
C2 C1 H1A 109.0 . . ?
C32 C1 H1B 109.0 . . ?
C2 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
N3 C2 C1 114.3(2) . . ?
N3 C2 H2A 108.7 . . ?
C1 C2 H2A 108.7 . . ?
N3 C2 H2B 108.7 . . ?
C1 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
N6 C01 C02 178.3(5) . . ?
C01 C02 C5 111.0(5) . . ?
C01 C02 H02A 109.4 . . ?
C5 C02 H02A 109.4 . . ?
C01 C02 H02B 109.4 . . ?
C5 C02 H02B 109.4 . . ?
H02A C02 H02B 108.0 . . ?
N6 C03 C04 173.2(14) . . ?
C03 C04 C5' 111.0(10) . . ?
C03 C04 H04A 109.4 . . ?
C5' C04 H04A 109.4 . . ?
C03 C04 H04B 109.4 . . ?
C5' C04 H04B 109.4 . . ?
H04A C04 H04B 108.0 . . ?
N5 C3 C8 178.1(3) . . ?
N1 C4 C7 112.9(3) . . ?
N1 C4 H4A 109.0 . . ?
C7 C4 H4A 109.0 . . ?
N1 C4 H4B 109.0 . . ?
C7 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
N1 C5 C02 114.2(4) . . ?
N1 C5 H5A 108.7 . . ?
C02 C5 H5A 108.7 . . ?
N1 C5 H5B 108.7 . . ?
C02 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
N3 C6 C21 115.06(19) . . ?
N3 C6 H6A 108.5 . . ?
C21 C6 H6A 108.5 . . ?
N3 C6 H6B 108.5 . . ?
C21 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
N2 C7 C4 113.8(3) . . ?
N2 C7 H7A 108.8 . . ?
C4 C7 H7A 108.8 . . ?
N2 C7 H7B 108.8 . . ?
C4 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C4' C07 N2 102.0(6) . . ?
C4' C07 H07A 111.4 . . ?
N2 C07 H07A 111.4 . . ?
C4' C07 H07B 111.4 . . ?
N2 C07 H07B 111.4 . . ?
H07A C07 H07B 109.2 . . ?
C3 C8 C20 115.5(2) . . ?
C3 C8 H8A 108.4 . . ?
C20 C8 H8A 108.4 . . ?
C3 C8 H8B 108.4 . . ?
C20 C8 H8B 108.4 . . ?
H8A C8 H8B 107.5 . . ?
C21 C9 C25 121.8(2) . . ?
C21 C9 H9A 119.1 . . ?
C25 C9 H9A 119.1 . . ?
C14 C10 C12 118.2(2) . . ?
C14 C10 C13 119.6(2) . . ?
C12 C10 C13 122.20(18) . . ?
C12 C11 C17 119.3(2) . . ?
C12 C11 H11A 120.4 . . ?
C17 C11 H11A 120.4 . . ?
O1 C12 C11 122.91(19) . . ?
O1 C12 C10 116.12(19) . . ?
C11 C12 C10 120.94(19) . . ?
N1 C13 C10 115.0(2) . . ?
N1 C13 H13A 108.5 . . ?
C10 C13 H13A 108.5 . . ?
N1 C13 H13B 108.5 . . ?
C10 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C22 C14 C10 121.6(2) . . ?
C22 C14 H14A 119.2 . . ?
C10 C14 H14A 119.2 . . ?
O2 C15 C16 123.3(2) . . ?
O2 C15 C21 115.97(18) . . ?
C16 C15 C21 120.8(2) . . ?
C15 C16 C31 119.2(2) . . ?
C15 C16 H16A 120.4 . . ?
C31 C16 H16A 120.4 . . ?
C22 C17 C11 120.6(2) . . ?
C22 C17 H17A 119.7 . . ?
C11 C17 H17A 119.7 . . ?
O1 C19 C26 108.05(19) . . ?
O1 C19 H19A 110.1 . . ?
C26 C19 H19A 110.1 . . ?
O1 C19 H19B 110.1 . . ?
C26 C19 H19B 110.1 . . ?
H19A C19 H19B 108.4 . . ?
N2 C20 C8 118.2(3) . . ?
N2 C20 H20A 107.8 . . ?
C8 C20 H20A 107.8 . . ?
N2 C20 H20B 107.8 . . ?
C8 C20 H20B 107.8 . . ?
H20A C20 H20B 107.1 . . ?
C9 C21 C15 118.2(2) . . ?
C9 C21 C6 120.2(2) . . ?
C15 C21 C6 121.5(2) . . ?
C17 C22 C14 119.3(2) . . ?
C17 C22 H22A 120.4 . . ?
C14 C22 H22A 120.4 . . ?
C31 C25 C9 118.8(2) . . ?
C31 C25 H25A 120.6 . . ?
C9 C25 H25A 120.6 . . ?
O2 C26 C19 108.31(18) . . ?
O2 C26 H26A 110.0 . . ?
C19 C26 H26A 110.0 . . ?
O2 C26 H26B 110.0 . . ?
C19 C26 H26B 110.0 . . ?
H26A C26 H26B 108.4 . . ?
N2 C28 C30 113.0(2) . . ?
N2 C28 H28A 109.0 . . ?
C30 C28 H28A 109.0 . . ?
N2 C28 H28B 109.0 . . ?
C30 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
N3 C30 C28 114.4(2) . . ?
N3 C30 H30A 108.7 . . ?
C28 C30 H30A 108.7 . . ?
N3 C30 H30B 108.7 . . ?
C28 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
C25 C31 C16 121.1(2) . . ?
C25 C31 H31A 119.5 . . ?
C16 C31 H31A 119.5 . . ?
N4 C32 C1 177.5(3) . . ?
O5' N7 O3 131.8(7) . . ?
O4 N7 O3 121.3(3) . . ?
O4 N7 O5 124.5(3) . . ?
O3 N7 O5 113.8(3) . . ?
O5' N7 O4' 110.1(7) . . ?
O3 N7 O4' 114.5(4) . . ?
C07 C4' N1 110.7(7) . . ?
C07 C4' H4'1 109.5 . . ?
N1 C4' H4'1 109.5 . . ?
C07 C4' H4'2 109.5 . . ?
N1 C4' H4'2 109.5 . . ?
H4'1 C4' H4'2 108.1 . . ?
C04 C5' N1 107.4(8) . . ?
C04 C5' H5'1 110.2 . . ?
N1 C5' H5'1 110.2 . . ?
C04 C5' H5'2 110.2 . . ?
N1 C5' H5'2 110.2 . . ?
H5'1 C5' H5'2 108.5 . . ?

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
C30 N3 C2 C1 179.4(2) . . . . ?
C6 N3 C2 C1 -58.1(3) . . . . ?
Ag1 N3 C2 C1 64.8(2) . . . . ?
C32 C1 C2 N3 -49.6(3) . . . . ?
C5 N1 C4 C7 151.2(3) . . . . ?
C13 N1 C4 C7 -76.6(4) . . . . ?
C5' N1 C4 C7 176.3(5) . . . . ?
C4' N1 C4 C7 -37.7(7) . . . . ?
Ag1 N1 C4 C7 44.7(4) . . . . ?
C4 N1 C5 C02 62.3(4) . . . . ?
C13 N1 C5 C02 -67.5(5) . . . . ?
C5' N1 C5 C02 -20.8(10) . . . . ?
C4' N1 C5 C02 56.7(7) . . . . ?
Ag1 N1 C5 C02 171.1(4) . . . . ?
C01 C02 C5 N1 -163.2(4) . . . . ?
C2 N3 C6 C21 -171.4(2) . . . . ?
C30 N3 C6 C21 -50.6(3) . . . . ?
Ag1 N3 C6 C21 68.4(2) . . . . ?
C20 N2 C7 C4 164.6(3) . . . . ?
C28 N2 C7 C4 -63.8(4) . . . . ?
C07 N2 C7 C4 -49.8(5) . . . . ?
Ag1 N2 C7 C4 43.5(3) . . . . ?
N1 C4 C7 N2 -66.0(5) . . . . ?
C20 N2 C07 C4' 85.6(7) . . . . ?
C28 N2 C07 C4' -154.4(6) . . . . ?
C7 N2 C07 C4' 37.4(5) . . . . ?
Ag1 N2 C07 C4' -56.5(6) . . . . ?
C19 O1 C12 C11 1.1(3) . . . . ?
Ag1 O1 C12 C11 -127.54(18) . . . . ?
C19 O1 C12 C10 -177.05(19) . . . . ?
Ag1 O1 C12 C10 54.3(2) . . . . ?
C17 C11 C12 O1 -176.4(2) . . . . ?
C17 C11 C12 C10 1.7(3) . . . . ?
C14 C10 C12 O1 175.87(19) . . . . ?
C13 C10 C12 O1 -1.9(3) . . . . ?
C14 C10 C12 C11 -2.3(3) . . . . ?
C13 C10 C12 C11 179.9(2) . . . . ?
C4 N1 C13 C10 -172.5(2) . . . . ?
C5 N1 C13 C10 -47.3(3) . . . . ?
C5' N1 C13 C10 -65.5(5) . . . . ?
C4' N1 C13 C10 170.3(4) . . . . ?
Ag1 N1 C13 C10 69.4(2) . . . . ?
C14 C10 C13 N1 107.8(2) . . . . ?
C12 C10 C13 N1 -74.5(3) . . . . ?
C12 C10 C14 C22 1.0(3) . . . . ?
C13 C10 C14 C22 178.8(2) . . . . ?
C26 O2 C15 C16 9.4(3) . . . . ?
Ag1 O2 C15 C16 -127.8(2) . . . . ?
C26 O2 C15 C21 -169.5(2) . . . . ?
Ag1 O2 C15 C21 53.3(2) . . . . ?
O2 C15 C16 C31 -177.6(2) . . . . ?
C21 C15 C16 C31 1.2(4) . . . . ?
C12 C11 C17 C22 0.4(3) . . . . ?
C12 O1 C19 C26 172.85(18) . . . . ?
Ag1 O1 C19 C26 -54.3(2) . . . . ?
C28 N2 C20 C8 -85.1(3) . . . . ?
C7 N2 C20 C8 51.8(3) . . . . ?
C07 N2 C20 C8 24.4(6) . . . . ?
Ag1 N2 C20 C8 162.06(18) . . . . ?
C3 C8 C20 N2 57.2(4) . . . . ?
C25 C9 C21 C15 0.1(4) . . . . ?
C25 C9 C21 C6 177.0(3) . . . . ?
O2 C15 C21 C9 177.5(2) . . . . ?
C16 C15 C21 C9 -1.4(4) . . . . ?
O2 C15 C21 C6 0.7(3) . . . . ?
C16 C15 C21 C6 -178.2(2) . . . . ?
N3 C6 C21 C9 110.3(3) . . . . ?
N3 C6 C21 C15 -73.0(3) . . . . ?
C11 C17 C22 C14 -1.8(3) . . . . ?
C10 C14 C22 C17 1.1(3) . . . . ?
C21 C9 C25 C31 1.3(4) . . . . ?
C15 O2 C26 C19 171.80(18) . . . . ?
Ag1 O2 C26 C19 -47.3(2) . . . . ?
O1 C19 C26 O2 71.3(2) . . . . ?
C20 N2 C28 C30 -68.9(3) . . . . ?
C7 N2 C28 C30 163.0(2) . . . . ?
C07 N2 C28 C30 154.7(3) . . . . ?
Ag1 N2 C28 C30 54.5(2) . . . . ?
C2 N3 C30 C28 -85.9(2) . . . . ?
C6 N3 C30 C28 153.7(2) . . . . ?
Ag1 N3 C30 C28 30.5(2) . . . . ?
N2 C28 C30 N3 -64.6(3) . . . . ?
C9 C25 C31 C16 -1.5(4) . . . . ?
C15 C16 C31 C25 0.3(4) . . . . ?
N2 C07 C4' N1 81.1(7) . . . . ?
C4 N1 C4' C07 50.3(8) . . . . ?
C5 N1 C4' C07 62.0(8) . . . . ?
C13 N1 C4' C07 -164.5(6) . . . . ?
C5' N1 C4' C07 91.2(8) . . . . ?
Ag1 N1 C4' C07 -53.3(7) . . . . ?
C03 C04 C5' N1 172.3(10) . . . . ?
C4 N1 C5' C04 -73.0(9) . . . . ?
C5 N1 C5' C04 29.4(9) . . . . ?
C13 N1 C5' C04 169.0(8) . . . . ?
C4' N1 C5' C04 -91.3(10) . . . . ?
Ag1 N1 C5' C04 43.9(10) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C1 H1B N5 0.99 2.52 3.443(3) 155.9 4_475
C2 H2A O5 0.99 2.28 3.259(5) 171.8 4_575
C2 H2A O5' 0.99 2.55 3.502(10) 160.1 4_575
C02 H02B O4 0.99 2.60 3.318(6) 129.3 .
C5 H5A O5 0.99 2.62 3.553(7) 157.6 4_575
C6 H6B O3 0.99 2.58 3.493(3) 153.0 1_554
C8 H8A O5 0.99 2.67 3.321(4) 123.8 1_655
C8 H8A O5' 0.99 2.15 2.874(8) 128.7 1_655
C11 H11A N5 0.95 2.66 3.588(3) 166.0 2_655
C13 H13B O4' 0.99 2.43 3.398(6) 166.5 .
C26 H26A O3 0.99 2.59 3.509(3) 154.1 3_676
C28 H28A O5 0.99 2.58 3.545(4) 166.3 4_575
C1 H1B N5 0.99 2.52 3.443(3) 155.9 4_475
C2 H2A O5 0.99 2.28 3.259(5) 171.8 4_575
C2 H2A O5' 0.99 2.55 3.502(10) 160.1 4_575
C02 H02B O4 0.99 2.60 3.318(6) 129.3 .
C5 H5A O5 0.99 2.62 3.553(7) 157.6 4_575
C6 H6B O3 0.99 2.58 3.493(3) 153.0 1_554
C8 H8A O5 0.99 2.67 3.321(4) 123.8 1_655
C8 H8A O5' 0.99 2.15 2.874(8) 128.7 1_655
C11 H11A N5 0.95 2.66 3.588(3) 166.0 2_655
C13 H13B O4' 0.99 2.43 3.398(6) 166.5 .
C26 H26A O3 0.99 2.59 3.509(3) 154.1 3_676
C28 H28A O5 0.99 2.58 3.545(4) 166.3 4_575

_refine_diff_density_max         1.601
_refine_diff_density_min         -1.612
_refine_diff_density_rms         0.082

_shelxl_version_number           2013-4



_database_code_depnum_ccdc_archive 'CCDC 936855'
