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

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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_P1bar

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '(C22 H14 N6 O8), 2(Ag C2 N2), 2(H2 O)'
_chemical_formula_sum            'C26 H18 Ag2 N10 O10'
_chemical_formula_weight         846.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.39140(10)
_cell_length_b                   12.4123(2)
_cell_length_c                   19.9936(2)
_cell_angle_alpha                83.0900(10)
_cell_angle_beta                 86.0110(10)
_cell_angle_gamma                79.6410(10)
_cell_volume                     2273.25(5)
_cell_formula_units_Z            3
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_F_000             1254
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.561
_exptl_crystal_size_mid          0.304
_exptl_crystal_size_min          0.274
_exptl_absorpt_coefficient_mu    11.022
_shelx_estimated_absorpt_T_min   0.063
_shelx_estimated_absorpt_T_max   0.152
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.0267
_exptl_absorpt_correction_T_max  0.2164
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'ω and ψ'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38609
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.229
_diffrn_reflns_theta_max         66.986
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.958
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.958
_reflns_number_total             7878
_reflns_number_gt                7727
_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       'APEX2 (Bruker AXS, 2004)'
_computing_cell_refinement       'SAINTPLUS (Bruker AXS, 2004)'
_computing_data_reduction        SAINTPLUS
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXLE (Hubschle, 2011)'
_computing_publication_material  'Mercury 3.1 (CCDC, 2013)'

_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)+(0.0528P)²+4.4904P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7878
_refine_ls_number_parameters     667
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0400
_refine_ls_wR_factor_ref         0.1027
_refine_ls_wR_factor_gt          0.1022
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.63017(3) 0.03348(2) 0.38979(2) 0.02982(10) Uani 1 1 d . . . . .
Ag2 Ag 0.34013(3) 0.43094(2) 0.46314(2) 0.02811(10) Uani 1 1 d . . . . .
Ag3 Ag 0.27367(3) 0.10561(2) 0.09020(2) 0.03224(10) Uani 1 1 d . . . . .
O1 O -0.0318(3) 0.9527(2) 0.58740(17) 0.0373(7) Uani 1 1 d . . . . .
O2 O -0.2545(3) 1.0170(2) 0.61668(17) 0.0379(7) Uani 1 1 d . . . . .
O3 O -0.4297(3) 0.6140(2) 0.79393(14) 0.0306(6) Uani 1 1 d . . . . .
O4 O -0.5196(3) 0.7871(2) 0.76900(15) 0.0344(6) Uani 1 1 d . . . . .
O5 O 0.9320(3) 0.6010(2) 0.03333(13) 0.0267(5) Uani 1 1 d . . . . .
O6 O 0.9423(3) 0.7745(2) 0.03033(13) 0.0278(6) Uani 1 1 d . . . . .
O7 O 0.5984(3) 0.9985(2) 0.16139(14) 0.0301(6) Uani 1 1 d . . . . .
O8 O 0.4601(3) 0.9304(2) 0.23946(14) 0.0315(6) Uani 1 1 d . . . . .
O9 O 0.7670(3) 0.3591(2) 0.19359(13) 0.0264(6) Uani 1 1 d . . . . .
O10 O 0.8608(4) 0.2537(3) 0.27883(14) 0.0473(9) Uani 1 1 d . . . . .
O11 O 1.1562(4) -0.0853(3) 0.2510(2) 0.0589(11) Uani 1 1 d . . . . .
O12 O 1.1069(4) -0.1829(3) 0.1757(2) 0.0526(10) Uani 1 1 d . . . . .
O13 O -0.0208(3) 0.6480(2) 0.27487(15) 0.0312(6) Uani 1 1 d D . . . .
O14 O 0.3908(3) 0.6392(3) 0.12171(14) 0.0323(6) Uani 1 1 d D . . . .
O15 O 0.1232(3) 0.5734(3) 0.15586(16) 0.0369(7) Uani 1 1 d D . . . .
N1 N 0.3952(4) 0.1762(3) 0.47621(17) 0.0292(7) Uani 1 1 d . . . . .
N2 N 0.8399(4) -0.1260(3) 0.29700(17) 0.0305(7) Uani 1 1 d . . . . .
N3 N 0.5636(5) 0.4471(3) 0.3418(2) 0.0373(8) Uani 1 1 d . . . . .
N4 N 0.1238(4) 0.4232(3) 0.5932(2) 0.0382(8) Uani 1 1 d . . . . .
N5 N 0.1311(4) 0.3400(4) 0.13438(19) 0.0394(9) Uani 1 1 d . . . . .
N6 N 0.3815(5) -0.1325(4) 0.0487(2) 0.0494(10) Uani 1 1 d . . . . .
N7 N -0.1525(3) 0.9421(2) 0.61228(15) 0.0236(6) Uani 1 1 d . . . . .
N8 N -0.4266(3) 0.7044(3) 0.76300(16) 0.0259(7) Uani 1 1 d . . . . .
N9 N 0.8977(3) 0.6907(2) 0.05480(15) 0.0216(6) Uani 1 1 d . . . . .
N10 N 0.5577(3) 0.9211(2) 0.19594(15) 0.0219(6) Uani 1 1 d . . . . .
N11 N 0.8276(3) 0.2715(2) 0.21986(15) 0.0216(6) Uani 1 1 d . . . . .
N12 N 1.0948(4) -0.0971(3) 0.2017(2) 0.0390(9) Uani 1 1 d . . . . .
N13 N 0.0144(3) 0.7415(2) 0.55900(14) 0.0171(5) Uani 1 1 d . . . . .
N14 N 0.5065(3) 0.7161(2) 0.28243(14) 0.0168(5) Uani 1 1 d . . . . .
N15 N 0.7261(3) 0.2759(2) 0.08114(13) 0.0161(5) Uani 1 1 d . . . . .
C1 C 0.4791(5) 0.1311(3) 0.4473(2) 0.0309(9) Uani 1 1 d . . . . .
C2 C 0.7707(4) -0.0667(3) 0.3294(2) 0.0271(8) Uani 1 1 d . . . . .
C3 C 0.4906(5) 0.4442(3) 0.3813(2) 0.0262(8) Uani 1 1 d . . . . .
C4 C 0.1956(4) 0.4278(3) 0.5459(2) 0.0304(8) Uani 1 1 d . . . . .
C5 C 0.1851(5) 0.2584(4) 0.1197(2) 0.0323(9) Uani 1 1 d . . . . .
C6 C 0.3494(5) -0.0514(4) 0.0615(2) 0.0362(9) Uani 1 1 d . . . . .
C7 C 0.2089(4) 0.7368(3) 0.44991(17) 0.0171(6) Uani 1 1 d . . . . .
C8 C 0.2548(4) 0.7042(3) 0.51548(17) 0.0196(7) Uani 1 1 d . . . . .
H8 H 0.3550 0.6805 0.5227 0.023 Uiso 1 1 calc R U . . .
C9 C 0.1566(4) 0.7062(3) 0.56932(17) 0.0189(7) Uani 1 1 d . . . . .
H9 H 0.1882 0.6829 0.6137 0.023 Uiso 1 1 calc R U . . .
C10 C -0.0337(4) 0.7761(3) 0.49631(17) 0.0195(7) Uani 1 1 d . . . . .
H10 H -0.1340 0.8021 0.4906 0.023 Uiso 1 1 calc R U . . .
C11 C 0.0612(4) 0.7737(3) 0.44150(17) 0.0189(7) Uani 1 1 d . . . . .
H11 H 0.0269 0.7972 0.3976 0.023 Uiso 1 1 calc R U . . .
C12 C -0.0913(4) 0.7367(3) 0.61552(16) 0.0184(7) Uani 1 1 d . . . . .
C13 C -0.1754(4) 0.8304(3) 0.63874(17) 0.0190(7) Uani 1 1 d . . . . .
C14 C -0.2847(4) 0.8211(3) 0.68764(17) 0.0200(7) Uani 1 1 d . . . . .
H14 H -0.3443 0.8846 0.7029 0.024 Uiso 1 1 calc R U . . .
C15 C -0.3051(4) 0.7164(3) 0.71381(17) 0.0206(7) Uani 1 1 d . . . . .
C16 C -0.2185(4) 0.6220(3) 0.69441(18) 0.0220(7) Uani 1 1 d . . . . .
H16 H -0.2322 0.5514 0.7151 0.026 Uiso 1 1 calc R U . . .
C17 C -0.1105(4) 0.6325(3) 0.64382(18) 0.0205(7) Uani 1 1 d . . . . .
H17 H -0.0507 0.5689 0.6289 0.025 Uiso 1 1 calc R U . . .
C18 C 0.3138(4) 0.7280(3) 0.39138(16) 0.0166(6) Uani 1 1 d . . . . .
C19 C 0.2747(4) 0.6997(3) 0.33083(17) 0.0177(6) Uani 1 1 d . . . . .
H19 H 0.1803 0.6842 0.3270 0.021 Uiso 1 1 calc R U . . .
C20 C 0.3727(4) 0.6943(3) 0.27671(16) 0.0176(6) Uani 1 1 d . . . . .
H20 H 0.3463 0.6752 0.2352 0.021 Uiso 1 1 calc R U . . .
C21 C 0.5501(4) 0.7386(3) 0.34139(18) 0.0202(7) Uani 1 1 d . . . . .
H21 H 0.6468 0.7496 0.3446 0.024 Uiso 1 1 calc R U . . .
C22 C 0.4557(4) 0.7456(3) 0.39639(17) 0.0199(7) Uani 1 1 d . . . . .
H22 H 0.4861 0.7622 0.4378 0.024 Uiso 1 1 calc R U . . .
C23 C 0.6059(3) 0.7134(3) 0.22362(16) 0.0173(6) Uani 1 1 d . . . . .
C24 C 0.6765(4) 0.6110(3) 0.20839(17) 0.0197(7) Uani 1 1 d . . . . .
H24 H 0.6591 0.5463 0.2359 0.024 Uiso 1 1 calc R U . . .
C25 C 0.7729(4) 0.6032(3) 0.15261(18) 0.0205(7) Uani 1 1 d . . . . .
H25 H 0.8228 0.5336 0.1415 0.025 Uiso 1 1 calc R U . . .
C26 C 0.7946(4) 0.6984(3) 0.11388(17) 0.0197(7) Uani 1 1 d . . . . .
C27 C 0.7253(4) 0.8024(3) 0.12734(17) 0.0202(7) Uani 1 1 d . . . . .
H27 H 0.7429 0.8666 0.0993 0.024 Uiso 1 1 calc R U . . .
C28 C 0.6298(4) 0.8093(3) 0.18312(17) 0.0184(7) Uani 1 1 d . . . . .
C29 C 0.5840(4) 0.2737(3) 0.08012(18) 0.0233(7) Uani 1 1 d . . . . .
H29 H 0.5461 0.2113 0.1010 0.028 Uiso 1 1 calc R U . . .
C30 C 0.4932(4) 0.3619(3) 0.04897(19) 0.0255(8) Uani 1 1 d . . . . .
H30 H 0.3922 0.3609 0.0492 0.031 Uiso 1 1 calc R U . . .
C31 C 0.5482(4) 0.4522(3) 0.01723(16) 0.0171(6) Uani 1 1 d . . . . .
C32 C 0.6975(4) 0.4493(3) 0.01800(18) 0.0229(7) Uani 1 1 d . . . . .
H32 H 0.7390 0.5090 -0.0045 0.027 Uiso 1 1 calc R U . . .
C33 C 0.7836(4) 0.3620(3) 0.05060(18) 0.0220(7) Uani 1 1 d . . . . .
H33 H 0.8846 0.3617 0.0519 0.026 Uiso 1 1 calc R U . . .
C34 C 0.8208(3) 0.1816(3) 0.11401(17) 0.0169(6) Uani 1 1 d . . . . .
C35 C 0.8658(4) 0.1786(3) 0.17924(17) 0.0183(7) Uani 1 1 d . . . . .
C36 C 0.9544(4) 0.0863(3) 0.20796(19) 0.0237(7) Uani 1 1 d . . . . .
H36 H 0.9856 0.0829 0.2525 0.028 Uiso 1 1 calc R U . . .
C37 C 0.9964(4) -0.0009(3) 0.1704(2) 0.0265(8) Uani 1 1 d . . . . .
C38 C 0.9542(4) -0.0004(3) 0.1060(2) 0.0282(8) Uani 1 1 d . . . . .
H38 H 0.9863 -0.0619 0.0813 0.034 Uiso 1 1 calc R U . . .
C39 C 0.8633(4) 0.0924(3) 0.07774(18) 0.0213(7) Uani 1 1 d . . . . .
H39 H 0.8305 0.0945 0.0336 0.026 Uiso 1 1 calc R U . . .
H13A H -0.058(5) 0.623(4) 0.3137(14) 0.026 Uiso 1 1 d D U . . .
H13B H -0.061(5) 0.7180(19) 0.275(2) 0.026 Uiso 1 1 d D U . . .
H14A H 0.306(3) 0.618(4) 0.133(2) 0.026 Uiso 1 1 d D U . . .
H14B H 0.379(5) 0.707(2) 0.099(2) 0.026 Uiso 1 1 d D U . . .
H15A H 0.087(5) 0.597(4) 0.1941(14) 0.026 Uiso 1 1 d D U . . .
H15B H 0.125(5) 0.5027(18) 0.152(2) 0.026 Uiso 1 1 d 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
Ag1 C1 2.073(5) . ?
Ag1 C2 2.073(4) . ?
Ag2 C4 2.067(4) . ?
Ag2 C3 2.097(5) . ?
Ag3 C5 2.067(5) . ?
Ag3 C6 2.085(6) . ?
O1 N7 1.227(4) . ?
O2 N7 1.216(4) . ?
O3 N8 1.218(4) . ?
O4 N8 1.234(4) . ?
O5 N9 1.224(4) . ?
O6 N9 1.225(4) . ?
O7 N10 1.217(4) . ?
O8 N10 1.219(4) . ?
O9 N11 1.210(4) . ?
O10 N11 1.224(4) . ?
O11 N12 1.212(6) . ?
O12 N12 1.224(6) . ?
O13 H13A 0.871(19) . ?
O13 H13B 0.883(19) . ?
O14 H14A 0.889(19) . ?
O14 H14B 0.898(19) . ?
O15 H15A 0.875(19) . ?
O15 H15B 0.885(19) . ?
N1 C1 1.060(5) . ?
N2 C2 1.126(5) . ?
N3 C3 1.011(6) . ?
N4 C4 1.124(6) . ?
N5 C5 1.111(6) . ?
N6 C6 1.054(7) . ?
N7 C13 1.471(4) . ?
N8 C15 1.470(5) . ?
N9 C26 1.476(4) . ?
N10 C28 1.474(4) . ?
N11 C35 1.468(4) . ?
N12 C37 1.476(5) . ?
N13 C9 1.351(4) . ?
N13 C10 1.356(4) . ?
N13 C12 1.454(4) . ?
N14 C20 1.348(4) . ?
N14 C21 1.350(5) . ?
N14 C23 1.450(4) . ?
N15 C29 1.341(5) . ?
N15 C33 1.347(5) . ?
N15 C34 1.454(4) . ?
C7 C11 1.395(5) . ?
C7 C8 1.399(5) . ?
C7 C18 1.477(5) . ?
C8 C9 1.367(5) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C11 1.363(5) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C17 1.385(5) . ?
C12 C13 1.393(5) . ?
C13 C14 1.378(5) . ?
C14 C15 1.382(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.381(5) . ?
C16 C17 1.393(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.391(5) . ?
C18 C22 1.402(5) . ?
C19 C20 1.371(5) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.364(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.382(5) . ?
C23 C28 1.401(5) . ?
C24 C25 1.388(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.372(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.385(5) . ?
C27 C28 1.383(5) . ?
C27 H27 0.9500 . ?
C29 C30 1.373(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.385(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.396(5) . ?
C31 C31 1.485(7) 2_665 ?
C32 C33 1.357(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.380(5) . ?
C34 C35 1.393(5) . ?
C35 C36 1.378(5) . ?
C36 C37 1.376(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.372(6) . ?
C38 C39 1.390(5) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ag1 C2 176.46(15) . . ?
C4 Ag2 C3 175.95(15) . . ?
C5 Ag3 C6 176.20(16) . . ?
H13A O13 H13B 98(4) . . ?
H14A O14 H14B 111(4) . . ?
H15A O15 H15B 116(4) . . ?
O2 N7 O1 125.0(3) . . ?
O2 N7 C13 117.5(3) . . ?
O1 N7 C13 117.5(3) . . ?
O3 N8 O4 124.8(3) . . ?
O3 N8 C15 118.1(3) . . ?
O4 N8 C15 117.0(3) . . ?
O5 N9 O6 124.5(3) . . ?
O5 N9 C26 117.5(3) . . ?
O6 N9 C26 118.0(3) . . ?
O7 N10 O8 124.1(3) . . ?
O7 N10 C28 117.5(3) . . ?
O8 N10 C28 118.3(3) . . ?
O9 N11 O10 124.7(3) . . ?
O9 N11 C35 118.9(3) . . ?
O10 N11 C35 116.5(3) . . ?
O11 N12 O12 125.4(4) . . ?
O11 N12 C37 117.8(4) . . ?
O12 N12 C37 116.8(4) . . ?
C9 N13 C10 121.5(3) . . ?
C9 N13 C12 119.7(3) . . ?
C10 N13 C12 118.7(3) . . ?
C20 N14 C21 121.7(3) . . ?
C20 N14 C23 118.5(3) . . ?
C21 N14 C23 119.7(3) . . ?
C29 N15 C33 121.4(3) . . ?
C29 N15 C34 119.3(3) . . ?
C33 N15 C34 119.3(3) . . ?
N1 C1 Ag1 174.8(4) . . ?
N2 C2 Ag1 175.0(3) . . ?
N3 C3 Ag2 177.5(4) . . ?
N4 C4 Ag2 175.9(4) . . ?
N5 C5 Ag3 176.5(4) . . ?
N6 C6 Ag3 176.2(5) . . ?
C11 C7 C8 118.1(3) . . ?
C11 C7 C18 121.3(3) . . ?
C8 C7 C18 120.6(3) . . ?
C9 C8 C7 120.6(3) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
N13 C9 C8 119.5(3) . . ?
N13 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
N13 C10 C11 120.3(3) . . ?
N13 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C7 119.9(3) . . ?
C10 C11 H11 120.0 . . ?
C7 C11 H11 120.0 . . ?
C17 C12 C13 120.6(3) . . ?
C17 C12 N13 116.4(3) . . ?
C13 C12 N13 122.9(3) . . ?
C14 C13 C12 120.5(3) . . ?
C14 C13 N7 117.5(3) . . ?
C12 C13 N7 122.0(3) . . ?
C13 C14 C15 117.9(3) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
C16 C15 C14 122.9(3) . . ?
C16 C15 N8 118.3(3) . . ?
C14 C15 N8 118.8(3) . . ?
C15 C16 C17 118.7(3) . . ?
C15 C16 H16 120.7 . . ?
C17 C16 H16 120.7 . . ?
C12 C17 C16 119.3(3) . . ?
C12 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C19 C18 C22 118.7(3) . . ?
C19 C18 C7 120.8(3) . . ?
C22 C18 C7 120.5(3) . . ?
C20 C19 C18 119.8(3) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
N14 C20 C19 119.9(3) . . ?
N14 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
N14 C21 C22 120.2(3) . . ?
N14 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C18 119.5(3) . . ?
C21 C22 H22 120.3 . . ?
C18 C22 H22 120.3 . . ?
C24 C23 C28 120.8(3) . . ?
C24 C23 N14 117.0(3) . . ?
C28 C23 N14 122.2(3) . . ?
C23 C24 C25 119.6(3) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C26 C25 C24 118.5(3) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C25 C26 C27 123.6(3) . . ?
C25 C26 N9 118.7(3) . . ?
C27 C26 N9 117.7(3) . . ?
C28 C27 C26 117.5(3) . . ?
C28 C27 H27 121.3 . . ?
C26 C27 H27 121.3 . . ?
C27 C28 C23 120.1(3) . . ?
C27 C28 N10 116.1(3) . . ?
C23 C28 N10 123.8(3) . . ?
N15 C29 C30 120.0(3) . . ?
N15 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C31 120.3(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C30 C31 C32 117.6(3) . . ?
C30 C31 C31 120.9(4) . 2_665 ?
C32 C31 C31 121.4(4) . 2_665 ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
N15 C33 C32 120.1(3) . . ?
N15 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C39 C34 C35 120.6(3) . . ?
C39 C34 N15 116.7(3) . . ?
C35 C34 N15 122.7(3) . . ?
C36 C35 C34 120.0(3) . . ?
C36 C35 N11 116.6(3) . . ?
C34 C35 N11 123.3(3) . . ?
C37 C36 C35 118.1(3) . . ?
C37 C36 H36 120.9 . . ?
C35 C36 H36 120.9 . . ?
C38 C37 C36 123.3(3) . . ?
C38 C37 N12 119.9(4) . . ?
C36 C37 N12 116.8(4) . . ?
C37 C38 C39 118.2(3) . . ?
C37 C38 H38 120.9 . . ?
C39 C38 H38 120.9 . . ?
C34 C39 C38 119.8(3) . . ?
C34 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 C7 C8 C9 1.6(5) . . . . ?
C18 C7 C8 C9 -176.1(3) . . . . ?
C10 N13 C9 C8 -0.6(5) . . . . ?
C12 N13 C9 C8 175.9(3) . . . . ?
C7 C8 C9 N13 -1.0(5) . . . . ?
C9 N13 C10 C11 1.4(5) . . . . ?
C12 N13 C10 C11 -175.0(3) . . . . ?
N13 C10 C11 C7 -0.8(5) . . . . ?
C8 C7 C11 C10 -0.7(5) . . . . ?
C18 C7 C11 C10 176.9(3) . . . . ?
C9 N13 C12 C17 -68.0(4) . . . . ?
C10 N13 C12 C17 108.5(4) . . . . ?
C9 N13 C12 C13 115.2(4) . . . . ?
C10 N13 C12 C13 -68.3(4) . . . . ?
C17 C12 C13 C14 -3.7(5) . . . . ?
N13 C12 C13 C14 173.0(3) . . . . ?
C17 C12 C13 N7 176.7(3) . . . . ?
N13 C12 C13 N7 -6.6(5) . . . . ?
O2 N7 C13 C14 -24.0(5) . . . . ?
O1 N7 C13 C14 156.1(3) . . . . ?
O2 N7 C13 C12 155.6(3) . . . . ?
O1 N7 C13 C12 -24.3(5) . . . . ?
C12 C13 C14 C15 1.7(5) . . . . ?
N7 C13 C14 C15 -178.7(3) . . . . ?
C13 C14 C15 C16 1.8(5) . . . . ?
C13 C14 C15 N8 -176.3(3) . . . . ?
O3 N8 C15 C16 13.7(5) . . . . ?
O4 N8 C15 C16 -165.2(3) . . . . ?
O3 N8 C15 C14 -168.1(3) . . . . ?
O4 N8 C15 C14 13.0(5) . . . . ?
C14 C15 C16 C17 -3.3(5) . . . . ?
N8 C15 C16 C17 174.8(3) . . . . ?
C13 C12 C17 C16 2.2(5) . . . . ?
N13 C12 C17 C16 -174.7(3) . . . . ?
C15 C16 C17 C12 1.3(5) . . . . ?
C11 C7 C18 C19 -33.6(5) . . . . ?
C8 C7 C18 C19 144.0(3) . . . . ?
C11 C7 C18 C22 147.9(3) . . . . ?
C8 C7 C18 C22 -34.6(5) . . . . ?
C22 C18 C19 C20 -2.8(5) . . . . ?
C7 C18 C19 C20 178.6(3) . . . . ?
C21 N14 C20 C19 3.1(5) . . . . ?
C23 N14 C20 C19 -177.9(3) . . . . ?
C18 C19 C20 N14 0.1(5) . . . . ?
C20 N14 C21 C22 -3.5(5) . . . . ?
C23 N14 C21 C22 177.5(3) . . . . ?
N14 C21 C22 C18 0.7(5) . . . . ?
C19 C18 C22 C21 2.4(5) . . . . ?
C7 C18 C22 C21 -179.0(3) . . . . ?
C20 N14 C23 C24 -79.9(4) . . . . ?
C21 N14 C23 C24 99.1(4) . . . . ?
C20 N14 C23 C28 99.5(4) . . . . ?
C21 N14 C23 C28 -81.5(4) . . . . ?
C28 C23 C24 C25 0.5(5) . . . . ?
N14 C23 C24 C25 180.0(3) . . . . ?
C23 C24 C25 C26 -0.4(5) . . . . ?
C24 C25 C26 C27 0.0(5) . . . . ?
C24 C25 C26 N9 179.6(3) . . . . ?
O5 N9 C26 C25 17.5(5) . . . . ?
O6 N9 C26 C25 -163.0(3) . . . . ?
O5 N9 C26 C27 -162.9(3) . . . . ?
O6 N9 C26 C27 16.6(5) . . . . ?
C25 C26 C27 C28 0.1(5) . . . . ?
N9 C26 C27 C28 -179.4(3) . . . . ?
C26 C27 C28 C23 0.0(5) . . . . ?
C26 C27 C28 N10 -179.9(3) . . . . ?
C24 C23 C28 C27 -0.4(5) . . . . ?
N14 C23 C28 C27 -179.8(3) . . . . ?
C24 C23 C28 N10 179.5(3) . . . . ?
N14 C23 C28 N10 0.1(5) . . . . ?
O7 N10 C28 C27 -7.6(5) . . . . ?
O8 N10 C28 C27 171.3(3) . . . . ?
O7 N10 C28 C23 172.6(3) . . . . ?
O8 N10 C28 C23 -8.6(5) . . . . ?
C33 N15 C29 C30 -1.7(5) . . . . ?
C34 N15 C29 C30 -179.7(3) . . . . ?
N15 C29 C30 C31 1.4(6) . . . . ?
C29 C30 C31 C32 0.4(6) . . . . ?
C29 C30 C31 C31 179.4(4) . . . 2_665 ?
C30 C31 C32 C33 -1.9(5) . . . . ?
C31 C31 C32 C33 179.0(4) 2_665 . . . ?
C29 N15 C33 C32 0.1(5) . . . . ?
C34 N15 C33 C32 178.1(3) . . . . ?
C31 C32 C33 N15 1.7(6) . . . . ?
C29 N15 C34 C39 79.9(4) . . . . ?
C33 N15 C34 C39 -98.1(4) . . . . ?
C29 N15 C34 C35 -99.0(4) . . . . ?
C33 N15 C34 C35 83.0(4) . . . . ?
C39 C34 C35 C36 0.4(5) . . . . ?
N15 C34 C35 C36 179.3(3) . . . . ?
C39 C34 C35 N11 178.4(3) . . . . ?
N15 C34 C35 N11 -2.8(5) . . . . ?
O9 N11 C35 C36 170.0(3) . . . . ?
O10 N11 C35 C36 -9.8(5) . . . . ?
O9 N11 C35 C34 -8.0(5) . . . . ?
O10 N11 C35 C34 172.2(4) . . . . ?
C34 C35 C36 C37 0.3(5) . . . . ?
N11 C35 C36 C37 -177.8(3) . . . . ?
C35 C36 C37 C38 -0.1(5) . . . . ?
C35 C36 C37 N12 178.2(3) . . . . ?
O11 N12 C37 C38 163.1(4) . . . . ?
O12 N12 C37 C38 -17.3(5) . . . . ?
O11 N12 C37 C36 -15.3(5) . . . . ?
O12 N12 C37 C36 164.3(3) . . . . ?
C36 C37 C38 C39 -0.7(5) . . . . ?
N12 C37 C38 C39 -179.0(3) . . . . ?
C35 C34 C39 C38 -1.3(5) . . . . ?
N15 C34 C39 C38 179.8(3) . . . . ?
C37 C38 C39 C34 1.4(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H13A N4 0.871(19) 1.97(2) 2.840(5) 173(4) 2_566
O13 H13B N2 0.883(19) 2.08(2) 2.946(5) 169(4) 1_465
O14 H14B N6 0.898(19) 2.13(2) 3.017(6) 172(4) 1_565
O14 H14A O15 0.889(19) 1.91(2) 2.795(4) 179(5) .
O15 H15A O13 0.875(19) 1.96(2) 2.825(4) 172(4) .
O15 H15B N5 0.885(19) 2.08(2) 2.966(5) 175(4) .

_refine_diff_density_max         2.381
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.126

_shelxl_version_number           2013-2

_database_code_depnum_ccdc_archive 'CCDC 996440'
