# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

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

data_mb1
_database_code_depnum_ccdc_archive 'CCDC 1504448'
_audit_update_record             
;
2018-05-06 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H11 Ag Br N3 O3 S'
_chemical_formula_sum            'C12 H11 Ag Br N3 O3 S'
_chemical_formula_weight         465.08

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   8.7498(4)
_cell_length_b                   9.3160(6)
_cell_length_c                   10.2463(6)
_cell_angle_alpha                70.602(6)
_cell_angle_beta                 84.715(4)
_cell_angle_gamma                68.444(6)
_cell_volume                     732.27(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3394
_cell_measurement_theta_min      2.483
_cell_measurement_theta_max      28.123

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.109
_exptl_crystal_F_000             452
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.318
_exptl_crystal_size_min          0.270
_exptl_absorpt_coefficient_mu    4.259
_shelx_estimated_absorpt_T_min   0.301
_shelx_estimated_absorpt_T_max   0.393
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.40750
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'Oxford Diffraction CrysAlis'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Oxford Sapphire CCD'
_diffrn_measurement_method       θ/2θ
_diffrn_detector_area_resol_mean 8.2564
_diffrn_reflns_number            4369
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.483
_diffrn_reflns_theta_max         28.123
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.888
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3185
_reflns_number_gt                2711
_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       'Oxford Diffraction CrysAlis'
_computing_cell_refinement       'Oxford Diffraction CrysAlis'
_computing_data_reduction        'Oxford Diffraction CrysAlis'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'CIFTAB (Sheldrick, 2014)'

_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)+(0.0848P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3185
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0393
_refine_ls_wR_factor_ref         0.1106
_refine_ls_wR_factor_gt          0.1079
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_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 -0.33662(3) 0.84103(4) 0.89065(3) 0.04467(13) Uani 1 1 d . . . . .
N1 N -0.5073(3) 0.8463(4) 0.7466(3) 0.0333(6) Uani 1 1 d . . . . .
C2 C -0.4493(5) 0.7864(5) 0.6423(4) 0.0414(8) Uani 1 1 d . . . . .
H2A H -0.3384 0.7224 0.6458 0.050 Uiso 1 1 calc R U . . .
C3 C -0.5438(5) 0.8141(5) 0.5309(4) 0.0435(9) Uani 1 1 d . . . . .
H3A H -0.4985 0.7694 0.4612 0.052 Uiso 1 1 calc R U . . .
C4 C -0.7077(5) 0.9100(5) 0.5247(4) 0.0411(8) Uani 1 1 d . . . . .
H4A H -0.7747 0.9353 0.4488 0.049 Uiso 1 1 calc R U . . .
C5 C -0.7703(4) 0.9675(4) 0.6336(4) 0.0372(7) Uani 1 1 d . . . . .
H5A H -0.8814 1.0296 0.6327 0.045 Uiso 1 1 calc R U . . .
C6 C -0.6689(4) 0.9334(4) 0.7436(3) 0.0298(6) Uani 1 1 d . . . . .
C7 C -0.7365(4) 0.9922(4) 0.8644(3) 0.0345(7) Uani 1 1 d . . . . .
H7A H -0.6535 0.9394 0.9388 0.052 Uiso 1 1 calc R U . . .
H7B H -0.8306 0.9605 0.8977 0.052 Uiso 1 1 calc R U . . .
C8 C -0.2115(4) 0.8239(4) 1.1723(3) 0.0318(7) Uani 1 1 d . . . . .
H8A H -0.1230 0.7699 1.2421 0.048 Uiso 1 1 calc R U . . .
H8B H -0.3034 0.7903 1.2098 0.048 Uiso 1 1 calc R U . . .
N9 N -0.1561(3) 0.7771(3) 1.0478(3) 0.0297(6) Uani 1 1 d . . . . .
C10 C -0.0011(4) 0.7069(4) 1.0416(3) 0.0317(7) Uani 1 1 d . . . . .
H10A H 0.0638 0.6871 1.1171 0.038 Uiso 1 1 calc R U . . .
C11 C 0.0821(4) 0.6557(4) 0.9276(4) 0.0338(7) Uani 1 1 d . . . . .
S12 S -0.01301(11) 0.68898(12) 0.77475(9) 0.0391(2) Uani 1 1 d . . . . .
C13 C 0.1717(5) 0.5892(4) 0.7146(4) 0.0388(8) Uani 1 1 d . . . . .
Br14 Br 0.17916(6) 0.57532(6) 0.53604(4) 0.05620(16) Uani 1 1 d . . . . .
C15 C 0.2983(5) 0.5340(5) 0.8034(4) 0.0404(8) Uani 1 1 d . . . . .
H15A H 0.4062 0.4773 0.7865 0.049 Uiso 1 1 calc R U . . .
C16 C 0.2481(4) 0.5723(5) 0.9263(4) 0.0386(8) Uani 1 1 d . . . . .
H16A H 0.3204 0.5439 0.9994 0.046 Uiso 1 1 calc R U . . .
N10 N -0.2861(3) 1.1996(4) 0.7844(3) 0.0370(7) Uani 1 1 d . . . . .
O1 O -0.4096(4) 1.1583(4) 0.8009(3) 0.0553(7) Uani 1 1 d . . . . .
O2 O -0.1483(3) 1.0984(4) 0.7806(4) 0.0586(8) Uani 1 1 d . . . . .
O3 O -0.3034(4) 1.3420(4) 0.7731(4) 0.0542(7) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N9 2.141(3) . ?
Ag1 N1 2.172(3) . ?
Ag1 O1 2.628(3) . ?
N1 C2 1.341(4) . ?
N1 C6 1.344(4) . ?
C2 C3 1.369(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.377(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.378(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.378(5) . ?
C5 H5A 0.9300 . ?
C6 C7 1.502(4) . ?
C7 C8 1.521(5) 2_477 ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N9 1.466(4) . ?
C8 C7 1.521(5) 2_477 ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
N9 C10 1.278(4) . ?
C10 C11 1.442(5) . ?
C10 H10A 0.9300 . ?
C11 C16 1.373(5) . ?
C11 S12 1.723(4) . ?
S12 C13 1.717(3) . ?
C13 C15 1.333(6) . ?
C13 Br14 1.870(4) . ?
C15 C16 1.409(5) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
N10 O2 1.235(4) . ?
N10 O3 1.245(4) . ?
N10 O1 1.255(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
N9 Ag1 N1 166.91(11) . . ?
N9 Ag1 O1 98.79(10) . . ?
N1 Ag1 O1 94.30(10) . . ?
C2 N1 C6 117.8(3) . . ?
C2 N1 Ag1 119.7(2) . . ?
C6 N1 Ag1 121.4(2) . . ?
N1 C2 C3 123.8(3) . . ?
N1 C2 H2A 118.1 . . ?
C3 C2 H2A 118.1 . . ?
C2 C3 C4 118.3(3) . . ?
C2 C3 H3A 120.9 . . ?
C4 C3 H3A 120.9 . . ?
C3 C4 C5 118.5(3) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
N1 C6 C5 121.2(3) . . ?
N1 C6 C7 118.1(3) . . ?
C5 C6 C7 120.7(3) . . ?
C6 C7 C8 112.7(3) . 2_477 ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 2_477 . ?
C6 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 2_477 . ?
H7A C7 H7B 107.8 . . ?
N9 C8 C7 109.5(3) . 2_477 ?
N9 C8 H8A 109.8 . . ?
C7 C8 H8A 109.8 2_477 . ?
N9 C8 H8B 109.8 . . ?
C7 C8 H8B 109.8 2_477 . ?
H8A C8 H8B 108.2 . . ?
C10 N9 C8 115.8(3) . . ?
C10 N9 Ag1 126.0(2) . . ?
C8 N9 Ag1 118.2(2) . . ?
N9 C10 C11 125.7(3) . . ?
N9 C10 H10A 117.1 . . ?
C11 C10 H10A 117.1 . . ?
C16 C11 C10 124.7(3) . . ?
C16 C11 S12 110.6(3) . . ?
C10 C11 S12 124.7(3) . . ?
C13 S12 C11 90.68(18) . . ?
C15 C13 S12 113.7(3) . . ?
C15 C13 Br14 127.0(3) . . ?
S12 C13 Br14 119.3(2) . . ?
C13 C15 C16 111.5(3) . . ?
C13 C15 H15A 124.2 . . ?
C16 C15 H15A 124.2 . . ?
C11 C16 C15 113.6(4) . . ?
C11 C16 H16A 123.2 . . ?
C15 C16 H16A 123.2 . . ?
O2 N10 O3 120.6(3) . . ?
O2 N10 O1 119.8(3) . . ?
O3 N10 O1 119.7(3) . . ?
N10 O1 Ag1 113.6(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N1 C2 C3 2.6(6) . . . . ?
Ag1 N1 C2 C3 -165.9(3) . . . . ?
N1 C2 C3 C4 0.5(6) . . . . ?
C2 C3 C4 C5 -2.8(6) . . . . ?
C3 C4 C5 C6 2.0(6) . . . . ?
C2 N1 C6 C5 -3.3(5) . . . . ?
Ag1 N1 C6 C5 164.9(3) . . . . ?
C2 N1 C6 C7 176.3(3) . . . . ?
Ag1 N1 C6 C7 -15.5(4) . . . . ?
C4 C5 C6 N1 1.1(5) . . . . ?
C4 C5 C6 C7 -178.6(3) . . . . ?
N1 C6 C7 C8 110.4(3) . . . 2_477 ?
C5 C6 C7 C8 -69.9(4) . . . 2_477 ?
C7 C8 N9 C10 106.5(3) 2_477 . . . ?
C7 C8 N9 Ag1 -70.7(3) 2_477 . . . ?
C8 N9 C10 C11 -177.5(3) . . . . ?
Ag1 N9 C10 C11 -0.6(5) . . . . ?
N9 C10 C11 C16 -176.2(3) . . . . ?
N9 C10 C11 S12 3.2(5) . . . . ?
C16 C11 S12 C13 0.4(3) . . . . ?
C10 C11 S12 C13 -179.1(3) . . . . ?
C11 S12 C13 C15 -0.1(3) . . . . ?
C11 S12 C13 Br14 -177.8(2) . . . . ?
S12 C13 C15 C16 -0.2(4) . . . . ?
Br14 C13 C15 C16 177.3(3) . . . . ?
C10 C11 C16 C15 178.9(3) . . . . ?
S12 C11 C16 C15 -0.6(4) . . . . ?
C13 C15 C16 C11 0.5(5) . . . . ?
O2 N10 O1 Ag1 15.7(4) . . . . ?
O3 N10 O1 Ag1 -163.8(3) . . . . ?

_refine_diff_density_max         1.055
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.139

_shelxl_version_number           2014-3



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

data_e1146a
_database_code_depnum_ccdc_archive 'CCDC 1834866'
_audit_update_record             
;
2018-04-04 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H28 Ag N4, N O3'
_chemical_formula_sum            'C42 H28 Ag N5 O3'
_chemical_formula_weight         758.56

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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.7674(5)
_cell_length_b                   18.6110(11)
_cell_length_c                   20.4404(10)
_cell_angle_alpha                90
_cell_angle_beta                 94.806(4)
_cell_angle_gamma                90
_cell_volume                     3323.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6555
_cell_measurement_theta_min      1.9904
_cell_measurement_theta_max      28.5319

_exptl_crystal_description       Plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_F_000             1544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.407
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.043
_exptl_absorpt_coefficient_mu    0.657
_shelx_estimated_absorpt_T_min   0.776
_shelx_estimated_absorpt_T_max   0.972
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.408651
_exptl_absorpt_correction_T_max  0.81108
_exptl_absorpt_process_details   'Oxford Diffraction CrysAlis'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Oxford Sapphire CCD'
_diffrn_measurement_method       θ/2θ
_diffrn_detector_area_resol_mean 8.2564
_diffrn_reflns_number            23871
_diffrn_reflns_av_unetI/netI     0.0945
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.189
_diffrn_reflns_theta_max         28.527
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.906
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.906
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7662
_reflns_number_gt                4162
_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       'Oxford Diffraction CrysAlis'
_computing_cell_refinement       'Oxford Diffraction CrysAlis'
_computing_data_reduction        'Oxford Diffraction CrysAlis'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'CIFTAB (Sheldrick, 2014)'

_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)+(0.0240P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7662
_refine_ls_number_parameters     460
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0607
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   0.814
_refine_ls_restrained_S_all      0.814
_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 2.84452(2) 0.19018(2) 0.95647(2) 0.04303(7) Uani 1 1 d . . . . .
C1 C 3.2083(3) 0.34402(15) 0.83368(12) 0.0468(7) Uani 1 1 d . . . . .
H1A H 3.1457 0.3171 0.8040 0.056 Uiso 1 1 calc R U . . .
C1A C 3.1496(3) 0.36785(13) 0.89299(11) 0.0361(6) Uani 1 1 d . . . . .
C2 C 3.3521(3) 0.35953(17) 0.81959(13) 0.0609(9) Uani 1 1 d . . . . .
H2A H 3.3865 0.3435 0.7803 0.073 Uiso 1 1 calc R U . . .
C3 C 3.4510(3) 0.39973(18) 0.86347(15) 0.0668(9) Uani 1 1 d . . . . .
H3A H 3.5498 0.4103 0.8531 0.080 Uiso 1 1 calc R U . . .
C4 C 3.4016(3) 0.42275(16) 0.92073(14) 0.0549(8) Uani 1 1 d . . . . .
H4A H 3.4673 0.4494 0.9494 0.066 Uiso 1 1 calc R U . . .
C4A C 3.2517(3) 0.40718(14) 0.93807(12) 0.0403(7) Uani 1 1 d . . . . .
C5A C 3.0557(3) 0.41204(13) 1.01565(11) 0.0370(6) Uani 1 1 d . . . . .
C5 C 3.0064(3) 0.43262(14) 1.07774(11) 0.0465(7) Uani 1 1 d . . . . .
H5A H 3.0748 0.4558 1.1079 0.056 Uiso 1 1 calc R U . . .
C6 C 2.8636(4) 0.41927(15) 1.09365(12) 0.0506(8) Uani 1 1 d . . . . .
H6A H 2.8345 0.4326 1.1346 0.061 Uiso 1 1 calc R U . . .
C7 C 2.7579(3) 0.38497(14) 1.04807(13) 0.0497(7) Uani 1 1 d . . . . .
H7A H 2.6584 0.3769 1.0589 0.060 Uiso 1 1 calc R U . . .
C8 C 2.7995(3) 0.36364(14) 0.98860(12) 0.0433(7) Uani 1 1 d . . . . .
H8A H 2.7278 0.3412 0.9593 0.052 Uiso 1 1 calc R U . . .
C8A C 2.9502(3) 0.37496(13) 0.97026(11) 0.0336(6) Uani 1 1 d . . . . .
C9 C 3.0000(3) 0.35297(13) 0.90947(11) 0.0338(6) Uani 1 1 d . . . . .
C10 C 3.2007(3) 0.42817(14) 0.99794(12) 0.0417(7) Uani 1 1 d . . . . .
H10A H 3.2667 0.4540 1.0271 0.050 Uiso 1 1 calc R U . . .
C11 C 2.8914(3) 0.31559(14) 0.86188(10) 0.0347(6) Uani 1 1 d . . . . .
N1 N 2.8251(2) 0.25274(11) 0.87070(9) 0.0358(5) Uani 1 1 d . . . . .
C12 C 2.7308(3) 0.23979(13) 0.81334(11) 0.0334(6) Uani 1 1 d . . . . .
C13 C 2.6334(3) 0.18320(15) 0.79571(12) 0.0452(7) Uani 1 1 d . . . . .
H13A H 2.6211 0.1449 0.8241 0.054 Uiso 1 1 calc R U . . .
C14 C 2.5558(3) 0.18596(16) 0.73453(13) 0.0502(7) Uani 1 1 d . . . . .
H14A H 2.4901 0.1485 0.7213 0.060 Uiso 1 1 calc R U . . .
C15 C 2.5723(3) 0.24261(16) 0.69194(12) 0.0497(8) Uani 1 1 d . . . . .
H15A H 2.5179 0.2419 0.6509 0.060 Uiso 1 1 calc R U . . .
C16 C 2.6665(3) 0.29969(15) 0.70842(11) 0.0433(7) Uani 1 1 d . . . . .
H16A H 2.6770 0.3380 0.6800 0.052 Uiso 1 1 calc R U . . .
C17 C 2.7454(3) 0.29678(13) 0.77034(11) 0.0348(6) Uani 1 1 d . . . . .
N2 N 2.8464(2) 0.34419(11) 0.80299(9) 0.0385(5) Uani 1 1 d . . . . .
H2B H 2.8755 0.3848 0.7883 0.046 Uiso 1 1 calc R U . . .
C21 C 2.6552(3) 0.25277(15) 1.16567(12) 0.0471(7) Uani 1 1 d . . . . .
H21A H 2.7461 0.2279 1.1756 0.056 Uiso 1 1 calc R U . . .
C21A C 2.5564(3) 0.23172(13) 1.11028(11) 0.0352(6) Uani 1 1 d . . . . .
C22 C 2.6193(3) 0.30840(17) 1.20420(13) 0.0576(8) Uani 1 1 d . . . . .
H22A H 2.6855 0.3210 1.2403 0.069 Uiso 1 1 calc R U . . .
C23 C 2.4830(4) 0.34729(16) 1.19016(15) 0.0633(9) Uani 1 1 d . . . . .
H23A H 2.4593 0.3852 1.2172 0.076 Uiso 1 1 calc R U . . .
C24 C 2.3866(3) 0.32995(14) 1.13776(15) 0.0539(8) Uani 1 1 d . . . . .
H24A H 2.2969 0.3562 1.1291 0.065 Uiso 1 1 calc R U . . .
C24A C 2.4190(3) 0.27276(14) 1.09558(12) 0.0400(6) Uani 1 1 d . . . . .
C25A C 2.3556(3) 0.20017(14) 0.99792(12) 0.0386(6) Uani 1 1 d . . . . .
C25 C 2.2579(3) 0.18355(17) 0.93998(13) 0.0518(7) Uani 1 1 d . . . . .
H25A H 2.1731 0.2123 0.9284 0.062 Uiso 1 1 calc R U . . .
C26 C 2.2875(3) 0.12721(18) 0.90243(14) 0.0598(9) Uani 1 1 d . . . . .
H26A H 2.2237 0.1176 0.8648 0.072 Uiso 1 1 calc R U . . .
C27 C 2.4130(3) 0.08257(16) 0.91901(13) 0.0539(8) Uani 1 1 d . . . . .
H27A H 2.4296 0.0425 0.8934 0.065 Uiso 1 1 calc R U . . .
C28 C 2.5105(3) 0.09762(14) 0.97231(12) 0.0441(7) Uani 1 1 d . . . . .
H28A H 2.5943 0.0678 0.9823 0.053 Uiso 1 1 calc R U . . .
C28A C 2.4882(3) 0.15742(13) 1.01312(11) 0.0335(6) Uani 1 1 d . . . . .
C29 C 2.5891(3) 0.17507(12) 1.06841(11) 0.0318(6) Uani 1 1 d . . . . .
C30 C 2.3238(3) 0.25564(14) 1.03978(13) 0.0454(7) Uani 1 1 d . . . . .
H30A H 2.2353 0.2825 1.0303 0.054 Uiso 1 1 calc R U . . .
C31 C 2.7300(3) 0.13290(13) 1.08172(11) 0.0324(6) Uani 1 1 d . . . . .
N21 N 2.8470(2) 0.13147(11) 1.04442(9) 0.0355(5) Uani 1 1 d . . . . .
C32 C 2.9562(3) 0.08579(13) 1.07608(11) 0.0341(6) Uani 1 1 d . . . . .
C33 C 3.1000(3) 0.06444(15) 1.05978(12) 0.0489(7) Uani 1 1 d . . . . .
H33A H 3.1386 0.0796 1.0211 0.059 Uiso 1 1 calc R U . . .
C34 C 3.1828(3) 0.02021(16) 1.10299(14) 0.0605(8) Uani 1 1 d . . . . .
H34A H 3.2804 0.0061 1.0937 0.073 Uiso 1 1 calc R U . . .
C35 C 3.1253(3) -0.00408(16) 1.16018(14) 0.0599(8) Uani 1 1 d . . . . .
H35A H 3.1852 -0.0341 1.1882 0.072 Uiso 1 1 calc R U . . .
C36 C 2.9825(3) 0.01500(14) 1.17643(12) 0.0513(8) Uani 1 1 d . . . . .
H36A H 2.9436 -0.0015 1.2146 0.062 Uiso 1 1 calc R U . . .
C37 C 2.8989(3) 0.06018(13) 1.13304(11) 0.0348(6) Uani 1 1 d . . . . .
N22 N 2.7564(2) 0.09130(10) 1.13541(9) 0.0364(5) Uani 1 1 d . . . . .
H22N H 2.6727 0.0787 1.1679 0.044 Uiso 1 1 d R U . . .
N51 N 2.5302(3) 0.01592(14) 1.24250(10) 0.0461(6) Uani 1 1 d . . . . .
O52 O 2.5127(2) 0.07092(11) 1.20743(9) 0.0603(5) Uani 1 1 d . . . . .
O53 O 2.6380(2) -0.02526(11) 1.23648(9) 0.0692(6) Uani 1 1 d . . . . .
O54 O 2.4362(2) 0.00616(11) 1.28355(9) 0.0649(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.0995(19) . ?
Ag1 N21 2.1023(18) . ?
C1 C2 1.348(3) . ?
C1 C1A 1.427(3) . ?
C1 H1A 0.9300 . ?
C1A C9 1.408(3) . ?
C1A C4A 1.431(3) . ?
C2 C3 1.410(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.351(4) . ?
C3 H3A 0.9300 . ?
C4 C4A 1.419(3) . ?
C4 H4A 0.9300 . ?
C4A C10 1.393(3) . ?
C5A C10 1.384(3) . ?
C5A C5 1.427(3) . ?
C5A C8A 1.432(3) . ?
C5 C6 1.342(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.411(4) . ?
C6 H6A 0.9300 . ?
C7 C8 1.357(3) . ?
C7 H7A 0.9300 . ?
C8 C8A 1.419(3) . ?
C8 H8A 0.9300 . ?
C8A C9 1.412(3) . ?
C9 C11 1.477(3) . ?
C10 H10A 0.9300 . ?
C11 N1 1.325(3) . ?
C11 N2 1.345(3) . ?
N1 C12 1.398(3) . ?
C12 C13 1.384(3) . ?
C12 C17 1.390(3) . ?
C13 C14 1.373(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.383(4) . ?
C14 H14A 0.9300 . ?
C15 C16 1.370(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.392(3) . ?
C16 H16A 0.9300 . ?
C17 N2 1.382(3) . ?
N2 H2B 0.8600 . ?
C21 C22 1.354(4) . ?
C21 C21A 1.422(3) . ?
C21 H21A 0.9300 . ?
C21A C29 1.403(3) . ?
C21A C24A 1.437(3) . ?
C22 C23 1.406(4) . ?
C22 H22A 0.9300 . ?
C23 C24 1.347(4) . ?
C23 H23A 0.9300 . ?
C24 C24A 1.413(3) . ?
C24 H24A 0.9300 . ?
C24A C30 1.392(3) . ?
C25A C30 1.384(3) . ?
C25A C28A 1.421(3) . ?
C25A C25 1.436(3) . ?
C25 C26 1.338(4) . ?
C25 H25A 0.9300 . ?
C26 C27 1.397(4) . ?
C26 H26A 0.9300 . ?
C27 C28 1.357(3) . ?
C27 H27A 0.9300 . ?
C28 C28A 1.414(3) . ?
C28 H28A 0.9300 . ?
C28A C29 1.414(3) . ?
C29 C31 1.470(3) . ?
C30 H30A 0.9300 . ?
C31 N21 1.329(3) . ?
C31 N22 1.347(3) . ?
N21 C32 1.398(3) . ?
C32 C33 1.389(3) . ?
C32 C37 1.390(3) . ?
C33 C34 1.370(3) . ?
C33 H33A 0.9300 . ?
C34 C35 1.387(4) . ?
C34 H34A 0.9300 . ?
C35 C36 1.368(3) . ?
C35 H35A 0.9300 . ?
C36 C37 1.387(3) . ?
C36 H36A 0.9300 . ?
C37 N22 1.382(3) . ?
N22 H22N 1.0563 . ?
N51 O53 1.231(3) . ?
N51 O54 1.238(3) . ?
N51 O52 1.252(3) . ?

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 N21 175.27(8) . . ?
C2 C1 C1A 121.7(2) . . ?
C2 C1 H1A 119.2 . . ?
C1A C1 H1A 119.2 . . ?
C9 C1A C1 123.5(2) . . ?
C9 C1A C4A 119.4(2) . . ?
C1 C1A C4A 117.1(2) . . ?
C1 C2 C3 121.0(3) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3A 120.2 . . ?
C2 C3 H3A 120.2 . . ?
C3 C4 C4A 121.5(3) . . ?
C3 C4 H4A 119.3 . . ?
C4A C4 H4A 119.2 . . ?
C10 C4A C4 122.3(2) . . ?
C10 C4A C1A 118.6(2) . . ?
C4 C4A C1A 119.1(2) . . ?
C10 C5A C5 121.9(2) . . ?
C10 C5A C8A 119.6(2) . . ?
C5 C5A C8A 118.6(2) . . ?
C6 C5 C5A 121.6(2) . . ?
C6 C5 H5A 119.2 . . ?
C5A C5 H5A 119.2 . . ?
C5 C6 C7 119.9(2) . . ?
C5 C6 H6A 120.1 . . ?
C7 C6 H6A 120.1 . . ?
C8 C7 C6 120.9(3) . . ?
C8 C7 H7A 119.6 . . ?
C6 C7 H7A 119.6 . . ?
C7 C8 C8A 121.3(2) . . ?
C7 C8 H8A 119.4 . . ?
C8A C8 H8A 119.4 . . ?
C9 C8A C8 123.6(2) . . ?
C9 C8A C5A 118.6(2) . . ?
C8 C8A C5A 117.8(2) . . ?
C1A C9 C8A 121.1(2) . . ?
C1A C9 C11 119.8(2) . . ?
C8A C9 C11 119.1(2) . . ?
C5A C10 C4A 122.6(2) . . ?
C5A C10 H10A 118.7 . . ?
C4A C10 H10A 118.7 . . ?
N1 C11 N2 111.9(2) . . ?
N1 C11 C9 126.3(2) . . ?
N2 C11 C9 121.8(2) . . ?
C11 N1 C12 105.87(19) . . ?
C11 N1 Ag1 126.69(15) . . ?
C12 N1 Ag1 127.27(16) . . ?
C13 C12 C17 120.2(2) . . ?
C13 C12 N1 131.2(2) . . ?
C17 C12 N1 108.6(2) . . ?
C14 C13 C12 117.1(3) . . ?
C14 C13 H13A 121.4 . . ?
C12 C13 H13A 121.4 . . ?
C13 C14 C15 122.1(3) . . ?
C13 C14 H14A 118.9 . . ?
C15 C14 H14A 118.9 . . ?
C16 C15 C14 121.9(2) . . ?
C16 C15 H15A 119.0 . . ?
C14 C15 H15A 119.0 . . ?
C15 C16 C17 115.9(2) . . ?
C15 C16 H16A 122.0 . . ?
C17 C16 H16A 122.0 . . ?
N2 C17 C12 105.7(2) . . ?
N2 C17 C16 131.6(2) . . ?
C12 C17 C16 122.6(2) . . ?
C11 N2 C17 107.9(2) . . ?
C11 N2 H2B 126.0 . . ?
C17 N2 H2B 126.0 . . ?
C22 C21 C21A 121.2(3) . . ?
C22 C21 H21A 119.4 . . ?
C21A C21 H21A 119.4 . . ?
C29 C21A C21 123.4(2) . . ?
C29 C21A C24A 118.9(2) . . ?
C21 C21A C24A 117.7(2) . . ?
C21 C22 C23 120.7(3) . . ?
C21 C22 H22A 119.7 . . ?
C23 C22 H22A 119.7 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
C23 C24 C24A 121.4(3) . . ?
C23 C24 H24A 119.3 . . ?
C24A C24 H24A 119.3 . . ?
C30 C24A C24 122.3(3) . . ?
C30 C24A C21A 118.9(2) . . ?
C24 C24A C21A 118.7(2) . . ?
C30 C25A C28A 119.1(2) . . ?
C30 C25A C25 122.2(3) . . ?
C28A C25A C25 118.7(3) . . ?
C26 C25 C25A 120.7(3) . . ?
C26 C25 H25A 119.6 . . ?
C25A C25 H25A 119.6 . . ?
C25 C26 C27 120.9(3) . . ?
C25 C26 H26A 119.6 . . ?
C27 C26 H26A 119.6 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C27 C28 C28A 121.8(3) . . ?
C27 C28 H28A 119.1 . . ?
C28A C28 H28A 119.1 . . ?
C29 C28A C28 123.1(2) . . ?
C29 C28A C25A 119.3(2) . . ?
C28 C28A C25A 117.6(2) . . ?
C21A C29 C28A 121.1(2) . . ?
C21A C29 C31 120.0(2) . . ?
C28A C29 C31 118.9(2) . . ?
C25A C30 C24A 122.6(2) . . ?
C25A C30 H30A 118.7 . . ?
C24A C30 H30A 118.7 . . ?
N21 C31 N22 111.6(2) . . ?
N21 C31 C29 125.6(2) . . ?
N22 C31 C29 122.8(2) . . ?
C31 N21 C32 106.1(2) . . ?
C31 N21 Ag1 121.80(16) . . ?
C32 N21 Ag1 132.05(16) . . ?
C33 C32 C37 120.1(2) . . ?
C33 C32 N21 131.5(2) . . ?
C37 C32 N21 108.4(2) . . ?
C34 C33 C32 117.4(2) . . ?
C34 C33 H33A 121.3 . . ?
C32 C33 H33A 121.3 . . ?
C33 C34 C35 121.9(3) . . ?
C33 C34 H34A 119.1 . . ?
C35 C34 H34A 119.1 . . ?
C36 C35 C34 121.7(3) . . ?
C36 C35 H35A 119.2 . . ?
C34 C35 H35A 119.2 . . ?
C35 C36 C37 116.6(3) . . ?
C35 C36 H36A 121.7 . . ?
C37 C36 H36A 121.7 . . ?
N22 C37 C36 131.5(2) . . ?
N22 C37 C32 106.1(2) . . ?
C36 C37 C32 122.3(2) . . ?
C31 N22 C37 107.84(19) . . ?
C31 N22 H22N 124.0 . . ?
C37 N22 H22N 127.3 . . ?
O53 N51 O54 122.5(2) . . ?
O53 N51 O52 120.7(2) . . ?
O54 N51 O52 116.8(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
C2 C1 C1A C9 179.8(3) . . . . ?
C2 C1 C1A C4A -1.9(4) . . . . ?
C1A C1 C2 C3 0.5(5) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
C2 C3 C4 C4A 0.2(5) . . . . ?
C3 C4 C4A C10 177.6(3) . . . . ?
C3 C4 C4A C1A -1.7(4) . . . . ?
C9 C1A C4A C10 1.5(4) . . . . ?
C1 C1A C4A C10 -176.8(2) . . . . ?
C9 C1A C4A C4 -179.2(2) . . . . ?
C1 C1A C4A C4 2.5(3) . . . . ?
C10 C5A C5 C6 177.4(3) . . . . ?
C8A C5A C5 C6 -1.3(4) . . . . ?
C5A C5 C6 C7 -0.9(4) . . . . ?
C5 C6 C7 C8 1.5(4) . . . . ?
C6 C7 C8 C8A 0.1(4) . . . . ?
C7 C8 C8A C9 179.1(2) . . . . ?
C7 C8 C8A C5A -2.2(4) . . . . ?
C10 C5A C8A C9 2.8(3) . . . . ?
C5 C5A C8A C9 -178.4(2) . . . . ?
C10 C5A C8A C8 -175.9(2) . . . . ?
C5 C5A C8A C8 2.8(3) . . . . ?
C1 C1A C9 C8A 177.0(2) . . . . ?
C4A C1A C9 C8A -1.3(4) . . . . ?
C1 C1A C9 C11 -4.8(4) . . . . ?
C4A C1A C9 C11 177.0(2) . . . . ?
C8 C8A C9 C1A 177.8(2) . . . . ?
C5A C8A C9 C1A -0.9(3) . . . . ?
C8 C8A C9 C11 -0.4(4) . . . . ?
C5A C8A C9 C11 -179.1(2) . . . . ?
C5 C5A C10 C4A 178.6(2) . . . . ?
C8A C5A C10 C4A -2.7(4) . . . . ?
C4 C4A C10 C5A -178.8(2) . . . . ?
C1A C4A C10 C5A 0.5(4) . . . . ?
C1A C9 C11 N1 119.0(3) . . . . ?
C8A C9 C11 N1 -62.7(3) . . . . ?
C1A C9 C11 N2 -62.1(3) . . . . ?
C8A C9 C11 N2 116.2(3) . . . . ?
N2 C11 N1 C12 0.1(3) . . . . ?
C9 C11 N1 C12 179.1(2) . . . . ?
N2 C11 N1 Ag1 -175.27(15) . . . . ?
C9 C11 N1 Ag1 3.7(3) . . . . ?
C11 N1 C12 C13 -178.9(3) . . . . ?
Ag1 N1 C12 C13 -3.6(4) . . . . ?
C11 N1 C12 C17 0.7(3) . . . . ?
Ag1 N1 C12 C17 176.01(15) . . . . ?
C17 C12 C13 C14 0.9(4) . . . . ?
N1 C12 C13 C14 -179.5(2) . . . . ?
C12 C13 C14 C15 -0.3(4) . . . . ?
C13 C14 C15 C16 -0.4(4) . . . . ?
C14 C15 C16 C17 0.6(4) . . . . ?
C13 C12 C17 N2 178.5(2) . . . . ?
N1 C12 C17 N2 -1.2(3) . . . . ?
C13 C12 C17 C16 -0.8(4) . . . . ?
N1 C12 C17 C16 179.6(2) . . . . ?
C15 C16 C17 N2 -179.0(2) . . . . ?
C15 C16 C17 C12 0.0(4) . . . . ?
N1 C11 N2 C17 -0.8(3) . . . . ?
C9 C11 N2 C17 -179.9(2) . . . . ?
C12 C17 N2 C11 1.2(3) . . . . ?
C16 C17 N2 C11 -179.6(2) . . . . ?
C22 C21 C21A C29 179.2(2) . . . . ?
C22 C21 C21A C24A 1.6(4) . . . . ?
C21A C21 C22 C23 -0.4(4) . . . . ?
C21 C22 C23 C24 -0.5(5) . . . . ?
C22 C23 C24 C24A -0.1(5) . . . . ?
C23 C24 C24A C30 -177.5(3) . . . . ?
C23 C24 C24A C21A 1.3(4) . . . . ?
C29 C21A C24A C30 -0.9(4) . . . . ?
C21 C21A C24A C30 176.9(2) . . . . ?
C29 C21A C24A C24 -179.8(2) . . . . ?
C21 C21A C24A C24 -2.1(3) . . . . ?
C30 C25A C25 C26 -176.4(3) . . . . ?
C28A C25A C25 C26 2.7(4) . . . . ?
C25A C25 C26 C27 0.8(4) . . . . ?
C25 C26 C27 C28 -2.7(4) . . . . ?
C26 C27 C28 C28A 1.0(4) . . . . ?
C27 C28 C28A C29 -179.0(2) . . . . ?
C27 C28 C28A C25A 2.4(4) . . . . ?
C30 C25A C28A C29 -3.7(3) . . . . ?
C25 C25A C28A C29 177.2(2) . . . . ?
C30 C25A C28A C28 174.9(2) . . . . ?
C25 C25A C28A C28 -4.2(3) . . . . ?
C21 C21A C29 C28A -178.6(2) . . . . ?
C24A C21A C29 C28A -1.0(3) . . . . ?
C21 C21A C29 C31 1.5(4) . . . . ?
C24A C21A C29 C31 179.1(2) . . . . ?
C28 C28A C29 C21A -175.2(2) . . . . ?
C25A C28A C29 C21A 3.3(3) . . . . ?
C28 C28A C29 C31 4.7(3) . . . . ?
C25A C28A C29 C31 -176.8(2) . . . . ?
C28A C25A C30 C24A 1.8(4) . . . . ?
C25 C25A C30 C24A -179.1(2) . . . . ?
C24 C24A C30 C25A 179.3(2) . . . . ?
C21A C24A C30 C25A 0.5(4) . . . . ?
C21A C29 C31 N21 -113.5(3) . . . . ?
C28A C29 C31 N21 66.6(3) . . . . ?
C21A C29 C31 N22 65.1(3) . . . . ?
C28A C29 C31 N22 -114.8(3) . . . . ?
N22 C31 N21 C32 0.1(3) . . . . ?
C29 C31 N21 C32 178.9(2) . . . . ?
N22 C31 N21 Ag1 179.85(14) . . . . ?
C29 C31 N21 Ag1 -1.4(3) . . . . ?
C31 N21 C32 C33 -179.9(3) . . . . ?
Ag1 N21 C32 C33 0.4(4) . . . . ?
C31 N21 C32 C37 0.3(3) . . . . ?
Ag1 N21 C32 C37 -179.39(16) . . . . ?
C37 C32 C33 C34 -2.5(4) . . . . ?
N21 C32 C33 C34 177.8(3) . . . . ?
C32 C33 C34 C35 1.5(4) . . . . ?
C33 C34 C35 C36 -0.1(5) . . . . ?
C34 C35 C36 C37 -0.4(4) . . . . ?
C35 C36 C37 N22 -177.4(3) . . . . ?
C35 C36 C37 C32 -0.6(4) . . . . ?
C33 C32 C37 N22 179.6(2) . . . . ?
N21 C32 C37 N22 -0.6(3) . . . . ?
C33 C32 C37 C36 2.1(4) . . . . ?
N21 C32 C37 C36 -178.1(2) . . . . ?
N21 C31 N22 C37 -0.5(3) . . . . ?
C29 C31 N22 C37 -179.3(2) . . . . ?
C36 C37 N22 C31 177.8(3) . . . . ?
C32 C37 N22 C31 0.7(3) . . . . ?

_refine_diff_density_max         0.257
_refine_diff_density_min         -0.354
_refine_diff_density_rms         0.058

_shelxl_version_number           2014-3



