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

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

data_141206x91
_database_code_depnum_ccdc_archive 'CCDC 1449396'
_audit_update_record             
;
2016-07-30 deposited with the CCDC.
2016-10-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Ag7 I9,C10 H17 N3 O'
_chemical_formula_sum            'C10 H17 Ag7 I9 N3 O'
_chemical_formula_weight         2092.46

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'
I I -0.4742 1.8119 '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/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.4724(4)
_cell_length_b                   13.4637(5)
_cell_length_c                   19.9965(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.523(4)
_cell_angle_gamma                90.00
_cell_volume                     3354.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2832
_cell_measurement_theta_min      3.0700
_cell_measurement_theta_max      26.7250

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.143
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3648
_exptl_absorpt_coefficient_mu    12.294
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7911
_exptl_absorpt_correction_T_max  0.8869
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 16.0710
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16438
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_sigmaI/netI    0.0837
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.54
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6585
_reflns_number_gt                4204
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0829P)²+26.0528P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6585
_refine_ls_number_parameters     275
_refine_ls_number_restraints     199
_refine_ls_R_factor_all          0.1033
_refine_ls_R_factor_gt           0.0655
_refine_ls_wR_factor_ref         0.1958
_refine_ls_wR_factor_gt          0.1624
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.011
_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
Ag1 Ag 0.15557(7) 0.26007(6) 0.11909(4) 0.0681(2) Uani 1 1 d U . .
Ag2 Ag 0.30912(6) 0.46234(6) 0.12533(4) 0.0728(3) Uani 1 1 d U . .
Ag3 Ag 0.46211(6) 0.58303(5) 0.22296(4) 0.0650(2) Uani 1 1 d U . .
Ag4 Ag 0.49577(6) 0.26817(5) 0.28483(4) 0.0615(2) Uani 1 1 d U . .
Ag5 Ag 0.48204(7) 0.42847(6) 0.41012(4) 0.0815(3) Uani 1 1 d U . .
Ag6 Ag 0.41564(8) 0.05575(8) 0.35151(5) 0.0986(3) Uani 1 1 d U . .
Ag7 Ag 0.25016(6) 0.31292(7) 0.25527(4) 0.0788(3) Uani 1 1 d U . .
I1 I 0.11454(5) 0.09855(4) 0.03555(3) 0.05046(16) Uani 1 1 d U . .
I2 I 0.12982(5) 0.43484(4) 0.03866(3) 0.05659(18) Uani 1 1 d U . .
I3 I 0.47308(5) 0.58379(4) 0.08282(3) 0.05664(18) Uani 1 1 d U . .
I4 I 0.47418(4) 0.78191(4) 0.26774(3) 0.04314(14) Uani 1 1 d U . .
I5 I 0.24688(4) 0.52828(4) 0.25914(3) 0.04778(16) Uani 1 1 d U . .
I6 I 0.39543(4) 0.26289(4) 0.14762(3) 0.04037(14) Uani 1 1 d U . .
I7 I 0.60430(4) 0.45442(4) 0.29393(3) 0.04569(15) Uani 1 1 d U . .
I8 I 0.33109(4) 0.26758(4) 0.38495(3) 0.04318(14) Uani 1 1 d U . .
I9 I 0.61505(4) 0.09362(4) 0.30213(3) 0.04955(16) Uani 1 1 d U . .
N1 N 0.5989(4) 0.8485(4) 1.0855(3) 0.0411(15) Uani 1 1 d U . .
N2 N 0.3401(5) 0.7561(4) 0.9588(3) 0.0453(14) Uani 1 1 d DU . .
H2 H 0.3837 0.7157 0.9793 0.054 Uiso 1 1 calc R . .
N3 N 0.2651(5) 0.7156(5) 0.9107(3) 0.0505(15) Uani 1 1 d DU . .
O1 O 0.2961(5) 0.9192(4) 0.9480(3) 0.0651(18) Uani 1 1 d U . .
C1 C 0.5283(5) 0.8241(6) 1.0357(4) 0.0399(17) Uani 1 1 d U . .
H1 H 0.5436 0.7736 1.0058 0.048 Uiso 1 1 calc R . .
C2 C 0.4301(6) 0.8765(6) 1.0293(3) 0.0414(16) Uani 1 1 d U . .
C3 C 0.4113(6) 0.9541(5) 1.0737(4) 0.0455(18) Uani 1 1 d U . .
H3 H 0.3489 0.9918 1.0694 0.055 Uiso 1 1 calc R . .
C4 C 0.4883(7) 0.9735(6) 1.1245(4) 0.0530(19) Uani 1 1 d U . .
H4 H 0.4749 1.0221 1.1561 0.064 Uiso 1 1 calc R . .
C5 C 0.5829(6) 0.9228(6) 1.1290(4) 0.0489(18) Uani 1 1 d U . .
H5 H 0.6355 0.9392 1.1615 0.059 Uiso 1 1 calc R . .
C6 C 0.6959(7) 0.7826(7) 1.0917(5) 0.070(3) Uani 1 1 d U . .
H6A H 0.6998 0.7426 1.0522 0.105 Uiso 1 1 calc R . .
H6B H 0.6907 0.7403 1.1301 0.105 Uiso 1 1 calc R . .
H6C H 0.7593 0.8228 1.0968 0.105 Uiso 1 1 calc R . .
C7 C 0.3479(6) 0.8544(6) 0.9750(4) 0.0449(17) Uani 1 1 d U . .
C8 C 0.2963(10) 0.6063(6) 0.9043(6) 0.084(3) Uani 1 1 d U . .
H8A H 0.3674 0.6017 0.8880 0.126 Uiso 1 1 calc R . .
H8B H 0.2466 0.5736 0.8737 0.126 Uiso 1 1 calc R . .
H8C H 0.2947 0.5749 0.9474 0.126 Uiso 1 1 calc R . .
C9 C 0.2789(7) 0.7627(6) 0.8442(4) 0.0510(17) Uani 1 1 d U . .
H9A H 0.2733 0.8335 0.8484 0.076 Uiso 1 1 calc R . .
H9B H 0.2241 0.7391 0.8129 0.076 Uiso 1 1 calc R . .
H9C H 0.3482 0.7458 0.8285 0.076 Uiso 1 1 calc R . .
C10 C 0.1550(7) 0.7242(7) 0.9320(5) 0.0684(19) Uani 1 1 d U . .
H10A H 0.1538 0.7140 0.9795 0.103 Uiso 1 1 calc R . .
H10B H 0.1110 0.6751 0.9094 0.103 Uiso 1 1 calc R . .
H10C H 0.1279 0.7893 0.9211 0.103 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 I1 2.7760(9) . ?
Ag1 I4 2.8546(10) 2_545 ?
Ag1 I2 2.8602(10) . ?
Ag1 Ag7 3.0051(11) . ?
Ag1 I6 3.0209(10) . ?
Ag1 Ag2 3.3284(11) . ?
Ag2 I3 2.7807(10) . ?
Ag2 I2 2.7930(10) . ?
Ag2 I6 2.9199(9) . ?
Ag2 I5 2.9551(10) . ?
Ag2 Ag3 3.1249(11) . ?
Ag2 Ag6 3.1255(12) 2 ?
Ag3 I3 2.8118(10) . ?
Ag3 I7 2.8171(9) . ?
Ag3 I4 2.8254(9) . ?
Ag3 I5 2.9058(9) . ?
Ag4 I9 2.7948(9) . ?
Ag4 I7 2.8516(9) . ?
Ag4 I8 2.9308(9) . ?
Ag4 I6 2.9659(9) . ?
Ag4 Ag5 3.3170(11) . ?
Ag4 Ag6 3.3277(12) . ?
Ag5 I1 2.8266(10) 2 ?
Ag5 I7 2.8562(11) . ?
Ag5 I8 2.8994(10) . ?
Ag5 I1 2.9647(10) 4_666 ?
Ag6 I9 2.7634(11) . ?
Ag6 I2 2.8115(12) 2_545 ?
Ag6 I5 2.9573(12) 2_545 ?
Ag6 I8 3.1233(11) . ?
Ag6 Ag2 3.1255(12) 2_545 ?
Ag7 I8 2.8081(10) . ?
Ag7 I4 2.8463(9) 2_545 ?
Ag7 I5 2.9009(11) . ?
Ag7 I6 2.9520(10) . ?
I1 Ag5 2.8266(10) 2_545 ?
I1 Ag5 2.9647(10) 4_565 ?
I2 Ag6 2.8115(12) 2 ?
I4 Ag7 2.8463(9) 2 ?
I4 Ag1 2.8546(10) 2 ?
I5 Ag6 2.9573(12) 2 ?
N1 C1 1.342(9) . ?
N1 C5 1.346(10) . ?
N1 C6 1.500(11) . ?
N2 C7 1.365(10) . ?
N2 N3 1.421(8) . ?
N2 H2 0.8600 . ?
N3 C10 1.460(11) . ?
N3 C9 1.489(10) . ?
N3 C8 1.529(11) . ?
O1 C7 1.201(10) . ?
C1 C2 1.414(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.397(11) . ?
C2 C7 1.490(10) . ?
C3 C4 1.391(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.363(12) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
I1 Ag1 I4 117.50(3) . 2_545 ?
I1 Ag1 I2 107.03(3) . . ?
I4 Ag1 I2 107.91(3) 2_545 . ?
I1 Ag1 Ag7 141.76(4) . . ?
I4 Ag1 Ag7 58.05(2) 2_545 . ?
I2 Ag1 Ag7 110.16(3) . . ?
I1 Ag1 I6 106.16(3) . . ?
I4 Ag1 I6 116.12(3) 2_545 . ?
I2 Ag1 I6 100.46(3) . . ?
Ag7 Ag1 I6 58.66(2) . . ?
I1 Ag1 Ag2 138.94(3) . . ?
I4 Ag1 Ag2 103.37(3) 2_545 . ?
I2 Ag1 Ag2 53.00(2) . . ?
Ag7 Ag1 Ag2 64.53(3) . . ?
I6 Ag1 Ag2 54.50(2) . . ?
I3 Ag2 I2 117.89(3) . . ?
I3 Ag2 I6 108.44(3) . . ?
I2 Ag2 I6 104.63(3) . . ?
I3 Ag2 I5 109.04(3) . . ?
I2 Ag2 I5 111.51(3) . . ?
I6 Ag2 I5 104.35(3) . . ?
I3 Ag2 Ag3 56.50(2) . . ?
I2 Ag2 Ag3 155.07(4) . . ?
I6 Ag2 Ag3 99.90(3) . . ?
I5 Ag2 Ag3 57.02(2) . . ?
I3 Ag2 Ag6 119.02(3) . 2 ?
I2 Ag2 Ag6 56.39(3) . 2 ?
I6 Ag2 Ag6 132.41(4) . 2 ?
I5 Ag2 Ag6 58.12(3) . 2 ?
Ag3 Ag2 Ag6 103.01(3) . 2 ?
I3 Ag2 Ag1 154.08(4) . . ?
I2 Ag2 Ag1 54.87(2) . . ?
I6 Ag2 Ag1 57.38(2) . . ?
I5 Ag2 Ag1 96.09(3) . . ?
Ag3 Ag2 Ag1 141.57(3) . . ?
Ag6 Ag2 Ag1 79.42(3) 2 . ?
I3 Ag3 I7 116.56(3) . . ?
I3 Ag3 I4 107.95(3) . . ?
I7 Ag3 I4 113.53(3) . . ?
I3 Ag3 I5 109.58(3) . . ?
I7 Ag3 I5 106.66(3) . . ?
I4 Ag3 I5 101.45(3) . . ?
I3 Ag3 Ag2 55.56(2) . . ?
I7 Ag3 Ag2 110.41(3) . . ?
I4 Ag3 Ag2 135.51(3) . . ?
I5 Ag3 Ag2 58.55(2) . . ?
I9 Ag4 I7 118.88(3) . . ?
I9 Ag4 I8 107.36(3) . . ?
I7 Ag4 I8 107.68(3) . . ?
I9 Ag4 I6 107.16(3) . . ?
I7 Ag4 I6 105.07(3) . . ?
I8 Ag4 I6 110.61(3) . . ?
I9 Ag4 Ag5 119.90(3) . . ?
I7 Ag4 Ag5 54.53(2) . . ?
I8 Ag4 Ag5 54.88(2) . . ?
I6 Ag4 Ag5 132.90(3) . . ?
I9 Ag4 Ag6 52.79(2) . . ?
I7 Ag4 Ag6 151.67(4) . . ?
I8 Ag4 Ag6 59.47(2) . . ?
I6 Ag4 Ag6 103.19(3) . . ?
Ag5 Ag4 Ag6 103.30(3) . . ?
I1 Ag5 I7 117.73(3) 2 . ?
I1 Ag5 I8 112.80(3) 2 . ?
I7 Ag5 I8 108.42(3) . . ?
I1 Ag5 I1 90.31(3) 2 4_666 ?
I7 Ag5 I1 113.92(3) . 4_666 ?
I8 Ag5 I1 112.87(3) . 4_666 ?
I1 Ag5 Ag4 148.70(4) 2 . ?
I7 Ag5 Ag4 54.41(2) . . ?
I8 Ag5 Ag4 55.77(2) . . ?
I1 Ag5 Ag4 120.92(3) 4_666 . ?
I9 Ag6 I2 126.98(4) . 2_545 ?
I9 Ag6 I5 110.72(4) . 2_545 ?
I2 Ag6 I5 110.91(4) 2_545 2_545 ?
I9 Ag6 I8 103.05(3) . . ?
I2 Ag6 I8 106.25(4) 2_545 . ?
I5 Ag6 I8 92.73(3) 2_545 . ?
I9 Ag6 Ag2 162.62(5) . 2_545 ?
I2 Ag6 Ag2 55.82(3) 2_545 2_545 ?
I5 Ag6 Ag2 58.05(3) 2_545 2_545 ?
I8 Ag6 Ag2 91.27(3) . 2_545 ?
I9 Ag6 Ag4 53.66(2) . . ?
I2 Ag6 Ag4 152.26(4) 2_545 . ?
I5 Ag6 Ag4 90.90(3) 2_545 . ?
I8 Ag6 Ag4 53.93(2) . . ?
Ag2 Ag6 Ag4 133.82(4) 2_545 . ?
I8 Ag7 I4 115.36(3) . 2_545 ?
I8 Ag7 I5 101.40(3) . . ?
I4 Ag7 I5 97.82(3) 2_545 . ?
I8 Ag7 I6 114.62(3) . . ?
I4 Ag7 I6 118.63(3) 2_545 . ?
I5 Ag7 I6 104.91(3) . . ?
I8 Ag7 Ag1 153.66(4) . . ?
I4 Ag7 Ag1 58.32(2) 2_545 . ?
I5 Ag7 Ag1 104.79(3) . . ?
I6 Ag7 Ag1 60.94(2) . . ?
Ag1 I1 Ag5 118.28(3) . 2_545 ?
Ag1 I1 Ag5 133.34(3) . 4_565 ?
Ag5 I1 Ag5 89.69(3) 2_545 4_565 ?
Ag2 I2 Ag6 67.79(3) . 2 ?
Ag2 I2 Ag1 72.13(3) . . ?
Ag6 I2 Ag1 93.36(3) 2 . ?
Ag2 I3 Ag3 67.94(3) . . ?
Ag3 I4 Ag7 92.83(3) . 2 ?
Ag3 I4 Ag1 97.44(3) . 2 ?
Ag7 I4 Ag1 63.62(3) 2 2 ?
Ag7 I5 Ag3 103.45(3) . . ?
Ag7 I5 Ag2 70.79(3) . . ?
Ag3 I5 Ag2 64.43(2) . . ?
Ag7 I5 Ag6 96.61(3) . 2 ?
Ag3 I5 Ag6 113.10(3) . 2 ?
Ag2 I5 Ag6 63.83(3) . 2 ?
Ag2 I6 Ag7 70.58(3) . . ?
Ag2 I6 Ag4 104.88(3) . . ?
Ag7 I6 Ag4 64.37(2) . . ?
Ag2 I6 Ag1 68.12(2) . . ?
Ag7 I6 Ag1 60.40(2) . . ?
Ag4 I6 Ag1 123.30(3) . . ?
Ag3 I7 Ag4 102.81(3) . . ?
Ag3 I7 Ag5 97.94(3) . . ?
Ag4 I7 Ag5 71.06(3) . . ?
Ag7 I8 Ag5 101.66(3) . . ?
Ag7 I8 Ag4 66.60(2) . . ?
Ag5 I8 Ag4 69.35(3) . . ?
Ag7 I8 Ag6 96.42(3) . . ?
Ag5 I8 Ag6 119.77(3) . . ?
Ag4 I8 Ag6 66.60(3) . . ?
Ag6 I9 Ag4 73.55(3) . . ?
C1 N1 C5 123.4(6) . . ?
C1 N1 C6 114.7(6) . . ?
C5 N1 C6 121.9(7) . . ?
C7 N2 N3 124.8(6) . . ?
C7 N2 H2 117.6 . . ?
N3 N2 H2 117.6 . . ?
N2 N3 C10 111.8(6) . . ?
N2 N3 C9 110.0(6) . . ?
C10 N3 C9 112.0(6) . . ?
N2 N3 C8 105.2(6) . . ?
C10 N3 C8 110.4(7) . . ?
C9 N3 C8 107.2(6) . . ?
N1 C1 C2 118.8(7) . . ?
N1 C1 H1 120.6 . . ?
C2 C1 H1 120.6 . . ?
C3 C2 C1 119.0(7) . . ?
C3 C2 C7 118.9(7) . . ?
C1 C2 C7 122.0(7) . . ?
C4 C3 C2 118.3(7) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C5 C4 C3 121.4(7) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
N1 C5 C4 118.9(7) . . ?
N1 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O1 C7 N2 124.5(7) . . ?
O1 C7 C2 121.5(7) . . ?
N2 C7 C2 114.0(6) . . ?
N3 C8 H8A 109.5 . . ?
N3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

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
N2 H2 I3 0.86 2.91 3.731(6) 159.7 1_556

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         5.074
_refine_diff_density_min         -2.685
_refine_diff_density_rms         0.345
####################################################################### 
# 
# 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_aa
_database_code_depnum_ccdc_archive 'CCDC 1449398'
_audit_update_record             
;
2016-07-30 deposited with the CCDC.
2016-10-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H17 N3 O,Ag3 I5'
_chemical_formula_sum            'C10 H17 Ag3 I5 N3 O'
_chemical_formula_weight         1153.38

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'
I I -0.4742 1.8119 '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                   11.2079(8)
_cell_length_b                   25.1506(19)
_cell_length_c                   8.4668(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.661(7)
_cell_angle_gamma                90.00
_cell_volume                     2298.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2791
_cell_measurement_theta_min      3.1400
_cell_measurement_theta_max      28.1630

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2048
_exptl_absorpt_coefficient_mu    9.251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7086
_exptl_absorpt_correction_T_max  0.9132
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 16.0710
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10144
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0631
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         2.63
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4510
_reflns_number_gt                3460
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0520P)²+74.7249P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4510
_refine_ls_number_parameters     231
_refine_ls_number_restraints     289
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0727
_refine_ls_wR_factor_ref         0.1752
_refine_ls_wR_factor_gt          0.1605
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.87249(11) 0.14674(5) 0.04681(16) 0.0529(3) Uani 0.90 1 d PU . 1
Ag1' Ag 0.8468(13) 0.1711(6) 0.1771(18) 0.072(3) Uani 0.10 1 d PU . 2
Ag2 Ag 1.04267(17) 0.23483(7) 0.2657(3) 0.0777(6) Uani 0.80 1 d PU . 1
Ag2' Ag 1.1016(8) 0.2211(3) 0.1357(11) 0.086(2) Uani 0.20 1 d PU . 2
Ag3 Ag 1.03324(14) 0.15630(6) 0.61903(16) 0.0608(4) Uani 0.90 1 d PU . 1
Ag3' Ag 0.9870(13) 0.1872(6) 0.7617(18) 0.069(3) Uani 0.10 1 d PU . 2
I1 I 0.63360(8) 0.12225(4) 0.06459(11) 0.0519(3) Uani 1 1 d U . .
I2 I 0.93473(9) 0.08278(4) -0.20114(11) 0.0461(2) Uani 1 1 d U . .
I3 I 0.86054(9) 0.25777(4) -0.04292(10) 0.0458(2) Uani 1 1 d U . .
I4 I 1.08722(8) 0.12458(4) 0.32021(10) 0.0408(2) Uani 1 1 d U . .
I5 I 1.24639(9) 0.19708(4) 0.86131(13) 0.0570(3) Uani 1 1 d U . .
N1 N 0.2634(10) 0.0272(4) 0.8832(12) 0.041(2) Uani 1 1 d U . .
N2 N 0.4321(10) 0.1254(4) 0.6061(13) 0.047(2) Uani 1 1 d DU . .
H2 H 0.4087 0.1375 0.6879 0.057 Uiso 1 1 calc R . .
N3 N 0.5058(10) 0.1572(5) 0.5374(14) 0.052(2) Uani 1 1 d DU . .
O1 O 0.4220(9) 0.0544(4) 0.4293(11) 0.052(2) Uani 1 1 d U . .
C1 C 0.3346(12) 0.0537(5) 0.8049(14) 0.039(2) Uani 1 1 d U . .
H1 H 0.3935 0.0778 0.8621 0.046 Uiso 1 1 calc R . .
C2 C 0.3205(12) 0.0451(5) 0.6390(15) 0.042(2) Uani 1 1 d U . .
C3 C 0.2324(12) 0.0087(5) 0.5566(16) 0.043(2) Uani 1 1 d U . .
H3 H 0.2226 0.0023 0.4456 0.052 Uiso 1 1 calc R . .
C4 C 0.1601(12) -0.0178(6) 0.6374(16) 0.044(2) Uani 1 1 d U . .
H4 H 0.0998 -0.0417 0.5828 0.053 Uiso 1 1 calc R . .
C5 C 0.1793(12) -0.0079(5) 0.8020(15) 0.042(2) Uani 1 1 d U . .
H5 H 0.1321 -0.0262 0.8591 0.051 Uiso 1 1 calc R . .
C6 C 0.2813(15) 0.0383(7) 1.0584(16) 0.057(3) Uani 1 1 d U . .
H6A H 0.3618 0.0537 1.1032 0.085 Uiso 1 1 calc R . .
H6B H 0.2748 0.0058 1.1150 0.085 Uiso 1 1 calc R . .
H6C H 0.2189 0.0628 1.0714 0.085 Uiso 1 1 calc R . .
C7 C 0.3943(13) 0.0741(6) 0.5474(16) 0.047(2) Uani 1 1 d U . .
C8 C 0.4461(14) 0.1710(6) 0.3619(17) 0.054(3) Uani 1 1 d U . .
H8A H 0.4384 0.1395 0.2959 0.082 Uiso 1 1 calc R . .
H8B H 0.4962 0.1966 0.3252 0.082 Uiso 1 1 calc R . .
H8C H 0.3654 0.1857 0.3521 0.082 Uiso 1 1 calc R . .
C9 C 0.6264(14) 0.1308(7) 0.559(2) 0.063(4) Uani 1 1 d U . .
H9A H 0.6597 0.1214 0.6727 0.095 Uiso 1 1 calc R . .
H9B H 0.6824 0.1545 0.5266 0.095 Uiso 1 1 calc R . .
H9C H 0.6157 0.0992 0.4934 0.095 Uiso 1 1 calc R . .
C10 C 0.5283(15) 0.2069(7) 0.6331(19) 0.064(4) Uani 1 1 d U . .
H10A H 0.4517 0.2258 0.6179 0.095 Uiso 1 1 calc R . .
H10B H 0.5862 0.2285 0.5966 0.095 Uiso 1 1 calc R . .
H10C H 0.5616 0.1986 0.7473 0.095 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 I1 2.7908(16) . ?
Ag1 I2 2.8762(17) . ?
Ag1 I3 2.8876(17) . ?
Ag1 I4 2.9074(15) . ?
Ag1 Ag2 3.174(2) . ?
Ag1' I1 2.626(14) . ?
Ag1' I4 2.887(14) . ?
Ag1' I3 2.898(15) . ?
Ag1' I3 2.941(15) 4_566 ?
Ag1' Ag2' 3.224(17) . ?
Ag2 I5 2.793(2) 4_565 ?
Ag2 I4 2.833(2) . ?
Ag2 I3 2.907(2) . ?
Ag2 I3 2.935(2) 4_566 ?
Ag2 Ag3 2.997(2) 4_565 ?
Ag2' I3 2.869(8) . ?
Ag2' I4 2.913(9) . ?
Ag2' Ag3' 2.974(17) 4_565 ?
Ag2' I5 2.975(8) 4_565 ?
Ag2' Ag3' 3.194(17) 1_554 ?
Ag2' I5 3.230(10) 1_554 ?
Ag3 I2 2.8042(18) 1_556 ?
Ag3 I4 2.8688(17) . ?
Ag3 I5 2.8847(17) . ?
Ag3 I3 2.9774(17) 4_566 ?
Ag3 Ag2 2.997(2) 4_566 ?
Ag3' I2 2.729(15) 1_556 ?
Ag3' I5 2.810(14) . ?
Ag3' I3 2.933(14) 4_566 ?
Ag3' Ag2' 2.974(17) 4_566 ?
Ag3' I3 3.026(15) 1_556 ?
Ag3' Ag2' 3.194(17) 1_556 ?
I2 Ag3' 2.729(15) 1_554 ?
I2 Ag3 2.8042(18) 1_554 ?
I3 Ag3' 2.933(14) 4_565 ?
I3 Ag2 2.935(2) 4_565 ?
I3 Ag1' 2.941(15) 4_565 ?
I3 Ag3 2.9774(17) 4_565 ?
I3 Ag3' 3.026(15) 1_554 ?
I5 Ag2 2.793(2) 4_566 ?
I5 Ag2' 2.975(8) 4_566 ?
I5 Ag2' 3.230(10) 1_556 ?
N1 C5 1.337(16) . ?
N1 C1 1.344(17) . ?
N1 C6 1.469(16) . ?
N2 N3 1.384(13) . ?
N2 C7 1.406(17) . ?
N2 H2 0.8600 . ?
N3 C9 1.472(19) . ?
N3 C10 1.47(2) . ?
N3 C8 1.496(17) . ?
O1 C7 1.229(16) . ?
C1 C2 1.387(17) . ?
C1 H1 0.9300 . ?
C2 C3 1.389(18) . ?
C2 C7 1.471(19) . ?
C3 C4 1.367(19) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(18) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
I1 Ag1 I2 109.95(5) . . ?
I1 Ag1 I3 104.51(5) . . ?
I2 Ag1 I3 110.61(5) . . ?
I1 Ag1 I4 120.98(5) . . ?
I2 Ag1 I4 99.33(5) . . ?
I3 Ag1 I4 111.38(5) . . ?
I1 Ag1 Ag2 123.82(6) . . ?
I2 Ag1 Ag2 126.21(6) . . ?
I3 Ag1 Ag2 57.07(4) . . ?
I4 Ag1 Ag2 55.32(4) . . ?
I1 Ag1' I4 128.1(6) . . ?
I1 Ag1' I3 108.7(5) . . ?
I4 Ag1' I3 111.7(5) . . ?
I1 Ag1' I3 114.9(5) . 4_566 ?
I4 Ag1' I3 93.9(4) . 4_566 ?
I3 Ag1' I3 93.5(4) . 4_566 ?
I1 Ag1' Ag2' 152.7(6) . . ?
I4 Ag1' Ag2' 56.6(3) . . ?
I3 Ag1' Ag2' 55.6(3) . . ?
I3 Ag1' Ag2' 89.7(4) 4_566 . ?
I5 Ag2 I4 117.29(7) 4_565 . ?
I5 Ag2 I3 117.36(7) 4_565 . ?
I4 Ag2 I3 113.01(7) . . ?
I5 Ag2 I3 115.92(8) 4_565 4_566 ?
I4 Ag2 I3 95.18(6) . 4_566 ?
I3 Ag2 I3 93.41(6) . 4_566 ?
I5 Ag2 Ag3 59.64(5) 4_565 4_565 ?
I4 Ag2 Ag3 161.22(9) . 4_565 ?
I3 Ag2 Ag3 60.56(5) . 4_565 ?
I3 Ag2 Ag3 102.64(7) 4_566 4_565 ?
I5 Ag2 Ag1 155.86(9) 4_565 . ?
I4 Ag2 Ag1 57.56(4) . . ?
I3 Ag2 Ag1 56.50(5) . . ?
I3 Ag2 Ag1 88.21(6) 4_566 . ?
Ag3 Ag2 Ag1 116.58(7) 4_565 . ?
I3 Ag2' I4 111.7(3) . . ?
I3 Ag2' Ag3' 60.2(3) . 4_565 ?
I4 Ag2' Ag3' 111.2(4) . 4_565 ?
I3 Ag2' I5 112.9(3) . 4_565 ?
I4 Ag2' I5 109.4(3) . 4_565 ?
Ag3' Ag2' I5 56.4(3) 4_565 4_565 ?
I3 Ag2' Ag3' 59.6(3) . 1_554 ?
I4 Ag2' Ag3' 104.1(4) . 1_554 ?
Ag3' Ag2' Ag3' 117.7(5) 4_565 1_554 ?
I5 Ag2' Ag3' 145.5(4) 4_565 1_554 ?
I3 Ag2' Ag1' 56.4(3) . . ?
I4 Ag2' Ag1' 55.8(3) . . ?
Ag3' Ag2' Ag1' 77.4(5) 4_565 . ?
I5 Ag2' Ag1' 123.1(4) 4_565 . ?
Ag3' Ag2' Ag1' 82.7(4) 1_554 . ?
I3 Ag2' I5 105.4(3) . 1_554 ?
I4 Ag2' I5 110.0(3) . 1_554 ?
Ag3' Ag2' I5 138.8(4) 4_565 1_554 ?
I5 Ag2' I5 107.3(3) 4_565 1_554 ?
Ag3' Ag2' I5 51.9(3) 1_554 1_554 ?
Ag1' Ag2' I5 129.6(4) . 1_554 ?
I2 Ag3 I4 120.21(6) 1_556 . ?
I2 Ag3 I5 102.72(5) 1_556 . ?
I4 Ag3 I5 113.25(6) . . ?
I2 Ag3 I3 115.24(6) 1_556 4_566 ?
I4 Ag3 I3 93.51(5) . 4_566 ?
I5 Ag3 I3 112.33(5) . 4_566 ?
I2 Ag3 Ag2 110.64(7) 1_556 4_566 ?
I4 Ag3 Ag2 128.85(7) . 4_566 ?
I5 Ag3 Ag2 56.68(5) . 4_566 ?
I3 Ag3 Ag2 58.22(5) 4_566 4_566 ?
I2 Ag3' I5 106.7(5) 1_556 . ?
I2 Ag3' I3 119.2(5) 1_556 4_566 ?
I5 Ag3' I3 116.0(5) . 4_566 ?
I2 Ag3' Ag2' 156.2(6) 1_556 4_566 ?
I5 Ag3' Ag2' 61.8(3) . 4_566 ?
I3 Ag3' Ag2' 58.1(3) 4_566 4_566 ?
I2 Ag3' I3 110.8(5) 1_556 1_556 ?
I5 Ag3' I3 112.6(5) . 1_556 ?
I3 Ag3' I3 91.0(4) 4_566 1_556 ?
Ag2' Ag3' I3 93.0(5) 4_566 1_556 ?
I2 Ag3' Ag2' 100.6(5) 1_556 1_556 ?
I5 Ag3' Ag2' 64.7(3) . 1_556 ?
I3 Ag3' Ag2' 135.7(5) 4_566 1_556 ?
Ag2' Ag3' Ag2' 93.0(4) 4_566 1_556 ?
I3 Ag3' Ag2' 54.9(3) 1_556 1_556 ?
Ag1' I1 Ag1 28.8(3) . . ?
Ag3' I2 Ag3 34.3(3) 1_554 1_554 ?
Ag3' I2 Ag1 69.4(3) 1_554 . ?
Ag3 I2 Ag1 103.66(5) 1_554 . ?
Ag2' I3 Ag1 65.15(18) . . ?
Ag2' I3 Ag1' 68.0(3) . . ?
Ag1 I3 Ag1' 27.2(3) . . ?
Ag2' I3 Ag2 29.47(19) . . ?
Ag1 I3 Ag2 66.43(5) . . ?
Ag1' I3 Ag2 54.5(3) . . ?
Ag2' I3 Ag3' 61.7(3) . 4_565 ?
Ag1 I3 Ag3' 104.3(3) . 4_565 ?
Ag1' I3 Ag3' 83.5(4) . 4_565 ?
Ag2 I3 Ag3' 41.2(3) . 4_565 ?
Ag2' I3 Ag2 67.37(19) . 4_565 ?
Ag1 I3 Ag2 102.52(5) . 4_565 ?
Ag1' I3 Ag2 124.6(3) . 4_565 ?
Ag2 I3 Ag2 94.85(6) . 4_565 ?
Ag3' I3 Ag2 102.3(3) 4_565 4_565 ?
Ag2' I3 Ag1' 117.2(3) . 4_565 ?
Ag1 I3 Ag1' 142.1(3) . 4_565 ?
Ag1' I3 Ag1' 167.3(4) . 4_565 ?
Ag2 I3 Ag1' 135.8(3) . 4_565 ?
Ag3' I3 Ag1' 109.3(4) 4_565 4_565 ?
Ag2 I3 Ag1' 53.8(3) 4_565 4_565 ?
Ag2' I3 Ag3 65.69(18) . 4_565 ?
Ag1 I3 Ag3 127.06(5) . 4_565 ?
Ag1' I3 Ag3 113.0(3) . 4_565 ?
Ag2 I3 Ag3 61.22(5) . 4_565 ?
Ag3' I3 Ag3 32.1(3) 4_565 4_565 ?
Ag2 I3 Ag3 75.27(5) 4_565 4_565 ?
Ag1' I3 Ag3 79.4(3) 4_565 4_565 ?
Ag2' I3 Ag3' 65.6(3) . 1_554 ?
Ag1 I3 Ag3' 65.3(3) . 1_554 ?
Ag1' I3 Ag3' 91.4(4) . 1_554 ?
Ag2 I3 Ag3' 93.2(3) . 1_554 ?
Ag3' I3 Ag3' 124.8(5) 4_565 1_554 ?
Ag2 I3 Ag3' 40.3(3) 4_565 1_554 ?
Ag1' I3 Ag3' 81.2(4) 4_565 1_554 ?
Ag3 I3 Ag3' 109.6(3) 4_565 1_554 ?
Ag2 I4 Ag3 78.56(6) . . ?
Ag2 I4 Ag1' 55.4(3) . . ?
Ag3 I4 Ag1' 82.1(3) . . ?
Ag2 I4 Ag1 67.11(5) . . ?
Ag3 I4 Ag1 108.82(5) . . ?
Ag1' I4 Ag1 27.1(3) . . ?
Ag2 I4 Ag2' 29.59(19) . . ?
Ag3 I4 Ag2' 107.26(19) . . ?
Ag1' I4 Ag2' 67.5(3) . . ?
Ag1 I4 Ag2' 64.36(16) . . ?
Ag2 I5 Ag3' 43.0(3) 4_566 . ?
Ag2 I5 Ag3 63.68(5) 4_566 . ?
Ag3' I5 Ag3 33.3(3) . . ?
Ag2 I5 Ag2' 29.30(18) 4_566 4_566 ?
Ag3' I5 Ag2' 61.8(3) . 4_566 ?
Ag3 I5 Ag2' 65.54(16) . 4_566 ?
Ag2 I5 Ag2' 64.15(15) 4_566 1_556 ?
Ag3' I5 Ag2' 63.4(3) . 1_556 ?
Ag3 I5 Ag2' 95.59(15) . 1_556 ?
Ag2' I5 Ag2' 92.3(2) 4_566 1_556 ?
C5 N1 C1 120.2(11) . . ?
C5 N1 C6 122.0(12) . . ?
C1 N1 C6 117.8(11) . . ?
N3 N2 C7 122.6(11) . . ?
N3 N2 H2 118.7 . . ?
C7 N2 H2 118.7 . . ?
N2 N3 C9 108.5(11) . . ?
N2 N3 C10 106.9(11) . . ?
C9 N3 C10 107.3(12) . . ?
N2 N3 C8 113.2(10) . . ?
C9 N3 C8 112.3(12) . . ?
C10 N3 C8 108.3(12) . . ?
N1 C1 C2 120.1(12) . . ?
N1 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C1 C2 C3 118.8(12) . . ?
C1 C2 C7 122.0(12) . . ?
C3 C2 C7 119.1(12) . . ?
C4 C3 C2 120.5(12) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 117.9(12) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
N1 C5 C4 122.5(13) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O1 C7 N2 122.7(13) . . ?
O1 C7 C2 122.0(13) . . ?
N2 C7 C2 115.3(12) . . ?
N3 C8 H8A 109.5 . . ?
N3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

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
N2 H2 I5 0.86 3.03 3.832(12) 157.0 1_455

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.356
_refine_diff_density_min         -2.209
_refine_diff_density_rms         0.297
