# 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 2015

####################################################################### 
# 
# 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_complex2
_database_code_depnum_ccdc_archive 'CCDC 1411662'

_audit_update_record             
;
2015-11-04 deposited with the CCDC.
2015-11-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C16 H24 Ag2 N8 O4, 2(C8 H12 Ag N4 O2), 4(Cl O4)'
_chemical_formula_sum            'C32 H48 Ag4 Cl4 N16 O24'
_chemical_formula_weight         1614.14

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_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                   10.6600(2)
_cell_length_b                   10.7580(2)
_cell_length_c                   13.6855(3)
_cell_angle_alpha                106.201(2)
_cell_angle_beta                 95.799(2)
_cell_angle_gamma                119.067(2)
_cell_volume                     1263.90(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13559
_cell_measurement_theta_min      2.2370
_cell_measurement_theta_max      36.1760

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.121
_exptl_crystal_F_000             800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    1.839
_shelx_estimated_absorpt_T_min   0.745
_shelx_estimated_absorpt_T_max   0.930
_exptl_absorpt_correction_T_min  0.58945
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4498
_diffrn_reflns_number            16910
_diffrn_reflns_av_unetI/netI     0.0133
_diffrn_reflns_av_R_equivalents  0.0138
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.220
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7321
_reflns_number_gt                7007
_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       'CrysAlisPro (Agilent Technologies)'
_computing_cell_refinement       'CrysAlisPro (Agilent Technologies)'
_computing_data_reduction        'CrysAlisPro (Agilent Technologies)'
_computing_structure_solution    
;
Sheldrick, G. M. (2015). Acta Cryst. A71, 3--8.
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics    
; 
C. F. Macrae, I. J. Bruno, J. A. Chisholm, P. R. Edgington, P. McCabe, E.
Pidcock, L. Rodriguez-Monge, R. Taylor, J. van de Streek and P. A. Wood
(2008). J. Appl. Cryst. 41, 466--470.
A. L. Spek (2009). Acta Cryst. D65, 148--155.
;
_computing_publication_material  
;
Sheldrick, G. M. (2015). Acta Cryst. C71, 3--8.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920--925.
;


_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)+(0.0225P)²+0.6374P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2015)'
_refine_ls_extinction_coef       0.0065(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7321
_refine_ls_number_parameters     394
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0179
_refine_ls_R_factor_gt           0.0169
_refine_ls_wR_factor_ref         0.0463
_refine_ls_wR_factor_gt          0.0456
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.005
_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 0.45432(2) 0.07893(2) 0.43142(2) 0.01351(3) Uani 1 1 d . . . . .
O1 O 0.47351(11) -0.23189(11) 0.25009(8) 0.01852(18) Uani 1 1 d . . . . .
O2 O 0.71914(10) 0.01410(10) 0.42280(8) 0.01776(18) Uani 1 1 d . . . . .
N1 N 0.26097(12) -0.11346(12) 0.31508(8) 0.01377(19) Uani 1 1 d . . . . .
N2 N 0.02816(12) -0.28723(13) 0.22102(9) 0.0176(2) Uani 1 1 d . . . . .
N3 N 0.66941(11) 0.27062(12) 0.51674(8) 0.01271(18) Uani 1 1 d . . . . .
N4 N 0.85802(12) 0.48640(12) 0.63837(9) 0.01448(19) Uani 1 1 d . . . . .
C1 C 0.26047(14) -0.20447(14) 0.22060(10) 0.0147(2) Uani 1 1 d . . . . .
C2 C 0.11567(14) -0.31289(14) 0.16184(10) 0.0176(2) Uani 1 1 d . . . . .
H2 H 0.0823 -0.3904 0.0937 0.021 Uiso 1 1 calc R U . . .
C3 C 0.11914(13) -0.16700(14) 0.31257(10) 0.0155(2) Uani 1 1 d . . . . .
H3 H 0.0861 -0.1263 0.3676 0.019 Uiso 1 1 calc R U . . .
C4 C 0.40068(14) -0.17962(15) 0.19368(10) 0.0173(2) Uani 1 1 d . . . . .
H41 H 0.3768 -0.2345 0.1165 0.021 Uiso 1 1 calc R U . . .
H42 H 0.4703 -0.0687 0.2103 0.021 Uiso 1 1 calc R U . . .
C5 C 0.80186(13) 0.28203(14) 0.50442(10) 0.0127(2) Uani 1 1 d . . . . .
C6 C 0.91890(13) 0.41537(14) 0.57987(10) 0.0135(2) Uani 1 1 d . . . . .
H6 H 1.0221 0.4521 0.5901 0.016 Uiso 1 1 calc R U . . .
C7 C 0.70852(13) 0.39604(14) 0.59812(10) 0.0148(2) Uani 1 1 d . . . . .
H7 H 0.6401 0.4190 0.6245 0.018 Uiso 1 1 calc R U . . .
C8 C 0.80434(15) 0.16399(14) 0.41773(11) 0.0177(2) Uani 1 1 d . . . . .
H8A H 0.7623 0.1603 0.3483 0.021 Uiso 1 1 calc R U . . .
H8B H 0.9091 0.1932 0.4234 0.021 Uiso 1 1 calc R U . . .
H1A H 0.540(2) -0.159(2) 0.3025(17) 0.031(5) Uiso 1 1 d . . . . .
H2A H 0.772(2) -0.016(2) 0.4299(17) 0.035(6) Uiso 1 1 d . . . . .
H20 H -0.069(2) -0.340(2) 0.2034(15) 0.023(4) Uiso 1 1 d . . . . .
H40 H 0.906(2) 0.576(2) 0.6856(15) 0.022(4) Uiso 1 1 d . . . . .
Ag2 Ag 1.04367(2) 0.91783(2) 0.07726(2) 0.01296(3) Uani 1 1 d . . . . .
O3 O 1.05779(11) 1.21103(11) 0.25262(8) 0.01734(18) Uani 1 1 d . . . . .
O4 O 0.79474(11) 0.92891(11) 0.18802(8) 0.0219(2) Uani 1 1 d . . . . .
N5 N 1.25443(11) 1.09368(12) 0.18229(8) 0.01299(18) Uani 1 1 d . . . . .
N6 N 1.49654(12) 1.25361(13) 0.25404(9) 0.0169(2) Uani 1 1 d . . . . .
N7 N 0.82291(11) 0.74521(12) -0.01122(8) 0.01289(18) Uani 1 1 d . . . . .
N8 N 0.62203(12) 0.53015(13) -0.12301(9) 0.0156(2) Uani 1 1 d . . . . .
C9 C 1.27897(13) 1.20028(14) 0.27891(10) 0.0137(2) Uani 1 1 d . . . . .
C10 C 1.42940(14) 1.30032(14) 0.32368(10) 0.0171(2) Uani 1 1 d . . . . .
H10 H 1.4780 1.3851 0.3896 0.020 Uiso 1 1 calc R U . . .
C11 C 1.38783(13) 1.12967(14) 0.17006(10) 0.0150(2) Uani 1 1 d . . . . .
H11 H 1.4047 1.0757 0.1104 0.018 Uiso 1 1 calc R U . . .
C12 C 1.15404(14) 1.19435(15) 0.32179(10) 0.0169(2) Uani 1 1 d . . . . .
H12A H 1.0953 1.0951 0.3303 0.020 Uiso 1 1 calc R U . . .
H12B H 1.1955 1.2776 0.3926 0.020 Uiso 1 1 calc R U . . .
C13 C 0.69783(13) 0.74816(14) 0.00481(10) 0.0129(2) Uani 1 1 d . . . . .
C14 C 0.57258(13) 0.61456(14) -0.06454(10) 0.0139(2) Uani 1 1 d . . . . .
H14 H 0.4717 0.5858 -0.0710 0.017 Uiso 1 1 calc R U . . .
C15 C 0.77224(14) 0.61182(15) -0.08856(10) 0.0158(2) Uani 1 1 d . . . . .
H15 H 0.8337 0.5784 -0.1160 0.019 Uiso 1 1 calc R U . . .
C16 C 0.71103(14) 0.88488(15) 0.08253(11) 0.0178(2) Uani 1 1 d . . . . .
H16A H 0.7601 0.9721 0.0592 0.021 Uiso 1 1 calc R U . . .
H16B H 0.6095 0.8625 0.0832 0.021 Uiso 1 1 calc R U . . .
H3A H 0.980(3) 1.138(3) 0.232(2) 0.046(7) Uiso 1 1 d . . . . .
H4A H 0.761(3) 0.858(3) 0.2052(18) 0.042(6) Uiso 1 1 d . . . . .
H60 H 1.588(2) 1.296(2) 0.2618(16) 0.033(5) Uiso 1 1 d . . . . .
H80 H 0.567(2) 0.437(2) -0.1714(15) 0.020(4) Uiso 1 1 d . . . . .
Cl1 Cl 0.74605(3) 0.69937(3) 0.37454(2) 0.01425(6) Uani 1 1 d . . . . .
O5 O 0.61403(11) 0.68157(12) 0.40329(9) 0.0223(2) Uani 1 1 d . . . . .
O6 O 0.87013(10) 0.85626(11) 0.43328(9) 0.0223(2) Uani 1 1 d . . . . .
O7 O 0.77911(11) 0.59521(12) 0.39908(9) 0.0237(2) Uani 1 1 d . . . . .
O8 O 0.72370(12) 0.66917(13) 0.26197(8) 0.0252(2) Uani 1 1 d . . . . .
Cl2 Cl 0.77493(3) 0.29439(3) 0.10896(2) 0.01341(6) Uani 1 1 d . . . . .
O9 O 0.77025(11) 0.41217(11) 0.08066(9) 0.0234(2) Uani 1 1 d . . . . .
O10 O 0.78923(12) 0.32966(14) 0.22121(8) 0.0261(2) Uani 1 1 d . . . . .
O11 O 0.90200(11) 0.28966(12) 0.08664(9) 0.0231(2) Uani 1 1 d . . . . .
O12 O 0.63902(11) 0.14845(11) 0.04888(8) 0.02050(19) 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 N3 2.0963(10) . ?
Ag1 N1 2.1024(11) . ?
Ag1 Ag1 3.22054(19) 2_656 ?
O1 C4 1.4354(15) . ?
O1 H1A 0.82(2) . ?
O2 C8 1.4429(15) . ?
O2 H2A 0.79(2) . ?
N1 C3 1.3233(16) . ?
N1 C1 1.3846(16) . ?
N2 C3 1.3471(16) . ?
N2 C2 1.3712(18) . ?
N2 H20 0.865(19) . ?
N3 C7 1.3251(16) . ?
N3 C5 1.3885(15) . ?
N4 C7 1.3441(15) . ?
N4 C6 1.3753(15) . ?
N4 H40 0.85(2) . ?
C1 C2 1.3660(17) . ?
C1 C4 1.4897(17) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 H41 0.9900 . ?
C4 H42 0.9900 . ?
C5 C6 1.3619(16) . ?
C5 C8 1.4897(17) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
Ag2 N7 2.0919(10) . ?
Ag2 N5 2.0959(10) . ?
O3 C12 1.4347(16) . ?
O3 H3A 0.76(3) . ?
O4 C16 1.4325(16) . ?
O4 H4A 0.79(2) . ?
N5 C11 1.3227(15) . ?
N5 C9 1.3873(15) . ?
N6 C11 1.3476(16) . ?
N6 C10 1.3758(17) . ?
N6 H60 0.83(2) . ?
N7 C15 1.3248(16) . ?
N7 C13 1.3869(15) . ?
N8 C15 1.3445(16) . ?
N8 C14 1.3739(16) . ?
N8 H80 0.877(19) . ?
C9 C10 1.3645(17) . ?
C9 C12 1.4894(17) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.3665(16) . ?
C13 C16 1.4866(17) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
Cl1 O7 1.4361(10) . ?
Cl1 O5 1.4368(10) . ?
Cl1 O6 1.4503(10) . ?
Cl1 O8 1.4515(11) . ?
Cl2 O12 1.4383(9) . ?
Cl2 O11 1.4397(10) . ?
Cl2 O9 1.4454(10) . ?
Cl2 O10 1.4486(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ag1 N1 166.21(4) . . ?
N3 Ag1 Ag1 83.52(3) . 2_656 ?
N1 Ag1 Ag1 101.29(3) . 2_656 ?
C4 O1 H1A 109.7(14) . . ?
C8 O2 H2A 109.1(16) . . ?
C3 N1 C1 106.45(10) . . ?
C3 N1 Ag1 128.71(9) . . ?
C1 N1 Ag1 124.73(8) . . ?
C3 N2 C2 108.08(11) . . ?
C3 N2 H20 125.9(13) . . ?
C2 N2 H20 126.0(13) . . ?
C7 N3 C5 106.10(10) . . ?
C7 N3 Ag1 128.53(8) . . ?
C5 N3 Ag1 125.06(8) . . ?
C7 N4 C6 107.73(10) . . ?
C7 N4 H40 125.4(13) . . ?
C6 N4 H40 126.4(13) . . ?
C2 C1 N1 108.82(11) . . ?
C2 C1 C4 128.65(12) . . ?
N1 C1 C4 122.53(11) . . ?
C1 C2 N2 106.15(11) . . ?
C1 C2 H2 126.9 . . ?
N2 C2 H2 126.9 . . ?
N1 C3 N2 110.50(12) . . ?
N1 C3 H3 124.8 . . ?
N2 C3 H3 124.8 . . ?
O1 C4 C1 112.84(11) . . ?
O1 C4 H41 109.0 . . ?
C1 C4 H41 109.0 . . ?
O1 C4 H42 109.0 . . ?
C1 C4 H42 109.0 . . ?
H41 C4 H42 107.8 . . ?
C6 C5 N3 108.86(10) . . ?
C6 C5 C8 128.93(11) . . ?
N3 C5 C8 122.18(11) . . ?
C5 C6 N4 106.39(10) . . ?
C5 C6 H6 126.8 . . ?
N4 C6 H6 126.8 . . ?
N3 C7 N4 110.92(11) . . ?
N3 C7 H7 124.5 . . ?
N4 C7 H7 124.5 . . ?
O2 C8 C5 111.38(10) . . ?
O2 C8 H8A 109.4 . . ?
C5 C8 H8A 109.4 . . ?
O2 C8 H8B 109.4 . . ?
C5 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
N7 Ag2 N5 172.87(4) . . ?
C12 O3 H3A 109.0(18) . . ?
C16 O4 H4A 109.6(16) . . ?
C11 N5 C9 106.52(10) . . ?
C11 N5 Ag2 128.40(9) . . ?
C9 N5 Ag2 125.04(8) . . ?
C11 N6 C10 107.99(11) . . ?
C11 N6 H60 126.0(15) . . ?
C10 N6 H60 126.0(15) . . ?
C15 N7 C13 106.19(10) . . ?
C15 N7 Ag2 128.86(8) . . ?
C13 N7 Ag2 124.90(8) . . ?
C15 N8 C14 107.98(10) . . ?
C15 N8 H80 124.9(12) . . ?
C14 N8 H80 127.0(12) . . ?
C10 C9 N5 108.80(11) . . ?
C10 C9 C12 128.92(12) . . ?
N5 C9 C12 122.26(11) . . ?
C9 C10 N6 106.16(11) . . ?
C9 C10 H10 126.9 . . ?
N6 C10 H10 126.9 . . ?
N5 C11 N6 110.53(11) . . ?
N5 C11 H11 124.7 . . ?
N6 C11 H11 124.7 . . ?
O3 C12 C9 111.15(10) . . ?
O3 C12 H12A 109.4 . . ?
C9 C12 H12A 109.4 . . ?
O3 C12 H12B 109.4 . . ?
C9 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 N7 108.90(11) . . ?
C14 C13 C16 129.28(11) . . ?
N7 C13 C16 121.71(10) . . ?
C13 C14 N8 106.12(10) . . ?
C13 C14 H14 126.9 . . ?
N8 C14 H14 126.9 . . ?
N7 C15 N8 110.81(11) . . ?
N7 C15 H15 124.6 . . ?
N8 C15 H15 124.6 . . ?
O4 C16 C13 113.18(11) . . ?
O4 C16 H16A 108.9 . . ?
C13 C16 H16A 108.9 . . ?
O4 C16 H16B 108.9 . . ?
C13 C16 H16B 108.9 . . ?
H16A C16 H16B 107.8 . . ?
O7 Cl1 O5 110.07(6) . . ?
O7 Cl1 O6 109.77(6) . . ?
O5 Cl1 O6 108.81(6) . . ?
O7 Cl1 O8 109.61(7) . . ?
O5 Cl1 O8 109.88(7) . . ?
O6 Cl1 O8 108.68(7) . . ?
O12 Cl2 O11 110.10(6) . . ?
O12 Cl2 O9 109.23(6) . . ?
O11 Cl2 O9 109.51(7) . . ?
O12 Cl2 O10 109.59(6) . . ?
O11 Cl2 O10 109.01(6) . . ?
O9 Cl2 O10 109.38(7) . . ?

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
C3 N1 C1 C2 0.11(14) . . . . ?
Ag1 N1 C1 C2 -176.42(8) . . . . ?
C3 N1 C1 C4 179.92(11) . . . . ?
Ag1 N1 C1 C4 3.39(16) . . . . ?
N1 C1 C2 N2 0.07(14) . . . . ?
C4 C1 C2 N2 -179.72(12) . . . . ?
C3 N2 C2 C1 -0.22(14) . . . . ?
C1 N1 C3 N2 -0.25(14) . . . . ?
Ag1 N1 C3 N2 176.09(8) . . . . ?
C2 N2 C3 N1 0.30(15) . . . . ?
C2 C1 C4 O1 -104.82(15) . . . . ?
N1 C1 C4 O1 75.41(15) . . . . ?
C7 N3 C5 C6 0.24(14) . . . . ?
Ag1 N3 C5 C6 -173.84(8) . . . . ?
C7 N3 C5 C8 -177.86(11) . . . . ?
Ag1 N3 C5 C8 8.06(16) . . . . ?
N3 C5 C6 N4 -0.29(14) . . . . ?
C8 C5 C6 N4 177.64(12) . . . . ?
C7 N4 C6 C5 0.23(14) . . . . ?
C5 N3 C7 N4 -0.09(14) . . . . ?
Ag1 N3 C7 N4 173.71(8) . . . . ?
C6 N4 C7 N3 -0.09(15) . . . . ?
C6 C5 C8 O2 123.78(14) . . . . ?
N3 C5 C8 O2 -58.53(16) . . . . ?
C11 N5 C9 C10 0.11(14) . . . . ?
Ag2 N5 C9 C10 -177.76(8) . . . . ?
C11 N5 C9 C12 -178.27(11) . . . . ?
Ag2 N5 C9 C12 3.85(16) . . . . ?
N5 C9 C10 N6 -0.33(14) . . . . ?
C12 C9 C10 N6 177.92(12) . . . . ?
C11 N6 C10 C9 0.42(14) . . . . ?
C9 N5 C11 N6 0.16(14) . . . . ?
Ag2 N5 C11 N6 177.94(8) . . . . ?
C10 N6 C11 N5 -0.36(15) . . . . ?
C10 C9 C12 O3 120.51(14) . . . . ?
N5 C9 C12 O3 -61.45(15) . . . . ?
C15 N7 C13 C14 -0.19(14) . . . . ?
Ag2 N7 C13 C14 -177.76(8) . . . . ?
C15 N7 C13 C16 -176.75(12) . . . . ?
Ag2 N7 C13 C16 5.67(16) . . . . ?
N7 C13 C14 N8 -0.03(14) . . . . ?
C16 C13 C14 N8 176.19(12) . . . . ?
C15 N8 C14 C13 0.24(14) . . . . ?
C13 N7 C15 N8 0.34(15) . . . . ?
Ag2 N7 C15 N8 177.79(8) . . . . ?
C14 N8 C15 N7 -0.37(15) . . . . ?
C14 C13 C16 O4 127.07(14) . . . . ?
N7 C13 C16 O4 -57.14(16) . . . . ?

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
O2 H2A O6 0.79(2) 2.10(2) 2.8704(14) 168(2) 1_545
N2 H20 O8 0.865(19) 2.468(19) 3.1785(16) 139.9(16) 1_445
N2 H20 O9 0.865(19) 2.311(19) 2.9213(15) 127.7(16) 1_445
N4 H40 O3 0.85(2) 2.02(2) 2.7943(14) 151.1(17) 2_776
O1 H1A O2 0.82(2) 2.01(2) 2.8234(13) 173(2) .
O3 H3A O4 0.76(3) 2.00(3) 2.7547(14) 169(3) .
O4 H4A O8 0.79(2) 2.25(2) 3.0138(16) 165(2) .
N6 H60 O10 0.83(2) 2.15(2) 2.9350(15) 157(2) 1_665
N8 H80 O1 0.877(19) 1.966(19) 2.7767(14) 153.2(17) 2_655

_refine_diff_density_max         0.605
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.078

####################################################################### 
# 
# 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_complex3
_database_code_depnum_ccdc_archive 'CCDC 1411663'
_audit_update_record             
;
2015-11-04 deposited with the CCDC.
2015-11-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H24 Ag2 N8 O4, 2(C2 F3 O2)'
_chemical_formula_sum            'C20 H24 Ag2 F6 N8 O8'
_chemical_formula_weight         834.21

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

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

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

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

_cell_length_a                   7.7766(2)
_cell_length_b                   15.2479(3)
_cell_length_c                   11.6266(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.599(2)
_cell_angle_gamma                90
_cell_volume                     1366.54(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13969
_cell_measurement_theta_min      2.9520
_cell_measurement_theta_max      36.7530

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.027
_exptl_crystal_F_000             824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    1.535
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.86282
_exptl_absorpt_correction_T_max  0.96621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Agilent Technologies'

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            15057
_diffrn_reflns_av_unetI/netI     0.0080
_diffrn_reflns_av_R_equivalents  0.0138
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.215
_diffrn_reflns_theta_max         26.988
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             2983
_reflns_number_gt                2950
_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       'CrysAlisPro (Agilent Technologies)'
_computing_cell_refinement       'CrysAlisPro (Agilent Technologies)'
_computing_data_reduction        'CrysAlisPro (Agilent Technologies)'
_computing_structure_solution    
;
Sheldrick, G. M. (2015). Acta Cryst. A71, 3--8.
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics    
; 
C. F. Macrae, I. J. Bruno, J. A. Chisholm, P. R. Edgington, P. McCabe, E.
Pidcock, L. Rodriguez-Monge, R. Taylor, J. van de Streek and P. A. Wood
(2008). J. Appl. Cryst. 41, 466--470.
A. L. Spek (2009). Acta Cryst. D65, 148--155.
;
_computing_publication_material  
;
Sheldrick, G. M. (2015). Acta Cryst. C71, 3--8.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920--925.
;

_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)+(0.0241P)²+3.6007P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2983
_refine_ls_number_parameters     219
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0667
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.141
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.68819(2) 0.50145(2) 0.45817(2) 0.01452(8) Uani 1 1 d . . . . .
O1 O 0.8357(3) 0.61691(13) 0.73147(16) 0.0166(4) Uani 1 1 d . . . . .
O2 O 0.7053(3) 0.45327(12) 0.71752(17) 0.0185(4) Uani 1 1 d . . . . .
N1 N 0.7996(3) 0.62729(14) 0.45674(18) 0.0133(4) Uani 1 1 d . . . . .
N2 N 0.8653(3) 0.75951(14) 0.40320(19) 0.0153(4) Uani 1 1 d D . . . .
N3 N 0.6293(3) 0.36906(14) 0.48746(18) 0.0133(4) Uani 1 1 d . . . . .
N4 N 0.5366(3) 0.23342(15) 0.4702(2) 0.0162(4) Uani 1 1 d . . . . .
C1 C 0.9108(3) 0.66555(17) 0.5457(2) 0.0137(5) Uani 1 1 d . . . . .
C2 C 0.9514(3) 0.74768(18) 0.5127(2) 0.0166(5) Uani 1 1 d . . . . .
H2 H 1.0248 0.7887 0.5568 0.020 Uiso 1 1 calc R U . . .
C3 C 0.7759(3) 0.68655(17) 0.3727(2) 0.0147(5) Uani 1 1 d . . . . .
H3 H 0.7049 0.6782 0.3005 0.018 Uiso 1 1 calc R U . . .
C4 C 0.9692(3) 0.61893(17) 0.6571(2) 0.0158(5) Uani 1 1 d . . . . .
H41 H 1.0026 0.5581 0.6401 0.019 Uiso 1 1 calc R U . . .
H42 H 1.0728 0.6488 0.6978 0.019 Uiso 1 1 calc R U . . .
C5 C 0.6758(3) 0.32614(16) 0.5921(2) 0.0123(5) Uani 1 1 d . . . . .
C6 C 0.6183(3) 0.24200(17) 0.5821(2) 0.0144(5) Uani 1 1 d . . . . .
H6 H 0.6319 0.1980 0.6405 0.017 Uiso 1 1 calc R U . . .
C7 C 0.5463(3) 0.31100(17) 0.4168(2) 0.0159(5) Uani 1 1 d . . . . .
H7 H 0.4995 0.3225 0.3385 0.019 Uiso 1 1 calc R U . . .
C8 C 0.7797(3) 0.37150(17) 0.6917(2) 0.0169(5) Uani 1 1 d . . . . .
H8A H 0.7878 0.3332 0.7610 0.020 Uiso 1 1 calc R U . . .
H8B H 0.8987 0.3815 0.6732 0.020 Uiso 1 1 calc R U . . .
H1A H 0.797(6) 0.574(3) 0.733(4) 0.038(12) Uiso 1 1 d . . . . .
H2A H 0.624(6) 0.443(3) 0.753(4) 0.038(11) Uiso 1 1 d . . . . .
H20 H 0.864(5) 0.803(2) 0.359(3) 0.030(10) Uiso 1 1 d D . . . .
H40 H 0.502(5) 0.187(3) 0.445(3) 0.025(9) Uiso 1 1 d . . . . .
O3 O 0.3648(3) 0.55308(12) 0.78065(16) 0.0191(4) Uani 1 1 d . . . . .
O4 O 0.4421(2) 0.41713(12) 0.84126(16) 0.0172(4) Uani 1 1 d . . . . .
C9 C 0.3586(3) 0.48762(16) 0.8417(2) 0.0129(5) Uani 1 1 d . . . . .
C10 C 0.2237(3) 0.48911(13) 0.9282(2) 0.0166(5) Uani 1 1 d D . . . .
F1A F 0.1978(8) 0.5685(2) 0.9739(7) 0.0205(4) Uani 0.56(2) 1 d D . P A 1
F2A F 0.2792(9) 0.4374(4) 1.0194(4) 0.0205(4) Uani 0.56(2) 1 d D . P A 1
F3A F 0.073(3) 0.460(2) 0.872(3) 0.026(3) Uani 0.56(2) 1 d D . P A 1
F1B F 0.1760(10) 0.5719(2) 0.9462(9) 0.0205(4) Uani 0.44(2) 1 d D . P A 2
F2B F 0.2663(11) 0.4493(5) 1.0308(4) 0.0205(4) Uani 0.44(2) 1 d D . P A 2
F3B F 0.077(4) 0.448(3) 0.885(4) 0.026(3) Uani 0.44(2) 1 d D . P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.106(2) . ?
Ag1 N3 2.108(2) . ?
Ag1 Ag1 3.2044(4) 3_666 ?
O1 C4 1.436(3) . ?
O1 H1A 0.72(4) . ?
O2 C8 1.423(3) . ?
O2 H2A 0.81(4) . ?
N1 C3 1.326(3) . ?
N1 C1 1.386(3) . ?
N2 C3 1.335(3) . ?
N2 C2 1.370(3) . ?
N2 H20 0.84(2) . ?
N3 C7 1.318(3) . ?
N3 C5 1.387(3) . ?
N4 C7 1.343(3) . ?
N4 C6 1.376(3) . ?
N4 H40 0.80(4) . ?
C1 C2 1.359(4) . ?
C1 C4 1.495(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 H41 0.9900 . ?
C4 H42 0.9900 . ?
C5 C6 1.358(3) . ?
C5 C8 1.492(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
O3 C9 1.230(3) . ?
O4 C9 1.256(3) . ?
C9 C10 1.546(4) . ?
C10 F2B 1.340(4) . ?
C10 F1B 1.340(3) . ?
C10 F3A 1.343(4) . ?
C10 F3B 1.343(4) . ?
C10 F2A 1.345(3) . ?
C10 F1A 1.348(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 N3 166.46(9) . . ?
N1 Ag1 Ag1 114.09(6) . 3_666 ?
N3 Ag1 Ag1 73.21(6) . 3_666 ?
C4 O1 H1A 112(3) . . ?
C8 O2 H2A 108(3) . . ?
C3 N1 C1 106.0(2) . . ?
C3 N1 Ag1 127.56(18) . . ?
C1 N1 Ag1 126.45(17) . . ?
C3 N2 C2 108.1(2) . . ?
C3 N2 H20 122(3) . . ?
C2 N2 H20 129(3) . . ?
C7 N3 C5 106.2(2) . . ?
C7 N3 Ag1 129.92(18) . . ?
C5 N3 Ag1 123.84(17) . . ?
C7 N4 C6 107.9(2) . . ?
C7 N4 H40 130(3) . . ?
C6 N4 H40 121(3) . . ?
C2 C1 N1 108.8(2) . . ?
C2 C1 C4 128.9(2) . . ?
N1 C1 C4 122.3(2) . . ?
C1 C2 N2 106.3(2) . . ?
C1 C2 H2 126.9 . . ?
N2 C2 H2 126.9 . . ?
N1 C3 N2 110.8(2) . . ?
N1 C3 H3 124.6 . . ?
N2 C3 H3 124.6 . . ?
O1 C4 C1 111.8(2) . . ?
O1 C4 H41 109.3 . . ?
C1 C4 H41 109.3 . . ?
O1 C4 H42 109.3 . . ?
C1 C4 H42 109.3 . . ?
H41 C4 H42 107.9 . . ?
C6 C5 N3 109.0(2) . . ?
C6 C5 C8 130.0(2) . . ?
N3 C5 C8 120.9(2) . . ?
C5 C6 N4 106.0(2) . . ?
C5 C6 H6 127.0 . . ?
N4 C6 H6 127.0 . . ?
N3 C7 N4 110.8(2) . . ?
N3 C7 H7 124.6 . . ?
N4 C7 H7 124.6 . . ?
O2 C8 C5 112.1(2) . . ?
O2 C8 H8A 109.2 . . ?
C5 C8 H8A 109.2 . . ?
O2 C8 H8B 109.2 . . ?
C5 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
O3 C9 O4 129.2(2) . . ?
O3 C9 C10 116.4(2) . . ?
O4 C9 C10 114.3(2) . . ?
F2B C10 F1B 109.2(3) . . ?
F2B C10 F3B 102.7(17) . . ?
F1B C10 F3B 105(2) . . ?
F3A C10 F2A 110.9(12) . . ?
F3A C10 F1A 109(2) . . ?
F2A C10 F1A 105.4(3) . . ?
F2B C10 C9 117.6(4) . . ?
F1B C10 C9 109.9(3) . . ?
F3A C10 C9 108(2) . . ?
F3B C10 C9 111(3) . . ?
F2A C10 C9 109.2(3) . . ?
F1A C10 C9 114.7(3) . . ?

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
C3 N1 C1 C2 0.1(3) . . . . ?
Ag1 N1 C1 C2 -178.72(17) . . . . ?
C3 N1 C1 C4 179.9(2) . . . . ?
Ag1 N1 C1 C4 1.1(3) . . . . ?
N1 C1 C2 N2 -0.2(3) . . . . ?
C4 C1 C2 N2 180.0(2) . . . . ?
C3 N2 C2 C1 0.3(3) . . . . ?
C1 N1 C3 N2 0.1(3) . . . . ?
Ag1 N1 C3 N2 178.87(16) . . . . ?
C2 N2 C3 N1 -0.2(3) . . . . ?
C2 C1 C4 O1 103.6(3) . . . . ?
N1 C1 C4 O1 -76.2(3) . . . . ?
C7 N3 C5 C6 -0.2(3) . . . . ?
Ag1 N3 C5 C6 179.90(16) . . . . ?
C7 N3 C5 C8 177.3(2) . . . . ?
Ag1 N3 C5 C8 -2.6(3) . . . . ?
N3 C5 C6 N4 0.2(3) . . . . ?
C8 C5 C6 N4 -177.0(2) . . . . ?
C7 N4 C6 C5 -0.1(3) . . . . ?
C5 N3 C7 N4 0.1(3) . . . . ?
Ag1 N3 C7 N4 180.00(17) . . . . ?
C6 N4 C7 N3 0.0(3) . . . . ?
C6 C5 C8 O2 -131.0(3) . . . . ?
N3 C5 C8 O2 52.1(3) . . . . ?
O3 C9 C10 F2B -145.2(5) . . . . ?
O4 C9 C10 F2B 37.5(5) . . . . ?
O3 C9 C10 F1B -19.5(6) . . . . ?
O4 C9 C10 F1B 163.2(5) . . . . ?
O3 C9 C10 F3A 86.9(15) . . . . ?
O4 C9 C10 F3A -90.4(15) . . . . ?
O3 C9 C10 F3B 96.7(19) . . . . ?
O4 C9 C10 F3B -80.6(19) . . . . ?
O3 C9 C10 F2A -152.7(4) . . . . ?
O4 C9 C10 F2A 30.0(4) . . . . ?
O3 C9 C10 F1A -34.6(5) . . . . ?
O4 C9 C10 F1A 148.1(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
O1 H1A O2 0.72(4) 1.97(5) 2.690(3) 172(5) .
O2 H2A O3 0.81(4) 2.67(4) 3.222(3) 127(4) .
O2 H2A O4 0.81(4) 1.90(4) 2.709(3) 177(4) .
N2 H20 O1 0.84(2) 1.91(3) 2.733(3) 166(4) 4_575
N4 H40 O4 0.80(4) 2.01(4) 2.787(3) 164(4) 4_565

_refine_diff_density_max         1.977
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.089

####################################################################### 
# 
# 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_complex4
_database_code_depnum_ccdc_archive 'CCDC 1411664'

_audit_update_record             
;
2015-11-04 deposited with the CCDC.
2015-11-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H24 Ag2 N8 O4, 2(B F4)'
_chemical_formula_sum            'C16 H24 Ag2 B2 F8 N8 O4'
_chemical_formula_weight         781.79

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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                   7.9688(3)
_cell_length_b                   9.2044(2)
_cell_length_c                   9.3306(3)
_cell_angle_alpha                73.719(3)
_cell_angle_beta                 76.471(3)
_cell_angle_gamma                74.445(2)
_cell_volume                     623.48(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7189
_cell_measurement_theta_min      3.1540
_cell_measurement_theta_max      40.7760

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.082
_exptl_crystal_F_000             384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    1.673
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.91567
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro (Agilent Technologies)'

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            6974
_diffrn_reflns_av_unetI/netI     0.0161
_diffrn_reflns_av_R_equivalents  0.0122
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.308
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3626
_reflns_number_gt                3532
_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       'CrysAlisPro (Agilent Technologies)'
_computing_cell_refinement       'CrysAlisPro (Agilent Technologies)'
_computing_data_reduction        'CrysAlisPro (Agilent Technologies)'
_computing_structure_solution    
;
Sheldrick, G. M. (2015). Acta Cryst. A71, 3--8.
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics    
; 
C. F. Macrae, I. J. Bruno, J. A. Chisholm, P. R. Edgington, P. McCabe, E.
Pidcock, L. Rodriguez-Monge, R. Taylor, J. van de Streek and P. A. Wood
(2008). J. Appl. Cryst. 41, 466--470.
A. L. Spek (2009). Acta Cryst. D65, 148--155.
;
_computing_publication_material  
;
Sheldrick, G. M. (2015). Acta Cryst. C71, 3--8.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920--925.
;

_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)+(0.0180P)²+0.6695P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3626
_refine_ls_number_parameters     211
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0210
_refine_ls_wR_factor_ref         0.0497
_refine_ls_wR_factor_gt          0.0492
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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 0.29545(2) 0.48021(2) 0.57140(2) 0.02165(4) Uani 1 1 d . . . . .
O1A O 0.6139(3) 0.1997(3) 0.4968(2) 0.0457(7) Uani 0.731(4) 1 d . . P A 1
H1A H 0.7163 0.1518 0.4674 0.069 Uiso 0.731(4) 1 calc R U P A 1
C4A C 0.5427(7) 0.1133(6) 0.6424(6) 0.0426(14) Uani 0.731(4) 1 d . U P A 1
H4A1 H 0.6213 0.0095 0.6667 0.051 Uiso 0.731(4) 1 calc R U P A 1
H4A2 H 0.4249 0.0991 0.6393 0.051 Uiso 0.731(4) 1 calc R U P A 1
O1B O 0.4481(7) 0.1030(5) 0.5688(5) 0.0221(12) Uani 0.269(4) 1 d . . P A 2
H1B H 0.3908 0.0480 0.6407 0.033 Uiso 0.269(4) 1 calc R U P A 2
C4B C 0.5955(12) 0.1229(13) 0.6180(11) 0.0171(17) Uani 0.269(4) 1 d . U P A 2
H4B1 H 0.6604 0.1919 0.5353 0.020 Uiso 0.269(4) 1 calc R U P A 2
H4B2 H 0.6775 0.0214 0.6448 0.020 Uiso 0.269(4) 1 calc R U P A 2
O2 O 0.4271(2) 0.3028(3) 0.2622(2) 0.0508(5) Uani 1 1 d . . . . .
H2A H 0.4690 0.2839 0.3418 0.076 Uiso 1 1 calc R U . . .
N1 N 0.41916(19) 0.34286(17) 0.75350(17) 0.0219(3) Uani 1 1 d . . . . .
N2 N 0.5198(2) 0.2628(2) 0.9676(2) 0.0313(3) Uani 1 1 d . . . . .
N3 N 0.1633(2) 0.57877(19) 0.38602(18) 0.0258(3) Uani 1 1 d . . . . .
N4 N 0.0091(2) 0.7377(3) 0.2164(2) 0.0438(5) Uani 1 1 d . . . . .
C1 C 0.5271(2) 0.1959(2) 0.7598(2) 0.0264(3) Uani 1 1 d . . . . .
C2 C 0.5898(2) 0.1463(2) 0.8921(2) 0.0286(4) Uani 1 1 d . . . . .
H2 H 0.6669 0.0501 0.9258 0.034 Uiso 1 1 calc R U . . .
C3 C 0.4185(2) 0.3783(2) 0.8810(2) 0.0280(4) Uani 1 1 d . . . . .
H3 H 0.3549 0.4728 0.9079 0.034 Uiso 1 1 calc R U . . .
C5 C 0.1534(3) 0.4978(3) 0.2842(2) 0.0335(4) Uani 1 1 d . . . . .
C6 C 0.0577(3) 0.5971(4) 0.1797(3) 0.0467(6) Uani 1 1 d . . . . .
H6 H 0.0298 0.5732 0.0966 0.056 Uiso 1 1 calc R U . . .
C7 C 0.0749(3) 0.7225(2) 0.3405(2) 0.0338(4) Uani 1 1 d . . . . .
H7 H 0.0602 0.8039 0.3894 0.041 Uiso 1 1 calc R U . . .
C8 C 0.2374(3) 0.3306(3) 0.2986(3) 0.0433(5) Uani 1 1 d . . . . .
H8A H 0.2024 0.2732 0.4038 0.052 Uiso 1 1 calc R U . . .
H8B H 0.1930 0.2901 0.2303 0.052 Uiso 1 1 calc R U . . .
H20 H 0.530(4) 0.265(3) 1.050(3) 0.042(8) Uiso 1 1 d . . . . .
H40 H -0.048(5) 0.817(4) 0.168(4) 0.073(11) Uiso 1 1 d . . . . .
F1 F 1.07503(16) 0.14140(19) 0.09758(14) 0.0416(3) Uani 1 1 d . . . . .
F2 F 0.82856(17) 0.29955(17) 0.19031(18) 0.0452(3) Uani 1 1 d . . . . .
F3 F 0.9556(2) 0.08222(17) 0.34714(15) 0.0429(3) Uani 1 1 d . . . . .
F4 F 0.81434(19) 0.0621(2) 0.1711(2) 0.0572(4) Uani 1 1 d . . . . .
B1 B 0.9186(3) 0.1468(3) 0.2013(3) 0.0352(5) 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 2.0900(15) . ?
Ag1 N3 2.0938(16) . ?
Ag1 Ag1 3.2967(3) 2_666 ?
O1A C4A 1.441(5) . ?
O1A H1A 0.8400 . ?
C4A C1 1.465(6) . ?
C4A H4A1 0.9900 . ?
C4A H4A2 0.9900 . ?
O1B C4B 1.428(9) . ?
O1B H1B 0.8400 . ?
C4B C1 1.569(10) . ?
C4B H4B1 0.9900 . ?
C4B H4B2 0.9900 . ?
O2 C8 1.438(3) . ?
O2 H2A 0.8400 . ?
N1 C3 1.318(2) . ?
N1 C1 1.389(2) . ?
N2 C3 1.341(3) . ?
N2 C2 1.370(3) . ?
N2 H20 0.80(3) . ?
N3 C7 1.323(3) . ?
N3 C5 1.389(3) . ?
N4 C7 1.338(3) . ?
N4 C6 1.363(4) . ?
N4 H40 0.82(4) . ?
C1 C2 1.353(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C5 C6 1.357(3) . ?
C5 C8 1.485(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
F1 B1 1.387(3) . ?
F2 B1 1.383(3) . ?
F3 B1 1.390(3) . ?
F4 B1 1.399(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 N3 169.28(6) . . ?
N1 Ag1 Ag1 80.69(4) . 2_666 ?
N3 Ag1 Ag1 103.53(4) . 2_666 ?
C4A O1A H1A 109.5 . . ?
O1A C4A C1 110.1(4) . . ?
O1A C4A H4A1 109.6 . . ?
C1 C4A H4A1 109.6 . . ?
O1A C4A H4A2 109.6 . . ?
C1 C4A H4A2 109.6 . . ?
H4A1 C4A H4A2 108.2 . . ?
C4B O1B H1B 109.5 . . ?
O1B C4B C1 109.1(6) . . ?
O1B C4B H4B1 109.9 . . ?
C1 C4B H4B1 109.9 . . ?
O1B C4B H4B2 109.9 . . ?
C1 C4B H4B2 109.9 . . ?
H4B1 C4B H4B2 108.3 . . ?
C8 O2 H2A 109.5 . . ?
C3 N1 C1 106.03(16) . . ?
C3 N1 Ag1 128.06(12) . . ?
C1 N1 Ag1 125.85(12) . . ?
C3 N2 C2 108.07(17) . . ?
C3 N2 H20 123(2) . . ?
C2 N2 H20 129(2) . . ?
C7 N3 C5 106.22(18) . . ?
C7 N3 Ag1 129.75(15) . . ?
C5 N3 Ag1 124.03(14) . . ?
C7 N4 C6 107.6(2) . . ?
C7 N4 H40 127(3) . . ?
C6 N4 H40 125(3) . . ?
C2 C1 N1 109.06(17) . . ?
C2 C1 C4A 130.0(3) . . ?
N1 C1 C4A 120.6(3) . . ?
C2 C1 C4B 126.8(4) . . ?
N1 C1 C4B 122.7(4) . . ?
C1 C2 N2 106.13(17) . . ?
C1 C2 H2 126.9 . . ?
N2 C2 H2 126.9 . . ?
N1 C3 N2 110.71(17) . . ?
N1 C3 H3 124.6 . . ?
N2 C3 H3 124.6 . . ?
C6 C5 N3 108.1(2) . . ?
C6 C5 C8 129.8(2) . . ?
N3 C5 C8 122.09(19) . . ?
C5 C6 N4 107.2(2) . . ?
C5 C6 H6 126.4 . . ?
N4 C6 H6 126.4 . . ?
N3 C7 N4 110.9(2) . . ?
N3 C7 H7 124.6 . . ?
N4 C7 H7 124.6 . . ?
O2 C8 C5 112.6(2) . . ?
O2 C8 H8A 109.1 . . ?
C5 C8 H8A 109.1 . . ?
O2 C8 H8B 109.1 . . ?
C5 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
F2 B1 F1 109.3(2) . . ?
F2 B1 F3 109.55(19) . . ?
F1 B1 F3 109.72(17) . . ?
F2 B1 F4 109.81(18) . . ?
F1 B1 F4 109.6(2) . . ?
F3 B1 F4 108.9(2) . . ?

_refine_diff_density_max         0.685
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.071

