# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1478838'
_audit_update_record             
;
2016-05-24 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_audit_creation_date             2015-12-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H24 Ag N12, F6 P'
_chemical_formula_sum            'C16 H24 Ag F6 N12 P'
_chemical_formula_weight         637.31
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7424(3)
_cell_length_b                   11.0479(4)
_cell_length_c                   13.0850(4)
_cell_angle_alpha                71.610(3)
_cell_angle_beta                 83.241(3)
_cell_angle_gamma                85.831(3)
_cell_volume                     1190.08(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4381
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      73.8900
_cell_measurement_theta_min      4.5860
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.167
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.10760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8605
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.080
_diffrn_reflns_theta_max         67.080
_diffrn_reflns_theta_min         3.578
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2740
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -70.00  32.00   1.00    1.00    --  -41.49  57.00 120.00  102
  2  ω   -122.00  -1.00   1.00    1.00    --  -41.49 -19.00 -60.00  121
  3  ω   -124.00 -78.00   1.00    1.00    --  -41.49 -87.00 104.00   46
  4  ω     23.00  98.00   1.00    1.00    --   41.49-125.00 -60.00   75
  5  ω     23.00  98.00   1.00    1.00    --   41.49-125.00 -30.00   75
  6  ω     23.00  98.00   1.00    1.00    --   41.49-125.00-150.00   75
  7  ω     79.00 176.00   1.00    1.00    --  107.08  61.00  90.00   97
  8  ω     94.00 126.00   1.00    1.00    --  107.08  45.00 -90.00   32
  9  ω     40.00 104.00   1.00    1.00    --  107.08 -95.00 120.00   64
 10  ω     64.00 107.00   1.00    1.00    --  107.08 -95.00  30.00   43
 11  ω     34.00 128.00   1.00    1.00    --  107.08 -45.00 -60.00   94
 12  ω    132.00 159.00   1.00    1.00    --  107.08 125.00  60.00   27
 13  ω    151.00 177.00   1.00    1.00    --  107.08  45.00 -90.00   26
 14  ω     74.00 116.00   1.00    1.00    --  107.08-125.00 -90.00   42
 15  ω    134.00 176.00   1.00    1.00    --  107.08  30.00-180.00   42
 16  ω     35.00 136.00   1.00    1.00    --  107.08 -61.00 120.00  101
 17  ω     28.00 109.00   1.00    1.00    --  107.08 -95.00 -60.00   81
 18  ω     32.00 152.00   1.00    1.00    --  107.08 -15.00  90.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0743581000
_diffrn_orient_matrix_UB_12      0.0909359000
_diffrn_orient_matrix_UB_13      -0.1065420000
_diffrn_orient_matrix_UB_21      0.1609689000
_diffrn_orient_matrix_UB_22      -0.0542658000
_diffrn_orient_matrix_UB_23      0.0320562000
_diffrn_orient_matrix_UB_31      -0.0096802000
_diffrn_orient_matrix_UB_32      -0.1020330000
_diffrn_orient_matrix_UB_33      -0.0563089000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3781
_reflns_number_total             4257
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.959
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4257
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0391
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0442P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0967
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C11(H11A,H11B), C12(H12A,
 H12B), C13(H13A,H13B), C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C7(H7), C8(H8), C9(H9), C10(H10), C15(H15), C16(H16)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.40870(3) 0.03841(3) 0.73813(2) 0.03063(11) Uani 1 1 d . . . . .
N1 N 0.8567(3) 0.9032(3) 0.3116(2) 0.0239(6) Uani 1 1 d . . . . .
N2 N 0.9220(3) 0.7914(3) 0.3619(2) 0.0207(6) Uani 1 1 d . . . . .
N3 N 1.0753(4) 0.7859(3) 0.3457(3) 0.0305(7) Uani 1 1 d . . . . .
N4 N 0.6698(3) 0.2524(3) 0.4490(2) 0.0211(6) Uani 1 1 d . . . . .
N5 N 0.5625(3) 0.2346(3) 0.5333(2) 0.0224(6) Uani 1 1 d . . . . .
N6 N 0.5610(3) 0.1103(3) 0.5824(2) 0.0237(6) Uani 1 1 d . . . . .
N7 N 0.3425(3) -0.1483(3) 0.8597(2) 0.0255(7) Uani 1 1 d . . . . .
N8 N 0.2402(4) -0.1543(3) 0.9445(2) 0.0256(7) Uani 1 1 d . . . . .
N9 N 0.2069(3) -0.2776(3) 0.9884(2) 0.0218(6) Uani 1 1 d . . . . .
N10 N -0.4081(3) -0.2258(3) 1.0944(2) 0.0251(7) Uani 1 1 d . . . . .
N11 N -0.4743(4) -0.1952(3) 1.1802(2) 0.0271(7) Uani 1 1 d . . . . .
N12 N -0.4435(4) -0.3383(3) 1.0894(3) 0.0331(8) Uani 1 1 d . . . . .
C1 C 0.9755(4) 0.9755(3) 0.2607(3) 0.0252(8) Uani 1 1 d . . . . .
H1 H 0.9684 1.0606 0.2183 0.030 Uiso 1 1 calc R . . . .
C2 C 1.1102(4) 0.9035(4) 0.2813(3) 0.0280(8) Uani 1 1 d . . . . .
H2 H 1.2090 0.9317 0.2548 0.034 Uiso 1 1 calc R . . . .
C3 C 0.8359(4) 0.6818(3) 0.4283(3) 0.0218(7) Uani 1 1 d . . . . .
H3A H 0.7374 0.7111 0.4564 0.026 Uiso 1 1 calc R . . . .
H3B H 0.8922 0.6357 0.4895 0.026 Uiso 1 1 calc R . . . .
C4 C 0.8082(4) 0.5917(3) 0.3656(3) 0.0218(7) Uani 1 1 d . . . . .
H4A H 0.7380 0.6330 0.3117 0.026 Uiso 1 1 calc R . . . .
H4B H 0.9049 0.5724 0.3282 0.026 Uiso 1 1 calc R . . . .
C5 C 0.7407(4) 0.4685(3) 0.4413(3) 0.0232(7) Uani 1 1 d . . . . .
H5A H 0.8137 0.4248 0.4924 0.028 Uiso 1 1 calc R . . . .
H5B H 0.6474 0.4883 0.4819 0.028 Uiso 1 1 calc R . . . .
C6 C 0.7037(5) 0.3817(3) 0.3786(3) 0.0287(8) Uani 1 1 d . . . . .
H6A H 0.6155 0.4179 0.3390 0.034 Uiso 1 1 calc R . . . .
H6B H 0.7906 0.3774 0.3263 0.034 Uiso 1 1 calc R . . . .
C7 C 0.7370(4) 0.1414(3) 0.4436(3) 0.0261(8) Uani 1 1 d . . . . .
H7 H 0.8151 0.1288 0.3928 0.031 Uiso 1 1 calc R . . . .
C8 C 0.6655(4) 0.0508(3) 0.5294(3) 0.0254(8) Uani 1 1 d . . . . .
H8 H 0.6857 -0.0368 0.5479 0.031 Uiso 1 1 calc R . . . .
C9 C 0.3714(4) -0.2666(4) 0.8512(3) 0.0251(8) Uani 1 1 d . . . . .
H9 H 0.4381 -0.2878 0.7981 0.030 Uiso 1 1 calc R . . . .
C10 C 0.2857(4) -0.3498(4) 0.9339(3) 0.0278(8) Uani 1 1 d . . . . .
H10 H 0.2828 -0.4377 0.9491 0.033 Uiso 1 1 calc R . . . .
C11 C 0.0949(4) -0.3194(4) 1.0846(3) 0.0274(8) Uani 1 1 d . . . . .
H11A H 0.1092 -0.2726 1.1340 0.033 Uiso 1 1 calc R . . . .
H11B H 0.1145 -0.4094 1.1213 0.033 Uiso 1 1 calc R . . . .
C12 C -0.0714(4) -0.2988(3) 1.0566(3) 0.0260(8) Uani 1 1 d . . . . .
H12A H -0.0774 -0.3204 0.9909 0.031 Uiso 1 1 calc R . . . .
H12B H -0.1356 -0.3567 1.1142 0.031 Uiso 1 1 calc R . . . .
C13 C -0.1347(4) -0.1642(4) 1.0407(3) 0.0274(8) Uani 1 1 d . . . . .
H13A H -0.0699 -0.1062 0.9835 0.033 Uiso 1 1 calc R . . . .
H13B H -0.1295 -0.1429 1.1066 0.033 Uiso 1 1 calc R . . . .
C14 C -0.3012(4) -0.1432(4) 1.0116(3) 0.0300(8) Uani 1 1 d . . . . .
H14A H -0.3335 -0.0548 1.0020 0.036 Uiso 1 1 calc R . . . .
H14B H -0.3057 -0.1594 0.9434 0.036 Uiso 1 1 calc R . . . .
C15 C -0.5403(4) -0.3837(4) 1.1780(3) 0.0307(9) Uani 1 1 d . . . . .
H15 H -0.5864 -0.4623 1.1990 0.037 Uiso 1 1 calc R . . . .
C16 C -0.5610(4) -0.2953(4) 1.2336(3) 0.0283(8) Uani 1 1 d . . . . .
H16 H -0.6245 -0.3039 1.2975 0.034 Uiso 1 1 calc R . . . .
P1 P 1.17719(10) 1.29424(8) 0.27102(7) 0.0210(2) Uani 1 1 d . . . . .
F1 F 1.2561(3) 1.3804(2) 0.15703(16) 0.0339(5) Uani 1 1 d . . . . .
F2 F 1.3311(2) 1.2945(2) 0.32548(18) 0.0364(5) Uani 1 1 d . . . . .
F3 F 1.2411(3) 1.1691(2) 0.24157(19) 0.0412(6) Uani 1 1 d . . . . .
F4 F 1.0990(3) 1.2086(2) 0.38466(17) 0.0346(5) Uani 1 1 d . . . . .
F5 F 1.0231(3) 1.2918(3) 0.2174(2) 0.0509(7) Uani 1 1 d . . . . .
F6 F 1.1152(3) 1.4198(2) 0.30062(19) 0.0433(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 2.469(3) 2_666 ?
Ag1 N6 2.247(3) . ?
Ag1 N7 2.238(3) . ?
Ag1 N11 2.435(3) 2_557 ?
N1 Ag1 2.469(3) 2_666 ?
N1 N2 1.325(4) . ?
N1 C1 1.335(5) . ?
N2 N3 1.332(4) . ?
N2 C3 1.450(4) . ?
N3 C2 1.340(5) . ?
N4 N5 1.335(4) . ?
N4 C6 1.464(4) . ?
N4 C7 1.339(5) . ?
N5 N6 1.320(4) . ?
N6 C8 1.341(5) . ?
N7 N8 1.328(4) . ?
N7 C9 1.350(5) . ?
N8 N9 1.341(4) . ?
N9 C10 1.335(5) . ?
N9 C11 1.472(4) . ?
N10 N11 1.329(4) . ?
N10 N12 1.326(4) . ?
N10 C14 1.463(5) . ?
N11 Ag1 2.435(3) 2_557 ?
N11 C16 1.340(5) . ?
N12 C15 1.332(5) . ?
C1 H1 0.9300 . ?
C1 C2 1.377(5) . ?
C2 H2 0.9300 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.523(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.521(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.517(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7 0.9300 . ?
C7 C8 1.368(5) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.363(5) . ?
C10 H10 0.9300 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.524(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.508(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.530(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15 0.9300 . ?
C15 C16 1.381(5) . ?
C16 H16 0.9300 . ?
P1 F1 1.601(2) . ?
P1 F2 1.595(2) . ?
P1 F3 1.595(2) . ?
P1 F4 1.594(2) . ?
P1 F5 1.596(2) . ?
P1 F6 1.596(2) . ?

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
N6 Ag1 N1 105.10(11) . 2_666 ?
N6 Ag1 N11 96.85(10) . 2_557 ?
N7 Ag1 N1 93.58(10) . 2_666 ?
N7 Ag1 N6 138.60(11) . . ?
N7 Ag1 N11 113.31(11) . 2_557 ?
N11 Ag1 N1 105.90(10) 2_557 2_666 ?
N2 N1 Ag1 131.1(2) . 2_666 ?
N2 N1 C1 104.1(3) . . ?
C1 N1 Ag1 121.9(2) . 2_666 ?
N1 N2 N3 114.7(3) . . ?
N1 N2 C3 123.7(3) . . ?
N3 N2 C3 121.7(3) . . ?
N2 N3 C2 103.7(3) . . ?
N5 N4 C6 120.1(3) . . ?
N5 N4 C7 111.3(3) . . ?
C7 N4 C6 128.5(3) . . ?
N6 N5 N4 106.3(3) . . ?
N5 N6 Ag1 118.2(2) . . ?
N5 N6 C8 109.6(3) . . ?
C8 N6 Ag1 132.0(2) . . ?
N8 N7 Ag1 121.6(2) . . ?
N8 N7 C9 109.2(3) . . ?
C9 N7 Ag1 128.0(2) . . ?
N7 N8 N9 106.0(3) . . ?
N8 N9 C11 120.8(3) . . ?
C10 N9 N8 111.6(3) . . ?
C10 N9 C11 127.6(3) . . ?
N11 N10 C14 123.0(3) . . ?
N12 N10 N11 115.3(3) . . ?
N12 N10 C14 121.7(3) . . ?
N10 N11 Ag1 131.0(2) . 2_557 ?
N10 N11 C16 103.4(3) . . ?
C16 N11 Ag1 123.2(2) . 2_557 ?
N10 N12 C15 103.7(3) . . ?
N1 C1 H1 125.6 . . ?
N1 C1 C2 108.8(3) . . ?
C2 C1 H1 125.6 . . ?
N3 C2 C1 108.7(3) . . ?
N3 C2 H2 125.6 . . ?
C1 C2 H2 125.6 . . ?
N2 C3 H3A 109.1 . . ?
N2 C3 H3B 109.1 . . ?
N2 C3 C4 112.3(3) . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 C3 110.8(3) . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C6 C5 C4 111.1(3) . . ?
C6 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
N4 C6 C5 112.5(3) . . ?
N4 C6 H6A 109.1 . . ?
N4 C6 H6B 109.1 . . ?
C5 C6 H6A 109.1 . . ?
C5 C6 H6B 109.1 . . ?
H6A C6 H6B 107.8 . . ?
N4 C7 H7 127.6 . . ?
N4 C7 C8 104.7(3) . . ?
C8 C7 H7 127.6 . . ?
N6 C8 C7 108.1(3) . . ?
N6 C8 H8 126.0 . . ?
C7 C8 H8 126.0 . . ?
N7 C9 H9 125.9 . . ?
N7 C9 C10 108.2(3) . . ?
C10 C9 H9 125.9 . . ?
N9 C10 C9 105.1(3) . . ?
N9 C10 H10 127.5 . . ?
C9 C10 H10 127.5 . . ?
N9 C11 H11A 109.1 . . ?
N9 C11 H11B 109.1 . . ?
N9 C11 C12 112.6(3) . . ?
H11A C11 H11B 107.8 . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
C11 C12 H12A 108.8 . . ?
C11 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C13 C12 C11 113.8(3) . . ?
C13 C12 H12A 108.8 . . ?
C13 C12 H12B 108.8 . . ?
C12 C13 H13A 108.8 . . ?
C12 C13 H13B 108.8 . . ?
C12 C13 C14 113.8(3) . . ?
H13A C13 H13B 107.7 . . ?
C14 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
N10 C14 C13 112.6(3) . . ?
N10 C14 H14A 109.1 . . ?
N10 C14 H14B 109.1 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
N12 C15 H15 125.5 . . ?
N12 C15 C16 108.9(3) . . ?
C16 C15 H15 125.5 . . ?
N11 C16 C15 108.7(3) . . ?
N11 C16 H16 125.7 . . ?
C15 C16 H16 125.7 . . ?
F2 P1 F1 90.10(12) . . ?
F2 P1 F5 179.18(16) . . ?
F2 P1 F6 89.67(13) . . ?
F3 P1 F1 89.58(12) . . ?
F3 P1 F2 89.72(14) . . ?
F3 P1 F5 89.69(14) . . ?
F3 P1 F6 179.36(15) . . ?
F4 P1 F1 179.81(14) . . ?
F4 P1 F2 89.73(12) . . ?
F4 P1 F3 90.49(12) . . ?
F4 P1 F5 89.70(13) . . ?
F4 P1 F6 89.74(13) . . ?
F5 P1 F1 90.47(14) . . ?
F5 P1 F6 90.92(15) . . ?
F6 P1 F1 90.19(12) . . ?

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
Ag1 N1 N2 N3 159.6(2) 2_666 . . . ?
Ag1 N1 N2 C3 -19.5(4) 2_666 . . . ?
Ag1 N1 C1 C2 -162.0(2) 2_666 . . . ?
Ag1 N6 C8 C7 -174.0(2) . . . . ?
Ag1 N7 N8 N9 169.0(2) . . . . ?
Ag1 N7 C9 C10 -168.4(2) . . . . ?
Ag1 N11 C16 C15 -162.8(3) 2_557 . . . ?
N1 N2 N3 C2 0.8(4) . . . . ?
N1 N2 C3 C4 95.4(4) . . . . ?
N1 C1 C2 N3 -0.3(4) . . . . ?
N2 N1 C1 C2 0.7(4) . . . . ?
N2 N3 C2 C1 -0.2(4) . . . . ?
N2 C3 C4 C5 171.0(3) . . . . ?
N3 N2 C3 C4 -83.6(4) . . . . ?
N4 N5 N6 Ag1 175.1(2) . . . . ?
N4 N5 N6 C8 -0.2(4) . . . . ?
N4 C7 C8 N6 -0.5(4) . . . . ?
N5 N4 C6 C5 53.3(4) . . . . ?
N5 N4 C7 C8 0.4(4) . . . . ?
N5 N6 C8 C7 0.5(4) . . . . ?
N7 N8 N9 C10 0.2(4) . . . . ?
N7 N8 N9 C11 -179.4(3) . . . . ?
N7 C9 C10 N9 0.7(4) . . . . ?
N8 N7 C9 C10 -0.6(4) . . . . ?
N8 N9 C10 C9 -0.6(4) . . . . ?
N8 N9 C11 C12 81.3(4) . . . . ?
N9 C11 C12 C13 -81.6(4) . . . . ?
N10 N11 C16 C15 1.2(4) . . . . ?
N10 N12 C15 C16 0.5(4) . . . . ?
N11 N10 N12 C15 0.3(4) . . . . ?
N11 N10 C14 C13 86.3(4) . . . . ?
N12 N10 N11 Ag1 161.2(3) . . . 2_557 ?
N12 N10 N11 C16 -1.0(4) . . . . ?
N12 N10 C14 C13 -92.6(4) . . . . ?
N12 C15 C16 N11 -1.1(5) . . . . ?
C1 N1 N2 N3 -0.9(4) . . . . ?
C1 N1 N2 C3 180.0(3) . . . . ?
C3 N2 N3 C2 179.8(3) . . . . ?
C3 C4 C5 C6 176.5(3) . . . . ?
C4 C5 C6 N4 167.8(3) . . . . ?
C6 N4 N5 N6 -178.3(3) . . . . ?
C6 N4 C7 C8 178.4(3) . . . . ?
C7 N4 N5 N6 -0.1(4) . . . . ?
C7 N4 C6 C5 -124.5(4) . . . . ?
C9 N7 N8 N9 0.2(4) . . . . ?
C10 N9 C11 C12 -98.4(4) . . . . ?
C11 N9 C10 C9 179.1(3) . . . . ?
C11 C12 C13 C14 179.5(3) . . . . ?
C12 C13 C14 N10 59.3(4) . . . . ?
C14 N10 N11 Ag1 -17.7(5) . . . 2_557 ?
C14 N10 N11 C16 -179.9(3) . . . . ?
C14 N10 N12 C15 179.3(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2015-12-28
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 6.863
_oxdiff_exptl_absorpt_empirical_full_min 0.609
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1478839'
_audit_update_record             
;
2016-05-24 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_audit_creation_date             2016-03-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H36 Ag2 N18, 2(B F4)'
_chemical_formula_sum            'C24 H36 Ag2 B2 F8 N18'
_chemical_formula_weight         966.07
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   9.4022(5)
_cell_length_b                   9.0007(6)
_cell_length_c                   21.7341(12)
_cell_angle_alpha                90
_cell_angle_beta                 95.977(5)
_cell_angle_gamma                90
_cell_volume                     1829.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2877
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.0310
_cell_measurement_theta_min      5.2870
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.377
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.07986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_unetI/netI     0.0706
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6526
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.076
_diffrn_reflns_theta_max         67.076
_diffrn_reflns_theta_min         4.090
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2740
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     70.00 108.00   1.00    1.00    --   40.99  38.00  30.00   38
  2  ω     80.00 171.00   1.00    1.00    --  107.08  30.00 120.00   91
  3  ω    101.00 128.00   1.00    1.00    --  107.08 125.00 120.00   27
  4  ω     39.00 111.00   1.00    1.00    --  107.08 -45.00  60.00   72
  5  ω     39.00  69.00   1.00    1.00    --  107.08-125.00  30.00   30
  6  ω     26.00 107.00   1.00    1.00    --  107.08 -95.00  60.00   81
  7  ω     26.00  92.00   1.00    1.00    --   40.99-125.00   0.00   66
  8  ω     44.00 115.00   1.00    1.00    --  107.08-125.00-120.00   71
  9  ω      2.00  80.00   1.00    1.00    --   40.99 -99.00-120.00   78
 10  ω     98.00 160.00   1.00    1.00    --  107.08  45.00-180.00   62
 11  ω   -113.00 -45.00   1.00    1.00    --  -40.99 -77.00 -90.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1533914000
_diffrn_orient_matrix_UB_12      0.0536512000
_diffrn_orient_matrix_UB_13      0.0062799000
_diffrn_orient_matrix_UB_21      -0.0433602000
_diffrn_orient_matrix_UB_22      -0.1595729000
_diffrn_orient_matrix_UB_23      0.0158318000
_diffrn_orient_matrix_UB_31      0.0413787000
_diffrn_orient_matrix_UB_32      0.0316319000
_diffrn_orient_matrix_UB_33      0.0691675000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2800
_reflns_number_total             3266
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.036
_refine_diff_density_min         -2.006
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3266
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0769
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1287P)²+7.0498P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2059
_refine_ls_wR_factor_ref         0.2168
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C11(H11A,H11B), C12(H12A,
 H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C7(H7), C8(H8), C9(H9), C10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.35219(6) 0.58260(6) 0.44418(2) 0.0309(3) Uani 1 1 d . . . . .
N1 N 0.2968(7) 0.7422(8) 0.3672(3) 0.0277(14) Uani 1 1 d . . . . .
N2 N 0.1936(7) 0.8410(7) 0.3701(3) 0.0263(14) Uani 1 1 d . . . . .
N3 N 0.1892(7) 0.9210(7) 0.3183(3) 0.0252(14) Uani 1 1 d . . . . .
N4 N 0.0591(7) 1.3802(8) 0.4450(3) 0.0271(14) Uani 1 1 d . . . . .
N5 N -0.0252(7) 1.2969(8) 0.4759(3) 0.0317(15) Uani 1 1 d . . . . .
N6 N 0.1877(7) 1.4060(7) 0.4736(3) 0.0270(15) Uani 1 1 d . . . . .
N7 N 0.6154(6) 0.1990(7) 0.4322(3) 0.0220(13) Uani 1 1 d . . . . .
N8 N 0.5836(6) 0.3264(7) 0.4565(2) 0.0216(13) Uani 1 1 d . . . . .
N9 N 0.5189(7) 0.4077(7) 0.4118(3) 0.0254(14) Uani 1 1 d . . . . .
C1 C 0.3580(8) 0.7599(10) 0.3142(4) 0.0340(19) Uani 1 1 d . . . . .
H1 H 0.4327 0.7042 0.3013 0.041 Uiso 1 1 calc R . . . .
C2 C 0.2889(9) 0.8760(10) 0.2832(3) 0.0324(18) Uani 1 1 d . . . . .
H2 H 0.3078 0.9154 0.2454 0.039 Uiso 1 1 calc R . . . .
C3 C 0.0836(9) 1.0368(9) 0.3069(3) 0.0311(17) Uani 1 1 d . . . . .
H3A H -0.0097 0.9974 0.3135 0.037 Uiso 1 1 calc R . . . .
H3B H 0.0801 1.0682 0.2641 0.037 Uiso 1 1 calc R . . . .
C4 C 0.1159(8) 1.1710(9) 0.3489(3) 0.0253(16) Uani 1 1 d . . . . .
H4A H 0.2038 1.2178 0.3392 0.030 Uiso 1 1 calc R . . . .
H4B H 0.1289 1.1390 0.3917 0.030 Uiso 1 1 calc R . . . .
C5 C -0.0075(9) 1.2829(9) 0.3398(3) 0.0305(17) Uani 1 1 d . . . . .
H5A H -0.0220 1.3119 0.2966 0.037 Uiso 1 1 calc R . . . .
H5B H -0.0946 1.2359 0.3503 0.037 Uiso 1 1 calc R . . . .
C6 C 0.0217(9) 1.4212(9) 0.3797(3) 0.0297(18) Uani 1 1 d . . . . .
H6A H 0.0997 1.4771 0.3650 0.036 Uiso 1 1 calc R . . . .
H6B H -0.0626 1.4841 0.3762 0.036 Uiso 1 1 calc R . . . .
C7 C 0.1836(9) 1.3391(9) 0.5285(3) 0.0300(18) Uani 1 1 d . . . . .
H7 H 0.2570 1.3378 0.5606 0.036 Uiso 1 1 calc R . . . .
C8 C 0.0520(9) 1.2726(10) 0.5290(4) 0.0323(18) Uani 1 1 d . . . . .
H8 H 0.0222 1.2188 0.5619 0.039 Uiso 1 1 calc R . . . .
C9 C 0.5713(8) 0.1959(9) 0.3705(3) 0.0265(16) Uani 1 1 d . . . . .
H9 H 0.5810 0.1186 0.3429 0.032 Uiso 1 1 calc R . . . .
C10 C 0.5102(8) 0.3303(10) 0.3583(3) 0.0285(17) Uani 1 1 d . . . . .
H10 H 0.4694 0.3634 0.3200 0.034 Uiso 1 1 calc R . . . .
C11 C 0.6765(8) 0.0757(8) 0.4709(4) 0.0244(16) Uani 1 1 d . . . . .
H11A H 0.7229 0.1148 0.5094 0.029 Uiso 1 1 calc R . . . .
H11B H 0.7482 0.0249 0.4496 0.029 Uiso 1 1 calc R . . . .
C12 C 0.5601(9) -0.0348(10) 0.4846(4) 0.0331(18) Uani 1 1 d . . . . .
H12A H 0.5207 -0.0803 0.4461 0.040 Uiso 1 1 calc R . . . .
H12B H 0.6032 -0.1129 0.5110 0.040 Uiso 1 1 calc R . . . .
F1 F 0.6915(9) 0.8534(8) 0.3549(3) 0.073(2) Uani 1 1 d . . . . .
F2 F 0.6559(7) 0.6818(8) 0.2766(4) 0.074(2) Uani 1 1 d . . . . .
F3 F 0.8807(6) 0.7500(6) 0.3149(2) 0.0473(13) Uani 1 1 d . . . . .
F4 F 0.7331(9) 0.9062(9) 0.2588(3) 0.082(2) Uani 1 1 d . . . . .
B1 B 0.7409(11) 0.7962(12) 0.3037(4) 0.036(2) 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 2.225(6) . ?
Ag1 N6 2.353(7) 1_545 ?
Ag1 N8 2.330(5) 3_666 ?
Ag1 N9 2.379(6) . ?
N1 N2 1.322(9) . ?
N1 C1 1.350(10) . ?
N2 N3 1.335(9) . ?
N3 C2 1.330(10) . ?
N3 C3 1.443(10) . ?
N4 N5 1.324(9) . ?
N4 N6 1.321(9) . ?
N4 C6 1.473(9) . ?
N5 C8 1.317(10) . ?
N6 Ag1 2.353(7) 1_565 ?
N6 C7 1.340(10) . ?
N7 N8 1.309(9) . ?
N7 C9 1.363(9) . ?
N7 C11 1.472(9) . ?
N8 Ag1 2.330(5) 3_666 ?
N8 N9 1.313(9) . ?
N9 C10 1.350(10) . ?
C1 H1 0.9300 . ?
C1 C2 1.370(12) . ?
C2 H2 0.9300 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.525(11) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.534(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.526(11) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7 0.9300 . ?
C7 C8 1.375(12) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.353(12) . ?
C10 H10 0.9300 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.531(11) . ?
C12 C12 1.509(16) 3_656 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
F1 B1 1.352(11) . ?
F2 B1 1.395(12) . ?
F3 B1 1.376(12) . ?
F4 B1 1.387(13) . ?

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 N6 122.1(2) . 1_545 ?
N1 Ag1 N8 119.2(2) . 3_666 ?
N1 Ag1 N9 108.3(2) . . ?
N6 Ag1 N9 96.1(2) 1_545 . ?
N8 Ag1 N6 95.7(2) 3_666 1_545 ?
N8 Ag1 N9 113.1(2) 3_666 . ?
N2 N1 Ag1 120.9(4) . . ?
N2 N1 C1 110.0(6) . . ?
C1 N1 Ag1 129.1(5) . . ?
N1 N2 N3 106.3(6) . . ?
N2 N3 C3 119.6(6) . . ?
C2 N3 N2 110.9(6) . . ?
C2 N3 C3 129.4(7) . . ?
N5 N4 C6 122.3(6) . . ?
N6 N4 N5 115.3(6) . . ?
N6 N4 C6 121.6(6) . . ?
C8 N5 N4 103.5(6) . . ?
N4 N6 Ag1 125.9(5) . 1_565 ?
N4 N6 C7 103.3(7) . . ?
C7 N6 Ag1 128.8(6) . 1_565 ?
N8 N7 C9 110.8(6) . . ?
N8 N7 C11 121.5(6) . . ?
C9 N7 C11 127.4(7) . . ?
N7 N8 Ag1 129.2(4) . 3_666 ?
N7 N8 N9 107.4(5) . . ?
N9 N8 Ag1 123.0(5) . 3_666 ?
N8 N9 Ag1 114.7(4) . . ?
N8 N9 C10 109.3(6) . . ?
C10 N9 Ag1 127.8(5) . . ?
N1 C1 H1 126.7 . . ?
N1 C1 C2 106.7(7) . . ?
C2 C1 H1 126.7 . . ?
N3 C2 C1 106.1(7) . . ?
N3 C2 H2 127.0 . . ?
C1 C2 H2 127.0 . . ?
N3 C3 H3A 109.1 . . ?
N3 C3 H3B 109.1 . . ?
N3 C3 C4 112.3(6) . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 H3A 109.1 . . ?
C4 C3 H3B 109.1 . . ?
C3 C4 H4A 109.7 . . ?
C3 C4 H4B 109.7 . . ?
C3 C4 C5 110.0(6) . . ?
H4A C4 H4B 108.2 . . ?
C5 C4 H4A 109.7 . . ?
C5 C4 H4B 109.7 . . ?
C4 C5 H5A 109.2 . . ?
C4 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
C6 C5 C4 112.0(6) . . ?
C6 C5 H5A 109.2 . . ?
C6 C5 H5B 109.2 . . ?
N4 C6 C5 110.7(6) . . ?
N4 C6 H6A 109.5 . . ?
N4 C6 H6B 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
N6 C7 H7 125.9 . . ?
N6 C7 C8 108.2(7) . . ?
C8 C7 H7 125.9 . . ?
N5 C8 C7 109.5(7) . . ?
N5 C8 H8 125.2 . . ?
C7 C8 H8 125.2 . . ?
N7 C9 H9 127.6 . . ?
C10 C9 N7 104.7(7) . . ?
C10 C9 H9 127.6 . . ?
N9 C10 C9 107.9(7) . . ?
N9 C10 H10 126.1 . . ?
C9 C10 H10 126.1 . . ?
N7 C11 H11A 109.5 . . ?
N7 C11 H11B 109.5 . . ?
N7 C11 C12 110.9(6) . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C11 C12 H12A 108.8 . . ?
C11 C12 H12B 108.8 . . ?
C12 C12 C11 113.7(9) 3_656 . ?
C12 C12 H12A 108.8 3_656 . ?
C12 C12 H12B 108.8 3_656 . ?
H12A C12 H12B 107.7 . . ?
F1 B1 F2 113.4(8) . . ?
F1 B1 F3 111.9(7) . . ?
F1 B1 F4 108.1(9) . . ?
F3 B1 F2 110.3(8) . . ?
F3 B1 F4 108.6(8) . . ?
F4 B1 F2 104.1(8) . . ?

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
Ag1 N1 N2 N3 178.6(5) . . . . ?
Ag1 N1 C1 C2 -177.8(6) . . . . ?
Ag1 N6 C7 C8 165.9(5) 1_565 . . . ?
Ag1 N8 N9 Ag1 -35.6(6) 3_666 . . . ?
Ag1 N8 N9 C10 173.2(5) 3_666 . . . ?
Ag1 N9 C10 C9 -146.2(5) . . . . ?
N1 N2 N3 C2 -1.0(8) . . . . ?
N1 N2 N3 C3 178.3(6) . . . . ?
N1 C1 C2 N3 -0.7(10) . . . . ?
N2 N1 C1 C2 0.2(10) . . . . ?
N2 N3 C2 C1 1.1(9) . . . . ?
N2 N3 C3 C4 71.7(9) . . . . ?
N3 C3 C4 C5 -173.9(6) . . . . ?
N4 N5 C8 C7 -1.5(9) . . . . ?
N4 N6 C7 C8 1.6(8) . . . . ?
N5 N4 N6 Ag1 -167.6(5) . . . 1_565 ?
N5 N4 N6 C7 -2.7(9) . . . . ?
N5 N4 C6 C5 -55.7(10) . . . . ?
N6 N4 N5 C8 2.7(9) . . . . ?
N6 N4 C6 C5 114.3(8) . . . . ?
N6 C7 C8 N5 0.0(10) . . . . ?
N7 N8 N9 Ag1 151.1(4) . . . . ?
N7 N8 N9 C10 -0.1(8) . . . . ?
N7 C9 C10 N9 -0.2(8) . . . . ?
N7 C11 C12 C12 -56.9(10) . . . 3_656 ?
N8 N7 C9 C10 0.1(8) . . . . ?
N8 N7 C11 C12 97.6(8) . . . . ?
N8 N9 C10 C9 0.2(9) . . . . ?
C1 N1 N2 N3 0.5(9) . . . . ?
C2 N3 C3 C4 -109.1(9) . . . . ?
C3 N3 C2 C1 -178.2(8) . . . . ?
C3 C4 C5 C6 -178.5(7) . . . . ?
C4 C5 C6 N4 -53.0(9) . . . . ?
C6 N4 N5 C8 173.3(7) . . . . ?
C6 N4 N6 Ag1 21.7(10) . . . 1_565 ?
C6 N4 N6 C7 -173.4(7) . . . . ?
C9 N7 N8 Ag1 -172.7(5) . . . 3_666 ?
C9 N7 N8 N9 0.0(8) . . . . ?
C9 N7 C11 C12 -75.3(9) . . . . ?
C11 N7 N8 Ag1 13.3(9) . . . 3_666 ?
C11 N7 N8 N9 -174.0(6) . . . . ?
C11 N7 C9 C10 173.6(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2016-03-11
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 7.550
_oxdiff_exptl_absorpt_empirical_full_min 0.395
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1478840'
_audit_update_record             
;
2016-07-10 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H36 Ag2 N18, 2(F6 P)'
_chemical_formula_sum            'C24 H36 Ag2 F12 N18 P2'
_chemical_formula_weight         1082.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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 1 21/c 1'
_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                   9.3300(7)
_cell_length_b                   8.9872(7)
_cell_length_c                   22.964(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.110(7)
_cell_angle_gamma                90.00
_cell_volume                     1910.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1756
_cell_measurement_theta_min      4.7590
_cell_measurement_theta_max      70.4790

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1076
_exptl_absorpt_coefficient_mu    9.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.69097
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2740
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6924
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_av_sigmaI/netI    0.0900
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.88
_diffrn_reflns_theta_max         67.08
_reflns_number_total             3408
_reflns_number_gt                2510
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_computing_structure_refinement  'ShelXT (Sheldrick, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'

_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)+(0.1499P)²+17.5634P] 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         3408
_refine_ls_number_parameters     275
_refine_ls_number_restraints     224
_refine_ls_R_factor_all          0.1338
_refine_ls_R_factor_gt           0.1082
_refine_ls_wR_factor_ref         0.2995
_refine_ls_wR_factor_gt          0.2750
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.019
_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 0.65888(10) 0.41220(11) 0.55548(4) 0.0514(3) Uani 1 1 d . . .
N1 N 0.6122(9) 0.2039(11) 0.4352(4) 0.042(2) Uani 1 1 d . . .
N2 N 0.5777(9) 0.3287(10) 0.4617(4) 0.041(2) Uani 1 1 d . . .
N3 N 0.5186(10) 0.4210(12) 0.4191(4) 0.046(2) Uani 1 1 d . . .
N4 N 0.8224(11) 0.5926(13) 0.5261(5) 0.056(3) Uani 1 1 d . . .
N5 N 0.9477(11) 0.6304(11) 0.5545(4) 0.053(3) Uani 1 1 d D . .
N6 N 1.0250(12) 0.7181(14) 0.5228(7) 0.068(4) Uani 1 1 d . . .
N7 N 0.8288(9) 1.0758(8) 0.6799(3) 0.080(4) Uani 1 1 d GDU . .
C11 C 0.7419(14) 1.1503(13) 0.7173(4) 0.108(6) Uani 1 1 d GDU . .
H11 H 0.7301 1.1228 0.7555 0.129 Uiso 1 1 calc R . .
C12 C 0.6762(12) 1.2742(12) 0.6863(5) 0.105(6) Uani 1 1 d GDU . .
H12 H 0.6138 1.3421 0.7005 0.126 Uiso 1 1 calc R . .
N9 N 0.7225(10) 1.2763(9) 0.6296(4) 0.060(3) Uani 1 1 d GDU . .
N8 N 0.8168(10) 1.1536(10) 0.6257(3) 0.086(5) Uani 1 1 d GD . .
C1 C 0.5748(14) 0.2127(16) 0.3761(6) 0.052(3) Uani 1 1 d . . .
H1 H 0.5878 0.1406 0.3482 0.063 Uiso 1 1 calc R . .
C2 C 0.5143(13) 0.3498(15) 0.3668(6) 0.050(3) Uani 1 1 d . . .
H2 H 0.4763 0.3884 0.3306 0.060 Uiso 1 1 calc R . .
C3 C 0.6724(11) 0.0755(13) 0.4706(6) 0.042(3) Uani 1 1 d . . .
H3A H 0.7227 0.1111 0.5075 0.051 Uiso 1 1 calc R . .
H3B H 0.7418 0.0237 0.4498 0.051 Uiso 1 1 calc R . .
C4 C 0.5541(11) -0.0315(14) 0.4828(6) 0.043(3) Uani 1 1 d . . .
H4A H 0.5052 -0.0666 0.4456 0.051 Uiso 1 1 calc R . .
H4B H 0.5984 -0.1169 0.5037 0.051 Uiso 1 1 calc R . .
C5 C 0.8173(15) 0.6572(17) 0.4731(6) 0.057(3) Uani 1 1 d . . .
H5 H 0.7426 0.6505 0.4424 0.069 Uiso 1 1 calc R . .
C6 C 0.9448(15) 0.7353(17) 0.4733(8) 0.068(4) Uani 1 1 d . . .
H6 H 0.9693 0.7922 0.4421 0.082 Uiso 1 1 calc R . .
C7 C 0.9913(15) 0.5876(14) 0.6171(5) 0.063(4) Uani 1 1 d D . .
H7A H 1.0802 0.5306 0.6198 0.075 Uiso 1 1 calc R . .
H7B H 0.9173 0.5243 0.6301 0.075 Uiso 1 1 calc R . .
C8 C 1.014(2) 0.7227(18) 0.6576(9) 0.117(7) Uani 1 1 d DU . .
H8A H 1.0174 0.6904 0.6981 0.140 Uiso 1 1 calc R . .
H8B H 1.1056 0.7691 0.6530 0.140 Uiso 1 1 calc R . .
C9 C 0.8929(17) 0.8363(17) 0.6442(6) 0.076(4) Uani 1 1 d DU . .
H9A H 0.9008 0.8879 0.6076 0.091 Uiso 1 1 calc R . .
H9B H 0.7988 0.7893 0.6419 0.091 Uiso 1 1 calc R . .
C10 C 0.9170(14) 0.9405(12) 0.6955(6) 0.126(7) Uani 1 1 d DU . .
H10A H 0.8876 0.8939 0.7302 0.151 Uiso 1 1 calc R . .
H10B H 1.0185 0.9665 0.7034 0.151 Uiso 1 1 calc R . .
P1 P 0.7388(6) 0.6843(6) 0.7984(2) 0.0515(17) Uani 0.466(6) 1 d PD A 1
F1 F 0.6670(2) 0.8083(2) 0.75629(8) 0.080(5) Uani 0.466(6) 1 d PD A 1
F2 F 0.86803(19) 0.7884(2) 0.81749(9) 0.124(10) Uani 0.466(6) 1 d PD A 1
F3 F 0.6574(2) 0.7456(2) 0.84864(9) 0.085(4) Uani 0.466(6) 1 d PDU A 1
F4 F 0.8075(2) 0.5597(3) 0.83948(11) 0.086(4) Uani 0.466(6) 1 d PDU A 1
F5 F 0.6065(3) 0.5796(3) 0.77829(12) 0.101(5) Uani 0.466(6) 1 d PD A 1
F6 F 0.8172(3) 0.6224(3) 0.74713(10) 0.105(6) Uani 0.466(6) 1 d PD A 1
P1A P 0.6767(6) 0.6934(6) 0.8086(2) 0.0515(17) Uani 0.534(6) 1 d PD A 2
F3A F 0.5835(2) 0.7428(2) 0.85660(8) 0.085(4) Uani 0.534(6) 1 d PDU A 2
F2A F 0.7836(2) 0.8241(2) 0.82539(9) 0.124(10) Uani 0.534(6) 1 d PD A 2
F1A F 0.5861(2) 0.7957(2) 0.76295(9) 0.080(5) Uani 0.534(6) 1 d PD A 2
F6A F 0.7705(2) 0.6436(3) 0.75990(10) 0.105(6) Uani 0.534(6) 1 d PD A 2
F5A F 0.5704(3) 0.5622(3) 0.79110(11) 0.101(5) Uani 0.534(6) 1 d PD A 2
F4A F 0.7679(3) 0.5907(3) 0.85355(11) 0.086(4) Uani 0.534(6) 1 d PDU 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 N9 2.12(4) 1_545 ?
Ag1 N2 2.317(10) . ?
Ag1 N3 2.360(11) 3_666 ?
Ag1 N4 2.380(11) . ?
N1 N2 1.335(14) . ?
N1 C1 1.360(16) . ?
N1 C3 1.483(15) . ?
N2 N3 1.348(13) . ?
N3 C2 1.356(17) . ?
N3 Ag1 2.360(11) 3_666 ?
N4 N5 1.311(14) . ?
N4 C5 1.344(18) . ?
N5 N6 1.343(16) . ?
N5 C7 1.493(9) . ?
N6 C6 1.29(2) . ?
N7 C11 1.4200 . ?
N7 N8 1.4200 . ?
N7 C10 1.487(7) . ?
C11 C12 1.4200 . ?
C11 H11 0.9300 . ?
C12 N9 1.4200 . ?
C12 H12 0.9300 . ?
N9 N8 1.4200 . ?
N9 Ag1 2.120(7) 1_565 ?
C1 C2 1.362(19) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.516(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C4 1.47(2) 3_656 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.38(2) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.529(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.525(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.501(9) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
P1 F2 1.546(6) . ?
P1 F4 1.551(6) . ?
P1 F3 1.558(5) . ?
P1 F6 1.563(6) . ?
P1 F1 1.570(6) . ?
P1 F5 1.575(6) . ?
P1A F3A 1.551(5) . ?
P1A F4A 1.557(5) . ?
P1A F2A 1.558(5) . ?
P1A F5A 1.561(6) . ?
P1A F1A 1.562(5) . ?
P1A F6A 1.568(5) . ?

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 N2 125.9(7) 1_545 . ?
N9 Ag1 N3 107.6(13) 1_545 3_666 ?
N2 Ag1 N3 106.1(3) . 3_666 ?
N9 Ag1 N4 119.6(11) 1_545 . ?
N2 Ag1 N4 96.0(4) . . ?
N3 Ag1 N4 97.6(4) 3_666 . ?
N2 N1 C1 111.1(10) . . ?
N2 N1 C3 120.0(10) . . ?
C1 N1 C3 128.7(11) . . ?
N1 N2 N3 106.6(10) . . ?
N1 N2 Ag1 128.8(7) . . ?
N3 N2 Ag1 122.2(7) . . ?
N2 N3 C2 108.5(10) . . ?
N2 N3 Ag1 116.6(8) . 3_666 ?
C2 N3 Ag1 125.0(8) . 3_666 ?
N5 N4 C5 105.5(11) . . ?
N5 N4 Ag1 126.8(8) . . ?
C5 N4 Ag1 126.8(10) . . ?
N4 N5 N6 112.8(11) . . ?
N4 N5 C7 122.2(10) . . ?
N6 N5 C7 124.9(11) . . ?
C6 N6 N5 104.9(11) . . ?
C11 N7 N8 108.0 . . ?
C11 N7 C10 125.5(4) . . ?
N8 N7 C10 126.5(4) . . ?
C12 C11 N7 108.0 . . ?
C12 C11 H11 126.0 . . ?
N7 C11 H11 126.0 . . ?
C11 C12 N9 108.0 . . ?
C11 C12 H12 126.0 . . ?
N9 C12 H12 126.0 . . ?
N8 N9 C12 108.0 . . ?
N8 N9 Ag1 120.7(5) . 1_565 ?
C12 N9 Ag1 131.0(5) . 1_565 ?
N9 N8 N7 108.0 . . ?
N1 C1 C2 105.0(12) . . ?
N1 C1 H1 127.5 . . ?
C2 C1 H1 127.5 . . ?
N3 C2 C1 108.8(12) . . ?
N3 C2 H2 125.6 . . ?
C1 C2 H2 125.6 . . ?
N1 C3 C4 111.1(9) . . ?
N1 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
N1 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C4 C4 C3 114.8(13) 3_656 . ?
C4 C4 H4A 108.6 3_656 . ?
C3 C4 H4A 108.6 . . ?
C4 C4 H4B 108.6 3_656 . ?
C3 C4 H4B 108.6 . . ?
H4A C4 H4B 107.5 . . ?
N4 C5 C6 106.5(13) . . ?
N4 C5 H5 126.7 . . ?
C6 C5 H5 126.7 . . ?
N6 C6 C5 110.2(13) . . ?
N6 C6 H6 124.9 . . ?
C5 C6 H6 124.9 . . ?
N5 C7 C8 112.4(12) . . ?
N5 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
N5 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
C9 C8 C7 111.4(13) . . ?
C9 C8 H8A 109.3 . . ?
C7 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 102.9(10) . . ?
C10 C9 H9A 111.2 . . ?
C8 C9 H9A 111.2 . . ?
C10 C9 H9B 111.2 . . ?
C8 C9 H9B 111.2 . . ?
H9A C9 H9B 109.1 . . ?
N7 C10 C9 107.2(8) . . ?
N7 C10 H10A 110.3 . . ?
C9 C10 H10A 110.3 . . ?
N7 C10 H10B 110.3 . . ?
C9 C10 H10B 110.3 . . ?
H10A C10 H10B 108.5 . . ?
F2 P1 F4 90.9(3) . . ?
F2 P1 F3 90.6(3) . . ?
F4 P1 F3 90.4(3) . . ?
F2 P1 F6 90.4(3) . . ?
F4 P1 F6 90.3(3) . . ?
F3 P1 F6 178.7(4) . . ?
F2 P1 F1 90.2(3) . . ?
F4 P1 F1 178.9(4) . . ?
F3 P1 F1 89.7(3) . . ?
F6 P1 F1 89.6(3) . . ?
F2 P1 F5 179.3(4) . . ?
F4 P1 F5 89.8(3) . . ?
F3 P1 F5 89.6(3) . . ?
F6 P1 F5 89.4(3) . . ?
F1 P1 F5 89.1(3) . . ?
F3A P1A F4A 90.4(3) . . ?
F3A P1A F2A 90.4(3) . . ?
F4A P1A F2A 90.1(3) . . ?
F3A P1A F5A 90.3(3) . . ?
F4A P1A F5A 90.0(3) . . ?
F2A P1A F5A 179.3(4) . . ?
F3A P1A F1A 90.2(3) . . ?
F4A P1A F1A 179.4(4) . . ?
F2A P1A F1A 90.0(3) . . ?
F5A P1A F1A 89.8(3) . . ?
F3A P1A F6A 179.8(4) . . ?
F4A P1A F6A 89.8(3) . . ?
F2A P1A F6A 89.7(3) . . ?
F5A P1A F6A 89.6(3) . . ?
F1A P1A F6A 89.6(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
C1 N1 N2 N3 -0.8(12) . . . . ?
C3 N1 N2 N3 -176.5(8) . . . . ?
C1 N1 N2 Ag1 -163.3(8) . . . . ?
C3 N1 N2 Ag1 21.1(13) . . . . ?
N9 Ag1 N2 N1 -30(2) 1_545 . . . ?
N3 Ag1 N2 N1 -157.0(8) 3_666 . . . ?
N4 Ag1 N2 N1 103.3(9) . . . . ?
N9 Ag1 N2 N3 169.6(19) 1_545 . . . ?
N3 Ag1 N2 N3 43.0(10) 3_666 . . . ?
N4 Ag1 N2 N3 -56.7(8) . . . . ?
N1 N2 N3 C2 1.5(12) . . . . ?
Ag1 N2 N3 C2 165.4(8) . . . . ?
N1 N2 N3 Ag1 149.1(7) . . . 3_666 ?
Ag1 N2 N3 Ag1 -47.1(9) . . . 3_666 ?
N9 Ag1 N4 N5 -7.4(18) 1_545 . . . ?
N2 Ag1 N4 N5 -145.0(11) . . . . ?
N3 Ag1 N4 N5 107.8(11) 3_666 . . . ?
N9 Ag1 N4 C5 160.3(16) 1_545 . . . ?
N2 Ag1 N4 C5 22.7(12) . . . . ?
N3 Ag1 N4 C5 -84.5(12) 3_666 . . . ?
C5 N4 N5 N6 0.5(16) . . . . ?
Ag1 N4 N5 N6 170.3(9) . . . . ?
C5 N4 N5 C7 176.3(12) . . . . ?
Ag1 N4 N5 C7 -13.9(17) . . . . ?
N4 N5 N6 C6 0.1(16) . . . . ?
C7 N5 N6 C6 -175.5(13) . . . . ?
N8 N7 C11 C12 0.0 . . . . ?
C10 N7 C11 C12 179.7(2) . . . . ?
N7 C11 C12 N9 0.0 . . . . ?
C11 C12 N9 N8 0.0 . . . . ?
C11 C12 N9 Ag1 173.7(7) . . . 1_565 ?
C12 N9 N8 N7 0.0 . . . . ?
Ag1 N9 N8 N7 -174.5(7) 1_565 . . . ?
C11 N7 N8 N9 0.0 . . . . ?
C10 N7 N8 N9 -179.7(3) . . . . ?
N2 N1 C1 C2 -0.2(13) . . . . ?
C3 N1 C1 C2 175.0(10) . . . . ?
N2 N3 C2 C1 -1.7(14) . . . . ?
Ag1 N3 C2 C1 -145.8(9) 3_666 . . . ?
N1 C1 C2 N3 1.1(14) . . . . ?
N2 N1 C3 C4 93.3(12) . . . . ?
C1 N1 C3 C4 -81.5(14) . . . . ?
N1 C3 C4 C4 -62.2(17) . . . 3_656 ?
N5 N4 C5 C6 -0.9(16) . . . . ?
Ag1 N4 C5 C6 -170.7(10) . . . . ?
N5 N6 C6 C5 -0.7(17) . . . . ?
N4 C5 C6 N6 1.1(18) . . . . ?
N4 N5 C7 C8 -116.8(15) . . . . ?
N6 N5 C7 C8 58.5(19) . . . . ?
N5 C7 C8 C9 44(2) . . . . ?
C7 C8 C9 C10 168.3(16) . . . . ?
C11 N7 C10 C9 135.7(11) . . . . ?
N8 N7 C10 C9 -44.7(12) . . . . ?
C8 C9 C10 N7 166.1(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        67.08
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.641
_refine_diff_density_min         -1.250
_refine_diff_density_rms         0.195
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1478842'
_audit_update_record             
;
2016-05-24 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_audit_creation_date             2016-01-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C20 H32 Ag4 N16 O12)'
_chemical_formula_sum            'C10 H16 Ag2 N8 O6'
_chemical_formula_weight         560.05
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   5.5307(3)
_cell_length_b                   13.1818(7)
_cell_length_c                   12.0644(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.618(5)
_cell_angle_gamma                90
_cell_volume                     876.70(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1667
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      27.4540
_cell_measurement_theta_min      4.2130
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.281
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57134
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3586
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         3.525
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2740
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     40.00 100.00   1.00    1.95    --   11.08 178.00-120.00   60
  2  ω    -60.00  32.00   1.00    1.95    --   11.08 -38.00  30.00   92
  3  ω      1.00  30.00   1.00    1.95    --  -11.24 -99.00   0.00   29
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0905301000
_diffrn_orient_matrix_UB_12      0.0380191000
_diffrn_orient_matrix_UB_13      -0.0080369000
_diffrn_orient_matrix_UB_21      -0.0106667000
_diffrn_orient_matrix_UB_22      0.0015575000
_diffrn_orient_matrix_UB_23      0.0581754000
_diffrn_orient_matrix_UB_31      0.0908622000
_diffrn_orient_matrix_UB_32      0.0380126000
_diffrn_orient_matrix_UB_33      0.0056041000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1311
_reflns_number_total             1550
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1550
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0343
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0308P)²+0.0267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0806
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.11313(6) 0.65907(3) 0.19037(3) 0.02763(17) Uani 1 1 d . . . . .
O1 O 0.4160(6) 0.5242(2) 0.2335(3) 0.0394(9) Uani 1 1 d . . . . .
O2 O 0.5963(6) 0.6600(2) 0.1833(3) 0.0385(10) Uani 1 1 d . . . . .
O3 O 0.7945(6) 0.5189(3) 0.1997(3) 0.0388(9) Uani 1 1 d . . . . .
N1 N 0.1492(6) 0.7653(2) 0.4335(3) 0.0217(8) Uani 1 1 d . . . . .
N2 N 0.0425(7) 0.7657(3) 0.3310(3) 0.0240(9) Uani 1 1 d . . . . .
N3 N 0.0505(8) 0.8298(3) 0.5015(3) 0.0277(9) Uani 1 1 d . . . . .
N4 N 0.6039(6) 0.5671(3) 0.2052(3) 0.0259(9) Uani 1 1 d . . . . .
C1 C -0.1335(9) 0.8338(3) 0.3324(4) 0.0303(12) Uani 1 1 d . . . . .
H1 H -0.2408 0.8518 0.2723 0.036 Uiso 1 1 calc R . . . .
C2 C -0.1304(9) 0.8733(3) 0.4374(4) 0.0269(11) Uani 1 1 d . . . . .
H2 H -0.2364 0.9222 0.4607 0.032 Uiso 1 1 calc R . . . .
C3 C 0.3392(8) 0.6938(3) 0.4720(3) 0.0244(10) Uani 1 1 d . . . . .
H3A H 0.4621 0.7291 0.5193 0.029 Uiso 1 1 calc R . . . .
H3B H 0.4157 0.6673 0.4085 0.029 Uiso 1 1 calc R . . . .
C4 C 0.2384(8) 0.6063(3) 0.5364(4) 0.0263(10) Uani 1 1 d . . . . .
H4A H 0.3705 0.5615 0.5618 0.032 Uiso 1 1 calc R . . . .
H4B H 0.1681 0.6330 0.6015 0.032 Uiso 1 1 calc R . . . .
C5 C 0.0469(9) 0.5455(3) 0.4678(4) 0.0274(11) Uani 1 1 d . . . . .
H5A H 0.1151 0.5210 0.4012 0.033 Uiso 1 1 calc R . . . .
H5B H -0.0883 0.5897 0.4449 0.033 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 O1 2.469(3) . ?
Ag1 O3 2.561(3) 1_455 ?
Ag1 N2 2.261(3) . ?
Ag1 N3 2.282(4) 4_575 ?
O1 N4 1.255(4) . ?
O2 N4 1.253(5) . ?
O3 Ag1 2.561(3) 1_655 ?
O3 N4 1.237(5) . ?
N1 N2 1.327(5) . ?
N1 N3 1.329(5) . ?
N1 C3 1.459(5) . ?
N2 C1 1.326(6) . ?
N3 Ag1 2.282(4) 4_576 ?
N3 C2 1.342(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.368(7) . ?
C2 H2 0.9300 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.522(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.519(7) . ?
C5 C5 1.543(8) 3_566 ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?

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
O1 Ag1 O3 85.92(11) . 1_455 ?
N2 Ag1 O1 116.40(13) . . ?
N2 Ag1 O3 104.72(11) . 1_455 ?
N2 Ag1 N3 133.47(13) . 4_575 ?
N3 Ag1 O1 107.61(13) 4_575 . ?
N3 Ag1 O3 92.31(13) 4_575 1_455 ?
N4 O1 Ag1 100.4(3) . . ?
N4 O3 Ag1 103.0(3) . 1_655 ?
N2 N1 N3 113.5(3) . . ?
N2 N1 C3 123.6(3) . . ?
N3 N1 C3 122.5(4) . . ?
N1 N2 Ag1 127.3(3) . . ?
C1 N2 Ag1 127.0(3) . . ?
C1 N2 N1 105.2(3) . . ?
N1 N3 Ag1 128.3(3) . 4_576 ?
N1 N3 C2 104.0(4) . . ?
C2 N3 Ag1 126.4(3) . 4_576 ?
O2 N4 O1 118.9(4) . . ?
O3 N4 O1 120.8(4) . . ?
O3 N4 O2 120.3(4) . . ?
N2 C1 H1 125.8 . . ?
N2 C1 C2 108.3(4) . . ?
C2 C1 H1 125.8 . . ?
N3 C2 C1 108.9(4) . . ?
N3 C2 H2 125.5 . . ?
C1 C2 H2 125.5 . . ?
N1 C3 H3A 109.3 . . ?
N1 C3 H3B 109.3 . . ?
N1 C3 C4 111.6(4) . . ?
H3A C3 H3B 108.0 . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
C3 C4 H4A 109.0 . . ?
C3 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C5 C4 C3 113.0(4) . . ?
C5 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C4 C5 C5 112.6(5) . 3_566 ?
C4 C5 H5A 109.1 . . ?
C4 C5 H5B 109.1 . . ?
C5 C5 H5A 109.1 3_566 . ?
C5 C5 H5B 109.1 3_566 . ?
H5A C5 H5B 107.8 . . ?

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
Ag1 O1 N4 O2 10.5(4) . . . . ?
Ag1 O1 N4 O3 -170.0(3) . . . . ?
Ag1 O3 N4 O1 -165.3(3) 1_655 . . . ?
Ag1 O3 N4 O2 14.1(4) 1_655 . . . ?
Ag1 N2 C1 C2 172.5(3) . . . . ?
Ag1 N3 C2 C1 -168.6(3) 4_576 . . . ?
N1 N2 C1 C2 -0.4(5) . . . . ?
N1 N3 C2 C1 -0.4(5) . . . . ?
N1 C3 C4 C5 60.0(5) . . . . ?
N2 N1 N3 Ag1 168.0(3) . . . 4_576 ?
N2 N1 N3 C2 0.2(5) . . . . ?
N2 N1 C3 C4 -99.0(4) . . . . ?
N2 C1 C2 N3 0.5(5) . . . . ?
N3 N1 N2 Ag1 -172.7(2) . . . . ?
N3 N1 N2 C1 0.1(5) . . . . ?
N3 N1 C3 C4 74.2(5) . . . . ?
C3 N1 N2 Ag1 1.0(5) . . . . ?
C3 N1 N2 C1 173.9(4) . . . . ?
C3 N1 N3 Ag1 -5.8(5) . . . 4_576 ?
C3 N1 N3 C2 -173.6(4) . . . . ?
C3 C4 C5 C5 177.7(4) . . . 3_566 ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2016-01-15
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.740
_oxdiff_exptl_absorpt_empirical_full_min 0.700
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1481711'
_audit_update_record             
;
2016-05-24 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H36 Ag2 B2 F8 N18'
_chemical_formula_weight         966.07

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'

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

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.5701(3)
_cell_length_b                   10.9940(5)
_cell_length_c                   12.2207(6)
_cell_angle_alpha                110.593(4)
_cell_angle_beta                 98.841(4)
_cell_angle_gamma                103.512(4)
_cell_volume                     894.10(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2890
_cell_measurement_theta_min      4.0360
_cell_measurement_theta_max      26.1850

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             482
_exptl_absorpt_coefficient_mu    1.185
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_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  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6887
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0698
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.43
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3142
_reflns_number_gt                2587
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'

_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)+(0.0803P)²+2.9509P] 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         3142
_refine_ls_number_parameters     257
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0618
_refine_ls_wR_factor_ref         0.1612
_refine_ls_wR_factor_gt          0.1484
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.602
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.54827(11) 0.37936(9) 0.35035(7) 0.0386(4) Uani 1 1 d . . .
N1 N 0.3554(11) 0.5059(8) 0.3498(7) 0.0295(18) Uani 1 1 d . A .
N2 N 0.2835(13) 0.5572(10) 0.4406(8) 0.040(2) Uani 1 1 d . . .
N8 N 0.8517(13) 0.2904(9) 0.2235(7) 0.035(2) Uani 1 1 d . . .
F3 F -0.0477(11) 0.7672(11) 0.1704(8) 0.082(3) Uani 1 1 d . . .
N9 N 0.9162(11) 0.2710(9) 0.1254(7) 0.0295(19) Uani 1 1 d . . .
N7 N 0.7315(12) 0.3583(9) 0.2178(7) 0.0326(19) Uani 1 1 d . . .
F1 F -0.3191(13) 0.6949(10) 0.2145(8) 0.080(2) Uani 1 1 d U . .
N3 N 0.1741(13) 0.6225(10) 0.4050(8) 0.042(2) Uani 1 1 d DU . .
N4 N -0.3618(13) 0.9091(9) 0.6128(8) 0.043(2) Uani 1 1 d D . .
F2 F -0.2875(15) 0.8366(11) 0.1148(10) 0.096(3) Uani 1 1 d . . .
N5 N -0.3602(15) 1.0357(10) 0.6344(9) 0.047(2) Uani 1 1 d . A .
N6 N -0.4399(14) 0.8545(10) 0.6820(8) 0.041(2) Uani 1 1 d . . .
F4 F -0.2872(16) 0.6234(10) 0.0232(8) 0.088(3) Uani 1 1 d . . .
C2 C 0.2939(14) 0.5415(11) 0.2609(8) 0.031(2) Uani 1 1 d . . .
H2 H 0.3254 0.5181 0.1873 0.037 Uiso 1 1 calc R A .
C11 C 1.0426(15) 0.1878(11) 0.1006(9) 0.037(2) Uani 1 1 d . . .
H11A H 1.1029 0.1848 0.1752 0.044 Uiso 1 1 calc R . .
H11B H 1.1399 0.2295 0.0700 0.044 Uiso 1 1 calc R . .
C1 C 0.1795(15) 0.6163(11) 0.2943(9) 0.034(2) Uani 1 1 d . A .
H1 H 0.1179 0.6551 0.2504 0.040 Uiso 1 1 calc R . .
C12 C 0.9369(15) 0.0443(12) 0.0093(10) 0.039(3) Uani 1 1 d . . .
H12A H 0.8334 0.0051 0.0370 0.047 Uiso 1 1 calc R . .
H12B H 0.8847 0.0468 -0.0673 0.047 Uiso 1 1 calc R . .
C10 C 0.7193(16) 0.3820(12) 0.1160(9) 0.040(3) Uani 1 1 d . . .
H10 H 0.6446 0.4287 0.0915 0.049 Uiso 1 1 calc R . .
C9 C 0.8356(16) 0.3252(13) 0.0563(9) 0.041(3) Uani 1 1 d . . .
H9 H 0.8557 0.3239 -0.0172 0.049 Uiso 1 1 calc R . .
C8 C -0.4429(15) 1.0653(12) 0.7241(11) 0.043(3) Uani 1 1 d . . .
H8 H -0.4644 1.1482 0.7613 0.051 Uiso 1 1 calc R A .
C7 C -0.4916(16) 0.9552(12) 0.7534(10) 0.041(3) Uani 1 1 d . A .
H7 H -0.5514 0.9512 0.8137 0.050 Uiso 1 1 calc R . .
C6 C -0.2553(18) 0.838(2) 0.5308(13) 0.041(4) Uani 0.654(11) 1 d PDU A 1
H6A H -0.3077 0.7401 0.5061 0.049 Uiso 0.654(11) 1 calc PR A 1
H6B H -0.2737 0.8562 0.4585 0.049 Uiso 0.654(11) 1 calc PR A 1
C5 C -0.0516(17) 0.8793(15) 0.5859(12) 0.035(3) Uani 0.654(11) 1 d PDU A 1
H5A H -0.0344 0.8550 0.6549 0.042 Uiso 0.654(11) 1 calc PR A 1
H5B H -0.0024 0.9780 0.6163 0.042 Uiso 0.654(11) 1 calc PR A 1
C3' C 0.172(3) 0.792(2) 0.523(2) 0.042(4) Uani 0.346(11) 1 d PDU A 2
H3'A H 0.1971 0.7991 0.6054 0.051 Uiso 0.346(11) 1 calc PR A 2
H3'B H 0.2472 0.8729 0.5168 0.051 Uiso 0.346(11) 1 calc PR A 2
B1 B -0.236(2) 0.7329(15) 0.1350(13) 0.044(3) Uani 1 1 d . . .
C4 C 0.067(2) 0.8181(13) 0.5042(13) 0.034(3) Uani 0.654(11) 1 d PDU A 1
H4A H 0.0316 0.8255 0.4276 0.040 Uiso 0.654(11) 1 calc PR A 1
H4B H 0.1982 0.8719 0.5416 0.040 Uiso 0.654(11) 1 calc PR A 1
C5' C -0.142(3) 0.802(3) 0.547(2) 0.035(3) Uani 0.346(11) 1 d PDU A 2
H5'A H -0.0565 0.8871 0.6103 0.042 Uiso 0.346(11) 1 calc PR A 2
H5'B H -0.1771 0.7391 0.5848 0.042 Uiso 0.346(11) 1 calc PR A 2
C3 C 0.047(2) 0.6730(14) 0.4800(14) 0.042(4) Uani 0.654(11) 1 d PDU A 1
H3A H -0.0820 0.6175 0.4380 0.051 Uiso 0.654(11) 1 calc PR A 1
H3B H 0.0777 0.6639 0.5562 0.051 Uiso 0.654(11) 1 calc PR A 1
C4' C -0.039(3) 0.745(3) 0.4575(19) 0.034(3) Uani 0.346(11) 1 d PDU A 2
H4'A H -0.0555 0.7772 0.3933 0.040 Uiso 0.346(11) 1 calc PR A 2
H4'B H -0.0876 0.6462 0.4219 0.040 Uiso 0.346(11) 1 calc PR A 2
C6' C -0.316(4) 0.831(4) 0.5001(17) 0.041(4) Uani 0.346(11) 1 d PDU A 2
H6'A H -0.2918 0.8846 0.4528 0.049 Uiso 0.346(11) 1 calc PR A 2
H6'B H -0.4173 0.7466 0.4508 0.049 Uiso 0.346(11) 1 calc PR 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
Ag01 N1 2.241(8) . ?
Ag01 N7 2.276(8) . ?
Ag01 N6 2.375(10) 2_566 ?
Ag01 N2 2.442(8) 2_666 ?
N1 N2 1.316(11) . ?
N1 C2 1.334(13) . ?
N2 N3 1.333(11) . ?
N2 Ag01 2.442(8) 2_666 ?
N8 N7 1.313(12) . ?
N8 N9 1.329(11) . ?
F3 B1 1.341(16) . ?
N9 C9 1.344(13) . ?
N9 C11 1.465(13) . ?
N7 C10 1.351(13) . ?
F1 B1 1.367(15) . ?
N3 C1 1.338(13) . ?
N3 C3 1.493(11) . ?
N3 C3' 1.919(11) . ?
N4 N5 1.318(13) . ?
N4 N6 1.331(12) . ?
N4 C6' 1.485(14) . ?
N4 C6 1.503(12) . ?
F2 B1 1.375(16) . ?
N5 C8 1.325(15) . ?
N6 C7 1.329(14) . ?
N6 Ag01 2.375(10) 2_566 ?
F4 B1 1.389(17) . ?
C2 C1 1.341(14) . ?
C2 H2 0.9300 . ?
C11 C12 1.508(15) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C1 H1 0.9300 . ?
C12 C12 1.50(2) 2_755 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C10 C9 1.353(15) . ?
C10 H10 0.9300 . ?
C9 H9 0.9300 . ?
C8 C7 1.367(17) . ?
C8 H8 0.9300 . ?
C7 H7 0.9300 . ?
C6 C5 1.475(13) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C5 C4 1.530(11) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C3' C4' 1.544(15) . ?
C3' H3'A 0.9700 . ?
C3' H3'B 0.9700 . ?
C4 C3 1.483(13) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5' C4' 1.490(14) . ?
C5' C6' 1.499(15) . ?
C5' H5'A 0.9700 . ?
C5' H5'B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4' H4'A 0.9700 . ?
C4' H4'B 0.9700 . ?
C6' H6'A 0.9700 . ?
C6' H6'B 0.9700 . ?

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 Ag01 N7 118.5(3) . . ?
N1 Ag01 N6 122.9(3) . 2_566 ?
N7 Ag01 N6 97.8(3) . 2_566 ?
N1 Ag01 N2 108.7(3) . 2_666 ?
N7 Ag01 N2 114.6(3) . 2_666 ?
N6 Ag01 N2 91.4(3) 2_566 2_666 ?
N2 N1 C2 108.9(8) . . ?
N2 N1 Ag01 124.0(6) . . ?
C2 N1 Ag01 127.1(6) . . ?
N1 N2 N3 106.0(7) . . ?
N1 N2 Ag01 121.4(6) . 2_666 ?
N3 N2 Ag01 125.1(6) . 2_666 ?
N7 N8 N9 106.8(7) . . ?
N8 N9 C9 110.5(8) . . ?
N8 N9 C11 119.8(8) . . ?
C9 N9 C11 129.3(8) . . ?
N8 N7 C10 109.6(8) . . ?
N8 N7 Ag01 118.1(6) . . ?
C10 N7 Ag01 131.2(7) . . ?
N2 N3 C1 111.3(8) . . ?
N2 N3 C3 119.2(9) . . ?
C1 N3 C3 129.0(10) . . ?
N2 N3 C3' 117.8(11) . . ?
C1 N3 C3' 117.4(12) . . ?
C3 N3 C3' 42.2(9) . . ?
N5 N4 N6 115.7(8) . . ?
N5 N4 C6' 118.2(18) . . ?
N6 N4 C6' 124.8(19) . . ?
N5 N4 C6 122.7(12) . . ?
N6 N4 C6 120.8(11) . . ?
C6' N4 C6 20.0(9) . . ?
N4 N5 C8 103.1(9) . . ?
C7 N6 N4 102.7(9) . . ?
C7 N6 Ag01 126.2(8) . 2_566 ?
N4 N6 Ag01 128.7(6) . 2_566 ?
N1 C2 C1 109.4(8) . . ?
N1 C2 H2 125.3 . . ?
C1 C2 H2 125.3 . . ?
N9 C11 C12 111.2(8) . . ?
N9 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
N9 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
N3 C1 C2 104.4(9) . . ?
N3 C1 H1 127.8 . . ?
C2 C1 H1 127.8 . . ?
C12 C12 C11 111.3(11) 2_755 . ?
C12 C12 H12A 109.4 2_755 . ?
C11 C12 H12A 109.4 . . ?
C12 C12 H12B 109.4 2_755 . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
N7 C10 C9 107.4(10) . . ?
N7 C10 H10 126.3 . . ?
C9 C10 H10 126.3 . . ?
N9 C9 C10 105.7(9) . . ?
N9 C9 H9 127.2 . . ?
C10 C9 H9 127.2 . . ?
N5 C8 C7 109.4(10) . . ?
N5 C8 H8 125.3 . . ?
C7 C8 H8 125.3 . . ?
N6 C7 C8 109.1(10) . . ?
N6 C7 H7 125.4 . . ?
C8 C7 H7 125.4 . . ?
C5 C6 N4 114.2(10) . . ?
C5 C6 H6A 108.7 . . ?
N4 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
N4 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C6 C5 C4 116.8(10) . . ?
C6 C5 H5A 108.1 . . ?
C4 C5 H5A 108.1 . . ?
C6 C5 H5B 108.1 . . ?
C4 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C4' C3' N3 85.1(10) . . ?
C4' C3' H3'A 114.5 . . ?
N3 C3' H3'A 114.5 . . ?
C4' C3' H3'B 114.5 . . ?
N3 C3' H3'B 114.5 . . ?
H3'A C3' H3'B 111.6 . . ?
F3 B1 F1 111.7(12) . . ?
F3 B1 F2 110.3(11) . . ?
F1 B1 F2 112.8(10) . . ?
F3 B1 F4 104.8(10) . . ?
F1 B1 F4 110.2(11) . . ?
F2 B1 F4 106.5(12) . . ?
C3 C4 C5 114.3(10) . . ?
C3 C4 H4A 108.7 . . ?
C5 C4 H4A 108.7 . . ?
C3 C4 H4B 108.7 . . ?
C5 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C4' C5' C6' 116.8(14) . . ?
C4' C5' H5'A 108.1 . . ?
C6' C5' H5'A 108.1 . . ?
C4' C5' H5'B 108.1 . . ?
C6' C5' H5'B 108.1 . . ?
H5'A C5' H5'B 107.3 . . ?
C4 C3 N3 111.3(10) . . ?
C4 C3 H3A 109.4 . . ?
N3 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
N3 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C5' C4' C3' 108.8(13) . . ?
C5' C4' H4'A 109.9 . . ?
C3' C4' H4'A 109.9 . . ?
C5' C4' H4'B 109.9 . . ?
C3' C4' H4'B 109.9 . . ?
H4'A C4' H4'B 108.3 . . ?
N4 C6' C5' 102.7(12) . . ?
N4 C6' H6'A 111.2 . . ?
C5' C6' H6'A 111.2 . . ?
N4 C6' H6'B 111.2 . . ?
C5' C6' H6'B 111.2 . . ?
H6'A C6' H6'B 109.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7 Ag01 N1 N2 -160.3(8) . . . . ?
N6 Ag01 N1 N2 77.4(9) 2_566 . . . ?
N2 Ag01 N1 N2 -27.1(10) 2_666 . . . ?
N7 Ag01 N1 C2 20.0(10) . . . . ?
N6 Ag01 N1 C2 -102.4(9) 2_566 . . . ?
N2 Ag01 N1 C2 153.2(8) 2_666 . . . ?
C2 N1 N2 N3 1.2(12) . . . . ?
Ag01 N1 N2 N3 -178.6(7) . . . . ?
C2 N1 N2 Ag01 -149.9(7) . . . 2_666 ?
Ag01 N1 N2 Ag01 30.3(11) . . . 2_666 ?
N7 N8 N9 C9 -0.7(12) . . . . ?
N7 N8 N9 C11 -175.0(9) . . . . ?
N9 N8 N7 C10 0.1(12) . . . . ?
N9 N8 N7 Ag01 169.0(6) . . . . ?
N1 Ag01 N7 N8 176.2(7) . . . . ?
N6 Ag01 N7 N8 -49.5(8) 2_566 . . . ?
N2 Ag01 N7 N8 45.6(8) 2_666 . . . ?
N1 Ag01 N7 C10 -17.7(11) . . . . ?
N6 Ag01 N7 C10 116.6(10) 2_566 . . . ?
N2 Ag01 N7 C10 -148.3(9) 2_666 . . . ?
N1 N2 N3 C1 -1.6(13) . . . . ?
Ag01 N2 N3 C1 148.1(8) 2_666 . . . ?
N1 N2 N3 C3 170.2(11) . . . . ?
Ag01 N2 N3 C3 -40.1(14) 2_666 . . . ?
N1 N2 N3 C3' -141.5(12) . . . . ?
Ag01 N2 N3 C3' 8.2(15) 2_666 . . . ?
N6 N4 N5 C8 0.1(13) . . . . ?
C6' N4 N5 C8 167.4(14) . . . . ?
C6 N4 N5 C8 -170.0(10) . . . . ?
N5 N4 N6 C7 -0.1(13) . . . . ?
C6' N4 N6 C7 -166.4(13) . . . . ?
C6 N4 N6 C7 170.2(10) . . . . ?
N5 N4 N6 Ag01 162.7(8) . . . 2_566 ?
C6' N4 N6 Ag01 -3.6(17) . . . 2_566 ?
C6 N4 N6 Ag01 -27.0(14) . . . 2_566 ?
N2 N1 C2 C1 -0.4(12) . . . . ?
Ag01 N1 C2 C1 179.4(7) . . . . ?
N8 N9 C11 C12 98.9(11) . . . . ?
C9 N9 C11 C12 -74.2(14) . . . . ?
N2 N3 C1 C2 1.4(13) . . . . ?
C3 N3 C1 C2 -169.4(12) . . . . ?
C3' N3 C1 C2 141.4(10) . . . . ?
N1 C2 C1 N3 -0.6(12) . . . . ?
N9 C11 C12 C12 -175.6(11) . . . 2_755 ?
N8 N7 C10 C9 0.5(13) . . . . ?
Ag01 N7 C10 C9 -166.5(8) . . . . ?
N8 N9 C9 C10 1.0(13) . . . . ?
C11 N9 C9 C10 174.6(10) . . . . ?
N7 C10 C9 N9 -0.9(13) . . . . ?
N4 N5 C8 C7 0.0(12) . . . . ?
N4 N6 C7 C8 0.1(12) . . . . ?
Ag01 N6 C7 C8 -163.3(8) 2_566 . . . ?
N5 C8 C7 N6 0.0(14) . . . . ?
N5 N4 C6 C5 77.5(19) . . . . ?
N6 N4 C6 C5 -92.1(18) . . . . ?
C6' N4 C6 C5 160(8) . . . . ?
N4 C6 C5 C4 -175.8(13) . . . . ?
N2 N3 C3' C4' -143.8(16) . . . . ?
C1 N3 C3' C4' 78.8(18) . . . . ?
C3 N3 C3' C4' -40.0(15) . . . . ?
C6 C5 C4 C3 -75.1(19) . . . . ?
C5 C4 C3 N3 -177.1(12) . . . . ?
N2 N3 C3 C4 130.5(13) . . . . ?
C1 N3 C3 C4 -59.3(19) . . . . ?
C3' N3 C3 C4 30.1(15) . . . . ?
C6' C5' C4' C3' 150(3) . . . . ?
N3 C3' C4' C5' 150(2) . . . . ?
N5 N4 C6' C5' 118(2) . . . . ?
N6 N4 C6' C5' -76(3) . . . . ?
C6 N4 C6' C5' 9(5) . . . . ?
C4' C5' C6' N4 -170(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.627
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.136
