# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_20161010g4-2
_database_code_depnum_ccdc_archive 'CCDC 1880187'
loop_
_audit_author_name
_audit_author_address
'Jie Wang'
;Zhengzhou University
China
;
_audit_update_record             
;
2019-01-11 deposited with the CCDC.	2019-03-06 downloaded from the CCDC.
;
_audit_creation_date             2018-12-28
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.02.06 svn.r3384 for OlexSys, GUI svn.r5312)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C26 H42 Ag5 F3 N1.5 O2 S4'
_chemical_formula_sum            'C26 H42 Ag5 F3 N1.50 O2 S4'
_chemical_formula_weight         1132.20
_chemical_melting_point          ?
_chemical_oxdiff_formula         C26H41Ag5F3N1.5O2S4
_chemical_oxdiff_usercomment     st
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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                   12.28107(12)
_cell_length_b                   25.8112(3)
_cell_length_c                   11.74661(12)
_cell_angle_alpha                90
_cell_angle_beta                 102.7277(10)
_cell_angle_gamma                90
_cell_volume                     3632.06(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10857
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.3530
_cell_measurement_theta_min      4.2170
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    23.745
_exptl_absorpt_correction_T_max  0.239
_exptl_absorpt_correction_T_min  0.092
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.071
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2202
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 2 7 0.0869
0 -2 -7 0.0726
8 -2 -1 0.0483
-8 2 1 0.0604
-7 2 -1 0.0629
-6 10 2 0.0529
1 -6 7 0.0959
-6 -11 3 0.0773
-4 -14 -1 0.0692
-3 6 7 0.0812
5 -1 -7 0.0713
3 -15 1 0.0611
-4 14 2 0.0465
2 7 -7 0.0625
4 13 2 0.0456
-1 10 6 0.0649
-6 -2 6 0.0839
6 -4 3 0.0702
-6 -9 -1 0.0614
-7 -8 3 0.0719
6 1 4 0.0619
-3 -14 3 0.0809
-2 16 2 0.0420

_exptl_crystal_size_max          0.171
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.109
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0000 2.0000 7.0000 -0.0111 0.6291 0.7577
0.0000 -2.0000 -7.0000 -0.0039 -0.5089 -0.8009
8.0000 -2.0000 -1.0000 -0.0205 0.8945 -0.4798
-8.0000 2.0000 1.0000 0.0205 -0.8945 0.4798
-7.0000 2.0000 -1.0000 -0.0291 -0.9216 0.2141
-6.0000 10.0000 2.0000 -0.4601 -0.6071 0.5946
1.0000 -6.0000 7.0000 0.4567 0.6558 0.6675
-6.0000 -11.0000 3.0000 0.7851 -0.4635 0.4692
-4.0000 -14.0000 -1.0000 0.8615 -0.5077 -0.0959
-3.0000 6.0000 7.0000 -0.1849 0.1350 0.9758
5.0000 -1.0000 -7.0000 -0.1375 0.0887 -1.0059
3.0000 -15.0000 1.0000 0.8493 0.4842 -0.1876
-4.0000 14.0000 2.0000 -0.7240 -0.3801 0.5532
2.0000 7.0000 -7.0000 -0.5602 -0.2985 -0.7860
4.0000 13.0000 2.0000 -0.7857 0.5847 0.1959
-1.0000 10.0000 6.0000 -0.4661 0.2884 0.8231
-6.0000 -2.0000 6.0000 0.3107 -0.2725 0.9042
6.0000 -4.0000 3.0000 0.1956 0.9554 0.0290
-6.0000 -9.0000 -1.0000 0.5991 -0.7647 0.0469
-7.0000 -8.0000 3.0000 0.6247 -0.5937 0.5462
6.0000 1.0000 4.0000 -0.0795 1.0124 0.1965
-3.0000 -14.0000 3.0000 0.9155 -0.0929 0.3056
-2.0000 16.0000 2.0000 -0.8710 -0.1464 0.4892

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            16453
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.080
_diffrn_reflns_theta_min         3.425
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     52.00  82.00   0.50    0.50    --   45.50 -57.00 -60.00   60
  2  ω     20.00 138.00   0.50    0.50    --  100.10 -61.00 -60.00  236
  3  ω     59.00 162.00   0.50    0.50    --  100.10  45.00-120.00  206
  4  ω     92.00 131.00   0.50    0.50    --   45.50  82.00-180.00   78
  5  ω     11.00 143.00   0.50    0.50    --  100.10 -82.00 -60.00  264
  6  ω     59.00 190.00   0.50    0.50    --  100.10  45.00-150.00  262
  7  ω     94.00 132.00   0.50    0.50    --   45.50  82.00 120.00   76
  8  ω     89.00 132.00   0.50    0.50    --   45.50  82.00-120.00   86
  9  ω     89.00 127.00   0.50    0.50    --   45.50  82.00-150.00   76
 10  ω    -41.00  50.00   0.50    0.50    --   45.50 -57.00 -60.00  182
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0150217000
_diffrn_orient_matrix_UB_12      -0.0584736000
_diffrn_orient_matrix_UB_13      0.0172675000
_diffrn_orient_matrix_UB_21      0.1201833000
_diffrn_orient_matrix_UB_22      -0.0033340000
_diffrn_orient_matrix_UB_23      0.0736526000
_diffrn_orient_matrix_UB_31      -0.0432544000
_diffrn_orient_matrix_UB_32      0.0112674000
_diffrn_orient_matrix_UB_33      0.1111983000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5923
_reflns_number_total             6429
_reflns_odcompleteness_completeness 99.23
_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 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.149
_refine_diff_density_min         -2.577
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         6429
_refine_ls_number_restraints     161
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0518
_refine_ls_restrained_S_all      1.124
_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)+(0.0677P)²+23.5860P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1369
_refine_ls_wR_factor_ref         0.1389
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C18-C17
 1.53 with sigma of 0.01
 C16-C14 \\sim C14-C15
 with sigma of 0.01
 C7-C6 \\sim C6-C8
 with sigma of 0.01
 C16A-C14A \\sim C14A-C15A
 with sigma of 0.01
 C16-C13 \\sim C16A-C13 \\sim C14-C13 \\sim C14A-C13 \\sim C15-C13 \\sim
C15A-C13
 with sigma of 0.01
 C8A-C7A \\sim C7A-C6A
 with sigma of 0.01
 C7-C5 \\sim C7A-C5 \\sim C8-C5 \\sim C8A-C5 \\sim C5-C6A \\sim C5-C6 \\sim
S2-C5
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O2) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F2) \\sim
Ueq, Uanis(F1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of
0.01
Uanis(Ag4A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Ag2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C14A) \\sim Ueq, Uanis(C15A) \\sim Ueq, Uanis(C16A) \\sim Ueq, Uanis(C14)
\\sim Ueq, Uanis(C16) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C8) \\sim Ueq, Uanis(C8A) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C6A)
\\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C7A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(S4) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
Uanis(C11) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Sof(C6)=Sof(H6A)=Sof(H6B)=Sof(H6C)=Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=
 Sof(H8A)=Sof(H8B)=Sof(H8C)=1-FVAR(1)
 Sof(C6A)=Sof(H6AA)=Sof(H6AB)=Sof(H6AC)=Sof(C7A)=Sof(H7AA)=Sof(H7AB)=Sof(H7AC)=
 Sof(C8A)=Sof(H8AA)=Sof(H8AB)=Sof(H8AC)=FVAR(1)
 Sof(C14)=Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=1-FVAR(2)
 Sof(C14A)=Sof(H14D)=Sof(H14E)=Sof(H14F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=
 Sof(H15F)=Sof(C16A)=Sof(H16D)=Sof(H16E)=Sof(H16F)=FVAR(2)
 Sof(Ag4A)=1-FVAR(3)
 Sof(Ag4)=FVAR(3)
 Fixed Sof: Ag1(0.4) Ag1A(0.6) N2(0.5) H2A(0.5) H2B(0.5)
5.a Rotating group:
 N2(H2A,H2B)
5.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C20(H20), C22(H22), C23(H23), C25(H25)
5.c Idealised Me refined as rotating group:
 C2(H2C,H2D,H2E), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C6A(H6AA,
 H6AB,H6AC), C7(H7A,H7B,H7C), C7A(H7AA,H7AB,H7AC), C8(H8A,H8B,H8C), C8A(H8AA,
 H8AB,H8AC), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C14(H14A,H14B,H14C), C14A(H14D,H14E,H14F), C15(H15A,H15B,H15C), C15A(H15D,H15E,
 H15F), C16(H16A,H16B,H16C), C16A(H16D,H16E,H16F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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 0.30583(18) 0.31660(8) 1.02929(18) 0.0612(5) Uani 0.4 1 d . . P A 2
Ag1A Ag 0.34568(10) 0.33809(6) 1.05466(11) 0.0594(3) Uani 0.6 1 d . . P A 1
Ag2 Ag 0.25056(5) 0.29567(2) 0.79480(7) 0.0622(2) Uani 1 1 d . U . . .
Ag3 Ag 0.09048(4) 0.20178(2) 0.69278(4) 0.03818(15) Uani 1 1 d . . . . .
Ag4 Ag 0.17539(9) 0.29234(2) 0.52153(5) 0.0493(3) Uani 0.960(4) 1 d . . P A 1
Ag4A Ag 0.108(2) 0.2967(6) 0.5224(12) 0.050(7) Uani 0.040(4) 1 d . U P A 2
Ag5 Ag 0.02752(5) 0.34085(2) 0.84729(5) 0.05213(18) Uani 1 1 d . . . . .
S1 S 0.02866(13) 0.24113(7) 0.85036(14) 0.0381(4) Uani 1 1 d . . . . .
S2 S 0.13905(15) 0.35434(7) 0.66643(16) 0.0465(4) Uani 1 1 d D . . . .
S3 S 0.13949(15) 0.14494(6) 0.55299(14) 0.0416(4) Uani 1 1 d . . . . .
S4 S 0.33789(18) 0.24389(11) 0.9538(3) 0.0942(10) Uani 1 1 d . U . . .
F1 F 0.6780(9) 0.4289(4) 1.2115(9) 0.150(3) Uani 1 1 d . U . . .
F2 F 0.7298(14) 0.3931(7) 1.0796(14) 0.231(6) Uani 1 1 d . U . . .
F3 F 0.6413(15) 0.4646(7) 1.0516(15) 0.243(7) Uani 1 1 d . U . . .
O1 O 0.4848(8) 0.3880(4) 1.1249(9) 0.112(3) Uani 1 1 d . . . . .
O2 O 0.5209(13) 0.3850(6) 0.9529(12) 0.168(5) Uani 1 1 d . U . . .
N1 N -0.1333(5) 0.3831(3) 0.7570(6) 0.0526(16) Uani 1 1 d . . . . .
N2 N -0.4408(13) 0.5141(7) 0.7426(15) 0.074(4) Uani 0.5 1 d . . P . .
H2A H -0.4528 0.5467 0.7589 0.089 Uiso 0.5 1 d GR . P . .
H2B H -0.4829 0.4939 0.7755 0.089 Uiso 0.5 1 d GR . P . .
C1 C -0.1084(6) 0.2123(3) 0.8582(6) 0.0497(18) Uani 1 1 d . . . . .
C2 C -0.1960(6) 0.2310(4) 0.7503(8) 0.063(2) Uani 1 1 d . . . . .
H2C H -0.1963 0.2690 0.7480 0.095 Uiso 1 1 calc GR . . . .
H2D H -0.2700 0.2185 0.7555 0.095 Uiso 1 1 calc GR . . . .
H2E H -0.1770 0.2175 0.6792 0.095 Uiso 1 1 calc GR . . . .
C3 C -0.0989(7) 0.1538(4) 0.8585(8) 0.061(2) Uani 1 1 d . . . . .
H3A H -0.0811 0.1422 0.7853 0.092 Uiso 1 1 calc GR . . . .
H3B H -0.1699 0.1385 0.8662 0.092 Uiso 1 1 calc GR . . . .
H3C H -0.0395 0.1428 0.9243 0.092 Uiso 1 1 calc GR . . . .
C4 C -0.1360(7) 0.2315(5) 0.9703(8) 0.070(3) Uani 1 1 d . . . . .
H4A H -0.0733 0.2242 1.0359 0.105 Uiso 1 1 calc GR . . . .
H4B H -0.2030 0.2138 0.9828 0.105 Uiso 1 1 calc GR . . . .
H4C H -0.1495 0.2689 0.9649 0.105 Uiso 1 1 calc GR . . . .
C5 C 0.2191(7) 0.4081(3) 0.6606(7) 0.068(2) Uani 1 1 d D . . . .
C6 C 0.3460(13) 0.3916(12) 0.648(3) 0.127(12) Uani 0.455(18) 1 d D U P B 2
H6A H 0.3921 0.3841 0.7259 0.190 Uiso 0.455(18) 1 calc GR . P B 2
H6B H 0.3793 0.4202 0.6129 0.190 Uiso 0.455(18) 1 calc GR . P B 2
H6C H 0.3418 0.3607 0.5991 0.190 Uiso 0.455(18) 1 calc GR . P B 2
C6A C 0.3306(12) 0.4131(7) 0.7674(14) 0.070(5) Uani 0.545(18) 1 d D U P B 1
H6AA H 0.3081 0.4134 0.8424 0.105 Uiso 0.545(18) 1 calc GR . P B 1
H6AB H 0.3702 0.4453 0.7585 0.105 Uiso 0.545(18) 1 calc GR . P B 1
H6AC H 0.3800 0.3834 0.7649 0.105 Uiso 0.545(18) 1 calc GR . P B 1
C7 C 0.229(3) 0.4497(11) 0.768(2) 0.122(12) Uani 0.455(18) 1 d D U P B 2
H7A H 0.1549 0.4624 0.7713 0.183 Uiso 0.455(18) 1 calc GR . P B 2
H7B H 0.2762 0.4789 0.7552 0.183 Uiso 0.455(18) 1 calc GR . P B 2
H7C H 0.2633 0.4327 0.8420 0.183 Uiso 0.455(18) 1 calc GR . P B 2
C7A C 0.1549(17) 0.4624(5) 0.6806(15) 0.079(6) Uani 0.545(18) 1 d D U P B 1
H7AA H 0.0897 0.4672 0.6163 0.119 Uiso 0.545(18) 1 calc GR . P B 1
H7AB H 0.2062 0.4916 0.6828 0.119 Uiso 0.545(18) 1 calc GR . P B 1
H7AC H 0.1306 0.4605 0.7546 0.119 Uiso 0.545(18) 1 calc GR . P B 1
C8 C 0.157(3) 0.4382(13) 0.539(2) 0.130(13) Uani 0.455(18) 1 d D U P B 2
H8A H 0.1387 0.4130 0.4754 0.195 Uiso 0.455(18) 1 calc GR . P B 2
H8B H 0.2078 0.4645 0.5196 0.195 Uiso 0.455(18) 1 calc GR . P B 2
H8C H 0.0888 0.4549 0.5505 0.195 Uiso 0.455(18) 1 calc GR . P B 2
C8A C 0.255(2) 0.4212(7) 0.5379(14) 0.084(7) Uani 0.545(18) 1 d D U P B 1
H8AA H 0.3118 0.3963 0.5258 0.127 Uiso 0.545(18) 1 calc GR . P B 1
H8AB H 0.2857 0.4563 0.5411 0.127 Uiso 0.545(18) 1 calc GR . P B 1
H8AC H 0.1895 0.4187 0.4733 0.127 Uiso 0.545(18) 1 calc GR . P B 1
C9 C 0.1347(8) 0.0795(3) 0.6145(7) 0.059(2) Uani 1 1 d . . . . .
C10 C 0.1905(10) 0.0423(3) 0.5446(9) 0.074(3) Uani 1 1 d . . . . .
H10A H 0.1495 0.0423 0.4629 0.111 Uiso 1 1 calc GR . . . .
H10B H 0.1904 0.0073 0.5769 0.111 Uiso 1 1 calc GR . . . .
H10C H 0.2677 0.0534 0.5489 0.111 Uiso 1 1 calc GR . . . .
C11 C 0.1964(12) 0.0804(4) 0.7416(9) 0.092(3) Uani 1 1 d . U . . .
H11A H 0.2737 0.0914 0.7469 0.138 Uiso 1 1 calc GR . . . .
H11B H 0.1957 0.0457 0.7751 0.138 Uiso 1 1 calc GR . . . .
H11C H 0.1596 0.1048 0.7850 0.138 Uiso 1 1 calc GR . . . .
C12 C 0.0132(12) 0.0645(5) 0.6035(14) 0.113(5) Uani 1 1 d . . . . .
H12A H -0.0234 0.0902 0.6440 0.170 Uiso 1 1 calc GR . . . .
H12B H 0.0092 0.0303 0.6386 0.170 Uiso 1 1 calc GR . . . .
H12C H -0.0245 0.0634 0.5208 0.170 Uiso 1 1 calc GR . . . .
C13 C 0.4761(7) 0.2207(3) 0.9426(7) 0.061(2) Uani 1 1 d D . . . .
C14 C 0.438(2) 0.1804(9) 0.8500(19) 0.132(10) Uani 0.66(3) 1 d D U P C 2
H14A H 0.3870 0.1562 0.8759 0.198 Uiso 0.66(3) 1 calc GR . P C 2
H14B H 0.5032 0.1613 0.8363 0.198 Uiso 0.66(3) 1 calc GR . P C 2
H14C H 0.3999 0.1973 0.7775 0.198 Uiso 0.66(3) 1 calc GR . P C 2
C14A C 0.504(3) 0.1662(6) 0.916(3) 0.081(11) Uani 0.34(3) 1 d D U P C 1
H14D H 0.5228 0.1463 0.9888 0.122 Uiso 0.34(3) 1 calc GR . P C 1
H14E H 0.5683 0.1664 0.8791 0.122 Uiso 0.34(3) 1 calc GR . P C 1
H14F H 0.4400 0.1504 0.8632 0.122 Uiso 0.34(3) 1 calc GR . P C 1
C15 C 0.5382(14) 0.1988(10) 1.0565(12) 0.084(7) Uani 0.66(3) 1 d D . P C 2
H15A H 0.5573 0.2268 1.1138 0.125 Uiso 0.66(3) 1 calc GR . P C 2
H15B H 0.6068 0.1821 1.0456 0.125 Uiso 0.66(3) 1 calc GR . P C 2
H15C H 0.4913 0.1733 1.0847 0.125 Uiso 0.66(3) 1 calc GR . P C 2
C15A C 0.537(3) 0.2303(14) 1.0659(16) 0.071(10) Uani 0.34(3) 1 d D U P C 1
H15D H 0.5519 0.2675 1.0773 0.106 Uiso 0.34(3) 1 calc GR . P C 1
H15E H 0.6078 0.2113 1.0817 0.106 Uiso 0.34(3) 1 calc GR . P C 1
H15F H 0.4911 0.2185 1.1194 0.106 Uiso 0.34(3) 1 calc GR . P C 1
C16 C 0.5407(18) 0.2644(7) 0.906(3) 0.100(8) Uani 0.66(3) 1 d D U P C 2
H16A H 0.4982 0.2793 0.8329 0.149 Uiso 0.66(3) 1 calc GR . P C 2
H16B H 0.6125 0.2515 0.8944 0.149 Uiso 0.66(3) 1 calc GR . P C 2
H16C H 0.5537 0.2911 0.9668 0.149 Uiso 0.66(3) 1 calc GR . P C 2
C16A C 0.510(3) 0.2529(11) 0.850(2) 0.057(8) Uani 0.34(3) 1 d D U P C 1
H16D H 0.4491 0.2534 0.7798 0.086 Uiso 0.34(3) 1 calc GR . P C 1
H16E H 0.5769 0.2380 0.8300 0.086 Uiso 0.34(3) 1 calc GR . P C 1
H16F H 0.5260 0.2884 0.8783 0.086 Uiso 0.34(3) 1 calc GR . P C 1
C17 C 0.5406(15) 0.3946(6) 1.0565(11) 0.123(6) Uani 1 1 d D . . . .
C18 C 0.6501(14) 0.4232(7) 1.1004(16) 0.117(5) Uani 1 1 d D U . . .
C19 C -0.2248(7) 0.3908(4) 0.7999(7) 0.059(2) Uani 1 1 d . . . . .
H19 H -0.2256 0.3770 0.8747 0.070 Uiso 1 1 calc R . . . .
C20 C -0.3171(6) 0.4175(3) 0.7418(7) 0.0493(17) Uani 1 1 d . . . . .
H20 H -0.3795 0.4216 0.7765 0.059 Uiso 1 1 calc R . . . .
C21 C -0.3193(6) 0.4387(3) 0.6324(6) 0.0409(15) Uani 1 1 d . . . . .
C22 C -0.2247(6) 0.4302(3) 0.5877(8) 0.0535(19) Uani 1 1 d . . . . .
H22 H -0.2212 0.4438 0.5135 0.064 Uiso 1 1 calc R . . . .
C23 C -0.1367(7) 0.4022(4) 0.6505(8) 0.058(2) Uani 1 1 d . . . . .
H23 H -0.0746 0.3961 0.6164 0.070 Uiso 1 1 calc R . . . .
C24 C -0.4139(5) 0.4695(2) 0.5657(6) 0.0382(14) Uani 1 1 d . . . . .
C25 C -0.4459(6) 0.4642(3) 0.4449(6) 0.0407(15) Uani 1 1 d . . . . .
H25 H -0.4085 0.4397 0.4070 0.049 Uiso 1 1 calc R . . . .
C26 C -0.4689(5) 0.5061(3) 0.6218(6) 0.0406(15) 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 Ag2 2.742(2) . ?
Ag1 S3 2.342(3) 4_566 ?
Ag1 S4 2.149(4) . ?
Ag1A Ag2 3.2109(16) . ?
Ag1A S3 2.566(2) 4_566 ?
Ag1A S4 2.697(4) . ?
Ag1A O1 2.153(11) . ?
Ag2 Ag3 3.1837(8) . ?
Ag2 Ag4 3.1397(10) . ?
Ag2 Ag4A 3.293(15) . ?
Ag2 Ag5 3.1602(8) . ?
Ag2 S2 2.352(2) . ?
Ag2 S4 2.354(3) . ?
Ag3 Ag4A 3.200(15) . ?
Ag3 S1 2.3777(16) . ?
Ag3 S3 2.3762(17) . ?
Ag4 S1 2.5377(18) 4_565 ?
Ag4 S2 2.4477(19) . ?
Ag4 S4 2.488(2) 4_565 ?
Ag4A S1 2.262(14) 4_565 ?
Ag4A S2 2.221(15) . ?
Ag5 S1 2.5742(18) . ?
Ag5 S2 2.7916(19) . ?
Ag5 S3 2.5298(18) 4_566 ?
Ag5 N1 2.301(6) . ?
S1 Ag4 2.5377(18) 4_566 ?
S1 Ag4A 2.262(14) 4_566 ?
S1 C1 1.861(7) . ?
S2 C5 1.711(7) . ?
S3 Ag1 2.342(3) 4_565 ?
S3 Ag1A 2.566(2) 4_565 ?
S3 Ag5 2.5298(18) 4_565 ?
S3 C9 1.842(8) . ?
S4 Ag4 2.488(2) 4_566 ?
S4 C13 1.831(8) . ?
F1 C18 1.283(18) . ?
F2 C18 1.31(2) . ?
F3 C18 1.21(2) . ?
O1 C17 1.178(16) . ?
O2 C17 1.213(16) . ?
N1 C19 1.343(10) . ?
N1 C23 1.337(11) . ?
N2 H2A 0.8812 . ?
N2 H2B 0.8810 . ?
N2 C26 1.400(18) . ?
C1 C2 1.548(11) . ?
C1 C3 1.514(13) . ?
C1 C4 1.514(11) . ?
C2 H2C 0.9800 . ?
C2 H2D 0.9800 . ?
C2 H2E 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.652(9) . ?
C5 C6A 1.646(9) . ?
C5 C7 1.641(9) . ?
C5 C7A 1.648(9) . ?
C5 C8 1.654(9) . ?
C5 C8A 1.633(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9 C10 1.523(12) . ?
C9 C11 1.518(14) . ?
C9 C12 1.518(16) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.503(10) . ?
C13 C14A 1.497(11) . ?
C13 C15 1.498(10) . ?
C13 C15A 1.497(11) . ?
C13 C16 1.496(10) . ?
C13 C16A 1.503(11) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17 C18 1.521(10) . ?
C19 H19 0.9500 . ?
C19 C20 1.373(11) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(11) . ?
C21 C22 1.394(10) . ?
C21 C24 1.482(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.371(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(10) . ?
C24 C26 1.406(9) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(10) 3_466 ?
C26 C25 1.390(10) 3_466 ?

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
S3 Ag1 Ag2 100.00(8) 4_566 . ?
S4 Ag1 Ag2 55.97(10) . . ?
S4 Ag1 S3 131.53(13) . 4_566 ?
S3 Ag1A Ag2 84.21(5) 4_566 . ?
S3 Ag1A S4 102.19(8) 4_566 . ?
S4 Ag1A Ag2 45.94(7) . . ?
O1 Ag1A Ag2 131.3(3) . . ?
O1 Ag1A S3 126.8(3) . 4_566 ?
O1 Ag1A S4 131.0(3) . . ?
Ag1 Ag2 Ag3 121.59(6) . . ?
Ag1 Ag2 Ag4A 159.3(5) . . ?
Ag1 Ag2 Ag5 76.38(4) . . ?
Ag3 Ag2 Ag1A 133.04(4) . . ?
Ag3 Ag2 Ag4A 59.2(3) . . ?
Ag4 Ag2 Ag1A 160.86(4) . . ?
Ag4 Ag2 Ag3 64.93(2) . . ?
Ag4 Ag2 Ag5 97.89(3) . . ?
Ag5 Ag2 Ag1A 80.68(3) . . ?
Ag5 Ag2 Ag3 82.21(2) . . ?
Ag5 Ag2 Ag4A 83.5(5) . . ?
S2 Ag2 Ag1 119.84(6) . . ?
S2 Ag2 Ag1A 115.37(6) . . ?
S2 Ag2 Ag3 91.42(5) . . ?
S2 Ag2 Ag4 50.48(5) . . ?
S2 Ag2 Ag4A 42.4(4) . . ?
S2 Ag2 Ag5 58.69(5) . . ?
S2 Ag2 S4 166.72(10) . . ?
S4 Ag2 Ag1 49.17(11) . . ?
S4 Ag2 Ag1A 55.44(10) . . ?
S4 Ag2 Ag3 90.12(9) . . ?
S4 Ag2 Ag4 140.85(10) . . ?
S4 Ag2 Ag4A 145.9(3) . . ?
S4 Ag2 Ag5 108.53(7) . . ?
Ag2 Ag3 Ag4A 62.1(3) . . ?
S1 Ag3 Ag2 70.03(4) . . ?
S1 Ag3 Ag4A 103.6(4) . . ?
S3 Ag3 Ag2 120.04(5) . . ?
S3 Ag3 Ag4A 88.8(4) . . ?
S3 Ag3 S1 167.06(6) . . ?
S1 Ag4 Ag2 144.77(5) 4_565 . ?
S2 Ag4 Ag2 47.84(5) . . ?
S2 Ag4 S1 124.55(7) . 4_565 ?
S2 Ag4 S4 138.61(8) . 4_565 ?
S4 Ag4 Ag2 105.16(9) 4_565 . ?
S4 Ag4 S1 95.63(8) 4_565 4_565 ?
Ag3 Ag4A Ag2 58.7(3) . . ?
S1 Ag4A Ag2 153.7(8) 4_565 . ?
S1 Ag4A Ag3 98.8(5) 4_565 . ?
S2 Ag4A Ag2 45.5(3) . . ?
S2 Ag4A Ag3 93.5(5) . . ?
S2 Ag4A S1 159.8(12) . 4_565 ?
S1 Ag5 Ag2 68.38(4) . . ?
S1 Ag5 S2 97.66(6) . . ?
S2 Ag5 Ag2 46.04(4) . . ?
S3 Ag5 Ag2 85.86(5) 4_566 . ?
S3 Ag5 S1 97.55(6) 4_566 . ?
S3 Ag5 S2 117.02(6) 4_566 . ?
N1 Ag5 Ag2 141.09(17) . . ?
N1 Ag5 S1 118.81(19) . . ?
N1 Ag5 S2 96.06(18) . . ?
N1 Ag5 S3 127.04(17) . 4_566 ?
Ag3 S1 Ag4 100.29(6) . 4_566 ?
Ag3 S1 Ag5 114.70(7) . . ?
Ag4 S1 Ag5 110.62(6) 4_566 . ?
Ag4A S1 Ag3 111.3(5) 4_566 . ?
Ag4A S1 Ag5 116.4(4) 4_566 . ?
C1 S1 Ag3 108.4(2) . . ?
C1 S1 Ag4 108.5(3) . 4_566 ?
C1 S1 Ag4A 89.8(8) . 4_566 ?
C1 S1 Ag5 113.5(3) . . ?
Ag2 S2 Ag4 81.68(6) . . ?
Ag2 S2 Ag5 75.27(6) . . ?
Ag4 S2 Ag5 130.01(8) . . ?
Ag4A S2 Ag2 92.1(5) . . ?
Ag4A S2 Ag5 117.6(6) . . ?
C5 S2 Ag2 106.8(3) . . ?
C5 S2 Ag4 108.0(3) . . ?
C5 S2 Ag4A 121.2(6) . . ?
C5 S2 Ag5 120.9(3) . . ?
Ag1 S3 Ag3 100.42(8) 4_565 . ?
Ag1 S3 Ag5 97.46(8) 4_565 4_565 ?
Ag3 S3 Ag1A 106.81(7) . 4_565 ?
Ag3 S3 Ag5 113.79(7) . 4_565 ?
Ag5 S3 Ag1A 108.08(7) 4_565 4_565 ?
C9 S3 Ag1 122.6(3) . 4_565 ?
C9 S3 Ag1A 105.7(3) . 4_565 ?
C9 S3 Ag3 105.0(3) . . ?
C9 S3 Ag5 116.7(3) . 4_565 ?
Ag1 S4 Ag2 74.85(9) . . ?
Ag2 S4 Ag1A 78.62(8) . . ?
Ag2 S4 Ag4 102.11(9) . 4_566 ?
Ag4 S4 Ag1A 98.72(12) 4_566 . ?
C13 S4 Ag1 124.9(3) . . ?
C13 S4 Ag1A 112.5(3) . . ?
C13 S4 Ag2 113.3(3) . . ?
C13 S4 Ag4 136.2(3) . 4_566 ?
C17 O1 Ag1A 111.0(10) . . ?
C19 N1 Ag5 127.0(5) . . ?
C23 N1 Ag5 116.9(5) . . ?
C23 N1 C19 116.1(7) . . ?
H2A N2 H2B 109.2 . . ?
C26 N2 H2A 110.2 . . ?
C26 N2 H2B 108.6 . . ?
C2 C1 S1 107.9(6) . . ?
C3 C1 S1 109.2(5) . . ?
C3 C1 C2 110.7(7) . . ?
C3 C1 C4 110.8(8) . . ?
C4 C1 S1 106.9(6) . . ?
C4 C1 C2 111.2(7) . . ?
C1 C2 H2C 109.5 . . ?
C1 C2 H2D 109.5 . . ?
C1 C2 H2E 109.5 . . ?
H2C C2 H2D 109.5 . . ?
H2C C2 H2E 109.5 . . ?
H2D C2 H2E 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 S2 110.8(12) . . ?
C6 C5 C8 107.9(13) . . ?
C6A C5 S2 114.9(8) . . ?
C6A C5 C7A 99.8(8) . . ?
C7 C5 S2 116.6(13) . . ?
C7 C5 C6 108.7(13) . . ?
C7 C5 C8 107.5(19) . . ?
C7A C5 S2 112.7(8) . . ?
C8 C5 S2 104.9(13) . . ?
C8A C5 S2 118.2(8) . . ?
C8A C5 C6A 108.3(12) . . ?
C8A C5 C7A 100.5(9) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C6A H6AA 109.5 . . ?
C5 C6A H6AB 109.5 . . ?
C5 C6A H6AC 109.5 . . ?
H6AA C6A H6AB 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C7A H7AA 109.5 . . ?
C5 C7A H7AB 109.5 . . ?
C5 C7A H7AC 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C8A H8AA 109.5 . . ?
C5 C8A H8AB 109.5 . . ?
C5 C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C10 C9 S3 108.0(6) . . ?
C11 C9 S3 108.6(7) . . ?
C11 C9 C10 110.7(8) . . ?
C12 C9 S3 108.4(8) . . ?
C12 C9 C10 110.1(9) . . ?
C12 C9 C11 110.8(10) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 S4 97.7(11) . . ?
C14A C13 S4 125.6(16) . . ?
C14A C13 C15A 105.5(12) . . ?
C14A C13 C16A 104.8(12) . . ?
C15 C13 S4 110.9(8) . . ?
C15 C13 C14 113.6(10) . . ?
C15A C13 S4 98.6(16) . . ?
C15A C13 C16A 117(2) . . ?
C16 C13 S4 109.4(9) . . ?
C16 C13 C14 114.4(11) . . ?
C16 C13 C15 110.0(14) . . ?
C16A C13 S4 106.3(12) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C14A H14D 109.5 . . ?
C13 C14A H14E 109.5 . . ?
C13 C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C13 C15A H15E 109.5 . . ?
C13 C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C16A H16D 109.5 . . ?
C13 C16A H16E 109.5 . . ?
C13 C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
O1 C17 O2 129.5(18) . . ?
O1 C17 C18 116.3(14) . . ?
O2 C17 C18 114.0(15) . . ?
F1 C18 F2 102.4(16) . . ?
F1 C18 C17 114.8(14) . . ?
F2 C18 C17 106.8(16) . . ?
F3 C18 F1 110.9(18) . . ?
F3 C18 F2 115(2) . . ?
F3 C18 C17 106.7(16) . . ?
N1 C19 H19 118.1 . . ?
N1 C19 C20 123.7(8) . . ?
C20 C19 H19 118.1 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.1(7) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 C22 115.9(6) . . ?
C20 C21 C24 123.5(6) . . ?
C22 C21 C24 120.5(7) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.3(8) . . ?
C23 C22 H22 119.9 . . ?
N1 C23 C22 123.8(7) . . ?
N1 C23 H23 118.1 . . ?
C22 C23 H23 118.1 . . ?
C25 C24 C21 119.9(6) . . ?
C25 C24 C26 119.1(6) . . ?
C26 C24 C21 121.0(6) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 121.9(6) 3_466 . ?
C26 C25 H25 119.0 3_466 . ?
N2 C26 C24 122.5(9) . . ?
C25 C26 N2 118.5(9) 3_466 . ?
C25 C26 C24 119.0(7) 3_466 . ?

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 S3 C9 C10 -53.9(8) 4_565 . . . ?
Ag1 S3 C9 C11 66.3(8) 4_565 . . . ?
Ag1 S3 C9 C12 -173.2(7) 4_565 . . . ?
Ag1 S4 C13 C14 -161.5(11) . . . . ?
Ag1 S4 C13 C14A 165.2(15) . . . . ?
Ag1 S4 C13 C15 79.4(12) . . . . ?
Ag1 S4 C13 C15A 49.0(15) . . . . ?
Ag1 S4 C13 C16 -42.2(15) . . . . ?
Ag1 S4 C13 C16A -72.4(16) . . . . ?
Ag1A S3 C9 C10 -54.4(7) 4_565 . . . ?
Ag1A S3 C9 C11 65.8(7) 4_565 . . . ?
Ag1A S3 C9 C12 -173.7(7) 4_565 . . . ?
Ag1A S4 C13 C14 -161.1(10) . . . . ?
Ag1A S4 C13 C14A 165.6(15) . . . . ?
Ag1A S4 C13 C15 79.9(12) . . . . ?
Ag1A S4 C13 C15A 49.5(15) . . . . ?
Ag1A S4 C13 C16 -41.7(14) . . . . ?
Ag1A S4 C13 C16A -71.9(15) . . . . ?
Ag1A O1 C17 O2 13(2) . . . . ?
Ag1A O1 C17 C18 -172.0(11) . . . . ?
Ag2 S2 C5 C6 44.3(11) . . . . ?
Ag2 S2 C5 C6A -17.0(9) . . . . ?
Ag2 S2 C5 C7 -80.8(15) . . . . ?
Ag2 S2 C5 C7A -130.4(7) . . . . ?
Ag2 S2 C5 C8 160.5(15) . . . . ?
Ag2 S2 C5 C8A 112.9(11) . . . . ?
Ag2 S4 C13 C14 -74.2(11) . . . . ?
Ag2 S4 C13 C14A -107.5(15) . . . . ?
Ag2 S4 C13 C15 166.8(12) . . . . ?
Ag2 S4 C13 C15A 136.4(15) . . . . ?
Ag2 S4 C13 C16 45.2(15) . . . . ?
Ag2 S4 C13 C16A 15.0(16) . . . . ?
Ag3 S1 C1 C2 -69.5(6) . . . . ?
Ag3 S1 C1 C3 50.9(6) . . . . ?
Ag3 S1 C1 C4 170.9(6) . . . . ?
Ag3 S3 C9 C10 -167.1(6) . . . . ?
Ag3 S3 C9 C11 -47.0(8) . . . . ?
Ag3 S3 C9 C12 73.6(8) . . . . ?
Ag4 S1 C1 C2 -177.5(5) 4_566 . . . ?
Ag4 S1 C1 C3 -57.1(6) 4_566 . . . ?
Ag4 S1 C1 C4 62.9(7) 4_566 . . . ?
Ag4 S2 C5 C6 -42.2(11) . . . . ?
Ag4 S2 C5 C6A -103.5(9) . . . . ?
Ag4 S2 C5 C7 -167.3(14) . . . . ?
Ag4 S2 C5 C7A 143.1(6) . . . . ?
Ag4 S2 C5 C8 74.0(15) . . . . ?
Ag4 S2 C5 C8A 26.4(12) . . . . ?
Ag4 S4 C13 C14 67.0(11) 4_566 . . . ?
Ag4 S4 C13 C14A 33.8(16) 4_566 . . . ?
Ag4 S4 C13 C15 -52.0(14) 4_566 . . . ?
Ag4 S4 C13 C15A -82.4(16) 4_566 . . . ?
Ag4 S4 C13 C16 -173.6(14) 4_566 . . . ?
Ag4 S4 C13 C16A 156.2(15) 4_566 . . . ?
Ag4A S1 C1 C2 178.1(7) 4_566 . . . ?
Ag4A S1 C1 C3 -61.6(7) 4_566 . . . ?
Ag4A S1 C1 C4 58.4(8) 4_566 . . . ?
Ag4A S2 C5 C6 -58.9(13) . . . . ?
Ag4A S2 C5 C6A -120.2(11) . . . . ?
Ag4A S2 C5 C7 176.1(16) . . . . ?
Ag4A S2 C5 C7A 126.4(10) . . . . ?
Ag4A S2 C5 C8 57.3(17) . . . . ?
Ag4A S2 C5 C8A 9.8(14) . . . . ?
Ag5 S1 C1 C2 59.2(6) . . . . ?
Ag5 S1 C1 C3 179.5(5) . . . . ?
Ag5 S1 C1 C4 -60.5(7) . . . . ?
Ag5 S2 C5 C6 126.9(11) . . . . ?
Ag5 S2 C5 C6A 65.6(9) . . . . ?
Ag5 S2 C5 C7 1.9(15) . . . . ?
Ag5 S2 C5 C7A -47.8(7) . . . . ?
Ag5 S2 C5 C8 -116.9(15) . . . . ?
Ag5 S2 C5 C8A -164.4(11) . . . . ?
Ag5 S3 C9 C10 65.8(8) 4_565 . . . ?
Ag5 S3 C9 C11 -174.1(6) 4_565 . . . ?
Ag5 S3 C9 C12 -53.5(8) 4_565 . . . ?
Ag5 N1 C19 C20 178.5(6) . . . . ?
Ag5 N1 C23 C22 -177.2(7) . . . . ?
O1 C17 C18 F1 11(2) . . . . ?
O1 C17 C18 F2 124.1(18) . . . . ?
O1 C17 C18 F3 -112(2) . . . . ?
O2 C17 C18 F1 -173.1(16) . . . . ?
O2 C17 C18 F2 -60(2) . . . . ?
O2 C17 C18 F3 64(2) . . . . ?
N1 C19 C20 C21 -0.4(14) . . . . ?
C19 N1 C23 C22 2.6(14) . . . . ?
C19 C20 C21 C22 0.9(12) . . . . ?
C19 C20 C21 C24 -177.8(7) . . . . ?
C20 C21 C22 C23 0.3(12) . . . . ?
C20 C21 C24 C25 -142.2(7) . . . . ?
C20 C21 C24 C26 40.9(10) . . . . ?
C21 C22 C23 N1 -2.1(15) . . . . ?
C21 C24 C25 C26 -177.3(6) . . . 3_466 ?
C21 C24 C26 N2 -2.4(14) . . . . ?
C21 C24 C26 C25 177.2(6) . . . 3_466 ?
C22 C21 C24 C25 39.1(10) . . . . ?
C22 C21 C24 C26 -137.8(8) . . . . ?
C23 N1 C19 C20 -1.4(13) . . . . ?
C24 C21 C22 C23 179.1(8) . . . . ?
C25 C24 C26 N2 -179.3(11) . . . . ?
C25 C24 C26 C25 0.4(11) . . . 3_466 ?
C26 C24 C25 C26 -0.4(11) . . . 3_466 ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.374
_oxdiff_exptl_absorpt_empirical_full_min 0.794
