# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_yww-161-ag
_database_code_depnum_ccdc_archive 'CCDC 2213177'
loop_
_audit_author_name
_audit_author_address
'Weiwei Yang'
;Tianjin University
China
;
_audit_update_record             
;
2022-10-15 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2022-10-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'Ag C2 F3 O2, Ag1.82 C4 F6 O4, C40 H40 O5, 0.18(Ag)'
_chemical_formula_sum            'C46 H40 Ag3 F9 O11'
_chemical_formula_weight         1263.39
_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'
O O 0.0492 0.0322 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.34190(10)
_cell_length_b                   20.96220(10)
_cell_length_c                   18.15160(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.4690(10)
_cell_angle_gamma                90
_cell_volume                     4656.22(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    44836
_cell_measurement_temperature    160.00(10)
_cell_measurement_theta_max      74.5940
_cell_measurement_theta_min      2.0810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.875
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
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    1.802
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            62012
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.711
_diffrn_reflns_theta_min         3.236
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      160.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -56.00 -24.00   0.50    0.05    --  -45.87  66.00-115.00   64
  2  ω    -20.00   7.00   0.50    0.05    --  -45.87  66.00-115.00   54
  3  ω   -118.00 -35.00   0.50    0.05    --  -45.87 -66.00 110.00  166
  4  ω     32.00  65.00   0.50    0.05    --   45.87 -66.00 110.00   66
  5  ω    -85.00 -34.00   0.50    0.22    -- -100.00  66.00-115.00  102
  6  ω   -151.00-125.00   0.50    0.22    -- -100.00 -66.00 110.00   52
  7  ω    129.00 175.00   0.50    0.22    --  101.75  66.00-115.00   92
  8  ω     39.00  76.00   0.50    0.22    --  101.75 -66.00 110.00   74
  9  ω   -118.00 -75.00   0.50    0.05    --  -45.87-125.00 -90.00   86
 10  ω    -44.00  28.00   0.50    0.05    --  -45.87  38.00 120.00  144
 11  ω    -29.00   3.00   0.50    0.05    --   45.87 -19.00 120.00   64
 12  ω    -24.00  59.00   0.50    0.05    --   45.87 -57.00 -90.00  166
 13  ω     49.00  74.00   0.50    0.05    --   45.87  66.00-115.00   50
 14  ω     31.00 116.00   0.50    0.05    --   45.87  38.00   0.00  170
 15  ω     12.00  61.00   0.50    0.05    --   45.87 -19.00 120.00   98
 16  ω   -128.00-102.00   0.50    0.22    -- -100.00 -15.00   0.00   52
 17  ω   -114.00 -65.00   0.50    0.22    -- -100.00  45.00   0.00   98
 18  ω   -118.00 -25.00   0.50    0.22    -- -100.00  15.00   0.00  186
 19  ω   -117.00 -50.00   0.50    0.22    -- -100.00 125.00  90.00  134
 20  ω   -172.00 -82.00   0.50    0.22    -- -100.00 -61.00  30.00  180
 21  ω   -115.00 -88.00   0.50    0.22    -- -100.00  30.00  90.00   54
 22  ω   -172.00 -85.00   0.50    0.22    -- -100.00 -45.00 -30.00  174
 23  ω   -145.00 -86.00   0.50    0.22    -- -100.00 -45.00 -60.00  118
 24  ω   -137.00 -92.00   0.50    0.22    -- -100.00 -45.00   0.00   90
 25  ω   -171.00 -83.00   0.50    0.22    -- -100.00 -61.00-180.00  176
 26  ω   -170.00-142.00   0.50    0.22    -- -100.00 -45.00   0.00   56
 27  ω    -60.00 -35.00   0.50    0.22    -- -100.00  45.00   0.00   50
 28  ω    -57.00 -25.00   0.50    0.22    -- -100.00  30.00  90.00   64
 29  ω     85.00 110.00   0.50    0.22    --  101.75  61.00   0.00   50
 30  ω     88.00 163.00   0.50    0.22    --  101.75  45.00 -90.00  150
 31  ω     29.00  98.00   0.50    0.22    --  101.75 -94.00 -60.00  138
 32  ω     30.00 116.00   0.50    0.22    --  101.75 -45.00 120.00  172
 33  ω     79.00 106.00   0.50    0.22    --  101.75 -94.00-150.00   54
 34  ω     36.00  61.00   0.50    0.22    --  101.75 -94.00-150.00   50
 35  ω    146.00 172.00   0.50    0.22    --  101.75  30.00  30.00   52
 36  ω     87.00 125.00   0.50    0.22    --  101.75  30.00  30.00   76
 37  ω     43.00  94.00   0.50    0.22    --  101.75 -94.00 120.00  102
 38  ω     61.00 109.00   0.50    0.22    --  101.75 -94.00 -30.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0460748000
_diffrn_orient_matrix_UB_12      0.0558997000
_diffrn_orient_matrix_UB_13      -0.0495980000
_diffrn_orient_matrix_UB_21      -0.1066547000
_diffrn_orient_matrix_UB_22      -0.0025311000
_diffrn_orient_matrix_UB_23      0.0355783000
_diffrn_orient_matrix_UB_31      0.0484664000
_diffrn_orient_matrix_UB_32      0.0476489000
_diffrn_orient_matrix_UB_33      0.0600094000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8517
_reflns_number_total             9339
_reflns_odcompleteness_completeness 100.00
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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         1.846
_refine_diff_density_min         -1.694
_refine_diff_density_rms         0.119
_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     658
_refine_ls_number_reflns         9339
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0610
_refine_ls_restrained_S_all      1.051
_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)+(0.0731P)²+19.4677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1581
_refine_ls_wR_factor_ref         0.1631
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Ag3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 1*[Sof(Ag2A)]+1*[Sof(Ag2B)]+1*[Sof(Ag3)]=1 with esd of 0.001
 Sof(Ag1B)=1-FVAR(1)
 Sof(Ag1A)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C32(H32a,H32b), C40(H40a,H40b), C24(H24a,H24b), C16(H16a,H16b), C8(H8a,H8b)
4.b Aromatic/amide H refined with riding coordinates:
 C34(H34), C21(H21), C30(H30), C14(H14), C2(H2), C13(H13), C26(H26), C18(H18),
 C27(H27), C38(H38), C6(H6), C37(H37), C10(H10), C5(H5), C22(H22)
4.c Idealised Me refined as rotating group:
 C31(H31a,H31b,H31c), C23(H23a,H23b,H23c), C7(H7a,H7b,H7c), C15(H15a,H15b,
 H15c), C39(H39a,H39b,H39c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.46871(3) 0.53689(2) 0.93412(2) 0.04579(14) Uani 1 1 d . . . . .
Ag1A Ag 0.27836(5) 0.74679(3) 0.53381(3) 0.0618(2) Uani 0.7829(17) 1 d . . P A
1
O10 O 0.3818(3) 0.50649(16) 1.09828(18) 0.0370(7) Uani 1 1 d . . . . .
F7 F 0.1405(2) 0.58296(18) 1.04396(19) 0.0570(8) Uani 1 1 d . . . . .
O11 O 0.3340(3) 0.56497(15) 0.99538(18) 0.0373(7) Uani 1 1 d . . . . .
O4 O 0.3452(3) 0.94584(17) 0.51578(19) 0.0429(8) Uani 1 1 d . . . . .
F9 F 0.2568(3) 0.63000(18) 1.1227(3) 0.0747(12) Uani 1 1 d . . . . .
O5 O 0.4016(3) 0.64103(17) 0.3592(2) 0.0480(9) Uani 1 1 d . . . . .
O2 O 0.1123(3) 0.5611(2) 0.7621(2) 0.0547(10) Uani 1 1 d . . . . .
F8 F 0.1959(3) 0.5378(2) 1.1460(2) 0.0725(11) Uani 1 1 d . . . . .
O1 O 0.3509(4) 0.5125(2) 0.5804(2) 0.0594(10) Uani 1 1 d . . . . .
O3 O -0.0619(4) 0.7687(2) 0.6623(3) 0.0685(13) Uani 1 1 d . . . . .
C46 C 0.3244(4) 0.5449(2) 1.0581(3) 0.0318(9) Uani 1 1 d . . . . .
C35 C 0.4156(4) 0.7000(2) 0.3916(3) 0.0369(10) Uani 1 1 d . . . . .
C33 C 0.3620(4) 0.8092(2) 0.4119(2) 0.0363(10) Uani 1 1 d . . . . .
C34 C 0.3405(4) 0.7494(2) 0.3780(2) 0.0364(10) Uani 1 1 d . . . . .
H34 H 0.275817 0.742936 0.346479 0.044 Uiso 1 1 calc R . . . .
C36 C 0.5121(4) 0.7079(2) 0.4407(3) 0.0350(9) Uani 1 1 d . . . . .
O7 O 0.1507(5) 0.6790(3) 0.4848(3) 0.0843(16) Uani 1 1 d . . . . .
C1 C 0.5663(4) 0.6146(2) 0.5242(3) 0.0397(10) Uani 1 1 d . . . . .
C21 C 0.1859(5) 0.8240(3) 0.7658(3) 0.0461(12) Uani 1 1 d . . . . .
H21 H 0.228979 0.860539 0.768917 0.055 Uiso 1 1 calc R . . . .
C25 C 0.1088(4) 0.8766(2) 0.5928(3) 0.0404(11) Uani 1 1 d . . . . .
C11 C 0.2231(4) 0.5685(2) 0.7722(3) 0.0416(11) Uani 1 1 d . . . . .
C29 C 0.2549(4) 0.9108(2) 0.5244(3) 0.0377(10) Uani 1 1 d . . . . .
C12 C 0.2636(4) 0.6170(2) 0.8216(3) 0.0409(11) Uani 1 1 d . . . . .
C20 C 0.0925(4) 0.8220(2) 0.7148(3) 0.0414(11) Uani 1 1 d . . . . .
C30 C 0.2015(4) 0.9137(2) 0.5873(3) 0.0393(10) Uani 1 1 d . . . . .
H30 H 0.227841 0.940695 0.626244 0.047 Uiso 1 1 calc R . . . .
C14 C 0.4477(4) 0.5893(2) 0.8011(3) 0.0410(11) Uani 1 1 d . . . . .
H14 H 0.522539 0.596382 0.811253 0.049 Uiso 1 1 calc R . . . .
C2 C 0.4686(4) 0.5816(3) 0.5203(3) 0.0425(11) Uani 1 1 d . . . . .
H2 H 0.418960 0.583509 0.477169 0.051 Uiso 1 1 calc R . . . .
C9 C 0.4075(4) 0.5415(2) 0.7515(3) 0.0403(11) Uani 1 1 d . . . . .
C28 C 0.2158(4) 0.8702(2) 0.4651(3) 0.0385(10) Uani 1 1 d . . . . .
C13 C 0.3757(4) 0.6259(2) 0.8348(3) 0.0414(11) Uani 1 1 d . . . . .
H13 H 0.403340 0.657760 0.867701 0.050 Uiso 1 1 calc R . . . .
C26 C 0.0689(5) 0.8378(2) 0.5336(3) 0.0465(12) Uani 1 1 d . . . . .
H26 H 0.006431 0.813447 0.535831 0.056 Uiso 1 1 calc R . . . .
C45 C 0.2279(4) 0.5734(2) 1.0932(3) 0.0411(11) Uani 1 1 d . . . . .
C18 C 0.0609(4) 0.7147(3) 0.7579(3) 0.0461(12) Uani 1 1 d . . . . .
H18 H 0.018379 0.677968 0.754436 0.055 Uiso 1 1 calc R . . . .
C27 C 0.1227(4) 0.8352(2) 0.4708(3) 0.0433(11) Uani 1 1 d . . . . .
H27 H 0.094866 0.809027 0.431408 0.052 Uiso 1 1 calc R . . . .
C17 C 0.1549(4) 0.7179(3) 0.8088(3) 0.0420(11) Uani 1 1 d . . . . .
C38 C 0.4567(5) 0.8173(2) 0.4596(3) 0.0455(12) Uani 1 1 d . . . . .
H38 H 0.471651 0.856510 0.482706 0.055 Uiso 1 1 calc R . . . .
F4 F 0.5441(6) 0.7716(4) 0.7934(3) 0.144(3) Uani 1 1 d . . . . .
C4 C 0.5167(5) 0.5415(2) 0.6454(3) 0.0428(11) Uani 1 1 d . . . . .
C32 C 0.2780(5) 0.8624(2) 0.3988(3) 0.0425(11) Uani 1 1 d . . . . .
H32A H 0.314557 0.902143 0.390025 0.051 Uiso 1 1 calc R . . . .
H32B H 0.226977 0.852837 0.354898 0.051 Uiso 1 1 calc R . . . .
C40 C 0.5921(4) 0.6537(3) 0.4588(3) 0.0443(11) Uani 1 1 d . . . . .
H40A H 0.590637 0.626211 0.415686 0.053 Uiso 1 1 calc R . . . .
H40B H 0.665343 0.671030 0.469709 0.053 Uiso 1 1 calc R . . . .
C6 C 0.6393(4) 0.6102(3) 0.5886(3) 0.0513(13) Uani 1 1 d . . . . .
H6 H 0.705841 0.631512 0.591922 0.062 Uiso 1 1 calc R . . . .
C37 C 0.5305(4) 0.7672(3) 0.4738(3) 0.0452(11) Uani 1 1 d . . . . .
H37 H 0.594067 0.773703 0.506409 0.054 Uiso 1 1 calc R . . . .
C10 C 0.2958(5) 0.5309(2) 0.7379(3) 0.0417(11) Uani 1 1 d . . . . .
H10 H 0.268808 0.498571 0.705516 0.050 Uiso 1 1 calc R . . . .
O9 O 0.3934(5) 0.7911(3) 0.6239(4) 0.106(2) Uani 1 1 d . . . . .
C24 C 0.0585(5) 0.8783(2) 0.6643(3) 0.0483(12) Uani 1 1 d . . . . .
H24A H -0.020500 0.878476 0.652588 0.058 Uiso 1 1 calc R . . . .
H24B H 0.079849 0.917535 0.690551 0.058 Uiso 1 1 calc R . . . .
C3 C 0.4444(4) 0.5456(2) 0.5799(3) 0.0409(11) Uani 1 1 d . . . . .
C19 C 0.0301(4) 0.7674(3) 0.7115(3) 0.0463(12) Uani 1 1 d . . . . .
F5 F 0.5357(6) 0.8511(3) 0.7251(5) 0.150(3) Uani 1 1 d . . . . .
C5 C 0.6144(5) 0.5741(3) 0.6486(3) 0.0518(13) Uani 1 1 d . . . . .
H5 H 0.664379 0.571937 0.691575 0.062 Uiso 1 1 calc R . . . .
C22 C 0.2172(5) 0.7728(3) 0.8128(3) 0.0494(12) Uani 1 1 d . . . . .
H22 H 0.280134 0.775672 0.846866 0.059 Uiso 1 1 calc R . . . .
C31 C 0.3965(5) 0.9803(3) 0.5791(3) 0.0468(12) Uani 1 1 d . . . . .
H31A H 0.463273 0.998979 0.567524 0.070 Uiso 1 1 calc GR . . . .
H31B H 0.412201 0.951627 0.620309 0.070 Uiso 1 1 calc GR . . . .
H31C H 0.348349 1.013345 0.591732 0.070 Uiso 1 1 calc GR . . . .
C16 C 0.1879(5) 0.6602(3) 0.8580(3) 0.0503(13) Uani 1 1 d . . . . .
H16A H 0.224358 0.674464 0.905757 0.060 Uiso 1 1 calc R . . . .
H16B H 0.123108 0.636590 0.866602 0.060 Uiso 1 1 calc R . . . .
C8 C 0.4865(5) 0.5042(3) 0.7112(3) 0.0463(12) Uani 1 1 d . . . . .
H8A H 0.453526 0.463903 0.694176 0.056 Uiso 1 1 calc R . . . .
H8B H 0.552045 0.494943 0.745153 0.056 Uiso 1 1 calc R . . . .
O8 O 0.3970(6) 0.7128(3) 0.7036(3) 0.100(2) Uani 1 1 d . . . . .
C43 C 0.4335(5) 0.7606(3) 0.6773(3) 0.0505(13) Uani 1 1 d . . . . .
F6 F 0.6242(5) 0.7730(4) 0.7008(5) 0.160(3) Uani 1 1 d . . . . .
C44 C 0.5321(6) 0.7899(4) 0.7256(4) 0.0710(19) Uani 1 1 d . . . . .
C42 C 0.0917(6) 0.6511(3) 0.5211(4) 0.0622(16) Uani 1 1 d . . . . .
C23 C -0.1335(5) 0.7158(3) 0.6595(5) 0.075(2) Uani 1 1 d . . . . .
H23A H -0.102060 0.680500 0.636076 0.112 Uiso 1 1 calc GR . . . .
H23B H -0.202297 0.726919 0.631553 0.112 Uiso 1 1 calc GR . . . .
H23C H -0.144656 0.704018 0.709101 0.112 Uiso 1 1 calc GR . . . .
C7 C 0.2724(6) 0.5180(4) 0.5157(4) 0.0689(18) Uani 1 1 d . . . . .
H7A H 0.304148 0.503559 0.473104 0.103 Uiso 1 1 calc GR . . . .
H7B H 0.250639 0.561780 0.508835 0.103 Uiso 1 1 calc GR . . . .
H7C H 0.209726 0.492358 0.521676 0.103 Uiso 1 1 calc GR . . . .
C15 C 0.0682(6) 0.5138(4) 0.7099(4) 0.077(2) Uani 1 1 d . . . . .
H15A H 0.090982 0.522558 0.662296 0.116 Uiso 1 1 calc GR . . . .
H15B H -0.010141 0.514708 0.705601 0.116 Uiso 1 1 calc GR . . . .
H15C H 0.094083 0.472447 0.726646 0.116 Uiso 1 1 calc GR . . . .
C39 C 0.3029(6) 0.6297(3) 0.3118(4) 0.071(2) Uani 1 1 d . . . . .
H39A H 0.296655 0.659469 0.271294 0.107 Uiso 1 1 calc GR . . . .
H39B H 0.242125 0.635033 0.339352 0.107 Uiso 1 1 calc GR . . . .
H39C H 0.302988 0.587006 0.292779 0.107 Uiso 1 1 calc GR . . . .
F1 F -0.0647(10) 0.5880(7) 0.5140(5) 0.252(7) Uani 1 1 d . . . . .
F2 F -0.0797(7) 0.6679(7) 0.4591(7) 0.233(6) Uani 1 1 d . . . . .
F3 F 0.0051(8) 0.5956(6) 0.4192(6) 0.222(6) Uani 1 1 d . . . . .
Ag2A Ag 0.23622(7) 0.67428(5) 0.66348(4) 0.0626(3) Uani 0.705(3) 1 d . . P B 1
O6 O 0.0971(5) 0.6413(3) 0.5886(3) 0.0949(18) Uani 1 1 d . . . . .
C41 C -0.0103(10) 0.6231(6) 0.4767(6) 0.107(3) Uani 1 1 d . . . . .
Ag1B Ag 0.2114(2) 0.75289(12) 0.62298(18) 0.0754(9) Uani 0.2171(17) 1 d . . P A
2
Ag2B Ag 0.3579(2) 0.67304(15) 0.55333(15) 0.0649(10) Uani 0.1802(19) 1 d . . P
C 2
Ag3 Ag 0.3069(10) 0.6407(4) 0.6301(6) 0.148(7) Uani 0.114(3) 1 d . U P B 3


_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 Ag1 2.8685(7) 3_667 ?
Ag1 O10 2.205(3) 3_667 ?
Ag1 O11 2.197(3) . ?
Ag1A O7 2.220(6) . ?
Ag1A O9 2.225(7) . ?
O10 C46 1.244(5) . ?
F7 C45 1.324(6) . ?
O11 C46 1.234(6) . ?
O4 C29 1.360(6) . ?
O4 C31 1.433(6) . ?
F9 C45 1.332(6) . ?
O5 C35 1.371(6) . ?
O5 C39 1.417(8) . ?
O2 C11 1.364(7) . ?
O2 C15 1.428(9) . ?
F8 C45 1.316(6) . ?
O1 C3 1.348(6) . ?
O1 C7 1.426(8) . ?
O3 C19 1.351(7) . ?
O3 C23 1.415(8) . ?
C46 C45 1.541(7) . ?
C35 C34 1.390(7) . ?
C35 C36 1.402(7) . ?
C33 C34 1.405(6) . ?
C33 C38 1.372(7) . ?
C33 C32 1.521(7) . ?
C34 H34 0.9300 . ?
C36 C40 1.512(7) . ?
C36 C37 1.386(7) . ?
O7 C42 1.196(9) . ?
C1 C2 1.384(8) . ?
C1 C40 1.511(7) . ?
C1 C6 1.383(8) . ?
C21 H21 0.9300 . ?
C21 C20 1.382(8) . ?
C21 C22 1.393(8) . ?
C25 C30 1.397(8) . ?
C25 C26 1.387(8) . ?
C25 C24 1.509(7) . ?
C11 C12 1.405(8) . ?
C11 C10 1.399(7) . ?
C29 C30 1.393(7) . ?
C29 C28 1.409(7) . ?
C12 C13 1.386(8) . ?
C12 C16 1.512(7) . ?
C20 C24 1.520(7) . ?
C20 C19 1.376(8) . ?
C30 H30 0.9300 . ?
C14 H14 0.9300 . ?
C14 C9 1.395(8) . ?
C14 C13 1.377(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.384(7) . ?
C9 C10 1.386(8) . ?
C9 C8 1.511(7) . ?
C28 C27 1.378(8) . ?
C28 C32 1.517(7) . ?
C13 H13 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.393(8) . ?
C18 H18 0.9300 . ?
C18 C17 1.387(8) . ?
C18 C19 1.411(8) . ?
C27 H27 0.9300 . ?
C17 C22 1.381(8) . ?
C17 C16 1.528(7) . ?
C38 H38 0.9300 . ?
C38 C37 1.392(8) . ?
F4 C44 1.278(9) . ?
C4 C3 1.392(8) . ?
C4 C5 1.381(8) . ?
C4 C8 1.515(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C6 H6 0.9300 . ?
C6 C5 1.392(8) . ?
C37 H37 0.9300 . ?
C10 H10 0.9300 . ?
O9 C43 1.212(7) . ?
O9 Ag1B 2.382(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
F5 C44 1.283(10) . ?
C5 H5 0.9300 . ?
C22 H22 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
O8 C43 1.221(8) . ?
O8 Ag2A 2.177(6) . ?
O8 Ag3 2.216(9) . ?
C43 C44 1.533(10) . ?
F6 C44 1.323(10) . ?
C42 O6 1.235(8) . ?
C42 C41 1.522(12) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
F1 C41 1.253(13) . ?
F2 C41 1.283(15) . ?
F3 C41 1.227(14) . ?
Ag2A O6 2.161(6) . ?

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
O10 Ag1 Ag1 81.73(9) 3_667 3_667 ?
O11 Ag1 Ag1 82.06(8) . 3_667 ?
O11 Ag1 O10 163.78(12) . 3_667 ?
O7 Ag1A O9 156.0(2) . . ?
C46 O10 Ag1 122.9(3) . 3_667 ?
C46 O11 Ag1 123.1(3) . . ?
C29 O4 C31 117.6(4) . . ?
C35 O5 C39 117.5(4) . . ?
C11 O2 C15 117.2(5) . . ?
C3 O1 C7 116.3(5) . . ?
C19 O3 C23 118.3(5) . . ?
O10 C46 C45 114.9(4) . . ?
O11 C46 O10 130.2(4) . . ?
O11 C46 C45 114.9(4) . . ?
O5 C35 C34 123.5(5) . . ?
O5 C35 C36 115.3(4) . . ?
C34 C35 C36 121.2(4) . . ?
C34 C33 C32 119.9(5) . . ?
C38 C33 C34 118.9(4) . . ?
C38 C33 C32 121.0(4) . . ?
C35 C34 C33 120.2(5) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C35 C36 C40 121.8(4) . . ?
C37 C36 C35 117.2(4) . . ?
C37 C36 C40 121.0(5) . . ?
C42 O7 Ag1A 122.9(5) . . ?
C2 C1 C40 120.1(5) . . ?
C6 C1 C2 118.5(5) . . ?
C6 C1 C40 121.4(5) . . ?
C20 C21 H21 119.1 . . ?
C20 C21 C22 121.8(5) . . ?
C22 C21 H21 119.1 . . ?
C30 C25 C24 118.7(5) . . ?
C26 C25 C30 118.8(5) . . ?
C26 C25 C24 122.4(5) . . ?
O2 C11 C12 115.8(5) . . ?
O2 C11 C10 124.4(5) . . ?
C10 C11 C12 119.8(5) . . ?
O4 C29 C30 123.6(4) . . ?
O4 C29 C28 116.3(4) . . ?
C30 C29 C28 120.1(5) . . ?
C11 C12 C16 121.6(5) . . ?
C13 C12 C11 118.2(5) . . ?
C13 C12 C16 120.2(5) . . ?
C21 C20 C24 121.4(5) . . ?
C19 C20 C21 117.9(5) . . ?
C19 C20 C24 120.7(5) . . ?
C25 C30 H30 119.5 . . ?
C29 C30 C25 120.9(5) . . ?
C29 C30 H30 119.5 . . ?
C9 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C9 119.5(5) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.5(5) . . ?
C3 C2 H2 119.8 . . ?
C14 C9 C8 119.1(5) . . ?
C10 C9 C14 119.4(5) . . ?
C10 C9 C8 121.4(5) . . ?
C29 C28 C32 120.8(5) . . ?
C27 C28 C29 118.1(5) . . ?
C27 C28 C32 121.0(5) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 C12 122.4(5) . . ?
C14 C13 H13 118.8 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.9(5) . . ?
C27 C26 H26 120.0 . . ?
F7 C45 F9 106.7(4) . . ?
F7 C45 C46 112.7(4) . . ?
F9 C45 C46 109.2(4) . . ?
F8 C45 F7 106.4(4) . . ?
F8 C45 F9 107.5(5) . . ?
F8 C45 C46 113.8(4) . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.8(5) . . ?
C19 C18 H18 120.1 . . ?
C28 C27 C26 122.1(5) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C18 C17 C16 119.2(5) . . ?
C22 C17 C18 119.1(5) . . ?
C22 C17 C16 121.7(5) . . ?
C33 C38 H38 119.8 . . ?
C33 C38 C37 120.4(5) . . ?
C37 C38 H38 119.8 . . ?
C3 C4 C8 120.6(5) . . ?
C5 C4 C3 117.7(5) . . ?
C5 C4 C8 121.6(5) . . ?
C33 C32 H32A 109.4 . . ?
C33 C32 H32B 109.4 . . ?
C28 C32 C33 111.1(4) . . ?
C28 C32 H32A 109.4 . . ?
C28 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C36 C40 H40A 109.2 . . ?
C36 C40 H40B 109.2 . . ?
C1 C40 C36 112.3(4) . . ?
C1 C40 H40A 109.2 . . ?
C1 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?
C1 C6 H6 119.6 . . ?
C1 C6 C5 120.8(5) . . ?
C5 C6 H6 119.6 . . ?
C36 C37 C38 122.1(5) . . ?
C36 C37 H37 119.0 . . ?
C38 C37 H37 119.0 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.8(5) . . ?
C9 C10 H10 119.6 . . ?
C43 O9 Ag1A 121.5(5) . . ?
C43 O9 Ag1B 96.6(4) . . ?
C25 C24 C20 112.8(4) . . ?
C25 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C20 C24 H24A 109.0 . . ?
C20 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
O1 C3 C2 123.9(5) . . ?
O1 C3 C4 114.6(5) . . ?
C2 C3 C4 121.5(5) . . ?
O3 C19 C20 115.4(5) . . ?
O3 C19 C18 123.3(5) . . ?
C20 C19 C18 121.2(5) . . ?
C4 C5 C6 121.0(5) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C21 C22 H22 119.9 . . ?
C17 C22 C21 120.1(5) . . ?
C17 C22 H22 119.9 . . ?
O4 C31 H31A 109.5 . . ?
O4 C31 H31B 109.5 . . ?
O4 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C12 C16 C17 110.6(4) . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C9 C8 C4 110.7(4) . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C43 O8 Ag2A 122.7(5) . . ?
C43 O8 Ag3 120.4(5) . . ?
O9 C43 O8 127.7(7) . . ?
O9 C43 C44 117.2(6) . . ?
O8 C43 C44 114.3(5) . . ?
F4 C44 F5 107.8(8) . . ?
F4 C44 C43 114.4(6) . . ?
F4 C44 F6 104.5(8) . . ?
F5 C44 C43 115.0(6) . . ?
F5 C44 F6 103.5(8) . . ?
F6 C44 C43 110.5(7) . . ?
O7 C42 O6 132.1(7) . . ?
O7 C42 C41 114.7(7) . . ?
O6 C42 C41 113.3(7) . . ?
O3 C23 H23A 109.5 . . ?
O3 C23 H23B 109.5 . . ?
O3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O5 C39 H39A 109.5 . . ?
O5 C39 H39B 109.5 . . ?
O5 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O6 Ag2A O8 160.7(2) . . ?
C42 O6 Ag2A 120.4(5) . . ?
F1 C41 C42 113.9(9) . . ?
F1 C41 F2 100.2(13) . . ?
F2 C41 C42 109.2(11) . . ?
F3 C41 C42 115.1(11) . . ?
F3 C41 F1 109.6(13) . . ?
F3 C41 F2 107.7(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 2.530
_oxdiff_exptl_absorpt_empirical_full_min 0.432
####################################################################### 
# 
# 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_20210907-yww-dmp5-ag-2
_database_code_depnum_ccdc_archive 'CCDC 2213179'
loop_
_audit_author_name
_audit_author_address
'Weiwei Yang'
;Tianjin University
China
;
_audit_update_record             
;
2022-10-15 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2022-10-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag2 C4 F6 O4, C H Cl3, C45 H50 O10'
_chemical_formula_sum            'C50 H51 Ag2 Cl3 F6 O14'
_chemical_formula_weight         1311.99
_chemical_absolute_configuration ?
_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'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.10780(10)
_cell_length_b                   20.0062(2)
_cell_length_c                   21.6776(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5250.99(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19450
_cell_measurement_temperature    160.00(10)
_cell_measurement_theta_max      73.3070
_cell_measurement_theta_min      3.0160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.143
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_unetI/netI     0.0577
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26674
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.742
_diffrn_reflns_theta_min         3.006
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      160.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     25.00  84.00   0.50    0.05    --   35.61-102.00  80.00  118
  2  ω   -105.00 -40.00   0.50    0.15    -- -100.00 113.00 -88.00  130
  3  ω   -177.00-132.00   0.50    0.15    -- -100.00 -26.00 -95.00   90
  4  ω    -93.00 -54.00   0.50    0.15    -- -100.00 -26.00 -95.00   78
  5  ω     27.00 110.00   0.50    0.15    --  109.32-102.00  80.00  166
  6  ω    100.00 127.00   0.50    0.15    --  109.32 102.00-176.00   54
  7  ω    -37.00  82.00   0.50    0.05    --   35.61 -26.00 -95.00  238
  8  ω      7.00 112.00   0.50    0.05    --   35.61  77.00-180.00  210
  9  ω    -69.00 -19.00   0.50    0.15    -- -100.00 111.00  30.00  100
 10  ω   -137.00 -89.00   0.50    0.15    -- -100.00 179.00  60.00   96
 11  ω    -70.00 -45.00   0.50    0.15    -- -100.00 179.00  60.00   50
 12  ω     88.00 178.00   0.50    0.15    --  109.32 111.00 120.00  180
 13  ω     49.00  75.00   0.50    0.15    --  109.32 -94.00 120.00   52
 14  ω     36.00  73.00   0.50    0.15    --  109.32 -94.00 -30.00   74
 15  ω     29.00 112.00   0.50    0.15    --  109.32-111.00 -90.00  166
 16  ω     78.00 106.00   0.50    0.15    --  109.32 -94.00 -30.00   56
 17  ω     71.00 172.00   0.50    0.15    --  109.32  77.00-120.00  202
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0813975000
_diffrn_orient_matrix_UB_12      -0.0532441000
_diffrn_orient_matrix_UB_13      -0.0239077000
_diffrn_orient_matrix_UB_21      0.0904305000
_diffrn_orient_matrix_UB_22      -0.0538106000
_diffrn_orient_matrix_UB_23      0.0060775000
_diffrn_orient_matrix_UB_31      -0.0375286000
_diffrn_orient_matrix_UB_32      -0.0140871000
_diffrn_orient_matrix_UB_33      0.0666024000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.787
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.948
_reflns_number_gt                9688
_reflns_number_total             10225
_reflns_odcompleteness_completeness 99.98
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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         2.003
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details 
;
 Flack x determined using 3911 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.010(4)
_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     706
_refine_ls_number_reflns         10225
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0637
_refine_ls_restrained_S_all      1.038
_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)+(0.1033P)²+9.4501P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.1713
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 O13, Ag3
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 Ag2, O13
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3. Uiso/Uaniso restraints and constraints
O13: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O13) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
4. Others
 Sof(Ag3)=1-FVAR(1)
 Sof(Ag2)=FVAR(1)
 Sof(Ag4)=1-FVAR(2)
 Sof(Ag1)=FVAR(2)
5.a Ternary CH refined with riding coordinates:
 C50(H50)
5.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C13(H13A,H13B), C31(H31A,H31B), C39(H39A,H39B), C40(H40A,H40B)
5.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C15(H15), C16(H16), C17(H17), C19(H19), C21(H21), C23(H23), C25(H25),
 C32(H32), C35(H35)
5.d Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C41(H41A,H41B,
 H41C), C42(H42A,H42B,H42C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C47(H47A,
 H47B,H47C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.56682(6) 0.44522(4) 0.65057(3) 0.0455(3) Uani 0.892(3) 1 d . . P A 1
Ag2 Ag 0.50728(7) 0.56368(5) 0.58043(5) 0.0473(4) Uani 0.684(3) 1 d . U P A 1
Cl1 Cl 0.9462(3) 0.21819(19) 0.82767(13) 0.0759(8) Uani 1 1 d . . . . .
Cl2 Cl 1.0583(3) 0.32713(15) 0.76507(16) 0.0770(8) Uani 1 1 d . . . . .
Cl3 Cl 1.0361(3) 0.19802(14) 0.7070(2) 0.0924(13) Uani 1 1 d . . . . .
O1 O 0.8063(4) 0.3182(3) 0.6631(2) 0.0338(11) Uani 1 1 d . . . . .
O2 O 0.4693(5) 0.3792(3) 0.8138(3) 0.0425(14) Uani 1 1 d . . . . .
O3 O 0.6508(5) 0.7320(3) 0.5993(3) 0.0372(12) Uani 1 1 d . . . . .
O4 O 0.2401(5) 0.4412(3) 0.4370(3) 0.0468(14) Uani 1 1 d . . . . .
O5 O 0.3785(6) 0.6147(3) 0.7722(3) 0.0564(19) Uani 1 1 d . . . . .
O6 O 0.2285(5) 0.6681(3) 0.5444(3) 0.0412(12) Uani 1 1 d . . . . .
O7 O 0.8001(5) 0.5573(3) 0.7532(3) 0.0474(14) Uani 1 1 d . . . . .
F1 F 0.1878(6) 0.4607(4) 0.7192(3) 0.079(2) Uani 1 1 d . . . . .
O8 O 0.5934(5) 0.5982(3) 0.4052(3) 0.0439(13) Uani 1 1 d . . . . .
F2 F 0.1459(6) 0.5342(3) 0.6522(4) 0.078(2) Uani 1 1 d . . . . .
O9 O 0.3676(5) 0.2760(4) 0.6051(3) 0.0539(16) Uani 1 1 d . . . . .
C1 C 0.6977(6) 0.3070(3) 0.6474(3) 0.0251(12) Uani 1 1 d . . . . .
O10 O 0.6701(6) 0.3507(4) 0.4514(4) 0.0598(18) Uani 1 1 d . . . . .
O11 O 0.7275(6) 0.4675(4) 0.6069(4) 0.0611(19) Uani 1 1 d . . . . .
F3 F 0.1528(6) 0.4311(4) 0.6258(4) 0.079(2) Uani 1 1 d . . . . .
C2 C 0.6455(6) 0.3999(3) 0.7735(3) 0.0233(12) Uani 1 1 d . . . . .
C3 C 0.4170(6) 0.6819(3) 0.5214(3) 0.0270(13) Uani 1 1 d . . . . .
C4 C 0.6219(6) 0.3089(3) 0.6959(3) 0.0270(13) Uani 1 1 d . . . . .
C5 C 0.6564(6) 0.3253(3) 0.7611(3) 0.0255(13) Uani 1 1 d . . . . .
H5A H 0.732450 0.311659 0.767379 0.031 Uiso 1 1 calc R . . . .
H5B H 0.610528 0.300707 0.789889 0.031 Uiso 1 1 calc R . . . .
C6 C 0.4027(6) 0.6722(3) 0.6740(4) 0.0314(15) Uani 1 1 d . . . . .
H6 H 0.327065 0.671692 0.666742 0.038 Uiso 1 1 calc R . . . .
C7 C 0.5570(7) 0.6433(3) 0.7391(3) 0.0313(14) Uani 1 1 d . . . . .
C8 C 0.4827(8) 0.3367(4) 0.4754(4) 0.0390(18) Uani 1 1 d . . . . .
C9 C 0.4068(6) 0.5804(3) 0.4318(3) 0.0296(14) Uani 1 1 d . . . . .
C10 C 0.7174(7) 0.5124(4) 0.7672(3) 0.0316(15) Uani 1 1 d . . . . .
C11 C 0.4294(6) 0.4568(3) 0.4164(3) 0.0316(14) Uani 1 1 d . . . . .
O12 O 0.3895(6) 0.4501(4) 0.6711(4) 0.063(2) Uani 1 1 d . . . . .
C12 C 0.5641(8) 0.3744(4) 0.4484(4) 0.0396(17) Uani 1 1 d . . . . .
C13 C 0.6040(8) 0.6129(3) 0.7970(4) 0.0368(17) Uani 1 1 d . . . . .
H13A H 0.554565 0.621962 0.831150 0.044 Uiso 1 1 calc R . . . .
H13B H 0.674457 0.633814 0.806073 0.044 Uiso 1 1 calc R . . . .
F4 F 0.9106(7) 0.5761(4) 0.5876(6) 0.112(4) Uani 1 1 d . . . . .
C14 C 0.4721(6) 0.7015(3) 0.6315(3) 0.0288(14) Uani 1 1 d . . . . .
C15 C 0.6626(7) 0.2931(4) 0.5872(3) 0.0328(15) Uani 1 1 d . . . . .
H15 H 0.714160 0.290246 0.555538 0.039 Uiso 1 1 calc R . . . .
C16 C 0.7298(6) 0.4432(4) 0.7584(3) 0.0276(13) Uani 1 1 d . . . . .
H16 H 0.795435 0.426457 0.742353 0.033 Uiso 1 1 calc R . . . .
C17 C 0.5106(6) 0.6661(3) 0.4862(3) 0.0301(14) Uani 1 1 d . . . . .
H17 H 0.576353 0.689103 0.492689 0.036 Uiso 1 1 calc R . . . .
C18 C 0.4439(7) 0.6436(3) 0.7277(4) 0.0352(16) Uani 1 1 d . . . . .
C19 C 0.5358(6) 0.4940(3) 0.8073(3) 0.0302(15) Uani 1 1 d . . . . .
H19 H 0.470906 0.510642 0.824271 0.036 Uiso 1 1 calc R . . . .
C20 C 0.3460(7) 0.4174(4) 0.4426(4) 0.0388(17) Uani 1 1 d . . . . .
C21 C 0.3143(6) 0.5973(3) 0.4662(3) 0.0287(14) Uani 1 1 d . . . . .
H21 H 0.248669 0.574192 0.459908 0.034 Uiso 1 1 calc R . . . .
F5 F 0.9299(6) 0.4771(5) 0.5650(5) 0.099(3) Uani 1 1 d . . . . .
C22 C 0.5517(7) 0.2836(3) 0.5745(3) 0.0339(15) Uani 1 1 d . . . . .
C23 C 0.6275(7) 0.6715(3) 0.6962(3) 0.0310(14) Uani 1 1 d . . . . .
H23 H 0.703220 0.671072 0.703267 0.037 Uiso 1 1 calc R . . . .
C24 C 0.3179(6) 0.6485(3) 0.5104(3) 0.0274(13) Uani 1 1 d . . . . .
C25 C 0.3748(8) 0.3577(4) 0.4718(4) 0.0418(18) Uani 1 1 d . . . . .
H25 H 0.319596 0.331456 0.489233 0.050 Uiso 1 1 calc R . . . .
C26 C 0.4754(6) 0.2861(4) 0.6215(4) 0.0357(16) Uani 1 1 d . . . . .
C27 C 0.6205(7) 0.5374(3) 0.7912(3) 0.0302(14) Uani 1 1 d . . . . .
C28 C 0.5482(6) 0.4251(3) 0.7980(3) 0.0272(13) Uani 1 1 d . . . . .
C29 C 0.5052(6) 0.6156(4) 0.4413(3) 0.0307(14) Uani 1 1 d . . . . .
F6 F 0.8769(7) 0.5438(8) 0.4973(4) 0.140(6) Uani 1 1 d . . . . .
C30 C 0.5855(6) 0.7008(3) 0.6419(3) 0.0302(14) Uani 1 1 d . . . . .
O13 O 0.6833(7) 0.5605(6) 0.5586(5) 0.084(2) Uani 1 1 d . U . . .
C31 C 0.4256(6) 0.7331(3) 0.5729(3) 0.0312(14) Uani 1 1 d . . . . .
H31A H 0.353049 0.751518 0.581379 0.037 Uiso 1 1 calc R . . . .
H31B H 0.473263 0.769472 0.559876 0.037 Uiso 1 1 calc R . . . .
C32 C 0.5383(7) 0.4353(4) 0.4195(3) 0.0372(16) Uani 1 1 d . . . . .
H32 H 0.594275 0.461197 0.402394 0.045 Uiso 1 1 calc R . . . .
C33 C 0.8845(8) 0.3219(5) 0.6144(4) 0.047(2) Uani 1 1 d . . . . .
H33A H 0.856232 0.350080 0.582186 0.070 Uiso 1 1 calc GR . . . .
H33B H 0.897782 0.277944 0.598284 0.070 Uiso 1 1 calc GR . . . .
H33C H 0.952447 0.340274 0.629725 0.070 Uiso 1 1 calc GR . . . .
C34 C 0.3235(7) 0.4847(3) 0.6417(4) 0.0356(16) Uani 1 1 d . . . . .
C35 C 0.5098(6) 0.2986(3) 0.6826(3) 0.0287(13) Uani 1 1 d . . . . .
H35 H 0.457897 0.300028 0.714150 0.034 Uiso 1 1 calc R . . . .
O14 O 0.3415(7) 0.5259(5) 0.6015(5) 0.088(3) Uani 1 1 d . . . . .
C36 C 0.7436(7) 0.5155(4) 0.5731(4) 0.0431(19) Uani 1 1 d . . . . .
C37 C 0.2860(7) 0.2830(5) 0.6521(6) 0.055(2) Uani 1 1 d . . . . .
H37A H 0.214154 0.275050 0.634850 0.082 Uiso 1 1 calc GR . . . .
H37B H 0.288964 0.327451 0.668692 0.082 Uiso 1 1 calc GR . . . .
H37C H 0.299954 0.251240 0.684352 0.082 Uiso 1 1 calc GR . . . .
C38 C 0.3669(8) 0.4035(5) 0.8353(5) 0.058(3) Uani 1 1 d . . . . .
H38A H 0.333105 0.430441 0.803921 0.087 Uiso 1 1 calc GR . . . .
H38B H 0.378552 0.430054 0.871637 0.087 Uiso 1 1 calc GR . . . .
H38C H 0.319478 0.366540 0.845079 0.087 Uiso 1 1 calc GR . . . .
C39 C 0.4016(7) 0.5234(4) 0.3858(3) 0.0354(16) Uani 1 1 d . . . . .
H39A H 0.453357 0.531759 0.352552 0.042 Uiso 1 1 calc R . . . .
H39B H 0.328040 0.521084 0.368240 0.042 Uiso 1 1 calc R . . . .
C40 C 0.5130(9) 0.2716(4) 0.5080(4) 0.046(2) Uani 1 1 d . . . . .
H40A H 0.571238 0.249329 0.485206 0.056 Uiso 1 1 calc R . . . .
H40B H 0.449125 0.242287 0.508477 0.056 Uiso 1 1 calc R . . . .
C41 C 0.2674(8) 0.6327(4) 0.7752(5) 0.049(2) Uani 1 1 d . . . . .
H41A H 0.229143 0.615324 0.739865 0.073 Uiso 1 1 calc GR . . . .
H41B H 0.261218 0.680556 0.775706 0.073 Uiso 1 1 calc GR . . . .
H41C H 0.235202 0.614699 0.812102 0.073 Uiso 1 1 calc GR . . . .
C42 C 0.7677(7) 0.7290(5) 0.6077(5) 0.054(2) Uani 1 1 d . . . . .
H42A H 0.803677 0.752114 0.574548 0.080 Uiso 1 1 calc GR . . . .
H42B H 0.791056 0.683113 0.608088 0.080 Uiso 1 1 calc GR . . . .
H42C H 0.786884 0.749646 0.646219 0.080 Uiso 1 1 calc GR . . . .
C43 C 0.2018(8) 0.4784(5) 0.6601(5) 0.048(2) Uani 1 1 d . . . . .
C44 C 0.1263(7) 0.6393(5) 0.5288(4) 0.046(2) Uani 1 1 d . . . . .
H44A H 0.114827 0.642995 0.485145 0.070 Uiso 1 1 calc GR . . . .
H44B H 0.068197 0.662295 0.550216 0.070 Uiso 1 1 calc GR . . . .
H44C H 0.126217 0.593040 0.540497 0.070 Uiso 1 1 calc GR . . . .
C45 C 0.6940(7) 0.6340(6) 0.4147(4) 0.051(2) Uani 1 1 d . . . . .
H45A H 0.750497 0.615698 0.388578 0.077 Uiso 1 1 calc GR . . . .
H45B H 0.716053 0.629982 0.457032 0.077 Uiso 1 1 calc GR . . . .
H45C H 0.683004 0.680243 0.404711 0.077 Uiso 1 1 calc GR . . . .
C46 C 0.8643(9) 0.5283(6) 0.5542(6) 0.060(3) Uani 1 1 d . . . . .
C47 C 0.9045(8) 0.5305(5) 0.7345(6) 0.057(3) Uani 1 1 d . . . . .
H47A H 0.895413 0.505448 0.697063 0.085 Uiso 1 1 calc GR . . . .
H47B H 0.932492 0.501714 0.766266 0.085 Uiso 1 1 calc GR . . . .
H47C H 0.955577 0.566439 0.727596 0.085 Uiso 1 1 calc GR . . . .
C48 C 0.1513(9) 0.4000(6) 0.4586(7) 0.067(3) Uani 1 1 d . . . . .
H48A H 0.158688 0.355891 0.441627 0.101 Uiso 1 1 calc GR . . . .
H48B H 0.082168 0.418936 0.445851 0.101 Uiso 1 1 calc GR . . . .
H48C H 0.153677 0.397547 0.502815 0.101 Uiso 1 1 calc GR . . . .
C49 C 0.7567(10) 0.3929(8) 0.4363(7) 0.085(4) Uani 1 1 d . . . . .
H49A H 0.745503 0.410522 0.395608 0.127 Uiso 1 1 calc GR . . . .
H49B H 0.824858 0.368470 0.437550 0.127 Uiso 1 1 calc GR . . . .
H49C H 0.759712 0.429083 0.465418 0.127 Uiso 1 1 calc GR . . . .
C50 C 0.9756(7) 0.2558(5) 0.7568(4) 0.0449(19) Uani 1 1 d . . . . .
H50 H 0.905416 0.269815 0.738442 0.054 Uiso 1 1 calc R . . . .
Ag3 Ag 0.4947(2) 0.5148(2) 0.54253(13) 0.0743(13) Uani 0.316(3) 1 d . U P A 2
Ag4 Ag 0.5563(7) 0.5170(7) 0.6668(3) 0.082(4) Uani 0.108(3) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 2.9064(10) . ?
Ag1 O11 2.209(7) . ?
Ag1 O12 2.194(7) . ?
Ag2 O13 2.184(9) . ?
Ag2 O14 2.192(8) . ?
Cl1 C50 1.747(9) . ?
Cl2 C50 1.752(10) . ?
Cl3 C50 1.742(10) . ?
O1 C1 1.377(9) . ?
O1 C33 1.420(10) . ?
O2 C28 1.369(9) . ?
O2 C38 1.411(10) . ?
O3 C30 1.366(9) . ?
O3 C42 1.429(11) . ?
O4 C20 1.372(10) . ?
O4 C48 1.433(13) . ?
O5 C18 1.374(10) . ?
O5 C41 1.395(12) . ?
O6 C24 1.367(9) . ?
O6 C44 1.405(10) . ?
O7 C10 1.378(9) . ?
O7 C47 1.431(12) . ?
F1 C43 1.339(12) . ?
O8 C29 1.368(9) . ?
O8 C45 1.427(11) . ?
F2 C43 1.316(11) . ?
O9 C26 1.368(10) . ?
O9 C37 1.426(13) . ?
C1 C4 1.397(10) . ?
C1 C15 1.400(10) . ?
O10 C12 1.370(11) . ?
O10 C49 1.385(16) . ?
O11 C36 1.225(11) . ?
F3 C43 1.342(13) . ?
C2 C5 1.523(8) . ?
C2 C16 1.378(10) . ?
C2 C28 1.386(9) . ?
C3 C17 1.402(10) . ?
C3 C24 1.394(10) . ?
C3 C31 1.519(9) . ?
C4 C5 1.509(10) . ?
C4 C35 1.403(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6 0.9300 . ?
C6 C14 1.378(11) . ?
C6 C18 1.390(11) . ?
C7 C13 1.506(10) . ?
C7 C18 1.391(12) . ?
C7 C23 1.381(11) . ?
C8 C12 1.371(13) . ?
C8 C25 1.375(13) . ?
C8 C40 1.528(11) . ?
C9 C21 1.387(10) . ?
C9 C29 1.398(11) . ?
C9 C39 1.517(10) . ?
C10 C16 1.406(10) . ?
C10 C27 1.377(11) . ?
C11 C20 1.402(12) . ?
C11 C32 1.390(11) . ?
C11 C39 1.525(10) . ?
O12 C34 1.234(10) . ?
O12 Ag4 2.425(13) . ?
C12 C32 1.404(11) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C27 1.530(9) . ?
F4 C46 1.322(15) . ?
C14 C30 1.391(11) . ?
C14 C31 1.526(10) . ?
C15 H15 0.9300 . ?
C15 C22 1.384(12) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C29 1.407(10) . ?
C19 H19 0.9300 . ?
C19 C27 1.388(11) . ?
C19 C28 1.400(9) . ?
C20 C25 1.396(11) . ?
C21 H21 0.9300 . ?
C21 C24 1.402(10) . ?
F5 C46 1.318(13) . ?
C22 C26 1.376(12) . ?
C22 C40 1.535(10) . ?
C23 H23 0.9300 . ?
C23 C30 1.411(10) . ?
C25 H25 0.9300 . ?
C26 C35 1.409(11) . ?
F6 C46 1.280(14) . ?
O13 C36 1.201(13) . ?
O13 Ag3 2.484(10) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 O14 1.220(11) . ?
C34 C43 1.531(13) . ?
C35 H35 0.9300 . ?
O14 Ag3 2.263(10) . ?
C36 C46 1.540(13) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50 0.9800 . ?
Ag3 Ag4 2.795(8) . ?

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
O11 Ag1 Ag2 80.23(18) . . ?
O12 Ag1 Ag2 80.03(19) . . ?
O12 Ag1 O11 160.0(3) . . ?
O13 Ag2 Ag1 81.2(3) . . ?
O13 Ag2 O14 158.2(4) . . ?
O14 Ag2 Ag1 80.6(2) . . ?
C1 O1 C33 117.5(6) . . ?
C28 O2 C38 117.7(6) . . ?
C30 O3 C42 117.9(6) . . ?
C20 O4 C48 118.2(7) . . ?
C18 O5 C41 118.7(7) . . ?
C24 O6 C44 116.7(6) . . ?
C10 O7 C47 117.4(6) . . ?
C29 O8 C45 117.2(7) . . ?
C26 O9 C37 117.4(7) . . ?
O1 C1 C4 116.0(6) . . ?
O1 C1 C15 123.5(6) . . ?
C4 C1 C15 120.5(7) . . ?
C12 O10 C49 119.2(8) . . ?
C36 O11 Ag1 123.7(6) . . ?
C16 C2 C5 120.6(6) . . ?
C16 C2 C28 119.5(6) . . ?
C28 C2 C5 119.9(6) . . ?
C17 C3 C31 119.7(6) . . ?
C24 C3 C17 119.7(6) . . ?
C24 C3 C31 120.5(6) . . ?
C1 C4 C5 121.9(6) . . ?
C1 C4 C35 118.4(7) . . ?
C35 C4 C5 119.6(6) . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C4 C5 C2 110.8(5) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C14 C6 H6 119.4 . . ?
C14 C6 C18 121.2(7) . . ?
C18 C6 H6 119.4 . . ?
C18 C7 C13 121.4(7) . . ?
C23 C7 C13 119.4(8) . . ?
C23 C7 C18 119.2(7) . . ?
C12 C8 C25 119.4(8) . . ?
C12 C8 C40 119.6(8) . . ?
C25 C8 C40 120.9(9) . . ?
C21 C9 C29 119.1(6) . . ?
C21 C9 C39 120.2(7) . . ?
C29 C9 C39 120.6(7) . . ?
O7 C10 C16 122.3(7) . . ?
C27 C10 O7 117.7(7) . . ?
C27 C10 C16 120.0(7) . . ?
C20 C11 C39 120.6(7) . . ?
C32 C11 C20 119.3(7) . . ?
C32 C11 C39 120.1(7) . . ?
C34 O12 Ag1 123.7(6) . . ?
C34 O12 Ag4 102.2(6) . . ?
O10 C12 C8 117.6(7) . . ?
O10 C12 C32 122.0(8) . . ?
C8 C12 C32 120.4(8) . . ?
C7 C13 H13A 109.1 . . ?
C7 C13 H13B 109.1 . . ?
C7 C13 C27 112.3(6) . . ?
H13A C13 H13B 107.9 . . ?
C27 C13 H13A 109.1 . . ?
C27 C13 H13B 109.1 . . ?
C6 C14 C30 119.2(7) . . ?
C6 C14 C31 120.6(7) . . ?
C30 C14 C31 120.2(7) . . ?
C1 C15 H15 119.8 . . ?
C22 C15 C1 120.5(7) . . ?
C22 C15 H15 119.8 . . ?
C2 C16 C10 120.5(6) . . ?
C2 C16 H16 119.8 . . ?
C10 C16 H16 119.8 . . ?
C3 C17 H17 120.0 . . ?
C3 C17 C29 120.1(7) . . ?
C29 C17 H17 120.0 . . ?
O5 C18 C6 123.6(8) . . ?
O5 C18 C7 116.3(7) . . ?
C6 C18 C7 120.2(7) . . ?
C27 C19 H19 120.0 . . ?
C27 C19 C28 120.0(7) . . ?
C28 C19 H19 120.0 . . ?
O4 C20 C11 116.2(7) . . ?
O4 C20 C25 124.8(9) . . ?
C25 C20 C11 119.0(8) . . ?
C9 C21 H21 119.3 . . ?
C9 C21 C24 121.4(7) . . ?
C24 C21 H21 119.3 . . ?
C15 C22 C40 120.3(8) . . ?
C26 C22 C15 120.0(7) . . ?
C26 C22 C40 119.7(8) . . ?
C7 C23 H23 119.7 . . ?
C7 C23 C30 120.6(7) . . ?
C30 C23 H23 119.7 . . ?
O6 C24 C3 116.9(6) . . ?
O6 C24 C21 123.6(7) . . ?
C3 C24 C21 119.5(6) . . ?
C8 C25 C20 121.6(9) . . ?
C8 C25 H25 119.2 . . ?
C20 C25 H25 119.2 . . ?
O9 C26 C22 116.2(7) . . ?
O9 C26 C35 123.6(8) . . ?
C22 C26 C35 120.2(7) . . ?
C10 C27 C13 120.1(7) . . ?
C10 C27 C19 119.8(6) . . ?
C19 C27 C13 120.0(7) . . ?
O2 C28 C2 116.4(6) . . ?
O2 C28 C19 123.3(6) . . ?
C2 C28 C19 120.2(7) . . ?
O8 C29 C9 117.0(6) . . ?
O8 C29 C17 122.8(7) . . ?
C9 C29 C17 120.2(7) . . ?
O3 C30 C14 117.2(6) . . ?
O3 C30 C23 123.1(7) . . ?
C14 C30 C23 119.7(7) . . ?
C36 O13 Ag2 123.9(8) . . ?
C36 O13 Ag3 108.6(8) . . ?
C3 C31 C14 110.9(5) . . ?
C3 C31 H31A 109.5 . . ?
C3 C31 H31B 109.5 . . ?
C14 C31 H31A 109.5 . . ?
C14 C31 H31B 109.5 . . ?
H31A C31 H31B 108.0 . . ?
C11 C32 C12 120.1(8) . . ?
C11 C32 H32 120.0 . . ?
C12 C32 H32 120.0 . . ?
O1 C33 H33A 109.5 . . ?
O1 C33 H33B 109.5 . . ?
O1 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O12 C34 C43 116.3(7) . . ?
O14 C34 O12 129.1(9) . . ?
O14 C34 C43 114.5(8) . . ?
C4 C35 C26 120.4(7) . . ?
C4 C35 H35 119.8 . . ?
C26 C35 H35 119.8 . . ?
C34 O14 Ag2 123.1(7) . . ?
C34 O14 Ag3 119.0(7) . . ?
O11 C36 C46 116.1(8) . . ?
O13 C36 O11 130.5(9) . . ?
O13 C36 C46 112.5(9) . . ?
O9 C37 H37A 109.5 . . ?
O9 C37 H37B 109.5 . . ?
O9 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O2 C38 H38A 109.5 . . ?
O2 C38 H38B 109.5 . . ?
O2 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C9 C39 C11 111.2(6) . . ?
C9 C39 H39A 109.4 . . ?
C9 C39 H39B 109.4 . . ?
C11 C39 H39A 109.4 . . ?
C11 C39 H39B 109.4 . . ?
H39A C39 H39B 108.0 . . ?
C8 C40 C22 112.0(6) . . ?
C8 C40 H40A 109.2 . . ?
C8 C40 H40B 109.2 . . ?
C22 C40 H40A 109.2 . . ?
C22 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?
O5 C41 H41A 109.5 . . ?
O5 C41 H41B 109.5 . . ?
O5 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O3 C42 H42A 109.5 . . ?
O3 C42 H42B 109.5 . . ?
O3 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
F1 C43 F3 106.8(8) . . ?
F1 C43 C34 113.1(8) . . ?
F2 C43 F1 106.5(9) . . ?
F2 C43 F3 107.3(8) . . ?
F2 C43 C34 113.0(7) . . ?
F3 C43 C34 109.8(8) . . ?
O6 C44 H44A 109.5 . . ?
O6 C44 H44B 109.5 . . ?
O6 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O8 C45 H45A 109.5 . . ?
O8 C45 H45B 109.5 . . ?
O8 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
F4 C46 C36 112.1(10) . . ?
F5 C46 F4 102.1(10) . . ?
F5 C46 C36 113.3(9) . . ?
F6 C46 F4 107.5(12) . . ?
F6 C46 F5 106.7(12) . . ?
F6 C46 C36 114.2(9) . . ?
O7 C47 H47A 109.5 . . ?
O7 C47 H47B 109.5 . . ?
O7 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O4 C48 H48A 109.5 . . ?
O4 C48 H48B 109.5 . . ?
O4 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O10 C49 H49A 109.5 . . ?
O10 C49 H49B 109.5 . . ?
O10 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
Cl1 C50 Cl2 112.2(5) . . ?
Cl1 C50 H50 107.7 . . ?
Cl2 C50 H50 107.7 . . ?
Cl3 C50 Cl1 110.2(5) . . ?
Cl3 C50 Cl2 111.3(5) . . ?
Cl3 C50 H50 107.7 . . ?
O13 Ag3 Ag4 67.3(3) . . ?
O14 Ag3 O13 129.6(4) . . ?
O14 Ag3 Ag4 70.9(3) . . ?
O12 Ag4 Ag3 78.8(3) . . ?


_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 3.339
_oxdiff_exptl_absorpt_empirical_full_min 0.436
####################################################################### 
# 
# 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_20220710-yww-p5-ag
_database_code_depnum_ccdc_archive 'CCDC 2213178'
loop_
_audit_author_name
_audit_author_address
'Weiwei Yang'
;Tianjin University
China
;
_audit_update_record             
;
2022-10-15 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2022-10-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag2 C4 F6 O4, C H Cl3, C45 H50 O10'
_chemical_formula_sum            'C50 H51 Ag2 Cl3 F6 O14'
_chemical_formula_weight         1311.99
_chemical_absolute_configuration ?
_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'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.1518(3)
_cell_length_b                   20.0181(5)
_cell_length_c                   21.6563(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5268.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12513
_cell_measurement_temperature    159.99(10)
_cell_measurement_theta_max      75.1010
_cell_measurement_theta_min      3.0070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.116
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0903
_diffrn_reflns_av_unetI/netI     0.0767
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29117
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.434
_diffrn_reflns_theta_min         3.006
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      159.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     35.00  93.00   0.50    0.63    --   47.12-121.00 147.00  116
  2  ω    -96.00 -50.00   0.50    2.51    -- -100.00 108.00 -30.00   92
  3  ω    146.00 178.00   0.50    2.51    --  107.75  20.00 157.00   64
  4  ω    100.00 126.00   0.50    2.51    --  107.75  20.00 157.00   52
  5  ω     32.00  60.00   0.50    0.63    --   47.12 -37.00 -90.00   56
  6  ω     89.00 119.00   0.50    0.63    --   47.12 125.00-180.00   60
  7  ω    -27.00   8.00   0.50    0.63    --   47.12 -37.00 -90.00   70
  8  ω     32.00 117.00   0.50    0.63    --   47.12  57.00-120.00  170
  9  ω   -115.00 -89.00   0.50    2.51    -- -100.00  30.00 -90.00   52
 10  ω   -114.00 -41.00   0.50    2.51    -- -100.00  45.00-180.00  146
 11  ω   -117.00 -55.00   0.50    2.51    -- -100.00  61.00-180.00  124
 12  ω    -78.00 -25.00   0.50    2.51    -- -100.00  30.00 -90.00  106
 13  ω   -106.00 -29.00   0.50    2.51    -- -100.00  45.00 -90.00  154
 14  ω    112.00 173.00   0.50    2.51    --  107.75  45.00-150.00  122
 15  ω     60.00  99.00   0.50    2.51    --  107.75 -94.00 -90.00   78
 16  ω     73.00 106.00   0.50    2.51    --  107.75 -94.00-150.00   66
 17  ω     89.00 114.00   0.50    2.51    --  107.75-121.00 147.00   50
 18  ω     40.00  65.00   0.50    2.51    --  107.75-121.00 147.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0226507000
_diffrn_orient_matrix_UB_12      -0.0755150000
_diffrn_orient_matrix_UB_13      -0.0048333000
_diffrn_orient_matrix_UB_21      0.1211169000
_diffrn_orient_matrix_UB_22      -0.0120560000
_diffrn_orient_matrix_UB_23      -0.0177658000
_diffrn_orient_matrix_UB_31      0.0296050000
_diffrn_orient_matrix_UB_32      -0.0084028000
_diffrn_orient_matrix_UB_33      0.0687698000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.774
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.911
_reflns_number_gt                7527
_reflns_number_total             10518
_reflns_odcompleteness_completeness 99.98
_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 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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         1.230
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 
;
 Flack x determined using 2415 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.013(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     714
_refine_ls_number_reflns         10518
_refine_ls_number_restraints     215
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0756
_refine_ls_restrained_S_all      1.142
_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)+(0.1215P)²+1.8506P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2048
_refine_ls_wR_factor_ref         0.2272
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3. Others
 Sof(Ag3)=1-FVAR(1)
 Sof(Ag2)=FVAR(1)
 Fixed Sof: Ag1(0.76) Ag4(0.12) Ag5(0.12)
4.a Ternary CH refined with riding coordinates:
 C48(H48)
4.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C22(H22A,H22B), C32(H32A,H32B), C33(H33A,H33B), C35(H35A,H35B)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C9(H9), C11(H11), C13(H13), C20(H20), C21(H21), C27(H27), C28(H28),
 C31(H31), C34(H34)
4.d Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C40(H40A,H40B,H40C), C41(H41A,H41B,
 H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,
 H45B,H45C), C46(H46A,H46B,H46C), C49(H49A,H49B,H49C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.56731(9) 0.44619(6) 0.34951(6) 0.0634(3) Uani 0.76 1 d . U P A 1
Ag2 Ag 0.50835(11) 0.56515(7) 0.41831(8) 0.0682(6) Uani 0.654(4) 1 d . U P A 1
Cl1 Cl 0.9473(4) 0.2189(3) 0.1732(2) 0.1066(13) Uani 1 1 d . U . . .
Cl2 Cl 1.0573(4) 0.3283(2) 0.2352(2) 0.1079(13) Uani 1 1 d . U . . .
Cl3 Cl 1.0339(4) 0.1992(2) 0.2942(3) 0.1241(19) Uani 1 1 d . U . . .
O1 O 0.8061(6) 0.3190(4) 0.3370(3) 0.0545(17) Uani 1 1 d . U . . .
O2 O 0.6506(6) 0.7323(4) 0.4012(4) 0.0599(18) Uani 1 1 d . U . . .
O3 O 0.4702(6) 0.3807(4) 0.1855(4) 0.065(2) Uani 1 1 d . U . . .
O4 O 0.3800(8) 0.6174(5) 0.2267(5) 0.083(3) Uani 1 1 d . U . . .
O5 O 0.2409(6) 0.4407(4) 0.5631(5) 0.073(2) Uani 1 1 d . U . . .
O6 O 0.5913(6) 0.5976(5) 0.5946(4) 0.066(2) Uani 1 1 d . U . . .
O7 O 0.2304(6) 0.6679(4) 0.4548(4) 0.066(2) Uani 1 1 d . U . . .
O8 O 0.7998(7) 0.5588(4) 0.2469(5) 0.073(2) Uani 1 1 d . U . . .
O9 O 0.3691(7) 0.2762(5) 0.3943(5) 0.078(2) Uani 1 1 d . U . . .
F1 F 0.1476(7) 0.5341(5) 0.3465(6) 0.108(3) Uani 1 1 d . U . . .
C1 C 0.6973(7) 0.3080(4) 0.3529(5) 0.0423(16) Uani 1 1 d . U . . .
O10 O 0.6690(8) 0.3503(5) 0.5485(5) 0.087(3) Uani 1 1 d . U . . .
F2 F 0.1888(8) 0.4604(6) 0.2815(5) 0.116(3) Uani 1 1 d . U . . .
C2 C 0.6448(7) 0.4018(5) 0.2273(4) 0.0423(18) Uani 1 1 d . U . . .
C3 C 0.4177(8) 0.6820(5) 0.4787(5) 0.0467(18) Uani 1 1 d . U . . .
C4 C 0.6619(9) 0.2938(5) 0.4123(5) 0.0505(19) Uani 1 1 d . U . . .
H4 H 0.713358 0.290535 0.443974 0.061 Uiso 1 1 calc R . . . .
C5 C 0.6212(8) 0.3116(4) 0.3043(5) 0.0444(17) Uani 1 1 d . U . . .
C6 C 0.4276(9) 0.4564(5) 0.5844(5) 0.0524(19) Uani 1 1 d . U . . .
C7 C 0.7171(9) 0.5136(5) 0.2330(5) 0.052(2) Uani 1 1 d . U . . .
C8 C 0.6568(8) 0.3263(4) 0.2396(4) 0.0426(17) Uani 1 1 d . U . . .
H8A H 0.611749 0.301358 0.210687 0.051 Uiso 1 1 calc R . . . .
H8B H 0.732856 0.312870 0.233928 0.051 Uiso 1 1 calc R . . . .
F3 F 0.1512(7) 0.4326(5) 0.3726(6) 0.116(3) Uani 1 1 d . U . . .
O11 O 0.7267(8) 0.4677(6) 0.3935(6) 0.094(3) Uani 1 1 d . U . . .
C9 C 0.5372(9) 0.4957(5) 0.1925(5) 0.051(2) Uani 1 1 d . U . . .
H9 H 0.473053 0.512048 0.174642 0.061 Uiso 1 1 calc R . . . .
C10 C 0.6196(9) 0.5396(4) 0.2087(5) 0.049(2) Uani 1 1 d . U . . .
C11 C 0.6273(9) 0.6728(5) 0.3041(5) 0.050(2) Uani 1 1 d . U . . .
H11 H 0.702965 0.671956 0.297635 0.060 Uiso 1 1 calc R . . . .
C12 C 0.4821(11) 0.3357(5) 0.5244(5) 0.061(2) Uani 1 1 d . U . . .
C13 C 0.4030(9) 0.6742(5) 0.3242(5) 0.052(2) Uani 1 1 d . U . . .
H13 H 0.327232 0.675088 0.330274 0.063 Uiso 1 1 calc R . . . .
C14 C 0.4733(8) 0.7025(4) 0.3690(5) 0.0457(17) Uani 1 1 d . U . . .
C15 C 0.5480(8) 0.4278(5) 0.2025(5) 0.0455(19) Uani 1 1 d . U . . .
C16 C 0.4065(8) 0.5803(5) 0.5681(5) 0.0464(19) Uani 1 1 d . U . . .
C17 C 0.5510(9) 0.2842(5) 0.4255(5) 0.0544(19) Uani 1 1 d . U . . .
C18 C 0.5571(10) 0.6450(4) 0.2611(5) 0.0518(19) Uani 1 1 d . U . . .
C19 C 0.4756(9) 0.2867(5) 0.3780(6) 0.055(2) Uani 1 1 d . U . . .
C20 C 0.7289(8) 0.4452(5) 0.2420(5) 0.0468(19) Uani 1 1 d . U . . .
H20 H 0.794233 0.428601 0.258196 0.056 Uiso 1 1 calc R . . . .
C21 C 0.5086(8) 0.6665(5) 0.5135(5) 0.0489(19) Uani 1 1 d . U . . .
H21 H 0.573616 0.690135 0.507600 0.059 Uiso 1 1 calc R . . . .
C22 C 0.4255(9) 0.7337(5) 0.4271(5) 0.0517(19) Uani 1 1 d . U . . .
H22A H 0.352771 0.751301 0.418251 0.062 Uiso 1 1 calc R . . . .
H22B H 0.471765 0.770496 0.440278 0.062 Uiso 1 1 calc R . . . .
C23 C 0.5638(10) 0.3756(6) 0.5522(6) 0.065(2) Uani 1 1 d . U . . .
C24 C 0.4446(10) 0.6457(5) 0.2723(5) 0.055(2) Uani 1 1 d . U . . .
C25 C 0.3469(9) 0.4177(6) 0.5564(6) 0.059(2) Uani 1 1 d . U . . .
C26 C 0.5843(8) 0.7022(4) 0.3571(5) 0.0482(18) Uani 1 1 d . U . . .
F4 F 0.9277(7) 0.4790(6) 0.4343(7) 0.136(4) Uani 1 1 d . U . . .
C27 C 0.5373(9) 0.4349(6) 0.5807(5) 0.057(2) Uani 1 1 d . U . . .
H27 H 0.592828 0.461044 0.597769 0.069 Uiso 1 1 calc R . . . .
C28 C 0.3147(8) 0.5975(5) 0.5335(5) 0.0461(19) Uani 1 1 d . U . . .
H28 H 0.248917 0.574655 0.539690 0.055 Uiso 1 1 calc R . . . .
C29 C 0.3196(8) 0.6489(5) 0.4892(5) 0.049(2) Uani 1 1 d . U . . .
O12 O 0.3911(8) 0.4512(6) 0.3287(6) 0.096(3) Uani 1 1 d . U . . .
C30 C 0.5048(8) 0.6152(5) 0.5583(5) 0.0503(19) Uani 1 1 d . U . . .
C31 C 0.3739(10) 0.3578(6) 0.5288(6) 0.064(3) Uani 1 1 d . U . . .
H31 H 0.317929 0.331345 0.512661 0.076 Uiso 1 1 calc R . . . .
C32 C 0.6026(11) 0.6148(5) 0.2029(6) 0.060(2) Uani 1 1 d . U . . .
H32A H 0.672400 0.635798 0.193264 0.072 Uiso 1 1 calc R . . . .
H32B H 0.552411 0.623645 0.169101 0.072 Uiso 1 1 calc R . . . .
F5 F 0.9072(9) 0.5763(8) 0.4125(9) 0.175(6) Uani 1 1 d . U . . .
C33 C 0.4019(9) 0.5232(6) 0.6133(5) 0.057(2) Uani 1 1 d . U . . .
H33A H 0.329001 0.521371 0.631420 0.068 Uiso 1 1 calc R . . . .
H33B H 0.454062 0.531505 0.646345 0.068 Uiso 1 1 calc R . . . .
F6 F 0.8763(9) 0.5468(11) 0.5023(6) 0.185(7) Uani 1 1 d . U . . .
C34 C 0.5122(8) 0.3001(4) 0.3173(5) 0.0483(18) Uani 1 1 d . U . . .
H34 H 0.461153 0.301177 0.285348 0.058 Uiso 1 1 calc R . . . .
C35 C 0.5144(13) 0.2728(6) 0.4917(6) 0.072(3) Uani 1 1 d . U . . .
H35A H 0.452257 0.242373 0.491702 0.087 Uiso 1 1 calc R . . . .
H35B H 0.573822 0.251616 0.514238 0.087 Uiso 1 1 calc R . . . .
C36 C 0.2868(10) 0.2848(7) 0.3475(8) 0.079(3) Uani 1 1 d . U . . .
H36A H 0.296395 0.251533 0.316018 0.119 Uiso 1 1 calc GR . . . .
H36B H 0.293882 0.328448 0.329562 0.119 Uiso 1 1 calc GR . . . .
H36C H 0.215084 0.280209 0.365574 0.119 Uiso 1 1 calc GR . . . .
O13 O 0.6810(8) 0.5605(7) 0.4445(8) 0.129(5) Uani 1 1 d . U . . .
O14 O 0.3420(8) 0.5252(7) 0.3990(7) 0.124(5) Uani 1 1 d . U . . .
C37 C 0.7434(11) 0.5183(7) 0.4271(7) 0.073(3) Uani 1 1 d . U . . .
C38 C 0.2665(11) 0.6338(7) 0.2266(8) 0.080(4) Uani 1 1 d . U . . .
H38A H 0.257614 0.680276 0.236455 0.121 Uiso 1 1 calc GR . . . .
H38B H 0.228889 0.607181 0.256831 0.121 Uiso 1 1 calc GR . . . .
H38C H 0.236091 0.625140 0.186487 0.121 Uiso 1 1 calc GR . . . .
C39 C 0.3235(10) 0.4851(5) 0.3586(7) 0.066(3) Uani 1 1 d . U . . .
C40 C 0.7676(10) 0.7297(7) 0.3918(8) 0.074(3) Uani 1 1 d . U . . .
H40A H 0.785926 0.752213 0.354039 0.110 Uiso 1 1 calc GR . . . .
H40B H 0.790818 0.683955 0.389418 0.110 Uiso 1 1 calc GR . . . .
H40C H 0.804066 0.751239 0.425703 0.110 Uiso 1 1 calc GR . . . .
C41 C 0.8848(10) 0.3244(8) 0.3853(6) 0.074(4) Uani 1 1 d . U . . .
H41A H 0.951594 0.343280 0.369220 0.112 Uiso 1 1 calc GR . . . .
H41B H 0.899736 0.280872 0.401863 0.112 Uiso 1 1 calc GR . . . .
H41C H 0.856381 0.352720 0.417279 0.112 Uiso 1 1 calc GR . . . .
C42 C 0.3692(12) 0.4053(8) 0.1632(8) 0.093(5) Uani 1 1 d . U . . .
H42A H 0.381907 0.431570 0.126843 0.140 Uiso 1 1 calc GR . . . .
H42B H 0.335264 0.432542 0.194329 0.140 Uiso 1 1 calc GR . . . .
H42C H 0.321640 0.368534 0.153328 0.140 Uiso 1 1 calc GR . . . .
C43 C 0.6927(10) 0.6337(9) 0.5857(7) 0.086(4) Uani 1 1 d . U . . .
H43A H 0.709687 0.635644 0.542427 0.130 Uiso 1 1 calc GR . . . .
H43B H 0.751149 0.611371 0.607200 0.130 Uiso 1 1 calc GR . . . .
H43C H 0.684894 0.678286 0.601528 0.130 Uiso 1 1 calc GR . . . .
C44 C 0.1284(9) 0.6393(8) 0.4696(7) 0.078(4) Uani 1 1 d . U . . .
H44A H 0.070609 0.663954 0.449699 0.117 Uiso 1 1 calc GR . . . .
H44B H 0.117828 0.640605 0.513514 0.117 Uiso 1 1 calc GR . . . .
H44C H 0.126827 0.593769 0.455718 0.117 Uiso 1 1 calc GR . . . .
C45 C 0.1533(12) 0.4003(8) 0.5395(9) 0.091(4) Uani 1 1 d . U . . .
H45A H 0.162744 0.394352 0.495796 0.136 Uiso 1 1 calc GR . . . .
H45B H 0.084162 0.421986 0.547210 0.136 Uiso 1 1 calc GR . . . .
H45C H 0.154199 0.357583 0.559529 0.136 Uiso 1 1 calc GR . . . .
C46 C 0.9046(11) 0.5330(8) 0.2654(9) 0.092(5) Uani 1 1 d . U . . .
H46A H 0.933624 0.505097 0.233266 0.138 Uiso 1 1 calc GR . . . .
H46B H 0.896167 0.507255 0.302508 0.138 Uiso 1 1 calc GR . . . .
H46C H 0.954304 0.569404 0.272915 0.138 Uiso 1 1 calc GR . . . .
C47 C 0.2019(11) 0.4801(7) 0.3392(8) 0.076(3) Uani 1 1 d . U . . .
C48 C 0.9745(10) 0.2576(6) 0.2440(6) 0.070(3) Uani 1 1 d . U . . .
H48 H 0.904174 0.271840 0.261868 0.084 Uiso 1 1 calc R . . . .
C49 C 0.7539(12) 0.3929(10) 0.5670(9) 0.113(7) Uani 1 1 d . U . . .
H49A H 0.748020 0.434464 0.545069 0.169 Uiso 1 1 calc GR . . . .
H49B H 0.823576 0.372534 0.557936 0.169 Uiso 1 1 calc GR . . . .
H49C H 0.748415 0.401048 0.610536 0.169 Uiso 1 1 calc GR . . . .
C50 C 0.8656(12) 0.5287(9) 0.4476(9) 0.090(3) Uani 1 1 d . U . . .
Ag3 Ag 0.4943(3) 0.5135(3) 0.45789(18) 0.1031(18) Uani 0.346(4) 1 d . U P A 2
Ag4 Ag 0.5552(7) 0.5243(6) 0.3346(4) 0.088(2) Uani 0.12 1 d . U P A 2
Ag5 Ag 0.5380(10) 0.4273(5) 0.4222(7) 0.106(3) Uani 0.12 1 d . U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 2.8988(16) . ?
Ag1 O11 2.201(10) . ?
Ag1 O12 2.191(10) . ?
Ag2 O13 2.175(10) . ?
Ag2 O14 2.213(11) . ?
Cl1 C48 1.750(14) . ?
Cl2 C48 1.747(14) . ?
Cl3 C48 1.751(14) . ?
O1 C1 1.384(12) . ?
O1 C41 1.420(14) . ?
O2 C26 1.386(13) . ?
O2 C40 1.437(14) . ?
O3 C15 1.384(12) . ?
O3 C42 1.407(14) . ?
O4 C24 1.382(14) . ?
O4 C38 1.418(16) . ?
O5 C25 1.375(14) . ?
O5 C45 1.431(17) . ?
O6 C30 1.359(13) . ?
O6 C43 1.441(16) . ?
O7 C29 1.369(12) . ?
O7 C44 1.404(15) . ?
O8 C7 1.385(13) . ?
O8 C46 1.432(17) . ?
O9 C19 1.359(14) . ?
O9 C36 1.433(17) . ?
F1 C47 1.277(15) . ?
C1 C4 1.386(15) . ?
C1 C5 1.403(14) . ?
O10 C23 1.379(15) . ?
O10 C49 1.40(2) . ?
F2 C47 1.321(19) . ?
C2 C8 1.541(13) . ?
C2 C15 1.395(12) . ?
C2 C20 1.379(14) . ?
C3 C21 1.373(15) . ?
C3 C22 1.525(14) . ?
C3 C29 1.384(14) . ?
C4 H4 0.9300 . ?
C4 C17 1.391(16) . ?
C5 C8 1.496(14) . ?
C5 C34 1.373(14) . ?
C6 C25 1.388(17) . ?
C6 C27 1.403(15) . ?
C6 C33 1.509(15) . ?
C7 C10 1.397(15) . ?
C7 C20 1.390(15) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
F3 C47 1.343(18) . ?
O11 C37 1.264(17) . ?
O11 Ag5 2.510(16) . ?
C9 H9 0.9300 . ?
C9 C10 1.378(15) . ?
C9 C15 1.383(13) . ?
C10 C32 1.523(13) . ?
C11 H11 0.9300 . ?
C11 C18 1.380(15) . ?
C11 C26 1.392(15) . ?
C12 C23 1.409(19) . ?
C12 C31 1.391(17) . ?
C12 C35 1.497(16) . ?
C13 H13 0.9300 . ?
C13 C14 1.411(15) . ?
C13 C24 1.359(16) . ?
C14 C22 1.520(14) . ?
C14 C26 1.374(14) . ?
C16 C28 1.387(14) . ?
C16 C30 1.400(14) . ?
C16 C33 1.507(14) . ?
C17 C19 1.378(17) . ?
C17 C35 1.517(17) . ?
C18 C24 1.388(16) . ?
C18 C32 1.503(16) . ?
C19 C34 1.414(16) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C30 1.413(15) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C27 1.376(16) . ?
C25 C31 1.380(17) . ?
F4 C50 1.281(18) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C28 C29 1.410(14) . ?
O12 C39 1.246(15) . ?
O12 Ag4 2.476(15) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
F5 C50 1.32(2) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
F6 C50 1.25(2) . ?
C34 H34 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
O13 C37 1.197(17) . ?
O13 Ag3 2.473(13) . ?
O14 C39 1.209(16) . ?
O14 Ag3 2.260(12) . ?
C37 C50 1.56(2) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 C47 1.540(18) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C48 H48 0.9800 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
Ag3 Ag4 2.779(10) . ?
Ag3 Ag5 1.964(13) . ?
Ag4 Ag5 2.722(15) . ?

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
O11 Ag1 Ag2 80.5(3) . . ?
O12 Ag1 Ag2 80.0(3) . . ?
O12 Ag1 O11 160.1(4) . . ?
O13 Ag2 Ag1 82.0(3) . . ?
O13 Ag2 O14 156.1(6) . . ?
O14 Ag2 Ag1 80.3(3) . . ?
C1 O1 C41 118.2(9) . . ?
C26 O2 C40 117.5(9) . . ?
C15 O3 C42 116.6(9) . . ?
C24 O4 C38 117.3(10) . . ?
C25 O5 C45 118.1(10) . . ?
C30 O6 C43 117.1(10) . . ?
C29 O7 C44 117.5(9) . . ?
C7 O8 C46 118.1(10) . . ?
C19 O9 C36 117.6(11) . . ?
O1 C1 C4 124.0(9) . . ?
O1 C1 C5 115.8(9) . . ?
C4 C1 C5 120.2(9) . . ?
C23 O10 C49 116.4(11) . . ?
C15 C2 C8 120.8(8) . . ?
C20 C2 C8 120.6(8) . . ?
C20 C2 C15 118.6(9) . . ?
C21 C3 C22 120.5(9) . . ?
C21 C3 C29 119.6(10) . . ?
C29 C3 C22 119.9(9) . . ?
C1 C4 H4 119.4 . . ?
C1 C4 C17 121.3(10) . . ?
C17 C4 H4 119.4 . . ?
C1 C5 C8 121.5(9) . . ?
C34 C5 C1 118.2(10) . . ?
C34 C5 C8 120.3(9) . . ?
C25 C6 C27 118.5(10) . . ?
C25 C6 C33 121.9(10) . . ?
C27 C6 C33 119.4(11) . . ?
O8 C7 C10 117.0(9) . . ?
O8 C7 C20 122.5(10) . . ?
C20 C7 C10 120.5(9) . . ?
C2 C8 H8A 109.9 . . ?
C2 C8 H8B 109.9 . . ?
C5 C8 C2 109.1(7) . . ?
C5 C8 H8A 109.9 . . ?
C5 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
C37 O11 Ag1 123.1(8) . . ?
C37 O11 Ag5 105.2(9) . . ?
C10 C9 H9 119.3 . . ?
C10 C9 C15 121.3(9) . . ?
C15 C9 H9 119.3 . . ?
C7 C10 C32 120.9(10) . . ?
C9 C10 C7 118.3(8) . . ?
C9 C10 C32 120.7(10) . . ?
C18 C11 H11 120.2 . . ?
C18 C11 C26 119.7(10) . . ?
C26 C11 H11 120.2 . . ?
C23 C12 C35 119.7(12) . . ?
C31 C12 C23 117.1(10) . . ?
C31 C12 C35 123.2(13) . . ?
C14 C13 H13 119.6 . . ?
C24 C13 H13 119.6 . . ?
C24 C13 C14 120.8(10) . . ?
C13 C14 C22 120.2(9) . . ?
C26 C14 C13 117.7(10) . . ?
C26 C14 C22 122.1(9) . . ?
O3 C15 C2 115.1(8) . . ?
C9 C15 O3 124.3(8) . . ?
C9 C15 C2 120.4(9) . . ?
C28 C16 C30 118.8(9) . . ?
C28 C16 C33 120.6(9) . . ?
C30 C16 C33 120.6(9) . . ?
C4 C17 C35 119.9(11) . . ?
C19 C17 C4 119.0(10) . . ?
C19 C17 C35 121.0(11) . . ?
C11 C18 C24 119.2(10) . . ?
C11 C18 C32 120.0(11) . . ?
C24 C18 C32 120.8(11) . . ?
O9 C19 C17 115.8(11) . . ?
O9 C19 C34 124.8(11) . . ?
C17 C19 C34 119.5(10) . . ?
C2 C20 C7 120.8(9) . . ?
C2 C20 H20 119.6 . . ?
C7 C20 H20 119.6 . . ?
C3 C21 H21 119.5 . . ?
C3 C21 C30 121.0(9) . . ?
C30 C21 H21 119.5 . . ?
C3 C22 H22A 109.5 . . ?
C3 C22 H22B 109.5 . . ?
C14 C22 C3 110.6(7) . . ?
C14 C22 H22A 109.5 . . ?
C14 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
O10 C23 C12 114.8(11) . . ?
C27 C23 O10 124.0(12) . . ?
C27 C23 C12 121.1(11) . . ?
O4 C24 C18 115.6(11) . . ?
C13 C24 O4 123.4(11) . . ?
C13 C24 C18 121.0(10) . . ?
O5 C25 C6 115.5(10) . . ?
O5 C25 C31 124.0(12) . . ?
C31 C25 C6 120.3(11) . . ?
O2 C26 C11 122.2(9) . . ?
C14 C26 O2 116.1(9) . . ?
C14 C26 C11 121.6(10) . . ?
C6 C27 H27 119.6 . . ?
C23 C27 C6 120.7(12) . . ?
C23 C27 H27 119.6 . . ?
C16 C28 H28 119.5 . . ?
C16 C28 C29 121.0(9) . . ?
C29 C28 H28 119.5 . . ?
O7 C29 C3 117.3(9) . . ?
O7 C29 C28 122.8(9) . . ?
C3 C29 C28 119.9(9) . . ?
C39 O12 Ag1 124.2(9) . . ?
C39 O12 Ag4 100.5(8) . . ?
O6 C30 C16 116.3(9) . . ?
O6 C30 C21 124.0(9) . . ?
C16 C30 C21 119.6(9) . . ?
C12 C31 H31 119.0 . . ?
C25 C31 C12 122.1(12) . . ?
C25 C31 H31 119.0 . . ?
C10 C32 H32A 109.1 . . ?
C10 C32 H32B 109.1 . . ?
C18 C32 C10 112.3(9) . . ?
C18 C32 H32A 109.1 . . ?
C18 C32 H32B 109.1 . . ?
H32A C32 H32B 107.9 . . ?
C6 C33 H33A 108.9 . . ?
C6 C33 H33B 108.9 . . ?
C16 C33 C6 113.3(9) . . ?
C16 C33 H33A 108.9 . . ?
C16 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
C5 C34 C19 121.7(10) . . ?
C5 C34 H34 119.1 . . ?
C19 C34 H34 119.1 . . ?
C12 C35 C17 113.4(9) . . ?
C12 C35 H35A 108.9 . . ?
C12 C35 H35B 108.9 . . ?
C17 C35 H35A 108.9 . . ?
C17 C35 H35B 108.9 . . ?
H35A C35 H35B 107.7 . . ?
O9 C36 H36A 109.5 . . ?
O9 C36 H36B 109.5 . . ?
O9 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 O13 Ag2 124.0(10) . . ?
C37 O13 Ag3 110.4(11) . . ?
C39 O14 Ag2 123.2(9) . . ?
C39 O14 Ag3 119.5(10) . . ?
O11 C37 C50 114.9(12) . . ?
O13 C37 O11 130.3(13) . . ?
O13 C37 C50 114.8(13) . . ?
O4 C38 H38A 109.5 . . ?
O4 C38 H38B 109.5 . . ?
O4 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O12 C39 C47 117.2(12) . . ?
O14 C39 O12 127.9(13) . . ?
O14 C39 C47 114.7(11) . . ?
O2 C40 H40A 109.5 . . ?
O2 C40 H40B 109.5 . . ?
O2 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O1 C41 H41A 109.5 . . ?
O1 C41 H41B 109.5 . . ?
O1 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O3 C42 H42A 109.5 . . ?
O3 C42 H42B 109.5 . . ?
O3 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O6 C43 H43A 109.5 . . ?
O6 C43 H43B 109.5 . . ?
O6 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O7 C44 H44A 109.5 . . ?
O7 C44 H44B 109.5 . . ?
O7 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O5 C45 H45A 109.5 . . ?
O5 C45 H45B 109.5 . . ?
O5 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O8 C46 H46A 109.5 . . ?
O8 C46 H46B 109.5 . . ?
O8 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
F1 C47 F2 107.8(14) . . ?
F1 C47 F3 107.3(12) . . ?
F1 C47 C39 114.1(11) . . ?
F2 C47 F3 104.1(12) . . ?
F2 C47 C39 113.1(12) . . ?
F3 C47 C39 109.9(13) . . ?
Cl1 C48 Cl3 109.0(7) . . ?
Cl1 C48 H48 108.1 . . ?
Cl2 C48 Cl1 111.8(8) . . ?
Cl2 C48 Cl3 111.8(7) . . ?
Cl2 C48 H48 108.1 . . ?
Cl3 C48 H48 108.1 . . ?
O10 C49 H49A 109.5 . . ?
O10 C49 H49B 109.5 . . ?
O10 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
F4 C50 F5 101.9(15) . . ?
F4 C50 C37 113.2(14) . . ?
F5 C50 C37 107.3(15) . . ?
F6 C50 F4 112.2(17) . . ?
F6 C50 F5 107.2(18) . . ?
F6 C50 C37 114.1(13) . . ?
O13 Ag3 Ag4 67.3(4) . . ?
O14 Ag3 O13 130.2(6) . . ?
O14 Ag3 Ag4 70.6(4) . . ?
Ag5 Ag3 O13 92.3(4) . . ?
Ag5 Ag3 O14 95.2(5) . . ?
Ag5 Ag3 Ag4 67.5(5) . . ?
O12 Ag4 Ag3 77.8(4) . . ?
O12 Ag4 Ag5 63.5(4) . . ?
Ag5 Ag4 Ag3 41.8(3) . . ?
O11 Ag5 Ag4 61.8(4) . . ?
Ag3 Ag5 O11 93.6(5) . . ?
Ag3 Ag5 Ag4 70.7(4) . . ?


_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 2.996
_oxdiff_exptl_absorpt_empirical_full_min 0.345
