# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_220412ea3_auto
_audit_block_doi                 10.5517/ccdc.csd.cc2ft6t9
_database_code_depnum_ccdc_archive 'CCDC 2258561'
loop_
_audit_author_name
_audit_author_address
'Shuguo An'
;Shandong university
China
;
_audit_update_record             
;
2023-04-24 deposited with the CCDC.	2023-08-29 downloaded from the CCDC.
;
_audit_creation_date             2023-04-24
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1.333(C48 H54 Ag1.5 N6 O9), 2(B F4)'
_chemical_formula_sum            'C64 H72 Ag2 B2 F8 N8 O12'
_chemical_formula_weight         1534.65
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         CNOBFAg
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   35.3671(11)
_cell_length_b                   7.1383(2)
_cell_length_c                   28.5374(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.983(2)
_cell_angle_gamma                90
_cell_volume                     7116.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17521
_cell_measurement_temperature    293
_cell_measurement_theta_max      67.3110
_cell_measurement_theta_min      2.7530
_shelx_estimated_absorpt_T_max   0.950
_shelx_estimated_absorpt_T_min   0.861
_exptl_absorpt_coefficient_mu    5.132
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1361
_diffrn_reflns_av_unetI/netI     0.0863
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            101785
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.917
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.906
_diffrn_reflns_theta_min         2.760
_diffrn_ambient_temperature      293
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     34.00  61.00   1.00    0.10    --   48.45  57.00 -30.00   27
  2  ω     34.00  63.00   1.00    0.10    --   48.45  57.00 -90.00   29
  3  ω     27.00  52.00   1.00    0.10    --   48.45  77.00-150.00   25
  4  ω     35.00  64.00   1.00    0.10    --   48.45  57.00-120.00   29
  5  ω     59.00 121.00   1.00    0.10    --   48.45   8.00-175.00   62
  6  ω     39.00  65.00   1.00    0.10    --   48.45  38.00-150.00   26
  7  ω     35.00  60.00   1.00    0.10    --  106.49 -77.00   0.00   25
  8  ω     41.00  66.00   1.00    0.10    --  106.49 -57.00   0.00   25
  9  ω     35.00 103.00   1.00    0.10    --  106.49 -77.00  90.00   68
 10  ω     34.00  66.00   1.00    0.10    --  106.49 -57.00  90.00   32
 11  ω     76.00 103.00   1.00    0.10    --  106.49 -77.00   0.00   27
 12  ω     36.00  64.00   1.00    0.10    --  106.49 -57.00-180.00   28
 13  ω     81.00 106.00   1.00    0.10    --  106.49 -99.00-180.00   25
 14  ω     37.00  96.00   1.00    0.10    --   48.45-125.00-120.00   59
 15  ω     81.00 107.00   1.00    0.10    --  106.49-125.00 -30.00   26
 16  ω     83.00 111.00   1.00    0.10    --  106.49-125.00   0.00   28
 17  ω     35.00  65.00   1.00    0.10    --  106.49-125.00   0.00   30
 18  ω     42.00  68.00   1.00    0.10    --  106.49-125.00 -30.00   26
 19  ω     54.00 103.00   1.00    0.10    --  106.49-125.00 -60.00   49
 20  ω     34.00  77.00   1.00    0.10    --  106.49 -99.00-180.00   43
 21  ω    135.00 167.00   1.00    0.10    --  106.49   8.00-175.00   32
 22  ω    106.00 161.00   1.00    0.10    --  106.49  77.00-150.00   55
 23  ω     87.00 162.00   1.00    0.10    --  106.49  77.00-120.00   75
 24  ω     94.00 145.00   1.00    0.10    --  106.49  38.00-150.00   51
 25  ω    123.00 149.00   1.00    0.10    --  106.49  19.00 -60.00   26
 26  ω     88.00 119.00   1.00    0.10    --  106.49   8.00-175.00   31
 27  ω    109.00 177.00   1.00    0.10    --  106.49  57.00 -60.00   68
 28  ω     92.00 178.00   1.00    0.10    --  106.49  77.00 -30.00   86
 29  ω     94.00 178.00   1.00    0.10    --  106.49  57.00  30.00   84
 30  ω    140.00 178.00   1.00    0.10    --  106.49 125.00   0.00   38
 31  ω     99.00 124.00   1.00    0.10    --  106.49 125.00   0.00   25
 32  ω    -22.00  26.00   1.00    0.10    --   48.45 -19.00-150.00   48
 33  ω    -24.00   1.00   1.00    0.10    --   48.45  -8.00   9.00   25
 34  ω    -25.00   7.00   1.00    0.10    --  -48.45   8.00-175.00   32
 35  ω    -59.00 -33.00   1.00    0.10    --  -48.45 -57.00 -60.00   26
 36  ω    -87.00 -61.00   1.00    0.10    --  -48.45 -77.00 -60.00   26
 37  ω    -63.00 -26.00   1.00    0.10    --  -48.45 -77.00 -90.00   37
 38  ω    -53.00 -26.00   1.00    0.10    --  -48.45 -77.00 -60.00   27
 39  ω   -100.00 -73.00   1.00    0.10    --  -48.45 -77.00-150.00   27
 40  ω    -80.00 -37.00   1.00    0.10    --  -48.45 -19.00 -90.00   43
 41  ω    -63.00 -38.00   1.00    0.10    --  -48.45 -38.00 -60.00   25
 42  ω   -120.00 -32.00   1.00    0.10    --  -48.45  -8.00   9.00   88
 43  ω   -137.00-111.00   1.00    0.10    --  -86.25  -8.00   9.00   26
 44  ω   -149.00-123.00   1.00    0.10    --  -86.25 -77.00   0.00   26
 45  ω   -141.00-115.00   1.00    0.10    --  -86.25 -77.00 -30.00   26
 46  ω    -89.00 -63.00   1.00    0.10    --  -86.25 -77.00 -30.00   26
 47  ω    -89.00 -63.00   1.00    0.10    --  -86.25 -77.00 -86.48   26
 48  ω    -88.00 -63.00   1.00    0.10    --  -86.25 -77.00-120.00   25
 49  ω    -89.00 -63.00   1.00    0.10    --  -86.25 -77.00-150.00   26
 50  ω    -89.00 -63.00   1.00    0.10    --  -86.25 -77.00-180.00   26
 51  ω   -158.00-119.00   1.00    0.10    --  -86.25 -77.00-150.00   39
 52  ω   -140.00-114.00   1.00    0.10    --  -86.25 -77.00-120.00   26
 53  ω   -134.00-109.00   1.00    0.10    --  -86.25 -75.00 -81.07   25
 54  ω    -91.00 -64.00   1.00    0.10    --  -86.25 -75.00 -81.07   27
 55  ω    -88.00 -63.00   1.00    0.10    --  -86.25 -77.00 -90.00   25
 56  ω    -89.00 -64.00   1.00    0.10    --  -86.25 -75.00 -98.32   25
 57  ω    -90.00 -65.00   1.00    0.10    --  -86.25 -74.00 -75.28   25
 58  ω    -88.00 -63.00   1.00    0.10    --  -86.25 -77.00   0.00   25
 59  ω    -99.00 -63.00   1.00    0.10    --  -86.25 -77.00 -60.00   36
 60  ω    -93.00 -66.00   1.00    0.10    --  -86.25 -73.00 -21.87   27
 61  ω    -96.00 -68.00   1.00    0.10    --  -86.25 -70.00 -29.71   28
 62  ω   -129.00 -66.00   1.00    0.10    --  -86.25 -70.00 -48.59   63
 63  ω   -154.00-128.00   1.00    0.10    --  -86.25 -74.00 -70.88   26
 64  ω   -123.00 -97.00   1.00    0.10    --  -86.25 -74.00 -70.88   26
 65  ω    -91.00 -66.00   1.00    0.10    --  -86.25 -70.00 -79.38   25
 66  ω    -92.00 -67.00   1.00    0.10    --  -86.25 -69.00 -25.18   25
 67  ω   -102.00 -66.00   1.00    0.10    --  -86.25 -70.00 -15.52   36
 68  ω    -98.00 -67.00   1.00    0.10    --  -86.25 -67.00 -58.52   31
 69  ω    -91.00 -65.00   1.00    0.10    --  -86.25 -73.00-144.05   26
 70  ω    -94.00 -68.00   1.00    0.10    --  -86.25 -68.00-142.31   26
 71  ω    -94.00 -67.00   1.00    0.10    --  -86.25 -69.00-145.97   27
 72  ω    -93.00 -67.00   1.00    0.10    --  -86.25 -69.00-157.00   26
 73  ω    -98.00 -68.00   1.00    0.10    --  -86.25 -66.00-123.21   30
 74  ω    -96.00 -69.00   1.00    0.10    --  -86.25 -66.00-127.36   27
 75  ω   -118.00 -68.00   1.00    0.10    --  -86.25 -66.00 -63.92   50
 76  ω   -145.00-119.00   1.00    0.10    --  -86.25 -67.00 -58.52   26
 77  ω   -104.00 -67.00   1.00    0.10    --  -86.25 -67.00 -23.50   37
 78  ω   -100.00 -75.00   1.00    0.10    --  -48.45  -8.00   9.00   25
 79  ω    -94.00 -68.00   1.00    0.10    --  -86.25 -66.00-117.75   26
 80  ω    -93.00 -67.00   1.00    0.10    --  -86.25 -67.00-130.68   26
 81  ω     48.00 111.00   1.00    0.10    --   48.45-152.00  87.00   63
 82  ω    -21.00   4.00   1.00    0.10    --   14.00 102.00  13.63   25
 83  ω    -21.00   5.00   1.00    0.10    --   14.00 103.00 176.70   26
 84  ω      3.00  29.00   1.00    0.10    --   34.00  95.00  95.62   26
 85  ω      1.00  26.00   1.00    0.10    --   34.00  98.00 169.34   25
 86  ω      3.00  28.00   1.00    0.10    --   34.00  94.00  24.86   25
 87  ω    -50.00  19.00   1.00    0.10    --  -48.45  57.00 -30.00   69
 88  ω    -51.00 -26.00   1.00    0.10    --  -48.45 -77.00  90.00   25
 89  ω    -58.00 -32.00   1.00    0.10    --  -48.45 -77.00  60.00   26
 90  ω    -20.00  20.00   1.00    0.10    --  -48.45  19.00 120.00   40
 91  ω     27.00  55.00   1.00    0.10    --   48.45  77.00 150.00   28
 92  ω    -61.00 -35.00   1.00    0.10    --  -58.00 -76.00-174.39   26
 93  ω   -124.00 -97.00   1.00    0.10    --  -58.00 -76.00-174.39   27
 94  ω     35.00  60.00   1.00    0.10    --   58.00  77.00 -46.61   25
 95  ω     35.00  61.00   1.00    0.10    --   58.00  77.00   4.95   26
 96  ω     36.00  62.00   1.00    0.10    --   58.00  76.00 -25.54   26
 97  ω     35.00  61.00   1.00    0.10    --   58.00  77.00-103.36   26
 98  ω     35.00  61.00   1.00    0.10    --   58.00  77.00 -69.91   26
 99  ω     35.00  61.00   1.00    0.10    --   58.00  77.00 -83.24   26
100  ω     92.00 117.00   1.00    0.10    --   58.00  77.00 -46.61   25
101  ω    104.00 130.00   1.00    0.10    --   58.00  77.00 -14.53   26
102  ω     35.00  61.00   1.00    0.10    --   58.00  77.00 -14.53   26
103  ω     41.00  67.00   1.00    0.10    --   62.00  72.00 -96.00   26
104  ω     40.00  66.00   1.00    0.10    --   62.00  75.00-136.61   26
105  ω     41.00  67.00   1.00    0.10    --   62.00  74.00  28.82   26
106  ω     39.00  65.00   1.00    0.10    --   62.00  77.00   9.41   26
107  ω    -71.00 -45.00   1.00    0.10    --  -66.00 -72.00 -18.04   26
108  ω    -71.00 -46.00   1.00    0.10    --  -66.00 -69.00 174.12   25
109  ω    -73.00 -47.00   1.00    0.10    --  -66.00 -67.00 -73.24   26
110  ω    -72.00 -46.00   1.00    0.10    --  -66.00 -69.00 -55.16   26
111  ω    -74.00 -48.00   1.00    0.10    --  -66.00 -66.00 -98.09   26
112  ω    -74.00 -48.00   1.00    0.10    --  -66.00 -67.00-151.86   26
113  ω    -75.00 -49.00   1.00    0.10    --  -66.00 -66.00 -86.02   26
114  ω    -72.00 -46.00   1.00    0.10    --  -66.00 -69.00-171.37   26
115  ω    -71.00 -45.00   1.00    0.10    --  -66.00 -74.00-101.23   26
116  ω    -74.00 -48.00   1.00    0.10    --  -66.00 -66.00-134.83   26
117  ω     43.00  68.00   1.00    0.10    --   66.00  77.00-159.30   25
118  ω     43.00  69.00   1.00    0.10    --   66.00  77.00  53.06   26
119  ω     47.00  73.00   1.00    0.10    --   70.00  77.00  79.44   26
120  ω     48.00  74.00   1.00    0.10    --   70.00  75.00  36.69   26
121  ω    -75.00 -50.00   1.00    0.10    --  -70.00 -69.00 -29.39   25
122  ω    -79.00 -53.00   1.00    0.10    --  -74.00 -73.00 158.64   26
123  ω    -78.00 -52.00   1.00    0.10    --  -74.00 -74.00 143.44   26
124  ω    -78.00 -53.00   1.00    0.10    --  -74.00 -73.00 146.56   25
125  ω    -80.00 -55.00   1.00    0.10    --  -74.00 -67.00 -20.25   25
126  ω   -144.00-118.00   1.00    0.10    --  -74.00 -76.00  43.03   26
127  ω    -77.00 -51.00   1.00    0.10    --  -74.00 -76.00 122.76   26
128  ω    -76.00 -51.00   1.00    0.10    --  -74.00 -76.00  43.03   25
129  ω    -80.00 -54.00   1.00    0.10    --  -74.00 -71.00 173.35   26
130  ω    -80.00 -55.00   1.00    0.10    --  -78.00 -76.00 110.78   25
131  ω    -82.00 -56.00   1.00    0.10    --  -78.00 -75.00 138.62   26
132  ω    -82.00 -56.00   1.00    0.10    --  -78.00 -74.00  28.15   26
133  ω    -82.00 -57.00   1.00    0.10    --  -78.00 -73.00  19.44   25
134  ω    -84.00 -58.00   1.00    0.10    --  -78.00 -71.00 172.46   26
135  ω    -86.00 -61.00   1.00    0.10    --  -82.00 -73.00   9.23   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0143295000
_diffrn_orient_matrix_UB_12      0.0042264000
_diffrn_orient_matrix_UB_13      -0.0482699000
_diffrn_orient_matrix_UB_21      -0.0412503000
_diffrn_orient_matrix_UB_22      -0.0302698000
_diffrn_orient_matrix_UB_23      -0.0255233000
_diffrn_orient_matrix_UB_31      -0.0061367000
_diffrn_orient_matrix_UB_32      0.2136070000
_diffrn_orient_matrix_UB_33      -0.0026893000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.765
_reflns_Friedel_fraction_full    0.954
_reflns_Friedel_fraction_max     0.868
_reflns_number_gt                7763
_reflns_number_total             13750
_reflns_odcompleteness_completeness 99.70
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.835
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 
;
 Flack x determined using 2449 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.007(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         13750
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.0706
_refine_ls_restrained_S_all      1.009
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1668
_refine_ls_wR_factor_ref         0.1908
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 B11-F2 = B11-F4 = B11-F3 = B11-F5
 1.4 with sigma of 0.02
 C60-C46
 1.5 with sigma of 0.02
 C13-C2 = C13-C11 = C13-C12
 1.5 with sigma of 0.2
 O2-C45
 1.5 with sigma of 0.2
 C59-C44 = C59-C42 = C59-C43
 1.5 with sigma of 0.2
 C59-C44 = C59-H59 = C59-C42 = C59-C43
 1.5 with sigma of 0.1
 F4-B11 \\sim F5-B11
 with sigma of 0.02
 F2-B11 \\sim F4-B11
 with sigma of 0.02
 F2-B11 \\sim F3-B11
 with sigma of 0.02
 C60-C57 \\sim C60-C58 \\sim C60-C46
 with sigma of 0.02
 C13-C12 \\sim C13-C11
 with sigma of 0.02
 C13-C11 \\sim C2-C13
 with sigma of 0.02
 C59-C43 \\sim C59-C42
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C46 \\sim C60 \\sim C58: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C11: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C11 \\sim C2 \\sim C13 \\sim C12: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(C21) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(B01Z) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(B11) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C12) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C42) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C43) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O12) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C45) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 C46, C57, C60, C58
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C46, C60, C58
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C11
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C12, C13, C2, C11
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C42, C59, C43, C44
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5.a Ternary CH refined with riding coordinates:
 C11(H11), C19(H19), C57(H57), C18(H18), C60(H60), C13(H13), C44(H44), C59(H59)
5.b Aromatic/amide H refined with riding coordinates:
 C9(H9), N009(H009), N00B(H00B), C24(H24), C28(H28), C48(H48), C6(H6), C3(H3),
 C49(H49), C7(H7), C27(H27), C47(H47), C53(H53), C31(H31), N016(H016),
 N01B(H01B), C38(H38), C30(H30), C1(H1), C35(H35), C40(H40), C34(H34), C52(H52),
  C55(H55), C65(H65), C33(H33), C36(H36), C29(H29)
5.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C62(H62A,H62B,H62C), C20(H20A,H20B,H20C), C16(H16A,H16B,
 H16C), C14(H14A,H14B,H14C), C46(H46A,H46B,H46C), C58(H58A,H58B,H58C), C2(H2A,
 H2B,H2C), C12(H12A,H12B,H12C), C63(H63A,H63B,H63C), C42(H42A,H42B,H42C),
 C43(H43A,H43B,H43C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Ag01 Ag 0.50508(2) 0.45467(16) 0.24943(3) 0.0713(3) Uani 1 1 d . . . . .
Ag02 Ag 0.500000 0.2585(2) 0.000000 0.0809(5) Uani 1 2 d S T P . .
Ag03 Ag 0.500000 0.6858(2) 0.500000 0.0803(4) Uani 1 2 d S T P . .
N004 N 0.4661(3) 0.7450(17) 0.5560(3) 0.069(3) Uani 1 1 d . . . . .
N005 N 0.5107(2) 0.3647(13) 0.3231(3) 0.058(2) Uani 1 1 d . . . . .
C9 C 0.4284(3) 0.7099(19) 0.5518(3) 0.065(3) Uani 1 1 d . . . . .
H9 H 0.415237 0.678984 0.521991 0.078 Uiso 1 1 calc R U . . .
O6 O 0.4531(2) 0.4297(16) 0.4613(2) 0.082(2) Uani 1 1 d . . . . .
O9 O 0.3508(2) 0.6398(17) 0.5373(3) 0.098(3) Uani 1 1 d . . . . .
N009 N 0.3454(2) 0.2444(17) 0.1121(3) 0.074(3) Uani 1 1 d . . . . .
H009 H 0.356498 0.250304 0.141106 0.089 Uiso 1 1 calc R U . . .
C50 C 0.4674(3) 0.1212(17) 0.1388(4) 0.053(3) Uani 1 1 d . . . . .
N00B N 0.5965(3) 0.5577(18) 0.1057(3) 0.084(3) Uani 1 1 d . . . . .
H00B H 0.598022 0.603154 0.133861 0.101 Uiso 1 1 calc R U . . .
F8 F 0.6117(3) 0.7429(16) 0.2005(3) 0.127(3) Uani 1 1 d . . . . .
F7 F 0.5726(2) 0.6647(17) 0.2508(3) 0.124(4) Uani 1 1 d . . . . .
C24 C 0.4816(3) 0.3848(16) 0.3455(3) 0.054(3) Uani 1 1 d . . . . .
H24 H 0.458539 0.422522 0.327708 0.064 Uiso 1 1 calc R U . . .
C26 C 0.5477(3) 0.2768(18) 0.3981(4) 0.057(3) Uani 1 1 d . . . . .
O1 O 0.5567(3) 0.4897(18) 0.0389(3) 0.113(4) Uani 1 1 d . . . . .
N00J N 0.5003(3) 0.5517(14) 0.1775(3) 0.059(2) Uani 1 1 d . . . . .
C25 C 0.5444(3) 0.3100(18) 0.3476(4) 0.061(3) Uani 1 1 d . . . . .
C28 C 0.5837(4) 0.228(2) 0.4230(5) 0.081(4) Uani 1 1 d . . . . .
H28 H 0.586619 0.212439 0.455742 0.097 Uiso 1 1 calc R U . . .
C41 C 0.5624(4) 0.537(2) 0.0796(5) 0.080(4) Uani 1 1 d . . . . .
C48 C 0.5268(4) 0.031(2) 0.1876(4) 0.072(4) Uani 1 1 d . . . . .
H48 H 0.540152 -0.008949 0.216576 0.086 Uiso 1 1 calc R U . . .
C6 C 0.4869(4) 0.8457(17) 0.6833(4) 0.069(3) Uani 1 1 d . . . . .
H6 H 0.474822 0.854050 0.709870 0.083 Uiso 1 1 calc R U . . .
C11 C 0.3021(4) 0.660(3) 0.6003(5) 0.111(4) Uani 1 1 d D U . . .
H11 H 0.297424 0.555468 0.578003 0.134 Uiso 1 1 calc R U . . .
C8 C 0.4082(3) 0.7172(17) 0.5895(4) 0.059(3) Uani 1 1 d . . . . .
C3 C 0.5246(4) 0.8307(19) 0.6061(4) 0.067(3) Uani 1 1 d . . . . .
H3 H 0.537389 0.823439 0.580032 0.080 Uiso 1 1 calc R U . . .
C39 C 0.5281(4) 0.573(2) 0.1059(4) 0.069(4) Uani 1 1 d . . . . .
C49 C 0.4907(4) 0.0669(19) 0.1835(4) 0.071(3) Uani 1 1 d . . . . .
H49 H 0.478943 0.057902 0.210336 0.085 Uiso 1 1 calc R U . . .
C7 C 0.4261(3) 0.7611(17) 0.6326(4) 0.062(3) Uani 1 1 d . . . . .
H7 H 0.412676 0.765020 0.658142 0.075 Uiso 1 1 calc R U . . .
C27 C 0.5165(3) 0.3053(18) 0.4200(4) 0.061(3) Uani 1 1 d . . . . .
H27 H 0.518522 0.291030 0.452667 0.073 Uiso 1 1 calc R U . . .
C4 C 0.4849(3) 0.7936(17) 0.6002(4) 0.056(3) Uani 1 1 d . . . . .
O8 O 0.3433(3) 0.1761(19) 0.4555(4) 0.128(4) Uani 1 1 d . . . . .
C51 C 0.4868(3) 0.1398(17) 0.0992(4) 0.057(3) Uani 1 1 d . . . . .
C47 C 0.5467(4) 0.053(2) 0.1463(5) 0.076(4) Uani 1 1 d . . . . .
H47 H 0.572920 0.032490 0.149260 0.091 Uiso 1 1 calc R U . . .
C53 C 0.4286(3) 0.1521(16) 0.1333(4) 0.058(3) Uani 1 1 d . . . . .
H53 H 0.415673 0.139474 0.159073 0.070 Uiso 1 1 calc R U . . .
O5 O 0.2563(3) 0.440(2) 0.0570(4) 0.120(3) Uani 1 1 d . . . . .
C23 C 0.4821(3) 0.3548(17) 0.3937(4) 0.056(3) Uani 1 1 d . . . . .
C31 C 0.5757(3) 0.283(2) 0.3243(4) 0.074(3) Uani 1 1 d . . . . .
H31 H 0.573662 0.298175 0.291665 0.089 Uiso 1 1 calc R U . . .
C32 C 0.4656(4) 0.6120(18) 0.1520(4) 0.061(3) Uani 1 1 d . . . . .
N016 N 0.3444(3) 0.692(2) 0.6130(4) 0.088(3) Uani 1 1 d . . . . .
H016 H 0.355037 0.716148 0.641545 0.105 Uiso 1 1 calc R U . . .
C56 C 0.3671(4) 0.228(2) 0.0771(4) 0.073(3) Uani 1 1 d . . . . .
O3 O 0.3517(2) 0.2300(19) 0.0343(3) 0.108(4) Uani 1 1 d . . . . .
C5 C 0.4655(3) 0.8016(17) 0.6392(4) 0.058(3) Uani 1 1 d . . . . .
N01B N 0.4137(3) 0.3692(17) 0.3936(3) 0.081(3) Uani 1 1 d . . . . .
H01B H 0.411407 0.353929 0.363381 0.097 Uiso 1 1 calc R U . . .
C54 C 0.4088(4) 0.2020(18) 0.0892(4) 0.063(3) Uani 1 1 d . . . . .
C37 C 0.4633(4) 0.650(2) 0.1019(5) 0.077(4) Uani 1 1 d . . . . .
O7 O 0.3935(4) 0.051(2) 0.4324(5) 0.136(4) Uani 1 1 d . . . . .
N01G N 0.4678(3) 0.1966(16) 0.0564(3) 0.063(3) Uani 1 1 d . . . . .
C38 C 0.4951(4) 0.627(2) 0.0805(4) 0.070(4) Uani 1 1 d . . . . .
H38 H 0.493692 0.650578 0.048250 0.084 Uiso 1 1 calc R U . . .
O4 O 0.3094(4) 0.578(2) 0.0866(5) 0.140(4) Uani 1 1 d . . . . .
C10 C 0.3646(3) 0.680(2) 0.5770(4) 0.073(3) Uani 1 1 d . . . . .
F6 F 0.6220(4) 0.832(2) 0.2744(4) 0.201(7) Uani 1 1 d . . . . .
C30 C 0.6109(4) 0.231(2) 0.3522(6) 0.090(4) Uani 1 1 d . . . . .
H30 H 0.632309 0.216953 0.337396 0.108 Uiso 1 1 calc R U . . .
C1 C 0.5261(4) 0.877(2) 0.6877(5) 0.088(5) Uani 1 1 d . . . . .
H1 H 0.540219 0.898823 0.717487 0.106 Uiso 1 1 calc R U . . .
C35 C 0.3966(5) 0.719(2) 0.1028(6) 0.096(5) Uani 1 1 d . . . . .
H35 H 0.372750 0.755233 0.086836 0.115 Uiso 1 1 calc R U . . .
C17 C 0.3727(4) 0.177(3) 0.4335(5) 0.099(5) Uani 1 1 d . . . . .
C40 C 0.5304(3) 0.5336(18) 0.1545(4) 0.063(3) Uani 1 1 d . . . . .
H40 H 0.553638 0.493686 0.171302 0.075 Uiso 1 1 calc R U . . .
C34 C 0.4000(4) 0.683(2) 0.1506(5) 0.082(4) Uani 1 1 d . . . . .
H34 H 0.379005 0.696698 0.166339 0.098 Uiso 1 1 calc R U . . .
C19 C 0.3439(4) 0.450(4) 0.3827(6) 0.123(6) Uani 1 1 d . . . . .
H19 H 0.323742 0.460797 0.402543 0.148 Uiso 1 1 calc R U . . .
C61 C 0.2914(4) 0.446(3) 0.0814(5) 0.092(4) Uani 1 1 d . . . . .
C52 C 0.5267(4) 0.101(2) 0.1048(4) 0.069(3) Uani 1 1 d . . . . .
H52 H 0.539216 0.110786 0.078566 0.082 Uiso 1 1 calc R U . . .
B01Z B 0.6094(4) 0.714(3) 0.2442(5) 0.080(4) Uani 1 1 d . U . . .
C55 C 0.4307(3) 0.2256(17) 0.0520(4) 0.062(3) Uani 1 1 d . . . . .
H55 H 0.417928 0.264042 0.022569 0.074 Uiso 1 1 calc R U . . .
C65 C 0.5440(4) 0.877(2) 0.6488(4) 0.076(4) Uani 1 1 d . . . . .
H65 H 0.569795 0.907903 0.651803 0.091 Uiso 1 1 calc R U . . .
C33 C 0.4330(4) 0.6297(19) 0.1735(5) 0.074(3) Uani 1 1 d . . . . .
H33 H 0.434927 0.602028 0.205594 0.089 Uiso 1 1 calc R U . . .
C22 C 0.4486(3) 0.3878(18) 0.4178(3) 0.063(3) Uani 1 1 d . . . . .
C36 C 0.4252(5) 0.707(2) 0.0778(6) 0.089(4) Uani 1 1 d . . . . .
H36 H 0.421242 0.733114 0.045499 0.107 Uiso 1 1 calc R U . . .
C57 C 0.3045(4) 0.252(3) 0.1020(5) 0.094(4) Uani 1 1 d D . . . .
H57 H 0.297024 0.162357 0.076348 0.112 Uiso 1 1 calc R U . . .
C29 C 0.6146(4) 0.201(2) 0.4003(5) 0.086(4) Uani 1 1 d . . . . .
H29 H 0.637952 0.163367 0.417246 0.103 Uiso 1 1 calc R U . . .
C18 C 0.3795(3) 0.373(2) 0.4147(4) 0.077(4) Uani 1 1 d . . . . .
H18 H 0.384498 0.456421 0.442293 0.093 Uiso 1 1 calc R U . . .
C21 C 0.3520(7) 0.646(4) 0.3672(9) 0.188(10) Uani 1 1 d . U . . .
H21A H 0.329125 0.720600 0.365102 0.283 Uiso 1 1 calc R U . . .
H21B H 0.360215 0.642139 0.336707 0.283 Uiso 1 1 calc R U . . .
H21C H 0.371731 0.701427 0.389917 0.283 Uiso 1 1 calc R U . . .
C62 C 0.2392(5) 0.608(4) 0.0383(7) 0.168(9) Uani 1 1 d . . . . .
H62A H 0.245097 0.627335 0.006870 0.252 Uiso 1 1 calc R U . . .
H62B H 0.249056 0.711083 0.058187 0.252 Uiso 1 1 calc R U . . .
H62C H 0.211994 0.600751 0.036954 0.252 Uiso 1 1 calc R U . . .
C20 C 0.3299(5) 0.314(5) 0.3448(6) 0.173(11) Uani 1 1 d . . . . .
H20A H 0.345314 0.322006 0.320004 0.259 Uiso 1 1 calc R U . . .
H20B H 0.303736 0.340998 0.332078 0.259 Uiso 1 1 calc R U . . .
H20C H 0.331611 0.189198 0.357760 0.259 Uiso 1 1 calc R U . . .
C16 C 0.3345(5) -0.006(3) 0.4745(7) 0.174(11) Uani 1 1 d . . . . .
H16A H 0.321367 -0.081695 0.449327 0.261 Uiso 1 1 calc R U . . .
H16B H 0.318457 0.011741 0.498350 0.261 Uiso 1 1 calc R U . . .
H16C H 0.357806 -0.066440 0.488214 0.261 Uiso 1 1 calc R U . . .
F1 F 0.6311(6) 0.556(4) 0.2592(7) 0.288(10) Uani 1 1 d . U . . .
F2 F 0.43762(19) 0.2615(14) 0.2450(2) 0.096(2) Uani 1 1 d D . . . .
F4 F 0.3990(2) 0.1858(15) 0.2979(2) 0.113(3) Uani 1 1 d D . . . .
F3 F 0.3755(2) 0.243(3) 0.2188(3) 0.179(6) Uani 1 1 d D . . . .
F5 F 0.3955(4) 0.445(2) 0.2631(5) 0.214(6) Uani 1 1 d D U . . .
B11 B 0.4024(3) 0.260(2) 0.2551(4) 0.091(5) Uani 1 1 d D U . . .
O11 O 0.2514(3) 0.7890(19) 0.5518(4) 0.124(4) Uani 1 1 d . . . . .
O10 O 0.2979(3) 0.9905(19) 0.5786(5) 0.119(4) Uani 1 1 d . . . . .
C15 C 0.2846(4) 0.837(3) 0.5768(5) 0.097(5) Uani 1 1 d . . . . .
C14 C 0.2304(5) 0.948(4) 0.5248(7) 0.183(11) Uani 1 1 d . . . . .
H14A H 0.211767 0.898811 0.499779 0.274 Uiso 1 1 calc R U . . .
H14B H 0.248275 1.025146 0.511525 0.274 Uiso 1 1 calc R U . . .
H14C H 0.217785 1.021410 0.545922 0.274 Uiso 1 1 calc R U . . .
C60 C 0.2849(5) 0.191(2) 0.1413(6) 0.129(5) Uani 1 1 d D U . . .
H60 H 0.257854 0.182901 0.127215 0.155 Uiso 1 1 calc R U . . .
C46 C 0.2863(6) 0.342(3) 0.1768(7) 0.156(6) Uani 1 1 d D U . . .
H46A H 0.311908 0.391132 0.183639 0.233 Uiso 1 1 calc R U . . .
H46B H 0.278920 0.293525 0.205380 0.233 Uiso 1 1 calc R U . . .
H46C H 0.269098 0.440998 0.164590 0.233 Uiso 1 1 calc R U . . .
C58 C 0.2948(5) 0.001(3) 0.1610(7) 0.140(6) Uani 1 1 d D U . . .
H58A H 0.290221 -0.090315 0.135974 0.210 Uiso 1 1 calc R U . . .
H58B H 0.279225 -0.027946 0.184769 0.210 Uiso 1 1 calc R U . . .
H58C H 0.321316 -0.002516 0.174955 0.210 Uiso 1 1 calc R U . . .
C2 C 0.2824(5) 0.782(3) 0.6792(6) 0.140(5) Uani 1 1 d D U . . .
H2A H 0.304469 0.860872 0.679107 0.210 Uiso 1 1 calc R U . . .
H2B H 0.282266 0.735025 0.710701 0.210 Uiso 1 1 calc R U . . .
H2C H 0.259622 0.854035 0.669397 0.210 Uiso 1 1 calc R U . . .
C13 C 0.2840(5) 0.617(3) 0.6448(5) 0.136(4) Uani 1 1 d D U . . .
H13 H 0.257020 0.612668 0.630382 0.163 Uiso 1 1 calc R U . . .
C12 C 0.2903(7) 0.408(4) 0.6581(9) 0.198(7) Uani 1 1 d D U . . .
H12A H 0.271988 0.332888 0.637891 0.297 Uiso 1 1 calc R U . . .
H12B H 0.287130 0.389514 0.690556 0.297 Uiso 1 1 calc R U . . .
H12C H 0.315727 0.371354 0.653999 0.297 Uiso 1 1 calc R U . . .
O2 O 0.6414(4) 0.312(3) 0.1589(5) 0.171(6) Uani 1 1 d D . . . .
C44 C 0.6324(5) 0.504(4) 0.0875(6) 0.141(5) Uani 1 1 d D . . . .
H44 H 0.625722 0.422872 0.059828 0.169 Uiso 1 1 calc R U . . .
C45 C 0.6568(10) 0.394(6) 0.1266(13) 0.198(12) Uani 1 1 d D U . . .
O12 O 0.6892(8) 0.359(4) 0.1268(9) 0.277(11) Uani 1 1 d . U . . .
C63 C 0.6632(7) 0.191(4) 0.1962(9) 0.207(12) Uani 1 1 d . . . . .
H63A H 0.674466 0.088355 0.181463 0.311 Uiso 1 1 calc R U . . .
H63B H 0.646109 0.142171 0.216368 0.311 Uiso 1 1 calc R U . . .
H63C H 0.682977 0.262565 0.214895 0.311 Uiso 1 1 calc R U . . .
C59 C 0.6562(9) 0.667(5) 0.0741(9) 0.205(7) Uani 1 1 d D U . . .
H59 H 0.681016 0.624459 0.066808 0.246 Uiso 1 1 calc DR U . . .
C42 C 0.6605(8) 0.810(4) 0.1098(10) 0.209(7) Uani 1 1 d D U . . .
H42A H 0.636393 0.872273 0.109738 0.314 Uiso 1 1 calc R U . . .
H42B H 0.679271 0.899178 0.103289 0.314 Uiso 1 1 calc R U . . .
H42C H 0.668570 0.754344 0.140380 0.314 Uiso 1 1 calc R U . . .
C43 C 0.6358(8) 0.768(5) 0.0367(9) 0.216(7) Uani 1 1 d D U . . .
H43A H 0.624182 0.682899 0.012563 0.324 Uiso 1 1 calc R U . . .
H43B H 0.652877 0.850323 0.023596 0.324 Uiso 1 1 calc R U . . .
H43C H 0.616228 0.840190 0.048104 0.324 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 N005 2.179(9) . ?
Ag01 N00J 2.147(9) . ?
Ag02 N01G 2.159(8) 2_655 ?
Ag02 N01G 2.159(8) . ?
Ag03 N004 2.184(9) . ?
Ag03 N004 2.185(9) 2_656 ?
Ag03 O6 2.596(9) . ?
Ag03 O6 2.597(9) 2_656 ?
N004 C9 1.342(15) . ?
N004 C4 1.376(14) . ?
N005 C24 1.300(13) . ?
N005 C25 1.341(14) . ?
C9 H9 0.9300 . ?
C9 C8 1.383(15) . ?
O6 C22 1.262(11) . ?
O9 C10 1.197(13) . ?
N009 H009 0.8600 . ?
N009 C56 1.356(14) . ?
N009 C57 1.431(15) . ?
C50 C49 1.458(16) . ?
C50 C51 1.416(14) . ?
C50 C53 1.374(15) . ?
N00B H00B 0.8600 . ?
N00B C41 1.323(16) . ?
N00B C44 1.494(18) . ?
F8 B01Z 1.280(15) . ?
F7 B01Z 1.390(17) . ?
C24 H24 0.9300 . ?
C24 C23 1.391(13) . ?
C26 C25 1.447(15) . ?
C26 C28 1.402(17) . ?
C26 C27 1.367(15) . ?
O1 C41 1.197(14) . ?
N00J C32 1.394(15) . ?
N00J C40 1.342(14) . ?
C25 C31 1.392(15) . ?
C28 H28 0.9300 . ?
C28 C29 1.368(19) . ?
C41 C39 1.544(17) . ?
C48 H48 0.9300 . ?
C48 C49 1.288(16) . ?
C48 C47 1.473(16) . ?
C6 H6 0.9300 . ?
C6 C5 1.398(16) . ?
C6 C1 1.390(17) . ?
C11 H11 0.9800 . ?
C11 N016 1.500(17) . ?
C11 C15 1.51(3) . ?
C11 C13 1.540(17) . ?
C8 C7 1.330(15) . ?
C8 C10 1.551(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.411(16) . ?
C3 C65 1.343(16) . ?
C39 C38 1.330(18) . ?
C39 C40 1.404(16) . ?
C49 H49 0.9300 . ?
C7 H7 0.9300 . ?
C7 C5 1.408(16) . ?
C27 H27 0.9300 . ?
C27 C23 1.371(16) . ?
C4 C5 1.397(14) . ?
O8 C17 1.296(14) . ?
O8 C16 1.46(2) . ?
C51 N01G 1.359(14) . ?
C51 C52 1.423(16) . ?
C47 H47 0.9300 . ?
C47 C52 1.327(17) . ?
C53 H53 0.9300 . ?
C53 C54 1.387(16) . ?
O5 C61 1.325(16) . ?
O5 C62 1.41(2) . ?
C23 C22 1.479(15) . ?
C31 H31 0.9300 . ?
C31 C30 1.416(18) . ?
C32 C37 1.445(16) . ?
C32 C33 1.391(16) . ?
N016 H016 0.8600 . ?
N016 C10 1.341(14) . ?
C56 O3 1.257(13) . ?
C56 C54 1.474(17) . ?
N01B H01B 0.8600 . ?
N01B C22 1.323(13) . ?
N01B C18 1.434(13) . ?
C54 C55 1.418(15) . ?
C37 C38 1.370(18) . ?
C37 C36 1.47(2) . ?
O7 C17 1.169(18) . ?
N01G C55 1.315(14) . ?
C38 H38 0.9300 . ?
O4 C61 1.137(19) . ?
F6 B01Z 1.239(18) . ?
C30 H30 0.9300 . ?
C30 C29 1.374(18) . ?
C1 H1 0.9300 . ?
C1 C65 1.361(17) . ?
C35 H35 0.9300 . ?
C35 C34 1.376(19) . ?
C35 C36 1.33(2) . ?
C17 C18 1.53(2) . ?
C40 H40 0.9300 . ?
C34 H34 0.9300 . ?
C34 C33 1.304(17) . ?
C19 H19 0.9800 . ?
C19 C18 1.54(2) . ?
C19 C21 1.51(3) . ?
C19 C20 1.48(3) . ?
C61 C57 1.54(2) . ?
C52 H52 0.9300 . ?
B01Z F1 1.39(3) . ?
C55 H55 0.9300 . ?
C65 H65 0.9300 . ?
C33 H33 0.9300 . ?
C36 H36 0.9300 . ?
C57 H57 0.9800 . ?
C57 C60 1.472(16) . ?
C29 H29 0.9300 . ?
C18 H18 0.9800 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
F2 B11 1.320(11) . ?
F4 B11 1.352(11) . ?
F3 B11 1.300(12) . ?
F5 B11 1.366(14) . ?
O11 C15 1.321(17) . ?
O11 C14 1.50(2) . ?
O10 C15 1.193(19) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C60 H60 0.9800 . ?
C60 C46 1.476(15) . ?
C60 C58 1.495(18) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C2 C13 1.541(19) . ?
C13 H13 0.9800 . ?
C13 C12 1.55(2) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
O2 C45 1.28(3) . ?
O2 C63 1.49(3) . ?
C44 H44 0.9800 . ?
C44 C45 1.52(4) . ?
C44 C59 1.52(3) . ?
C45 O12 1.17(4) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C59 H59 0.9800 . ?
C59 C42 1.44(3) . ?
C59 C43 1.39(3) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N00J Ag01 N005 178.2(4) . . ?
N01G Ag02 N01G 156.4(6) 2_655 . ?
N004 Ag03 N004 157.7(7) . 2_656 ?
N004 Ag03 O6 102.3(3) 2_656 . ?
N004 Ag03 O6 93.4(3) . . ?
N004 Ag03 O6 102.3(3) . 2_656 ?
N004 Ag03 O6 93.4(3) 2_656 2_656 ?
O6 Ag03 O6 90.5(5) . 2_656 ?
C9 N004 Ag03 123.3(7) . . ?
C9 N004 C4 117.5(9) . . ?
C4 N004 Ag03 118.4(8) . . ?
C24 N005 Ag01 118.8(7) . . ?
C24 N005 C25 118.9(9) . . ?
C25 N005 Ag01 121.8(7) . . ?
N004 C9 H9 118.3 . . ?
N004 C9 C8 123.3(10) . . ?
C8 C9 H9 118.3 . . ?
C22 O6 Ag03 124.0(7) . . ?
C56 N009 H009 119.1 . . ?
C56 N009 C57 121.8(10) . . ?
C57 N009 H009 119.1 . . ?
C51 C50 C49 116.5(10) . . ?
C53 C50 C49 124.1(10) . . ?
C53 C50 C51 119.4(10) . . ?
C41 N00B H00B 119.2 . . ?
C41 N00B C44 121.7(11) . . ?
C44 N00B H00B 119.2 . . ?
N005 C24 H24 117.3 . . ?
N005 C24 C23 125.4(10) . . ?
C23 C24 H24 117.3 . . ?
C28 C26 C25 118.3(11) . . ?
C27 C26 C25 119.0(10) . . ?
C27 C26 C28 122.7(11) . . ?
C32 N00J Ag01 122.0(7) . . ?
C40 N00J Ag01 119.1(8) . . ?
C40 N00J C32 118.4(9) . . ?
N005 C25 C26 119.6(10) . . ?
N005 C25 C31 120.1(11) . . ?
C31 C25 C26 120.3(11) . . ?
C26 C28 H28 119.2 . . ?
C29 C28 C26 121.5(14) . . ?
C29 C28 H28 119.2 . . ?
N00B C41 C39 115.1(11) . . ?
O1 C41 N00B 125.3(12) . . ?
O1 C41 C39 119.6(13) . . ?
C49 C48 H48 120.2 . . ?
C49 C48 C47 119.7(11) . . ?
C47 C48 H48 120.2 . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C1 C6 C5 120.7(11) . . ?
N016 C11 H11 109.4 . . ?
N016 C11 C15 107.8(15) . . ?
N016 C11 C13 110.9(12) . . ?
C15 C11 H11 109.4 . . ?
C15 C11 C13 109.8(14) . . ?
C13 C11 H11 109.4 . . ?
C9 C8 C10 115.5(10) . . ?
C7 C8 C9 120.0(11) . . ?
C7 C8 C10 124.4(11) . . ?
C4 C3 H3 119.6 . . ?
C65 C3 H3 119.6 . . ?
C65 C3 C4 120.8(11) . . ?
C38 C39 C41 118.2(11) . . ?
C38 C39 C40 120.4(11) . . ?
C40 C39 C41 121.1(13) . . ?
C50 C49 H49 118.3 . . ?
C48 C49 C50 123.3(11) . . ?
C48 C49 H49 118.3 . . ?
C8 C7 H7 120.3 . . ?
C8 C7 C5 119.4(10) . . ?
C5 C7 H7 120.3 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C23 120.0(11) . . ?
C23 C27 H27 120.0 . . ?
N004 C4 C3 119.1(10) . . ?
N004 C4 C5 120.8(11) . . ?
C5 C4 C3 120.0(10) . . ?
C17 O8 C16 114.9(14) . . ?
C50 C51 C52 119.1(10) . . ?
N01G C51 C50 120.8(10) . . ?
N01G C51 C52 120.1(10) . . ?
C48 C47 H47 120.4 . . ?
C52 C47 C48 119.2(11) . . ?
C52 C47 H47 120.4 . . ?
C50 C53 H53 120.0 . . ?
C50 C53 C54 119.9(10) . . ?
C54 C53 H53 120.0 . . ?
C61 O5 C62 118.7(16) . . ?
C24 C23 C22 123.3(10) . . ?
C27 C23 C24 117.0(10) . . ?
C27 C23 C22 119.6(10) . . ?
C25 C31 H31 121.2 . . ?
C25 C31 C30 117.6(12) . . ?
C30 C31 H31 121.2 . . ?
N00J C32 C37 118.8(11) . . ?
C33 C32 N00J 121.3(10) . . ?
C33 C32 C37 119.8(12) . . ?
C11 N016 H016 122.1 . . ?
C10 N016 C11 115.8(11) . . ?
C10 N016 H016 122.1 . . ?
N009 C56 C54 120.0(10) . . ?
O3 C56 N009 120.3(11) . . ?
O3 C56 C54 119.7(11) . . ?
C6 C5 C7 123.5(10) . . ?
C4 C5 C6 117.5(11) . . ?
C4 C5 C7 119.0(10) . . ?
C22 N01B H01B 118.1 . . ?
C22 N01B C18 123.9(9) . . ?
C18 N01B H01B 118.1 . . ?
C53 C54 C56 126.1(11) . . ?
C53 C54 C55 117.0(11) . . ?
C55 C54 C56 116.9(11) . . ?
C32 C37 C36 114.8(13) . . ?
C38 C37 C32 119.7(12) . . ?
C38 C37 C36 125.5(13) . . ?
C51 N01G Ag02 119.1(8) . . ?
C55 N01G Ag02 122.1(7) . . ?
C55 N01G C51 118.6(9) . . ?
C39 C38 C37 120.2(12) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
O9 C10 C8 120.1(11) . . ?
O9 C10 N016 123.6(12) . . ?
N016 C10 C8 116.3(11) . . ?
C31 C30 H30 118.6 . . ?
C29 C30 C31 122.7(12) . . ?
C29 C30 H30 118.6 . . ?
C6 C1 H1 119.7 . . ?
C65 C1 C6 120.7(12) . . ?
C65 C1 H1 119.7 . . ?
C34 C35 H35 117.8 . . ?
C36 C35 H35 117.8 . . ?
C36 C35 C34 124.3(15) . . ?
O8 C17 C18 111.0(15) . . ?
O7 C17 O8 124.2(18) . . ?
O7 C17 C18 124.4(12) . . ?
N00J C40 C39 122.4(12) . . ?
N00J C40 H40 118.8 . . ?
C39 C40 H40 118.8 . . ?
C35 C34 H34 120.6 . . ?
C33 C34 C35 118.9(13) . . ?
C33 C34 H34 120.6 . . ?
C18 C19 H19 106.5 . . ?
C21 C19 H19 106.5 . . ?
C21 C19 C18 109.2(19) . . ?
C20 C19 H19 106.5 . . ?
C20 C19 C18 110.4(17) . . ?
C20 C19 C21 117.0(19) . . ?
O5 C61 C57 112.0(15) . . ?
O4 C61 O5 123.8(18) . . ?
O4 C61 C57 124.3(14) . . ?
C51 C52 H52 118.9 . . ?
C47 C52 C51 122.2(11) . . ?
C47 C52 H52 118.9 . . ?
F8 B01Z F7 112.1(12) . . ?
F8 B01Z F1 108.3(16) . . ?
F7 B01Z F1 103.8(16) . . ?
F6 B01Z F8 119.8(16) . . ?
F6 B01Z F7 108.7(13) . . ?
F6 B01Z F1 102.6(16) . . ?
C54 C55 H55 117.9 . . ?
N01G C55 C54 124.1(10) . . ?
N01G C55 H55 117.9 . . ?
C3 C65 C1 120.2(13) . . ?
C3 C65 H65 119.9 . . ?
C1 C65 H65 119.9 . . ?
C32 C33 H33 118.5 . . ?
C34 C33 C32 123.0(13) . . ?
C34 C33 H33 118.5 . . ?
O6 C22 C23 120.5(10) . . ?
O6 C22 N01B 120.1(10) . . ?
N01B C22 C23 119.4(9) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 C37 119.2(15) . . ?
C35 C36 H36 120.4 . . ?
N009 C57 C61 110.4(12) . . ?
N009 C57 H57 105.7 . . ?
N009 C57 C60 114.6(12) . . ?
C61 C57 H57 105.7 . . ?
C60 C57 C61 113.9(13) . . ?
C60 C57 H57 105.7 . . ?
C28 C29 C30 119.5(13) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
N01B C18 C17 108.5(11) . . ?
N01B C18 C19 115.0(11) . . ?
N01B C18 H18 106.9 . . ?
C17 C18 C19 112.2(13) . . ?
C17 C18 H18 106.9 . . ?
C19 C18 H18 106.9 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O5 C62 H62A 109.5 . . ?
O5 C62 H62B 109.5 . . ?
O5 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O8 C16 H16A 109.5 . . ?
O8 C16 H16B 109.5 . . ?
O8 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
F2 B11 F4 114.9(10) . . ?
F2 B11 F5 103.2(12) . . ?
F4 B11 F5 100.6(12) . . ?
F3 B11 F2 115.2(10) . . ?
F3 B11 F4 121.6(11) . . ?
F3 B11 F5 95.4(14) . . ?
C15 O11 C14 114.2(16) . . ?
O11 C15 C11 107.1(17) . . ?
O10 C15 C11 128.0(15) . . ?
O10 C15 O11 124.9(18) . . ?
O11 C14 H14A 109.5 . . ?
O11 C14 H14B 109.5 . . ?
O11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C57 C60 H60 104.7 . . ?
C57 C60 C46 109.7(15) . . ?
C57 C60 C58 116.5(15) . . ?
C46 C60 H60 104.7 . . ?
C46 C60 C58 115.2(17) . . ?
C58 C60 H60 104.7 . . ?
C60 C46 H46A 109.5 . . ?
C60 C46 H46B 109.5 . . ?
C60 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C60 C58 H58A 109.5 . . ?
C60 C58 H58B 109.5 . . ?
C60 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C13 C2 H2A 109.5 . . ?
C13 C2 H2B 109.5 . . ?
C13 C2 H2C 109.5 . . ?
C11 C13 C2 115.7(16) . . ?
C11 C13 H13 99.4 . . ?
C11 C13 C12 109.4(17) . . ?
C2 C13 H13 99.4 . . ?
C2 C13 C12 126.9(17) . . ?
C12 C13 H13 99.4 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C45 O2 C63 123(3) . . ?
N00B C44 H44 108.8 . . ?
N00B C44 C45 107.1(18) . . ?
N00B C44 C59 115(2) . . ?
C45 C44 H44 108.8 . . ?
C59 C44 H44 108.8 . . ?
C59 C44 C45 108(2) . . ?
O2 C45 C44 120(3) . . ?
O12 C45 O2 115(4) . . ?
O12 C45 C44 124(4) . . ?
O2 C63 H63A 109.5 . . ?
O2 C63 H63B 109.5 . . ?
O2 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C44 C59 H59 111.8 . . ?
C42 C59 C44 111(2) . . ?
C42 C59 H59 111.8 . . ?
C43 C59 C44 110(3) . . ?
C43 C59 H59 111.8 . . ?
C43 C59 C42 99(3) . . ?
C59 C42 H42A 109.5 . . ?
C59 C42 H42B 109.5 . . ?
C59 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C59 C43 H43A 109.5 . . ?
C59 C43 H43B 109.5 . . ?
C59 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?

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
Ag01 N005 C24 C23 -172.1(9) . . . . ?
Ag01 N005 C25 C26 171.3(8) . . . . ?
Ag01 N005 C25 C31 -9.5(16) . . . . ?
Ag01 N00J C32 C37 -171.2(9) . . . . ?
Ag01 N00J C32 C33 6.5(16) . . . . ?
Ag01 N00J C40 C39 172.2(10) . . . . ?
Ag02 N01G C55 C54 -174.5(9) . . . . ?
Ag03 N004 C9 C8 168.7(9) . . . . ?
Ag03 N004 C4 C3 9.4(16) . . . . ?
Ag03 N004 C4 C5 -168.9(9) . . . . ?
Ag03 O6 C22 C23 47.9(16) . . . . ?
Ag03 O6 C22 N01B -133.5(10) . . . . ?
N004 C9 C8 C7 0.1(19) . . . . ?
N004 C9 C8 C10 177.7(12) . . . . ?
N004 C4 C5 C6 177.8(12) . . . . ?
N004 C4 C5 C7 -0.7(18) . . . . ?
N005 C24 C23 C27 2.1(19) . . . . ?
N005 C24 C23 C22 177.2(11) . . . . ?
N005 C25 C31 C30 177.9(12) . . . . ?
C9 N004 C4 C3 179.7(12) . . . . ?
C9 N004 C4 C5 1.3(18) . . . . ?
C9 C8 C7 C5 0.6(19) . . . . ?
C9 C8 C10 O9 3.0(19) . . . . ?
C9 C8 C10 N016 -178.1(13) . . . . ?
N009 C56 C54 C53 15(2) . . . . ?
N009 C56 C54 C55 -166.9(12) . . . . ?
N009 C57 C60 C46 78.2(19) . . . . ?
N009 C57 C60 C58 -55(2) . . . . ?
C50 C51 N01G Ag02 171.8(9) . . . . ?
C50 C51 N01G C55 -3.2(18) . . . . ?
C50 C51 C52 C47 -2(2) . . . . ?
C50 C53 C54 C56 175.8(12) . . . . ?
C50 C53 C54 C55 -2.3(17) . . . . ?
N00B C41 C39 C38 153.8(13) . . . . ?
N00B C41 C39 C40 -31.6(19) . . . . ?
N00B C44 C45 O2 22(4) . . . . ?
N00B C44 C45 O12 -167(4) . . . . ?
N00B C44 C59 C42 46(3) . . . . ?
N00B C44 C59 C43 -63(3) . . . . ?
C24 N005 C25 C26 -0.7(17) . . . . ?
C24 N005 C25 C31 178.4(11) . . . . ?
C24 C23 C22 O6 -152.4(12) . . . . ?
C24 C23 C22 N01B 29.0(18) . . . . ?
C26 C25 C31 C30 -2.9(19) . . . . ?
C26 C28 C29 C30 3(2) . . . . ?
C26 C27 C23 C24 -3.8(18) . . . . ?
C26 C27 C23 C22 -179.2(11) . . . . ?
O1 C41 C39 C38 -28(2) . . . . ?
O1 C41 C39 C40 146.9(14) . . . . ?
N00J C32 C37 C38 -0.5(19) . . . . ?
N00J C32 C37 C36 178.1(12) . . . . ?
N00J C32 C33 C34 -179.1(13) . . . . ?
C25 N005 C24 C23 0.2(18) . . . . ?
C25 C26 C28 C29 -3(2) . . . . ?
C25 C26 C27 C23 3.4(19) . . . . ?
C25 C31 C30 C29 2(2) . . . . ?
C28 C26 C25 N005 -177.3(11) . . . . ?
C28 C26 C25 C31 3.6(18) . . . . ?
C28 C26 C27 C23 179.4(12) . . . . ?
C41 N00B C44 C45 -134(2) . . . . ?
C41 N00B C44 C59 106(2) . . . . ?
C41 C39 C38 C37 176.0(12) . . . . ?
C41 C39 C40 N00J -175.5(11) . . . . ?
C48 C47 C52 C51 2(2) . . . . ?
C6 C1 C65 C3 -5(2) . . . . ?
C11 N016 C10 O9 -3(2) . . . . ?
C11 N016 C10 C8 178.4(14) . . . . ?
C8 C7 C5 C6 -178.7(12) . . . . ?
C8 C7 C5 C4 -0.3(18) . . . . ?
C3 C4 C5 C6 -0.5(17) . . . . ?
C3 C4 C5 C7 -179.0(12) . . . . ?
C49 C50 C51 N01G -177.5(11) . . . . ?
C49 C50 C51 C52 1.3(17) . . . . ?
C49 C50 C53 C54 -179.5(12) . . . . ?
C49 C48 C47 C52 -3(2) . . . . ?
C7 C8 C10 O9 -179.6(14) . . . . ?
C7 C8 C10 N016 -1(2) . . . . ?
C27 C26 C25 N005 -1.1(18) . . . . ?
C27 C26 C25 C31 179.8(12) . . . . ?
C27 C26 C28 C29 -179.5(13) . . . . ?
C27 C23 C22 O6 22.6(18) . . . . ?
C27 C23 C22 N01B -156.0(12) . . . . ?
C4 N004 C9 C8 -1.1(19) . . . . ?
C4 C3 C65 C1 4(2) . . . . ?
O8 C17 C18 N01B 176.2(11) . . . . ?
O8 C17 C18 C19 -55.6(16) . . . . ?
C51 C50 C49 C48 -2.2(19) . . . . ?
C51 C50 C53 C54 -0.4(17) . . . . ?
C51 N01G C55 C54 0.2(19) . . . . ?
C47 C48 C49 C50 3(2) . . . . ?
C53 C50 C49 C48 177.0(14) . . . . ?
C53 C50 C51 N01G 3.3(17) . . . . ?
C53 C50 C51 C52 -177.9(12) . . . . ?
C53 C54 C55 N01G 2.5(19) . . . . ?
O5 C61 C57 N009 158.4(11) . . . . ?
O5 C61 C57 C60 -71.0(17) . . . . ?
C31 C30 C29 C28 -2(2) . . . . ?
C32 N00J C40 C39 -0.1(18) . . . . ?
C32 C37 C38 C39 -1(2) . . . . ?
C32 C37 C36 C35 0(2) . . . . ?
N016 C11 C15 O11 158.8(11) . . . . ?
N016 C11 C15 O10 -19(2) . . . . ?
N016 C11 C13 C2 70(2) . . . . ?
N016 C11 C13 C12 -81(2) . . . . ?
C56 N009 C57 C61 -74.4(17) . . . . ?
C56 N009 C57 C60 155.4(14) . . . . ?
C56 C54 C55 N01G -175.8(12) . . . . ?
O3 C56 C54 C53 -163.5(14) . . . . ?
O3 C56 C54 C55 14.6(19) . . . . ?
C5 C6 C1 C65 4(2) . . . . ?
C37 C32 C33 C34 -1(2) . . . . ?
O7 C17 C18 N01B 3(2) . . . . ?
O7 C17 C18 C19 131.4(18) . . . . ?
N01G C51 C52 C47 177.3(14) . . . . ?
C38 C39 C40 N00J -1(2) . . . . ?
C38 C37 C36 C35 178.7(15) . . . . ?
O4 C61 C57 N009 -22(2) . . . . ?
O4 C61 C57 C60 108.4(19) . . . . ?
C10 C8 C7 C5 -176.7(11) . . . . ?
C1 C6 C5 C7 177.5(13) . . . . ?
C1 C6 C5 C4 -1.0(19) . . . . ?
C35 C34 C33 C32 2(2) . . . . ?
C40 N00J C32 C37 0.8(16) . . . . ?
C40 N00J C32 C33 178.5(11) . . . . ?
C40 C39 C38 C37 1(2) . . . . ?
C34 C35 C36 C37 0(2) . . . . ?
C61 C57 C60 C46 -50.2(19) . . . . ?
C61 C57 C60 C58 176.7(15) . . . . ?
C52 C51 N01G Ag02 -7.1(15) . . . . ?
C52 C51 N01G C55 178.0(12) . . . . ?
C65 C3 C4 N004 -179.3(13) . . . . ?
C65 C3 C4 C5 -0.9(19) . . . . ?
C33 C32 C37 C38 -178.3(13) . . . . ?
C33 C32 C37 C36 0.4(18) . . . . ?
C22 N01B C18 C17 -83.7(15) . . . . ?
C22 N01B C18 C19 149.7(16) . . . . ?
C36 C37 C38 C39 -179.0(14) . . . . ?
C36 C35 C34 C33 -1(3) . . . . ?
C57 N009 C56 O3 4(2) . . . . ?
C57 N009 C56 C54 -174.2(13) . . . . ?
C18 N01B C22 O6 -7(2) . . . . ?
C18 N01B C22 C23 171.3(12) . . . . ?
C21 C19 C18 N01B -58(2) . . . . ?
C21 C19 C18 C17 177.5(15) . . . . ?
C62 O5 C61 O4 -3(2) . . . . ?
C62 O5 C61 C57 176.2(14) . . . . ?
C20 C19 C18 N01B 72.2(19) . . . . ?
C20 C19 C18 C17 -52.5(16) . . . . ?
C16 O8 C17 O7 -7(3) . . . . ?
C16 O8 C17 C18 179.5(14) . . . . ?
C15 C11 N016 C10 -77.3(17) . . . . ?
C15 C11 C13 C2 -49(2) . . . . ?
C15 C11 C13 C12 159.6(18) . . . . ?
C14 O11 C15 C11 -178.5(13) . . . . ?
C14 O11 C15 O10 -1(2) . . . . ?
C13 C11 N016 C10 162.5(15) . . . . ?
C13 C11 C15 O11 -80.2(16) . . . . ?
C13 C11 C15 O10 102(2) . . . . ?
C44 N00B C41 O1 -6(3) . . . . ?
C44 N00B C41 C39 172.0(15) . . . . ?
C45 C44 C59 C42 -74(3) . . . . ?
C45 C44 C59 C43 177(3) . . . . ?
C63 O2 C45 C44 175(2) . . . . ?
C63 O2 C45 O12 4(5) . . . . ?
C59 C44 C45 O2 147(3) . . . . ?
C59 C44 C45 O12 -42(5) . . . . ?

_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 3.169
_oxdiff_exptl_absorpt_empirical_full_min 0.286
