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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_20161101f2-2_sq
_database_code_depnum_ccdc_archive 'CCDC 1956711'
loop_
_audit_author_name
_audit_author_address
'Yi-Man Wang'
;Zhengzhou University
China
;
_audit_update_record             
;
2019-11-05 deposited with the CCDC.	2019-11-12 downloaded from the CCDC.
;
_audit_creation_date             2019-11-04
_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         '1(C84 H96 Ag12 F18 N12 O12 S6)'
_chemical_formula_sum            'C84 H96 Ag12 F18 N12 O12 S6'
_chemical_formula_weight         3294.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           191
_space_group_name_H-M_alt        'P 6/m m m'
_space_group_name_Hall           '-P 6 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z'
'-y, x-y, z'
'-x, -y, z'
'-x+y, -x, z'
'y, -x+y, z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'-x+y, -x, -z'
'y, -x+y, -z'
'x, y, -z'
'x-y, x, -z'
'-y, x-y, -z'
'-x+y, y, z'
'x, x-y, z'
'-y, -x, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'

_cell_length_a                   23.5654(5)
_cell_length_b                   23.5654(5)
_cell_length_c                   11.2007(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     5386.7(3)
_cell_formula_units_Z            1.00008
_cell_measurement_reflns_used    1579
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.490
_cell_measurement_theta_min      2.165
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.477
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ad
_exptl_crystal_density_diffrn    1.016
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1602
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.943
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18296
_diffrn_reflns_point_group_measured_fraction_full 0.943
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_theta_full        66.490
_diffrn_reflns_theta_max         66.490
_diffrn_reflns_theta_min         2.165
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1330
_reflns_number_total             1779
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.714
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       0.00048(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         1779
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0896
_refine_ls_restrained_S_all      1.103
_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)+(0.1983P)²+2.6185P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2569
_refine_ls_wR_factor_ref         0.2665
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{O2, C6}
3. Restrained distances
 F12-F12_$1
 2.2 with sigma of 0.02
 N58_$2-C5A
 1.47 with sigma of 0.02
 C5A_$3-C5A_$4 = C5A_$2-C5A
 2.3 with sigma of 0.02
 C8-C6
 1.53 with sigma of 0.01
 C8-C8_$1 \\sim C8_$1-C7
 with sigma of 0.01
 F12-C10 \\sim F9-C10
 with sigma of 0.01
 N1-C1 \\sim C2-C1 \\sim C3-C2
 with sigma of 0.01
 C9-F9 \\sim C9-F12 \\sim F9-F12
 with sigma of 0.04
 C10-C9 \\sim C10-F9 \\sim C10-F12
 with sigma of 0.02
 C8-C6 \\sim C7-C6
 with sigma of 0.01
 O2-C9 \\sim O1-C9
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(F9) \\sim Ueq, Uanis(F12) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C5A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O2) = Uanis(C6)
Uanis(N1) = Uanis(N58)
Uanis(C9) = Uanis(C10)
5. Others
 Fixed Sof: Ag2(0.25) S1(0.25) C6(0.25) O1(0.25) C9(0.25) C8(0.5) H8A(0.5)
 H8B(0.5) H8C(0.5) C7(0.25) H7B(0.25) H7A(0.25) H7C(0.25) C10(0.25) O2(0.25)
 F9(0.25) F12(0.5) C5A(0.5) N58(0.25) H58A(0.25) H58B(0.25) H58C(0.25)
6.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2)
6.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C7(H7B,H7A,H7C), N58(H58A,H58B,H58C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.83760(4) 0.000000 0.000000 0.1021(7) Uani 1 4 d S T P . .
Ag2 Ag 0.91417(6) -0.04291(3) -0.17400(15) 0.0801(7) Uani 0.5 2 d S T P A 1
S1 S 0.8635(2) -0.06825(10) -0.1433(4) 0.0753(11) Uani 0.5 2 d S T P A 2
C6 C 0.8154(5) -0.0923(2) -0.2949(9) 0.107(3) Uani 0.5 2 d DS T P A 2
O1 O 0.7633(8) -0.1184(4) -0.1380(14) 0.103(4) Uani 0.5 2 d DS T P A 1
C9 C 0.7657(10) -0.1171(5) -0.2425(14) 0.112(5) Uani 0.5 2 d DS T P A 1
C8 C 0.7732(6) -0.0589(5) -0.2899(17) 0.107(5) Uani 0.5 1 d D . . A 2
H8A H 0.800152 -0.013895 -0.266748 0.161 Uiso 0.5 1 calc GR . . A 2
H8B H 0.738660 -0.081056 -0.232594 0.161 Uiso 0.5 1 calc GR . . A 2
H8C H 0.754599 -0.061015 -0.367134 0.161 Uiso 0.5 1 calc GR . . A 2
C7 C 0.8634(11) -0.0683(6) -0.4018(12) 0.124(11) Uani 0.5 2 d DS T P A 2
H7B H 0.841492 -0.064757 -0.471299 0.186 Uiso 0.25 1 calc GR . . A 2
H7A H 0.877958 -0.099071 -0.416966 0.186 Uiso 0.25 1 calc GR . . A 2
H7C H 0.900404 -0.026245 -0.383523 0.186 Uiso 0.25 1 calc GR . . A 2
C10 C 0.7072(9) -0.1464(4) -0.3146(16) 0.112(5) Uani 0.5 2 d DS T P A 1
O2 O 0.8154(5) -0.0923(2) -0.2949(9) 0.107(3) Uani 0.5 2 d DS T P A 1
F9 F 0.6494(12) -0.1753(6) -0.243(3) 0.222(12) Uani 0.5 2 d DS TU P A 1
F12 F 0.7052(11) -0.1009(7) -0.396(2) 0.261(11) Uani 0.5 1 d D U . A 1
N1 N 0.7425(6) 0.000000 0.000000 0.122(5) Uani 1 4 d DS T P A .
C3 C 0.6213(8) 0.000000 0.000000 0.136(8) Uani 1 4 d DS T P . .
C4 C 0.5606(7) 0.000000 0.000000 0.127(7) Uani 1 4 d S T P . .
C1 C 0.6834(5) -0.0550(7) 0.000000 0.129(5) Uani 1 2 d DS TU P . .
H1 H 0.681854 -0.095182 0.000000 0.154 Uiso 1 2 calc RS T P A .
C2 C 0.6261(9) -0.0548(9) 0.000000 0.140(5) Uani 1 2 d DS TU P A .
H2 H 0.587424 -0.095053 0.000000 0.168 Uiso 1 2 calc RS T P . .
C5A C 0.4996(10) -0.0561(3) 0.053(2) 0.129(6) Uani 0.5 1 d D U . . .
N58 N 0.6162(11) 0.1104(14) 0.097(3) 0.122(5) Uani 0.25 1 d D . . . .
H58A H 0.638154 0.136809 0.036300 0.146 Uiso 0.25 1 calc GR . . . .
H58B H 0.640388 0.095368 0.130125 0.146 Uiso 0.25 1 calc GR . . . .
H58C H 0.607358 0.132592 0.150908 0.146 Uiso 0.25 1 calc GR . . . .


_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 3.1466(14) 15_665 ?
Ag1 Ag2 3.1467(14) . ?
Ag1 Ag2 3.1466(14) 6_665 ?
Ag1 Ag2 3.1468(14) 16 ?
Ag1 S1 2.553(3) 6_665 ?
Ag1 S1 2.553(3) 15_665 ?
Ag1 S1 2.553(3) 16 ?
Ag1 S1 2.553(3) . ?
Ag1 N1 2.241(14) . ?
Ag2 Ag2 3.034(2) 3_645 ?
Ag2 Ag2 1.7515(13) 2_545 ?
Ag2 Ag2 3.034(2) 5_765 ?
Ag2 Ag2 1.7517(13) 6_665 ?
Ag2 O2 2.429(10) . ?
S1 C6 1.962(11) . ?
C6 C8 1.548(8) . ?
C6 C8 1.547(8) 20_545 ?
C6 C7 1.547(12) . ?
O1 C9 1.172(15) . ?
C9 C10 1.441(19) . ?
C9 O2 1.171(15) . ?
C10 F9 1.427(16) . ?
C10 F12 1.429(15) . ?
C10 F12 1.430(15) 20_545 ?
N1 C1 1.348(11) 7 ?
N1 C1 1.348(11) . ?
C3 C4 1.43(2) . ?
C3 C2 1.352(11) 7 ?
C3 C2 1.352(11) . ?
C4 C5A 1.506(18) 23 ?
C4 C5A 1.506(18) 16 ?
C4 C5A 1.506(18) 7 ?
C4 C5A 1.506(18) . ?
C1 C2 1.352(11) . ?
C5A C5A 1.77(4) 11_655 ?
C5A C5A 1.19(4) 16 ?
C5A C5A 1.30(4) 19_655 ?
C5A N58 1.444(18) 23 ?

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
Ag2 Ag1 Ag2 76.54(6) 15_665 6_665 ?
Ag2 Ag1 Ag2 32.32(3) 15_665 16 ?
Ag2 Ag1 Ag2 85.54(6) 6_665 16 ?
Ag2 Ag1 Ag2 85.54(6) 15_665 . ?
Ag2 Ag1 Ag2 32.32(3) 6_665 . ?
Ag2 Ag1 Ag2 76.54(6) . 16 ?
S1 Ag1 Ag2 18.55(9) 16 16 ?
S1 Ag1 Ag2 97.73(10) 6_665 16 ?
S1 Ag1 Ag2 49.89(9) 15_665 16 ?
S1 Ag1 Ag2 80.26(9) . 16 ?
S1 Ag1 S1 77.93(17) 16 . ?
N1 Ag1 Ag2 137.23(3) . 15_665 ?
N1 Ag1 Ag2 137.23(3) . 6_665 ?
N1 Ag1 Ag2 137.23(3) . 16 ?
N1 Ag1 Ag2 137.23(3) . . ?
N1 Ag1 S1 123.65(9) . 15_665 ?
N1 Ag1 S1 123.65(9) . . ?
N1 Ag1 S1 123.65(9) . 16 ?
N1 Ag1 S1 123.65(9) . 6_665 ?
Ag1 Ag2 Ag1 74.90(3) . 2_545 ?
Ag2 Ag2 Ag1 73.841(17) 2_545 2_545 ?
Ag2 Ag2 Ag1 97.24(2) 3_645 2_545 ?
Ag2 Ag2 Ag1 137.23(3) 5_765 2_545 ?
Ag2 Ag2 Ag1 140.80(3) 6_665 2_545 ?
Ag2 Ag2 Ag1 97.24(2) 5_765 . ?
Ag2 Ag2 Ag1 137.23(3) 3_645 . ?
Ag2 Ag2 Ag1 73.835(17) 6_665 . ?
Ag2 Ag2 Ag1 140.80(3) 2_545 . ?
Ag2 Ag2 Ag2 59.999(1) 5_765 3_645 ?
Ag2 Ag2 Ag2 90.005(1) 6_665 3_645 ?
Ag2 Ag2 Ag2 30.0 2_545 3_645 ?
Ag2 Ag2 Ag2 120.004(1) 2_545 6_665 ?
Ag2 Ag2 Ag2 89.999(1) 2_545 5_765 ?
Ag2 Ag2 Ag2 30.0 6_665 5_765 ?
Ag2 Ag2 O2 114.52(7) 2_545 . ?
Ag2 Ag2 O2 114.52(7) 6_665 . ?
O2 Ag2 Ag1 86.16(19) . 2_545 ?
O2 Ag2 Ag1 86.17(19) . . ?
O2 Ag2 Ag2 135.97(17) . 5_765 ?
O2 Ag2 Ag2 135.96(17) . 3_645 ?
Ag1 S1 Ag1 97.09(16) . 2_545 ?
C6 S1 Ag1 116.1(2) . 2_545 ?
C6 S1 Ag1 116.2(2) . . ?
C8 C6 S1 104.3(8) 20_545 . ?
C8 C6 S1 104.3(8) . . ?
C8 C6 C8 112.2(8) 20_545 . ?
C7 C6 S1 110.7(9) . . ?
C7 C6 C8 112.5(6) . . ?
C7 C6 C8 112.3(6) . 20_545 ?
O1 C9 C10 121.6(17) . . ?
O2 C9 O1 122(2) . . ?
O2 C9 C10 115.9(14) . . ?
F9 C10 C9 111.7(15) . . ?
F12 C10 C9 112.6(11) . . ?
F12 C10 C9 112.4(11) 20_545 . ?
F12 C10 F9 109.7(13) . . ?
F12 C10 F9 109.6(13) 20_545 . ?
F12 C10 F12 100.2(17) . 20_545 ?
C9 O2 Ag2 116.1(12) . . ?
C1 N1 Ag1 123.6(8) 7 . ?
C1 N1 Ag1 123.6(8) . . ?
C1 N1 C1 112.7(17) 7 . ?
C2 C3 C4 124.1(11) . . ?
C2 C3 C4 124.1(11) 7 . ?
C2 C3 C2 112(2) . 7 ?
C3 C4 C5A 121.1(9) . . ?
C3 C4 C5A 121.1(9) . 7 ?
C3 C4 C5A 121.1(9) . 16 ?
C3 C4 C5A 121.1(9) . 23 ?
C5A C4 C5A 46.6(16) 7 23 ?
C5A C4 C5A 117.9(18) 16 23 ?
C5A C4 C5A 117.9(18) 7 . ?
C5A C4 C5A 98.9(15) 23 . ?
C5A C4 C5A 46.6(16) 16 . ?
C5A C4 C5A 98.9(15) 16 7 ?
N1 C1 C2 123.5(16) . . ?
C3 C2 C1 124.3(18) . . ?
C4 C5A C5A 96.5(14) . 11_655 ?
C5A C5A C4 121.1(9) 19_655 . ?
C5A C5A C4 66.7(8) 16 . ?
C5A C5A C5A 90.003(2) 16 19_655 ?
C5A C5A C5A 42.5(15) 19_655 11_655 ?
C5A C5A C5A 47.5(15) 16 11_655 ?
C5A C5A N58 123.0(15) 19_655 23 ?
C5A C5A N58 109.8(17) 16 23 ?
N58 C5A C4 116(2) 23 . ?
N58 C5A C5A 129.0(16) 23 11_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N1 C1 C2 180.0 . . . . ?
O1 C9 C10 F9 -0.249(6) . . . . ?
O1 C9 C10 F12 -124.0(12) . . . 20_545 ?
O1 C9 C10 F12 123.7(11) . . . . ?
O1 C9 O2 Ag2 0.153(14) . . . . ?
C10 C9 O2 Ag2 179.915(3) . . . . ?
O2 C9 C10 F9 179.987(4) . . . . ?
O2 C9 C10 F12 56.2(12) . . . 20_545 ?
O2 C9 C10 F12 -56.0(12) . . . . ?
N1 C1 C2 C3 0.0 . . . . ?
C3 C4 C5A C5A 180.000(2) . . . 19_655 ?
C3 C4 C5A C5A -105.0(6) . . . 16 ?
C3 C4 C5A C5A -142.9(9) . . . 11_655 ?
C3 C4 C5A N58 -4(2) . . . 23 ?
C4 C3 C2 C1 180.0 . . . . ?
C1 N1 C1 C2 0.0 7 . . . ?
C2 C3 C4 C5A -152.5(9) . . . 7 ?
C2 C3 C4 C5A 27.5(9) . . . . ?
C2 C3 C4 C5A -27.5(9) . . . 16 ?
C2 C3 C4 C5A -27.5(9) 7 . . 23 ?
C2 C3 C4 C5A 152.5(9) . . . 23 ?
C2 C3 C4 C5A 152.5(9) 7 . . 16 ?
C2 C3 C4 C5A 27.5(9) 7 . . 7 ?
C2 C3 C4 C5A -152.5(9) 7 . . . ?
C2 C3 C2 C1 0.0 7 . . . ?
C5A C4 C5A C5A 37.1(9) 7 . . 11_655 ?
C5A C4 C5A C5A -37.9(15) 16 . . 11_655 ?
C5A C4 C5A C5A 82.3(17) 23 . . 11_655 ?
C5A C4 C5A C5A 75.0(6) 7 . . 16 ?
C5A C4 C5A C5A 0.001(1) 7 . . 19_655 ?
C5A C4 C5A C5A 120.2(13) 23 . . 16 ?
C5A C4 C5A C5A 45.3(14) 23 . . 19_655 ?
C5A C4 C5A C5A -75.0(6) 16 . . 19_655 ?
C5A C4 C5A N58 176(2) 7 . . 23 ?
C5A C4 C5A N58 102(2) 16 . . 23 ?
C5A C4 C5A N58 -138.2(19) 23 . . 23 ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.271 0.564 -0.079 2656 -94 ' '
2 0.000 0.000 0.500 6 1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
