# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_M
_audit_block_doi                 10.5517/ccdc.csd.cc21f5xl
_database_code_depnum_ccdc_archive 'CCDC 1889509'
loop_
_audit_author_name
_audit_author_address
'Na Sun'
;Nankai University
China
;
_audit_update_record             
;
2019-01-25 deposited with the CCDC.	2019-08-13 downloaded from the CCDC.
;
_audit_creation_date             2019-01-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C26 H20 Ag N8, Cl O4'
_chemical_formula_sum            'C26 H20 Ag Cl N8 O4'
_chemical_formula_weight         651.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.078(5)
_cell_length_b                   12.193(2)
_cell_length_c                   16.998(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.78(3)
_cell_angle_gamma                90
_cell_volume                     5247.0(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    26148
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.481
_cell_measurement_theta_min      3.219
_shelx_estimated_absorpt_T_max   0.809
_shelx_estimated_absorpt_T_min   0.803
_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  0.8093
_exptl_absorpt_correction_T_min  0.8025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Higashi,1995
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1161
_diffrn_reflns_av_unetI/netI     0.1062
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26148
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         3.219
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3026
_reflns_number_total             5990
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5990
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1878
_refine_ls_R_factor_gt           0.0815
_refine_ls_restrained_S_all      1.098
_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)+(0.0224P)²+8.7347P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
_refine_ls_wR_factor_ref         0.1162
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O7) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O5)=Sof(O6)=Sof(O7)=1-FVAR(1)
 Sof(O2)=Sof(O3)=Sof(O4)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C9(H9a,H9b), C18(H18a,H18b)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C14(H14), C15(H15),
 C16(H16), C17(H17), C19(H19), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26)
;
_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
Ag1 Ag 0.93635(2) 0.38245(3) 0.54679(3) 0.0723(2) Uani 1 1 d . . . . .
C1 C 0.7740(2) 0.6448(4) 0.5717(3) 0.0472(14) Uani 1 1 d . . . . .
C2 C 0.7378(2) 0.6501(4) 0.6135(4) 0.0572(15) Uani 1 1 d . . . . .
H2 H 0.7064 0.6105 0.5934 0.069 Uiso 1 1 calc R . . . .
C3 C 0.7488(2) 0.7140(5) 0.6840(4) 0.0661(17) Uani 1 1 d . . . . .
H3 H 0.7249 0.7167 0.7121 0.079 Uiso 1 1 calc R . . . .
C4 C 0.7955(2) 0.7751(4) 0.7141(4) 0.0592(15) Uani 1 1 d . . . . .
H4 H 0.8023 0.8178 0.7622 0.071 Uiso 1 1 calc R . . . .
C5 C 0.8311(2) 0.7731(4) 0.6741(3) 0.0516(14) Uani 1 1 d . . . . .
H5 H 0.8617 0.8152 0.6941 0.062 Uiso 1 1 calc R . . . .
C6 C 0.8211(2) 0.7061(4) 0.6014(3) 0.0474(14) Uani 1 1 d . . . . .
C7 C 0.7991(2) 0.5748(4) 0.4650(3) 0.0462(13) Uani 1 1 d . . . . .
C8 C 0.84656(19) 0.6375(4) 0.4962(3) 0.0456(13) Uani 1 1 d . . . . .
C9 C 0.7845(2) 0.5001(4) 0.3889(3) 0.0561(15) Uani 1 1 d . . . . .
H9A H 0.7483 0.5143 0.3529 0.067 Uiso 1 1 calc R . . . .
H9B H 0.8071 0.5162 0.3570 0.067 Uiso 1 1 calc R . . . .
C10 C 0.7522(2) 0.3075(5) 0.3911(3) 0.0611(16) Uani 1 1 d . . . . .
H10 H 0.7167 0.3173 0.3584 0.073 Uiso 1 1 calc R . . . .
C11 C 0.7759(2) 0.2114(5) 0.4263(4) 0.0609(16) Uani 1 1 d . . . . .
H11 H 0.7599 0.1431 0.4219 0.073 Uiso 1 1 calc R . . . .
C12 C 0.8289(2) 0.2363(4) 0.4703(3) 0.0469(14) Uani 1 1 d . . . . .
C13 C 0.8713(2) 0.1632(4) 0.5189(3) 0.0493(14) Uani 1 1 d . . . . .
C14 C 0.8615(2) 0.0552(5) 0.5351(4) 0.0629(16) Uani 1 1 d . . . . .
H14 H 0.8270 0.0289 0.5165 0.075 Uiso 1 1 calc R . . . .
C15 C 0.9024(3) -0.0125(5) 0.5782(4) 0.0755(19) Uani 1 1 d . . . . .
H15 H 0.8956 -0.0847 0.5890 0.091 Uiso 1 1 calc R . . . .
C16 C 0.9536(3) 0.0261(5) 0.6058(4) 0.0743(18) Uani 1 1 d . . . . .
H16 H 0.9820 -0.0188 0.6345 0.089 Uiso 1 1 calc R . . . .
C17 C 0.9606(2) 0.1344(5) 0.5889(4) 0.0686(17) Uani 1 1 d . . . . .
H17 H 0.9949 0.1615 0.6070 0.082 Uiso 1 1 calc R . . . .
C18 C 0.8873(2) 0.6342(4) 0.4536(3) 0.0564(15) Uani 1 1 d . . . . .
H18A H 0.8833 0.5664 0.4221 0.068 Uiso 1 1 calc R . . . .
H18B H 0.8808 0.6946 0.4141 0.068 Uiso 1 1 calc R . . . .
C19 C 0.9728(2) 0.7305(4) 0.5376(4) 0.0623(16) Uani 1 1 d . . . . .
H19 H 0.9652 0.8006 0.5150 0.075 Uiso 1 1 calc R . . . .
C20 C 1.0176(2) 0.6989(4) 0.6006(4) 0.0666(17) Uani 1 1 d . . . . .
H20 H 1.0467 0.7424 0.6291 0.080 Uiso 1 1 calc R . . . .
C21 C 1.0109(2) 0.5864(4) 0.6139(4) 0.0515(14) Uani 1 1 d . . . . .
C22 C 1.0465(2) 0.5088(5) 0.6746(4) 0.0570(15) Uani 1 1 d . . . . .
C23 C 1.0955(3) 0.5422(6) 0.7256(5) 0.109(3) Uani 1 1 d . . . . .
H23 H 1.1070 0.6134 0.7224 0.131 Uiso 1 1 calc R . . . .
C24 C 1.1283(3) 0.4670(7) 0.7830(5) 0.130(3) Uani 1 1 d . . . . .
H24 H 1.1614 0.4884 0.8198 0.156 Uiso 1 1 calc R . . . .
C25 C 1.1113(3) 0.3634(7) 0.7844(4) 0.091(2) Uani 1 1 d . . . . .
H25 H 1.1325 0.3118 0.8215 0.109 Uiso 1 1 calc R . . . .
C26 C 1.0621(3) 0.3360(6) 0.7299(5) 0.084(2) Uani 1 1 d . . . . .
H26 H 1.0501 0.2648 0.7316 0.100 Uiso 1 1 calc R . . . .
Cl1 Cl 0.88223(7) 0.03892(13) 0.81471(11) 0.0650(4) Uani 1 1 d . . . . .
N1 N 0.76336(16) 0.5783(3) 0.5021(3) 0.0491(11) Uani 1 1 d . . . . .
N2 N 0.85734(16) 0.7018(3) 0.5623(3) 0.0467(11) Uani 1 1 d . . . . .
N3 N 0.79003(17) 0.3853(4) 0.4129(3) 0.0522(11) Uani 1 1 d . . . . .
N4 N 0.83754(16) 0.3430(3) 0.4613(3) 0.0549(12) Uani 1 1 d . . . . .
N5 N 0.92118(18) 0.2033(3) 0.5479(3) 0.0583(12) Uani 1 1 d . . . . .
N6 N 0.94101(16) 0.6416(3) 0.5136(3) 0.0487(11) Uani 1 1 d . . . . .
N7 N 0.96414(16) 0.5530(3) 0.5602(3) 0.0495(11) Uani 1 1 d . . . . .
N8 N 1.02992(18) 0.4063(4) 0.6738(3) 0.0706(14) Uani 1 1 d . . . . .
O1 O 0.89822(19) 0.1182(4) 0.8786(3) 0.1211(18) Uani 1 1 d . . . . .
O2 O 0.9202(10) 0.056(2) 0.7741(15) 0.159(11) Uani 0.43(2) 1 d . . P A 1
O3 O 0.8949(10) -0.0645(15) 0.8566(11) 0.124(8) Uani 0.43(2) 1 d . U P A 1
O4 O 0.8338(6) 0.0449(14) 0.7595(14) 0.104(8) Uani 0.43(2) 1 d . U P A 1
O5 O 0.8323(6) -0.0025(12) 0.8186(13) 0.134(6) Uani 0.57(2) 1 d . U P A 2
O6 O 0.8685(10) 0.0866(11) 0.7367(8) 0.152(8) Uani 0.57(2) 1 d . . P A 2
O7 O 0.9133(5) -0.0481(13) 0.8163(12) 0.125(7) Uani 0.57(2) 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 N4 2.597(4) . ?
Ag1 N5 2.224(4) . ?
Ag1 N7 2.196(4) . ?
Ag1 N8 2.699(5) . ?
C1 C2 1.403(7) . ?
C1 C6 1.408(6) . ?
C1 N1 1.378(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.371(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.364(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.424(6) . ?
C6 N2 1.367(6) . ?
C7 C8 1.425(7) . ?
C7 C9 1.516(6) . ?
C7 N1 1.330(6) . ?
C8 C18 1.518(6) . ?
C8 N2 1.316(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 N3 1.451(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.368(7) . ?
C10 N3 1.349(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.397(7) . ?
C12 C13 1.456(7) . ?
C12 N4 1.339(6) . ?
C13 C14 1.390(7) . ?
C13 N5 1.355(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.367(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.379(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.379(7) . ?
C17 H17 0.9300 . ?
C17 N5 1.342(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 N6 1.454(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.359(7) . ?
C19 N6 1.353(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.412(7) . ?
C21 C22 1.478(7) . ?
C21 N7 1.335(6) . ?
C22 C23 1.366(7) . ?
C22 N8 1.326(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.402(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.348(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.368(8) . ?
C26 H26 0.9300 . ?
C26 N8 1.346(7) . ?
Cl1 O1 1.403(4) . ?
Cl1 O2 1.442(14) . ?
Cl1 O3 1.429(17) . ?
Cl1 O4 1.316(11) . ?
Cl1 O5 1.466(10) . ?
Cl1 O6 1.372(12) . ?
Cl1 O7 1.349(12) . ?
N3 N4 1.359(5) . ?
N6 N7 1.354(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4 Ag1 N8 162.94(14) . . ?
N5 Ag1 N4 70.49(15) . . ?
N5 Ag1 N8 102.85(17) . . ?
N7 Ag1 N4 118.74(15) . . ?
N7 Ag1 N5 170.71(17) . . ?
N7 Ag1 N8 68.00(16) . . ?
C2 C1 C6 120.0(5) . . ?
N1 C1 C2 119.4(5) . . ?
N1 C1 C6 120.5(5) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.7(5) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(5) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(5) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.5(5) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 119.0(5) . . ?
N2 C6 C1 121.3(5) . . ?
N2 C6 C5 119.7(5) . . ?
C8 C7 C9 124.6(5) . . ?
N1 C7 C8 121.2(5) . . ?
N1 C7 C9 114.2(5) . . ?
C7 C8 C18 121.3(5) . . ?
N2 C8 C7 122.3(5) . . ?
N2 C8 C18 116.4(5) . . ?
C7 C9 H9A 109.3 . . ?
C7 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
N3 C9 C7 111.7(4) . . ?
N3 C9 H9A 109.3 . . ?
N3 C9 H9B 109.3 . . ?
C11 C10 H10 126.6 . . ?
N3 C10 H10 126.6 . . ?
N3 C10 C11 106.8(5) . . ?
C10 C11 H11 126.8 . . ?
C10 C11 C12 106.4(5) . . ?
C12 C11 H11 126.8 . . ?
C11 C12 C13 128.6(5) . . ?
N4 C12 C11 109.7(5) . . ?
N4 C12 C13 121.7(5) . . ?
C14 C13 C12 121.7(5) . . ?
N5 C13 C12 117.9(5) . . ?
N5 C13 C14 120.4(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(6) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.1(6) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 121.6 . . ?
C17 C16 C15 116.9(6) . . ?
C17 C16 H16 121.6 . . ?
C16 C17 H17 117.8 . . ?
N5 C17 C16 124.4(5) . . ?
N5 C17 H17 117.8 . . ?
C8 C18 H18A 109.1 . . ?
C8 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
N6 C18 C8 112.3(4) . . ?
N6 C18 H18A 109.1 . . ?
N6 C18 H18B 109.1 . . ?
C20 C19 H19 126.1 . . ?
N6 C19 H19 126.1 . . ?
N6 C19 C20 107.8(5) . . ?
C19 C20 H20 127.1 . . ?
C19 C20 C21 105.7(5) . . ?
C21 C20 H20 127.1 . . ?
C20 C21 C22 130.2(5) . . ?
N7 C21 C20 109.4(5) . . ?
N7 C21 C22 120.5(5) . . ?
C23 C22 C21 119.9(6) . . ?
N8 C22 C21 117.6(5) . . ?
N8 C22 C23 122.5(6) . . ?
C22 C23 H23 120.7 . . ?
C22 C23 C24 118.6(7) . . ?
C24 C23 H23 120.7 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.4(7) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 120.9 . . ?
C24 C25 C26 118.2(7) . . ?
C26 C25 H25 120.9 . . ?
C25 C26 H26 118.2 . . ?
N8 C26 C25 123.7(6) . . ?
N8 C26 H26 118.2 . . ?
O1 Cl1 O2 101.3(8) . . ?
O1 Cl1 O3 105.6(8) . . ?
O1 Cl1 O5 103.8(5) . . ?
O3 Cl1 O2 106.1(12) . . ?
O4 Cl1 O1 118.0(7) . . ?
O4 Cl1 O2 110.4(12) . . ?
O4 Cl1 O3 114.0(11) . . ?
O6 Cl1 O1 111.1(7) . . ?
O6 Cl1 O5 104.6(9) . . ?
O7 Cl1 O1 120.5(6) . . ?
O7 Cl1 O5 107.9(9) . . ?
O7 Cl1 O6 107.8(10) . . ?
C7 N1 C1 117.3(4) . . ?
C8 N2 C6 117.3(4) . . ?
C10 N3 C9 127.5(5) . . ?
C10 N3 N4 111.3(5) . . ?
N4 N3 C9 121.2(4) . . ?
C12 N4 Ag1 107.6(3) . . ?
C12 N4 N3 105.8(4) . . ?
N3 N4 Ag1 146.5(3) . . ?
C13 N5 Ag1 121.0(4) . . ?
C17 N5 Ag1 120.3(4) . . ?
C17 N5 C13 118.0(5) . . ?
C19 N6 C18 129.2(5) . . ?
N7 N6 C18 120.1(4) . . ?
N7 N6 C19 110.5(4) . . ?
C21 N7 Ag1 124.5(4) . . ?
C21 N7 N6 106.6(4) . . ?
N6 N7 Ag1 128.6(3) . . ?
C22 N8 Ag1 109.1(4) . . ?
C22 N8 C26 117.5(5) . . ?
C26 N8 Ag1 133.3(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 0.9(8) . . . . ?
C1 C6 N2 C8 -0.5(7) . . . . ?
C2 C1 C6 C5 0.0(7) . . . . ?
C2 C1 C6 N2 179.5(5) . . . . ?
C2 C1 N1 C7 -179.2(5) . . . . ?
C2 C3 C4 C5 0.2(8) . . . . ?
C3 C4 C5 C6 -1.2(8) . . . . ?
C4 C5 C6 C1 1.1(7) . . . . ?
C4 C5 C6 N2 -178.4(5) . . . . ?
C5 C6 N2 C8 179.1(4) . . . . ?
C6 C1 C2 C3 -1.0(8) . . . . ?
C6 C1 N1 C7 0.2(7) . . . . ?
C7 C8 C18 N6 -144.4(4) . . . . ?
C7 C8 N2 C6 0.5(7) . . . . ?
C7 C9 N3 C10 120.6(5) . . . . ?
C7 C9 N3 N4 -61.1(6) . . . . ?
C8 C7 C9 N3 106.2(5) . . . . ?
C8 C7 N1 C1 -0.1(7) . . . . ?
C8 C18 N6 C19 -96.9(6) . . . . ?
C8 C18 N6 N7 76.7(6) . . . . ?
C9 C7 C8 C18 0.3(7) . . . . ?
C9 C7 C8 N2 179.6(4) . . . . ?
C9 C7 N1 C1 -179.9(4) . . . . ?
C9 N3 N4 Ag1 4.1(8) . . . . ?
C9 N3 N4 C12 -178.9(4) . . . . ?
C10 C11 C12 C13 179.9(5) . . . . ?
C10 C11 C12 N4 -0.9(6) . . . . ?
C10 N3 N4 Ag1 -177.4(4) . . . . ?
C10 N3 N4 C12 -0.4(6) . . . . ?
C11 C10 N3 C9 178.3(5) . . . . ?
C11 C10 N3 N4 -0.1(6) . . . . ?
C11 C12 C13 C14 -7.3(8) . . . . ?
C11 C12 C13 N5 172.3(5) . . . . ?
C11 C12 N4 Ag1 179.0(3) . . . . ?
C11 C12 N4 N3 0.8(6) . . . . ?
C12 C13 C14 C15 177.5(5) . . . . ?
C12 C13 N5 Ag1 13.4(6) . . . . ?
C12 C13 N5 C17 -176.5(5) . . . . ?
C13 C12 N4 Ag1 -1.7(6) . . . . ?
C13 C12 N4 N3 -180.0(4) . . . . ?
C13 C14 C15 C16 -0.1(9) . . . . ?
C14 C13 N5 Ag1 -167.0(4) . . . . ?
C14 C13 N5 C17 3.1(8) . . . . ?
C14 C15 C16 C17 1.0(9) . . . . ?
C15 C16 C17 N5 0.1(9) . . . . ?
C16 C17 N5 Ag1 168.0(5) . . . . ?
C16 C17 N5 C13 -2.2(9) . . . . ?
C18 C8 N2 C6 179.8(4) . . . . ?
C18 N6 N7 Ag1 10.2(6) . . . . ?
C18 N6 N7 C21 -174.8(4) . . . . ?
C19 C20 C21 C22 -179.6(5) . . . . ?
C19 C20 C21 N7 0.6(6) . . . . ?
C19 N6 N7 Ag1 -175.1(3) . . . . ?
C19 N6 N7 C21 -0.1(5) . . . . ?
C20 C19 N6 C18 174.5(5) . . . . ?
C20 C19 N6 N7 0.5(6) . . . . ?
C20 C21 C22 C23 -3.8(9) . . . . ?
C20 C21 C22 N8 179.6(6) . . . . ?
C20 C21 N7 Ag1 174.9(3) . . . . ?
C20 C21 N7 N6 -0.3(6) . . . . ?
C21 C22 C23 C24 179.5(6) . . . . ?
C21 C22 N8 Ag1 4.3(6) . . . . ?
C21 C22 N8 C26 -179.2(5) . . . . ?
C22 C21 N7 Ag1 -4.9(7) . . . . ?
C22 C21 N7 N6 179.9(4) . . . . ?
C22 C23 C24 C25 2.1(13) . . . . ?
C23 C22 N8 Ag1 -172.3(5) . . . . ?
C23 C22 N8 C26 4.3(9) . . . . ?
C23 C24 C25 C26 -0.8(12) . . . . ?
C24 C25 C26 N8 1.2(11) . . . . ?
C25 C26 N8 Ag1 172.7(5) . . . . ?
C25 C26 N8 C22 -2.9(10) . . . . ?
N1 C1 C2 C3 178.4(5) . . . . ?
N1 C1 C6 C5 -179.4(4) . . . . ?
N1 C1 C6 N2 0.1(7) . . . . ?
N1 C7 C8 C18 -179.5(4) . . . . ?
N1 C7 C8 N2 -0.3(7) . . . . ?
N1 C7 C9 N3 -73.9(6) . . . . ?
N2 C8 C18 N6 36.3(6) . . . . ?
N3 C10 C11 C12 0.6(6) . . . . ?
N4 C12 C13 C14 173.6(5) . . . . ?
N4 C12 C13 N5 -6.8(7) . . . . ?
N5 C13 C14 C15 -2.0(8) . . . . ?
N6 C19 C20 C21 -0.6(6) . . . . ?
N7 C21 C22 C23 176.0(6) . . . . ?
N7 C21 C22 N8 -0.7(8) . . . . ?
N8 C22 C23 C24 -4.0(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_p-xylene@M
_audit_block_doi                 10.5517/ccdc.csd.cc21f5ym
_database_code_depnum_ccdc_archive 'CCDC 1889510'
loop_
_audit_author_name
_audit_author_address
p-xyleneM
;Nankai University
China
;
_audit_update_record             
;
2019-05-15 deposited with the CCDC.	2019-08-13 downloaded from the CCDC.
;
_audit_creation_date             2019-05-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C26 H20 Ag N8), 2(Cl O4), 2(C8 H10), C4'
_chemical_formula_sum            'C72 H60 Ag2 Cl2 N16 O8'
_chemical_formula_weight         1564.00
_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'
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           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                   14.20450(10)
_cell_length_b                   23.0696(2)
_cell_length_c                   20.6652(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.9420(10)
_cell_angle_gamma                90
_cell_volume                     6706.87(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20371
_cell_measurement_temperature    169(6)
_cell_measurement_theta_max      73.1650
_cell_measurement_theta_min      3.6990
_shelx_estimated_absorpt_T_max   0.841
_shelx_estimated_absorpt_T_min   0.754
_exptl_absorpt_coefficient_mu    5.999
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84191
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3184
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            40500
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.402
_diffrn_reflns_theta_min         3.680
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     63.00  89.00   0.50    0.50    --    0.00  57.00-120.00   52
  2  ω    -29.00  85.00   0.50    0.50    --    0.00  57.00 -60.00  228
  3  ω     34.00  82.00   0.50    0.50    --    0.00  77.00-180.00   96
  4  ω    -22.00   4.00   0.50    0.50    --    0.00  77.00-180.00   52
  5  ω    -23.00   3.00   0.50    0.50    --    0.00  57.00-120.00   52
  6  ω     92.00 118.00   0.50    0.95    --   98.20 -82.00-120.00   52
  7  ω      9.00  45.00   0.50    0.95    --   98.20 -82.00-120.00   72
  8  ω      9.00 137.00   0.50    0.95    --   98.20 -82.00  90.00  256
  9  ω     40.00  70.00   0.50    0.95    --   98.20 -82.00  30.00   60
 10  ω     68.00 132.00   0.50    0.95    --   98.20  61.00 -90.00  128
 11  ω     82.00 136.00   0.50    0.95    --   98.20 -82.00  30.00  108
 12  ω    163.00 188.00   0.50    0.95    --   98.20  30.00-150.00   50
 13  ω     61.00 102.00   0.50    0.95    --   98.20 -82.00-180.00   82
 14  ω     83.00 188.00   0.50    0.95    --   98.20  61.00 120.00  210
 15  ω     68.00 177.00   0.50    0.95    --   98.20  61.00-180.00  218
 16  ω     50.00 112.00   0.50    0.95    --   98.20 -61.00 150.00  124
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0300180000
_diffrn_orient_matrix_UB_12      0.0640182000
_diffrn_orient_matrix_UB_13      0.0082660000
_diffrn_orient_matrix_UB_21      0.1020038000
_diffrn_orient_matrix_UB_22      -0.0189307000
_diffrn_orient_matrix_UB_23      0.0266114000
_diffrn_orient_matrix_UB_31      0.0261197000
_diffrn_orient_matrix_UB_32      0.0003949000
_diffrn_orient_matrix_UB_33      -0.0699523000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11713
_reflns_number_total             13112
_reflns_odcompleteness_completeness 99.33
_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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.397
_refine_diff_density_min         -0.843
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     936
_refine_ls_number_reflns         13112
_refine_ls_number_restraints     155
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0534
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0703P)²+12.8583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1474
_refine_ls_wR_factor_ref         0.1507
_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. Restrained distances
 C4-C6A
 2.2 with sigma of 0.02
 C3-C7A
 2.3 with sigma of 0.02
 C6-C4
 2.3 with sigma of 0.02
 C4A-C5
 1.2 with sigma of 0.02
 C11-C9
 2.4 with sigma of 0.02
 C14_$1-C13_$1
 1.25 with sigma of 0.02
 C11-C15_$1
 1.25 with sigma of 0.02
 C15_$1-C14_$1
 1.25 with sigma of 0.02
 C15_$1-C12
 2.75 with sigma of 0.02
 C14-C12
 2.3 with sigma of 0.02
 C15-C13
 2.3 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6A \\sim C7A: within 1.7A with sigma of
0.001 and sigma for terminal atoms of 0.002
C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15: within 1.7A
with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C8) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C4) \\sim Ueq, Uanis(C3) \\sim Ueq: with sigma of 0.0001 and sigma for
terminal atoms of 0.0002
Uanis(C15) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C11)
\\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C12) \\sim Ueq:
with sigma of 0.0001 and sigma for terminal atoms of 0.0002
4. Others
 Fixed Sof: C3(0.5) H3(0.5) C3A(0.5) H3A(0.5) C4A(0.5) H4A(0.5) C6(0.5)
 H6(0.5) C7(0.5) H7(0.5) C4(0.5) H4(0.5) C6A(0.5) H6A(0.5) C7A(0.5) H7A(0.5)
 C9(0.5) C10(0.5) C11(0.5) C12(0.5) C14(0.5) C15(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C41(H41A,H41B), C58(H58A,H58B), C67(H67A,H67B)
5.b Aromatic/amide H refined with riding coordinates:
 C24(H24), C25(H25), C26(H26), C27(H27), C30(H30), C31(H31), C35(H35),
 C36(H36), C37(H37), C38(H38), C42(H42), C43(H43), C46(H46), C47(H47), C48(H48),
  C49(H49), C50(H50), C51(H51), C52(H52), C53(H53), C56(H56), C57(H57),
 C61(H61), C62(H62), C63(H63), C64(H64), C68(H68), C69(H69), C72(H72), C73(H73),
  C74(H74), C75(H75), C3(H3), C3A(H3A), C4A(H4A), C6(H6), C7(H7), C4(H4),
 C6A(H6A), C7A(H7A), C18(H18), C19(H19), C20(H20), C21(H21)
5.c Fitted hexagon refined as free rotating group:
 C3A(C4A,C5,C6,C7,C2)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C23(H23A,H23B,H23C)
;
_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
Ag1 Ag 0.52530(2) 0.96415(2) 0.34109(2) 0.05228(11) Uani 1 1 d . . . . .
N9 N 0.6038(2) 1.04633(13) 0.33597(15) 0.0395(7) Uani 1 1 d . . . . .
N10 N 0.7156(2) 0.94362(12) 0.34171(14) 0.0346(6) Uani 1 1 d . . . . .
N11 N 0.7913(2) 0.90728(13) 0.35096(14) 0.0365(6) Uani 1 1 d . . . . .
N12 N 0.77373(19) 0.83268(12) 0.47202(13) 0.0319(6) Uani 1 1 d . . . . .
N13 N 0.4723(2) 0.82618(12) 0.33267(14) 0.0350(6) Uani 1 1 d . . . . .
N14 N 0.57954(19) 0.80263(12) 0.45208(14) 0.0335(6) Uani 1 1 d . . . . .
N15 N 0.44378(19) 0.88203(12) 0.33043(13) 0.0332(6) Uani 1 1 d . . . . .
N16 N 0.3443(2) 0.98420(13) 0.33292(14) 0.0356(6) Uani 1 1 d . . . . .
C24 C 0.2949(3) 1.03356(15) 0.33235(19) 0.0406(8) Uani 1 1 d . . . . .
H24 H 0.3286 1.0682 0.3373 0.049 Uiso 1 1 calc R . . . .
C25 C 0.1968(3) 1.03621(17) 0.32486(19) 0.0433(8) Uani 1 1 d . . . . .
H25 H 0.1656 1.0716 0.3255 0.052 Uiso 1 1 calc R . . . .
C26 C 0.1465(3) 0.98525(18) 0.31638(19) 0.0445(8) Uani 1 1 d . . . . .
H26 H 0.0804 0.9857 0.3098 0.053 Uiso 1 1 calc R . . . .
C27 C 0.1954(3) 0.93329(17) 0.31778(18) 0.0410(8) Uani 1 1 d . . . . .
H27 H 0.1629 0.8982 0.3131 0.049 Uiso 1 1 calc R . . . .
C28 C 0.2947(2) 0.93458(15) 0.32634(16) 0.0325(7) Uani 1 1 d . . . . .
C29 C 0.3494(2) 0.88054(15) 0.32865(16) 0.0334(7) Uani 1 1 d . . . . .
C30 C 0.3176(3) 0.82265(16) 0.32970(19) 0.0422(8) Uani 1 1 d . . . . .
H30 H 0.2555 0.8096 0.3286 0.051 Uiso 1 1 calc R . . . .
C31 C 0.3987(3) 0.78975(16) 0.33267(18) 0.0413(8) Uani 1 1 d . . . . .
H31 H 0.4019 0.7495 0.3344 0.050 Uiso 1 1 calc R . . . .
C32 C 0.5726(2) 0.81315(16) 0.33483(17) 0.0372(7) Uani 1 1 d . . . . .
H32A H 0.6006 0.8405 0.3074 0.045 Uiso 1 1 calc R . . . .
H32B H 0.5794 0.7746 0.3172 0.045 Uiso 1 1 calc R . . . .
C33 C 0.6259(2) 0.81595(13) 0.40346(16) 0.0307(6) Uani 1 1 d . . . . .
C34 C 0.6294(2) 0.80407(14) 0.51322(16) 0.0323(7) Uani 1 1 d . . . . .
C35 C 0.5836(3) 0.79012(16) 0.56783(18) 0.0404(8) Uani 1 1 d . . . . .
H35 H 0.5198 0.7796 0.5619 0.048 Uiso 1 1 calc R . . . .
C36 C 0.6334(3) 0.79222(16) 0.62949(18) 0.0428(8) Uani 1 1 d . . . . .
H36 H 0.6030 0.7832 0.6653 0.051 Uiso 1 1 calc R . . . .
C37 C 0.7297(3) 0.80778(16) 0.63924(17) 0.0413(8) Uani 1 1 d . . . . .
H37 H 0.7622 0.8092 0.6815 0.050 Uiso 1 1 calc R . . . .
C38 C 0.7762(3) 0.82085(15) 0.58764(17) 0.0370(7) Uani 1 1 d . . . . .
H38 H 0.8403 0.8307 0.5947 0.044 Uiso 1 1 calc R . . . .
C39 C 0.7268(2) 0.81939(13) 0.52354(16) 0.0307(6) Uani 1 1 d . . . . .
C40 C 0.7247(2) 0.83093(13) 0.41361(16) 0.0307(6) Uani 1 1 d . . . . .
C41 C 0.7795(2) 0.84527(15) 0.35761(17) 0.0363(7) Uani 1 1 d . . . . .
H41A H 0.8414 0.8269 0.3652 0.044 Uiso 1 1 calc R . . . .
H41B H 0.7457 0.8298 0.3173 0.044 Uiso 1 1 calc R . . . .
C42 C 0.8743(3) 0.93573(18) 0.3523(2) 0.0504(10) Uani 1 1 d . . . . .
H42 H 0.9347 0.9193 0.3581 0.061 Uiso 1 1 calc R . . . .
C43 C 0.8536(3) 0.99303(19) 0.3437(2) 0.0543(11) Uani 1 1 d . . . . .
H43 H 0.8963 1.0234 0.3423 0.065 Uiso 1 1 calc R . . . .
C44 C 0.7540(3) 0.99644(15) 0.33717(17) 0.0382(8) Uani 1 1 d . . . . .
C45 C 0.6970(3) 1.04917(15) 0.32971(18) 0.0377(7) Uani 1 1 d . . . . .
C46 C 0.7396(3) 1.10211(18) 0.3188(3) 0.0650(14) Uani 1 1 d . . . . .
H46 H 0.8036 1.1035 0.3137 0.078 Uiso 1 1 calc R . . . .
C47 C 0.6874(4) 1.15195(19) 0.3157(3) 0.0661(14) Uani 1 1 d . . . . .
H47 H 0.7154 1.1872 0.3079 0.079 Uiso 1 1 calc R . . . .
C48 C 0.5932(3) 1.14964(18) 0.3241(2) 0.0576(11) Uani 1 1 d . . . . .
H48 H 0.5565 1.1831 0.3232 0.069 Uiso 1 1 calc R . . . .
C49 C 0.5552(3) 1.09578(18) 0.3340(2) 0.0535(10) Uani 1 1 d . . . . .
H49 H 0.4914 1.0939 0.3396 0.064 Uiso 1 1 calc R . . . .
Ag2 Ag 0.96058(2) 0.53365(2) 0.66259(2) 0.05061(11) Uani 1 1 d . . . . .
N1 N 0.8853(2) 0.45143(12) 0.67215(15) 0.0361(6) Uani 1 1 d . . . . .
N2 N 0.7703(2) 0.55188(12) 0.65488(14) 0.0343(6) Uani 1 1 d . . . . .
N3 N 0.6946(2) 0.58814(13) 0.64572(14) 0.0353(6) Uani 1 1 d . . . . .
N4 N 0.7211(2) 0.66603(12) 0.52787(14) 0.0341(6) Uani 1 1 d . . . . .
N5 N 0.9149(2) 0.69518(12) 0.55582(14) 0.0350(6) Uani 1 1 d . . . . .
N6 N 1.0148(2) 0.66959(12) 0.67518(13) 0.0340(6) Uani 1 1 d . . . . .
N7 N 1.04344(19) 0.61377(11) 0.67462(13) 0.0304(6) Uani 1 1 d . . . . .
N8 N 1.1422(2) 0.51269(12) 0.66152(14) 0.0356(6) Uani 1 1 d . . . . .
C50 C 0.9374(3) 0.40320(16) 0.6803(2) 0.0474(9) Uani 1 1 d . . . . .
H50 H 1.0030 0.4065 0.6824 0.057 Uiso 1 1 calc R . . . .
C51 C 0.8992(3) 0.34846(17) 0.6859(2) 0.0520(10) Uani 1 1 d . . . . .
H51 H 0.9380 0.3159 0.6914 0.062 Uiso 1 1 calc R . . . .
C52 C 0.8024(3) 0.34384(17) 0.6830(2) 0.0476(9) Uani 1 1 d . . . . .
H52 H 0.7745 0.3078 0.6871 0.057 Uiso 1 1 calc R . . . .
C53 C 0.7469(3) 0.39267(16) 0.67397(19) 0.0421(8) Uani 1 1 d . . . . .
H53 H 0.6812 0.3899 0.6715 0.051 Uiso 1 1 calc R . . . .
C54 C 0.7902(2) 0.44668(15) 0.66856(15) 0.0317(7) Uani 1 1 d . . . . .
C55 C 0.7318(2) 0.49900(15) 0.65860(15) 0.0318(7) Uani 1 1 d . . . . .
C56 C 0.6321(3) 0.50223(17) 0.65159(18) 0.0402(8) Uani 1 1 d . . . . .
H56 H 0.5893 0.4718 0.6521 0.048 Uiso 1 1 calc R . . . .
C57 C 0.6117(3) 0.55988(17) 0.64378(17) 0.0394(8) Uani 1 1 d . . . . .
H57 H 0.5515 0.5765 0.6381 0.047 Uiso 1 1 calc R . . . .
C58 C 0.7070(3) 0.65051(15) 0.64101(17) 0.0369(7) Uani 1 1 d . . . . .
H58A H 0.7381 0.6652 0.6825 0.044 Uiso 1 1 calc R . . . .
H58B H 0.6452 0.6689 0.6319 0.044 Uiso 1 1 calc R . . . .
C59 C 0.7660(2) 0.66607(14) 0.58776(16) 0.0323(7) Uani 1 1 d . . . . .
C60 C 0.7723(2) 0.68032(13) 0.47899(16) 0.0325(7) Uani 1 1 d . . . . .
C61 C 0.7276(3) 0.68069(15) 0.41337(18) 0.0397(8) Uani 1 1 d . . . . .
H61 H 0.6634 0.6718 0.4036 0.048 Uiso 1 1 calc R . . . .
C62 C 0.7795(3) 0.69420(16) 0.36466(18) 0.0446(9) Uani 1 1 d . . . . .
H62 H 0.7503 0.6941 0.3215 0.054 Uiso 1 1 calc R . . . .
C63 C 0.8762(3) 0.70829(18) 0.37842(19) 0.0471(9) Uani 1 1 d . . . . .
H63 H 0.9102 0.7172 0.3443 0.057 Uiso 1 1 calc R . . . .
C64 C 0.9212(3) 0.70905(17) 0.44140(19) 0.0441(9) Uani 1 1 d . . . . .
H64 H 0.9853 0.7187 0.4501 0.053 Uiso 1 1 calc R . . . .
C65 C 0.8695(2) 0.69505(15) 0.49315(17) 0.0349(7) Uani 1 1 d . . . . .
C66 C 0.8643(2) 0.68081(14) 0.60203(16) 0.0330(7) Uani 1 1 d . . . . .
C67 C 0.9143(2) 0.68207(16) 0.67140(17) 0.0378(8) Uani 1 1 d . . . . .
H67A H 0.9062 0.7200 0.6900 0.045 Uiso 1 1 calc R . . . .
H67B H 0.8852 0.6538 0.6972 0.045 Uiso 1 1 calc R . . . .
C68 C 1.0881(3) 0.70606(16) 0.67464(18) 0.0415(8) Uani 1 1 d . . . . .
H68 H 1.0848 0.7463 0.6743 0.050 Uiso 1 1 calc R . . . .
C69 C 1.1687(3) 0.67357(15) 0.67476(17) 0.0388(8) Uani 1 1 d . . . . .
H69 H 1.2305 0.6868 0.6750 0.047 Uiso 1 1 calc R . . . .
C70 C 1.1375(2) 0.61567(14) 0.67447(15) 0.0305(6) Uani 1 1 d . . . . .
C71 C 1.1924(2) 0.56209(14) 0.67252(15) 0.0299(6) Uani 1 1 d . . . . .
C72 C 1.2913(2) 0.56325(16) 0.68085(18) 0.0390(8) Uani 1 1 d . . . . .
H72 H 1.3240 0.5981 0.6883 0.047 Uiso 1 1 calc R . . . .
C73 C 1.3402(3) 0.51191(19) 0.6779(2) 0.0477(9) Uani 1 1 d . . . . .
H73 H 1.4063 0.5115 0.6844 0.057 Uiso 1 1 calc R . . . .
C74 C 1.2897(3) 0.46122(17) 0.6652(2) 0.0480(9) Uani 1 1 d . . . . .
H74 H 1.3209 0.4261 0.6620 0.058 Uiso 1 1 calc R . . . .
C75 C 1.1918(3) 0.46376(16) 0.6573(2) 0.0434(9) Uani 1 1 d . . . . .
H75 H 1.1582 0.4294 0.6485 0.052 Uiso 1 1 calc R . . . .
Cl1 Cl 0.98597(6) 0.81406(4) 0.23270(4) 0.04006(19) Uani 1 1 d . . . . .
O5 O 0.9780(2) 0.81270(17) 0.16254(14) 0.0664(9) Uani 1 1 d . . . . .
O6 O 1.0708(3) 0.78454(15) 0.25875(16) 0.0735(10) Uani 1 1 d . . . . .
O7 O 0.9920(2) 0.87273(15) 0.25290(16) 0.0683(10) Uani 1 1 d . . . . .
O8 O 0.9036(3) 0.78707(18) 0.25009(19) 0.0858(12) Uani 1 1 d . . . . .
Cl2 Cl 1.00801(5) 0.85466(4) 0.75656(4) 0.03474(18) Uani 1 1 d . . . . .
O1 O 1.0961(2) 0.82504(13) 0.75668(17) 0.0620(8) Uani 1 1 d . . . . .
O2 O 0.9956(3) 0.8595(3) 0.8238(2) 0.1204(19) Uani 1 1 d . . . . .
O3 O 1.0117(3) 0.91039(18) 0.7326(3) 0.1062(17) Uani 1 1 d . . . . .
O4 O 0.9310(3) 0.82238(16) 0.7263(2) 0.0904(13) Uani 1 1 d . . . . .
C1 C 1.2808(8) 0.7517(5) 0.4924(4) 0.174(5) Uani 1 1 d . . . . .
H1A H 1.2812 0.7199 0.5225 0.261 Uiso 1 1 calc GR . . . .
H1B H 1.3399 0.7724 0.5010 0.261 Uiso 1 1 calc GR . . . .
H1C H 1.2730 0.7371 0.4485 0.261 Uiso 1 1 calc GR . . . .
C3 C 1.2121(10) 0.8597(5) 0.4908(6) 0.0904(10) Uani 0.5 1 d D U P A 2
H3 H 1.2700 0.8746 0.4824 0.108 Uiso 0.5 1 calc R . P A 2
C3A C 1.1493(7) 0.8196(4) 0.4472(3) 0.178(9) Uiso 0.5 1 d . . P A 1
H3A H 1.1626 0.8117 0.4053 0.214 Uiso 0.5 1 calc R . P A 1
C4A C 1.0786(7) 0.8592(4) 0.4564(3) 0.188(10) Uiso 0.5 1 d DG . P A 1
H4A H 1.0446 0.8778 0.4206 0.226 Uiso 0.5 1 calc R . P A 1
C5 C 1.0588(4) 0.8711(3) 0.5191(3) 0.0891(10) Uani 1 1 d DG U . . .
C6 C 1.1096(7) 0.8433(4) 0.5725(3) 0.178(9) Uiso 0.5 1 d DG . P A 2
H6 H 1.0963 0.8512 0.6145 0.213 Uiso 0.5 1 calc R . P A 2
C7 C 1.1803(7) 0.8037(4) 0.5633(3) 0.168(9) Uiso 0.5 1 d G . P A 2
H7 H 1.2143 0.7851 0.5991 0.202 Uiso 0.5 1 calc R . P A 2
C2 C 1.2001(4) 0.7918(3) 0.5006(3) 0.0908(10) Uani 1 1 d G U . . .
C4 C 1.1348(9) 0.8969(5) 0.4948(6) 0.0897(10) Uani 0.5 1 d D U P A 2
H4 H 1.1347 0.9356 0.4823 0.108 Uiso 0.5 1 calc R . P A 2
C6A C 1.0624(10) 0.8210(5) 0.5437(6) 0.0886(10) Uani 0.5 1 d D U P A 1
H6A H 1.0149 0.8093 0.5676 0.106 Uiso 0.5 1 calc R . P A 1
C7A C 1.1312(9) 0.7853(6) 0.5362(6) 0.0890(10) Uani 0.5 1 d D U P A 1
H7A H 1.1315 0.7506 0.5592 0.107 Uiso 0.5 1 calc R . P A 1
C8 C 0.9834(5) 0.9155(3) 0.5304(4) 0.102(2) Uani 1 1 d . U . . .
H8A H 0.9264 0.9083 0.5008 0.153 Uiso 1 1 calc GR . . . .
H8B H 1.0064 0.9538 0.5231 0.153 Uiso 1 1 calc GR . . . .
H8C H 0.9700 0.9125 0.5746 0.153 Uiso 1 1 calc GR . . . .
C9 C 0.7632(9) 1.0078(6) 0.4994(7) 0.0918(14) Uani 0.5 1 d D U P . .
C10 C 0.6697(11) 1.0075(6) 0.5003(7) 0.0890(9) Uani 0.5 1 d . U P . .
C11 C 0.6009(9) 1.0046(6) 0.5000(7) 0.0894(9) Uani 0.5 1 d D U P . .
C12 C 0.6111(9) 0.9601(5) 0.4916(7) 0.0889(9) Uani 0.5 1 d D U P . .
C13 C 0.5234(5) 0.9620(3) 0.4936(3) 0.0897(8) Uani 1 1 d D U . . .
C14 C 0.4589(8) 0.9346(6) 0.4904(7) 0.0894(9) Uani 0.5 1 d D U P . .
C15 C 0.3752(8) 0.9355(5) 0.4918(7) 0.0900(10) Uani 0.5 1 d D U P . .
C16 C 1.1445(9) 0.5891(5) 0.4965(4) 0.181(5) Uani 1 1 d . . . . .
H16A H 1.1170 0.6202 0.4694 0.272 Uiso 1 1 calc GR . . . .
H16B H 1.1988 0.5741 0.4790 0.272 Uiso 1 1 calc GR . . . .
H16C H 1.1638 0.6031 0.5400 0.272 Uiso 1 1 calc GR . . . .
C17 C 1.0731(7) 0.5423(3) 0.4980(3) 0.099(2) Uani 1 1 d . . . . .
C18 C 0.9825(8) 0.5553(3) 0.5122(3) 0.111(3) Uani 1 1 d . . . . .
H18 H 0.9681 0.5937 0.5201 0.133 Uiso 1 1 calc R . . . .
C19 C 0.9146(6) 0.5150(4) 0.5152(3) 0.107(3) Uani 1 1 d . . . . .
H19 H 0.8565 0.5268 0.5268 0.129 Uiso 1 1 calc R . . . .
C20 C 0.5799(4) 0.4804(3) 0.4790(3) 0.0846(18) Uani 1 1 d . . . . .
H20 H 0.6349 0.4668 0.4644 0.101 Uiso 1 1 calc R . . . .
C21 C 0.5605(4) 0.5375(3) 0.4754(3) 0.0840(19) Uani 1 1 d . . . . .
H21 H 0.6025 0.5626 0.4587 0.101 Uiso 1 1 calc R . . . .
C22 C 0.4803(4) 0.5592(3) 0.4957(2) 0.0801(16) Uani 1 1 d . . . . .
C23 C 0.4585(5) 0.6234(4) 0.4916(3) 0.106(2) Uani 1 1 d . . . . .
H23A H 0.4219 0.6339 0.5255 0.159 Uiso 1 1 calc GR . . . .
H23B H 0.4230 0.6321 0.4498 0.159 Uiso 1 1 calc GR . . . .
H23C H 0.5169 0.6449 0.4969 0.159 Uiso 1 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 N9 2.209(3) . ?
Ag1 N10 2.743(3) . ?
Ag1 N15 2.215(3) . ?
Ag1 N16 2.595(3) . ?
N9 C45 1.351(5) . ?
N9 C49 1.331(5) . ?
N10 N11 1.356(4) . ?
N10 C44 1.343(5) . ?
N11 C41 1.449(4) . ?
N11 C42 1.346(5) . ?
N12 C39 1.367(4) . ?
N12 C40 1.308(4) . ?
N13 N15 1.350(4) . ?
N13 C31 1.342(5) . ?
N13 C32 1.450(4) . ?
N14 C33 1.312(4) . ?
N14 C34 1.361(4) . ?
N15 C29 1.336(4) . ?
N16 C24 1.337(5) . ?
N16 C28 1.341(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.382(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.384(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.397(5) . ?
C28 C29 1.466(5) . ?
C29 C30 1.411(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.373(5) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.514(5) . ?
C33 C40 1.433(5) . ?
C34 C35 1.416(5) . ?
C34 C39 1.415(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.370(5) . ?
C36 H36 0.9300 . ?
C36 C37 1.401(6) . ?
C37 H37 0.9300 . ?
C37 C38 1.364(5) . ?
C38 H38 0.9300 . ?
C38 C39 1.411(5) . ?
C40 C41 1.517(5) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42 0.9300 . ?
C42 C43 1.361(6) . ?
C43 H43 0.9300 . ?
C43 C44 1.405(5) . ?
C44 C45 1.457(5) . ?
C45 C46 1.395(5) . ?
C46 H46 0.9300 . ?
C46 C47 1.365(6) . ?
C47 H47 0.9300 . ?
C47 C48 1.374(6) . ?
C48 H48 0.9300 . ?
C48 C49 1.381(6) . ?
C49 H49 0.9300 . ?
Ag2 N1 2.200(3) . ?
Ag2 N2 2.718(3) . ?
Ag2 N7 2.187(3) . ?
Ag2 N8 2.628(3) . ?
N1 C50 1.334(5) . ?
N1 C54 1.348(4) . ?
N2 N3 1.355(4) . ?
N2 C55 1.344(4) . ?
N3 C57 1.341(5) . ?
N3 C58 1.455(4) . ?
N4 C59 1.312(4) . ?
N4 C60 1.364(4) . ?
N5 C65 1.365(4) . ?
N5 C66 1.315(4) . ?
N6 N7 1.351(4) . ?
N6 C67 1.448(4) . ?
N6 C68 1.340(5) . ?
N7 C70 1.337(4) . ?
N8 C71 1.347(4) . ?
N8 C75 1.340(5) . ?
C50 H50 0.9300 . ?
C50 C51 1.385(5) . ?
C51 H51 0.9300 . ?
C51 C52 1.373(6) . ?
C52 H52 0.9300 . ?
C52 C53 1.373(6) . ?
C53 H53 0.9300 . ?
C53 C54 1.401(5) . ?
C54 C55 1.463(5) . ?
C55 C56 1.406(5) . ?
C56 H56 0.9300 . ?
C56 C57 1.366(6) . ?
C57 H57 0.9300 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 C59 1.515(5) . ?
C59 C66 1.428(5) . ?
C60 C61 1.416(5) . ?
C60 C65 1.414(5) . ?
C61 H61 0.9300 . ?
C61 C62 1.364(6) . ?
C62 H62 0.9300 . ?
C62 C63 1.402(6) . ?
C63 H63 0.9300 . ?
C63 C64 1.368(6) . ?
C64 H64 0.9300 . ?
C64 C65 1.416(5) . ?
C66 C67 1.510(5) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C68 H68 0.9300 . ?
C68 C69 1.368(5) . ?
C69 H69 0.9300 . ?
C69 C70 1.407(5) . ?
C70 C71 1.465(4) . ?
C71 C72 1.393(5) . ?
C72 H72 0.9300 . ?
C72 C73 1.378(5) . ?
C73 H73 0.9300 . ?
C73 C74 1.378(6) . ?
C74 H74 0.9300 . ?
C74 C75 1.379(6) . ?
C75 H75 0.9300 . ?
Cl1 O5 1.439(3) . ?
Cl1 O6 1.424(3) . ?
Cl1 O7 1.416(3) . ?
Cl1 O8 1.415(3) . ?
Cl2 O1 1.425(3) . ?
Cl2 O2 1.428(4) . ?
Cl2 O3 1.381(4) . ?
Cl2 O4 1.397(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.502(11) . ?
C3 H3 0.9300 . ?
C3 C2 1.590(13) . ?
C3 C4 1.405(17) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.3900 . ?
C3A C2 1.3900 . ?
C4A H4A 0.9300 . ?
C4A C5 1.3900 . ?
C5 C6 1.3900 . ?
C5 C4 1.386(12) . ?
C5 C6A 1.259(13) . ?
C5 C8 1.524(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C2 1.3900 . ?
C2 C7A 1.312(13) . ?
C4 H4 0.9300 . ?
C6A H6A 0.9300 . ?
C6A C7A 1.305(17) . ?
C7A H7A 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.331(16) . ?
C10 C11 0.979(16) . ?
C10 C12 1.371(18) . ?
C10 C15 1.482(18) 3_676 ?
C11 C12 1.055(15) . ?
C11 C13 1.947(15) 3_676 ?
C11 C13 1.467(14) . ?
C11 C14 1.667(19) 3_676 ?
C11 C15 1.428(14) 3_676 ?
C12 C13 1.253(13) . ?
C13 C11 1.947(15) 3_676 ?
C13 C13 1.904(13) 3_676 ?
C13 C14 1.109(11) . ?
C14 C11 1.667(19) 3_676 ?
C14 C15 1.193(12) . ?
C15 C10 1.482(18) 3_676 ?
C15 C11 1.428(14) 3_676 ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C17 1.484(12) . ?
C17 C18 1.392(12) . ?
C17 C19 1.366(10) 3_766 ?
C18 H18 0.9300 . ?
C18 C19 1.347(12) . ?
C19 C17 1.366(10) 3_766 ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.347(9) . ?
C20 C22 1.401(8) 3_666 ?
C21 H21 0.9300 . ?
C21 C22 1.362(9) . ?
C22 C20 1.401(8) 3_666 ?
C22 C23 1.512(10) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
N9 Ag1 N10 69.21(10) . . ?
N9 Ag1 N15 171.63(11) . . ?
N9 Ag1 N16 110.22(10) . . ?
N15 Ag1 N10 110.74(9) . . ?
N15 Ag1 N16 69.29(10) . . ?
N16 Ag1 N10 176.55(9) . . ?
C45 N9 Ag1 123.7(2) . . ?
C49 N9 Ag1 118.3(3) . . ?
C49 N9 C45 117.8(3) . . ?
N11 N10 Ag1 150.4(2) . . ?
C44 N10 Ag1 104.6(2) . . ?
C44 N10 N11 104.4(3) . . ?
N10 N11 C41 121.6(3) . . ?
C42 N11 N10 112.1(3) . . ?
C42 N11 C41 126.3(3) . . ?
C40 N12 C39 117.2(3) . . ?
N15 N13 C32 119.2(3) . . ?
C31 N13 N15 111.5(3) . . ?
C31 N13 C32 129.2(3) . . ?
C33 N14 C34 117.0(3) . . ?
N13 N15 Ag1 131.5(2) . . ?
C29 N15 Ag1 122.2(2) . . ?
C29 N15 N13 105.8(3) . . ?
C24 N16 Ag1 131.8(2) . . ?
C24 N16 C28 117.3(3) . . ?
C28 N16 Ag1 110.9(2) . . ?
N16 C24 H24 118.0 . . ?
N16 C24 C25 124.0(3) . . ?
C25 C24 H24 118.0 . . ?
C24 C25 H25 120.8 . . ?
C26 C25 C24 118.4(3) . . ?
C26 C25 H25 120.8 . . ?
C25 C26 H26 120.4 . . ?
C25 C26 C27 119.1(3) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.7 . . ?
C26 C27 C28 118.7(3) . . ?
C28 C27 H27 120.7 . . ?
N16 C28 C27 122.6(3) . . ?
N16 C28 C29 117.0(3) . . ?
C27 C28 C29 120.5(3) . . ?
N15 C29 C28 120.3(3) . . ?
N15 C29 C30 110.2(3) . . ?
C30 C29 C28 129.5(3) . . ?
C29 C30 H30 127.6 . . ?
C31 C30 C29 104.8(3) . . ?
C31 C30 H30 127.6 . . ?
N13 C31 C30 107.6(3) . . ?
N13 C31 H31 126.2 . . ?
C30 C31 H31 126.2 . . ?
N13 C32 H32A 109.1 . . ?
N13 C32 H32B 109.1 . . ?
N13 C32 C33 112.4(3) . . ?
H32A C32 H32B 107.8 . . ?
C33 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
N14 C33 C32 118.0(3) . . ?
N14 C33 C40 122.0(3) . . ?
C40 C33 C32 120.0(3) . . ?
N14 C34 C35 119.8(3) . . ?
N14 C34 C39 121.3(3) . . ?
C39 C34 C35 119.0(3) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 C34 119.9(3) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 H36 119.6 . . ?
C35 C36 C37 120.7(3) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 119.6 . . ?
C38 C37 C36 120.9(3) . . ?
C38 C37 H37 119.6 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.8(3) . . ?
C39 C38 H38 120.1 . . ?
N12 C39 C34 120.7(3) . . ?
N12 C39 C38 119.5(3) . . ?
C38 C39 C34 119.8(3) . . ?
N12 C40 C33 121.9(3) . . ?
N12 C40 C41 115.7(3) . . ?
C33 C40 C41 122.4(3) . . ?
N11 C41 C40 111.5(3) . . ?
N11 C41 H41A 109.3 . . ?
N11 C41 H41B 109.3 . . ?
C40 C41 H41A 109.3 . . ?
C40 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
N11 C42 H42 126.3 . . ?
N11 C42 C43 107.3(3) . . ?
C43 C42 H42 126.3 . . ?
C42 C43 H43 127.4 . . ?
C42 C43 C44 105.3(4) . . ?
C44 C43 H43 127.4 . . ?
N10 C44 C43 110.8(3) . . ?
N10 C44 C45 122.7(3) . . ?
C43 C44 C45 126.4(3) . . ?
N9 C45 C44 119.1(3) . . ?
N9 C45 C46 120.7(4) . . ?
C46 C45 C44 120.1(3) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0(4) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.2 . . ?
C46 C47 C48 119.6(4) . . ?
C48 C47 H47 120.2 . . ?
C47 C48 H48 121.3 . . ?
C47 C48 C49 117.5(4) . . ?
C49 C48 H48 121.3 . . ?
N9 C49 C48 124.3(4) . . ?
N9 C49 H49 117.8 . . ?
C48 C49 H49 117.8 . . ?
N1 Ag2 N2 69.33(10) . . ?
N1 Ag2 N8 109.39(10) . . ?
N7 Ag2 N1 168.31(10) . . ?
N7 Ag2 N2 113.02(9) . . ?
N7 Ag2 N8 69.08(9) . . ?
N8 Ag2 N2 175.84(9) . . ?
C50 N1 Ag2 117.6(2) . . ?
C50 N1 C54 118.2(3) . . ?
C54 N1 Ag2 124.1(2) . . ?
N3 N2 Ag2 150.2(2) . . ?
C55 N2 Ag2 105.4(2) . . ?
C55 N2 N3 104.2(3) . . ?
N2 N3 C58 121.2(3) . . ?
C57 N3 N2 112.4(3) . . ?
C57 N3 C58 126.4(3) . . ?
C59 N4 C60 117.3(3) . . ?
C66 N5 C65 117.0(3) . . ?
N7 N6 C67 119.0(3) . . ?
C68 N6 N7 111.3(3) . . ?
C68 N6 C67 129.5(3) . . ?
N6 N7 Ag2 130.4(2) . . ?
C70 N7 Ag2 123.3(2) . . ?
C70 N7 N6 105.7(3) . . ?
C71 N8 Ag2 109.9(2) . . ?
C75 N8 Ag2 132.9(2) . . ?
C75 N8 C71 117.0(3) . . ?
N1 C50 H50 118.2 . . ?
N1 C50 C51 123.7(4) . . ?
C51 C50 H50 118.2 . . ?
C50 C51 H51 121.0 . . ?
C52 C51 C50 117.9(4) . . ?
C52 C51 H51 121.0 . . ?
C51 C52 H52 120.2 . . ?
C53 C52 C51 119.7(4) . . ?
C53 C52 H52 120.2 . . ?
C52 C53 H53 120.3 . . ?
C52 C53 C54 119.4(3) . . ?
C54 C53 H53 120.3 . . ?
N1 C54 C53 121.1(3) . . ?
N1 C54 C55 119.0(3) . . ?
C53 C54 C55 119.9(3) . . ?
N2 C55 C54 121.9(3) . . ?
N2 C55 C56 111.0(3) . . ?
C56 C55 C54 127.0(3) . . ?
C55 C56 H56 127.5 . . ?
C57 C56 C55 104.9(3) . . ?
C57 C56 H56 127.5 . . ?
N3 C57 C56 107.4(3) . . ?
N3 C57 H57 126.3 . . ?
C56 C57 H57 126.3 . . ?
N3 C58 H58A 109.3 . . ?
N3 C58 H58B 109.3 . . ?
N3 C58 C59 111.6(3) . . ?
H58A C58 H58B 108.0 . . ?
C59 C58 H58A 109.3 . . ?
C59 C58 H58B 109.3 . . ?
N4 C59 C58 116.1(3) . . ?
N4 C59 C66 122.0(3) . . ?
C66 C59 C58 121.9(3) . . ?
N4 C60 C61 119.8(3) . . ?
N4 C60 C65 120.7(3) . . ?
C65 C60 C61 119.5(3) . . ?
C60 C61 H61 120.3 . . ?
C62 C61 C60 119.5(4) . . ?
C62 C61 H61 120.3 . . ?
C61 C62 H62 119.4 . . ?
C61 C62 C63 121.2(4) . . ?
C63 C62 H62 119.4 . . ?
C62 C63 H63 119.6 . . ?
C64 C63 C62 120.8(4) . . ?
C64 C63 H63 119.6 . . ?
C63 C64 H64 120.2 . . ?
C63 C64 C65 119.5(4) . . ?
C65 C64 H64 120.2 . . ?
N5 C65 C60 121.1(3) . . ?
N5 C65 C64 119.3(3) . . ?
C60 C65 C64 119.5(3) . . ?
N5 C66 C59 121.9(3) . . ?
N5 C66 C67 116.9(3) . . ?
C59 C66 C67 121.3(3) . . ?
N6 C67 C66 112.2(3) . . ?
N6 C67 H67A 109.2 . . ?
N6 C67 H67B 109.2 . . ?
C66 C67 H67A 109.2 . . ?
C66 C67 H67B 109.2 . . ?
H67A C67 H67B 107.9 . . ?
N6 C68 H68 126.1 . . ?
N6 C68 C69 107.9(3) . . ?
C69 C68 H68 126.1 . . ?
C68 C69 H69 127.5 . . ?
C68 C69 C70 104.9(3) . . ?
C70 C69 H69 127.5 . . ?
N7 C70 C69 110.2(3) . . ?
N7 C70 C71 120.5(3) . . ?
C69 C70 C71 129.2(3) . . ?
N8 C71 C70 116.6(3) . . ?
N8 C71 C72 122.6(3) . . ?
C72 C71 C70 120.8(3) . . ?
C71 C72 H72 120.6 . . ?
C73 C72 C71 118.9(3) . . ?
C73 C72 H72 120.6 . . ?
C72 C73 H73 120.4 . . ?
C74 C73 C72 119.1(4) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 120.8 . . ?
C73 C74 C75 118.4(3) . . ?
C75 C74 H74 120.8 . . ?
N8 C75 C74 124.0(4) . . ?
N8 C75 H75 118.0 . . ?
C74 C75 H75 118.0 . . ?
O6 Cl1 O5 108.4(2) . . ?
O7 Cl1 O5 108.1(2) . . ?
O7 Cl1 O6 109.4(2) . . ?
O8 Cl1 O5 107.1(2) . . ?
O8 Cl1 O6 112.3(3) . . ?
O8 Cl1 O7 111.4(2) . . ?
O1 Cl2 O2 105.2(2) . . ?
O3 Cl2 O1 111.7(2) . . ?
O3 Cl2 O2 107.0(4) . . ?
O3 Cl2 O4 113.7(2) . . ?
O4 Cl2 O1 112.2(2) . . ?
O4 Cl2 O2 106.4(3) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C4 C3 C2 119.7(10) . . ?
C4A C3A H3A 120.0 . . ?
C4A C3A C2 120.0 . . ?
C2 C3A H3A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5 C4A C3A 120.0 . . ?
C5 C4A H4A 120.0 . . ?
C4A C5 C8 120.9(5) . . ?
C6 C5 C8 119.1(5) . . ?
C4 C5 C6 98.0(6) . . ?
C4 C5 C8 111.4(7) . . ?
C6A C5 C4A 101.2(7) . . ?
C6A C5 C8 123.0(8) . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C2 C7 C6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C1 C2 C3 119.7(8) . . ?
C3A C2 C1 121.0(6) . . ?
C7 C2 C1 118.9(6) . . ?
C7 C2 C3 88.0(6) . . ?
C7A C2 C1 129.2(8) . . ?
C7A C2 C3A 98.8(7) . . ?
C3 C4 H4 122.8 . . ?
C5 C4 C3 114.4(10) . . ?
C5 C4 H4 122.8 . . ?
C5 C6A H6A 119.3 . . ?
C5 C6A C7A 121.4(12) . . ?
C7A C6A H6A 119.3 . . ?
C2 C7A H7A 115.7 . . ?
C6A C7A C2 128.5(12) . . ?
C6A C7A H7A 115.7 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C10 C12 126.3(14) . . ?
C9 C10 C15 116.3(13) . 3_676 ?
C11 C10 C9 176.3(19) . . ?
C11 C10 C12 50.0(11) . . ?
C11 C10 C15 67.4(12) . 3_676 ?
C12 C10 C15 117.3(12) . 3_676 ?
C10 C11 C12 84.7(15) . . ?
C10 C11 C13 141.5(16) . . ?
C10 C11 C13 152.4(15) . 3_676 ?
C10 C11 C14 117.8(15) . 3_676 ?
C10 C11 C15 73.3(13) . 3_676 ?
C12 C11 C13 122.8(12) . 3_676 ?
C12 C11 C13 56.8(9) . . ?
C12 C11 C14 157.4(14) . 3_676 ?
C12 C11 C15 157.9(15) . 3_676 ?
C13 C11 C13 66.1(7) . 3_676 ?
C13 C11 C14 100.7(9) . 3_676 ?
C14 C11 C13 34.6(5) 3_676 3_676 ?
C15 C11 C13 79.1(8) 3_676 3_676 ?
C15 C11 C13 145.2(11) 3_676 . ?
C15 C11 C14 44.5(6) 3_676 3_676 ?
C11 C12 C10 45.3(9) . . ?
C11 C12 C13 78.4(12) . . ?
C13 C12 C10 123.7(12) . . ?
C11 C13 C11 114.0(7) . 3_676 ?
C11 C13 C13 69.2(7) . 3_676 ?
C12 C13 C11 44.8(7) . . ?
C12 C13 C11 158.7(8) . 3_676 ?
C12 C13 C13 113.9(9) . 3_676 ?
C13 C13 C11 44.8(5) 3_676 3_676 ?
C14 C13 C11 58.7(9) . 3_676 ?
C14 C13 C11 172.6(11) . . ?
C14 C13 C12 142.6(11) . . ?
C14 C13 C13 103.5(10) . 3_676 ?
C13 C14 C11 86.6(10) . 3_676 ?
C13 C14 C15 143.7(15) . . ?
C15 C14 C11 57.1(8) . 3_676 ?
C11 C15 C10 39.3(7) 3_676 3_676 ?
C14 C15 C10 117.7(12) . 3_676 ?
C14 C15 C11 78.4(10) . 3_676 ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
C18 C17 C16 120.2(9) . . ?
C19 C17 C16 126.3(10) 3_766 . ?
C19 C17 C18 113.5(8) 3_766 . ?
C17 C18 H18 118.3 . . ?
C19 C18 C17 123.4(6) . . ?
C19 C18 H18 118.3 . . ?
C17 C19 H19 118.5 3_766 . ?
C18 C19 C17 123.1(7) . 3_766 ?
C18 C19 H19 118.5 . . ?
C21 C20 H20 119.0 . . ?
C21 C20 C22 121.9(6) . 3_666 ?
C22 C20 H20 119.0 3_666 . ?
C20 C21 H21 119.5 . . ?
C20 C21 C22 121.0(6) . . ?
C22 C21 H21 119.5 . . ?
C20 C22 C23 121.9(7) 3_666 . ?
C21 C22 C20 117.0(7) . 3_666 ?
C21 C22 C23 121.0(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_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 1.200
_oxdiff_exptl_absorpt_empirical_full_min 0.880
####################################################################### 
# 
# 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_m-xylene@M
_audit_block_doi                 10.5517/ccdc.csd.cc21f5zn
_database_code_depnum_ccdc_archive 'CCDC 1889511'
loop_
_audit_author_name
_audit_author_address
'Na Sun'
;Nankai University
China
;
_audit_update_record             
;
2019-01-25 deposited with the CCDC.	2019-08-13 downloaded from the CCDC.
;
_audit_creation_date             2018-10-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H20 Ag N8, Cl O4, 0.5(C8 H10)'
_chemical_formula_sum            'C30 H25 Ag Cl N8 O4'
_chemical_formula_weight         704.90
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.73870(10)
_cell_length_b                   11.8558(2)
_cell_length_c                   12.6250(2)
_cell_angle_alpha                67.1420(10)
_cell_angle_beta                 76.6260(10)
_cell_angle_gamma                86.6820(10)
_cell_volume                     1440.05(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12643
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.9700
_cell_measurement_theta_min      5.0430
_shelx_estimated_absorpt_T_max   0.874
_shelx_estimated_absorpt_T_min   0.724
_exptl_absorpt_coefficient_mu    6.910
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             714
_exptl_crystal_size_max          0.05
_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  0.0175
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14307
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.078
_diffrn_reflns_theta_min         3.902
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -53.00  29.00   0.50    0.50    --    0.00 -57.00 120.00  164
  2  ω    -88.00 -56.00   0.50    0.50    --    0.00 -57.00 120.00   64
  3  ω    -37.00 -10.00   0.50    0.50    --    0.00 -38.00-120.00   54
  4  ω    -32.00  21.00   0.50    0.50    --    0.00  38.00 120.00  106
  5  ω     31.00  87.00   0.50    0.50    --    0.00  38.00 120.00  112
  6  ω     -5.00  21.00   0.50    0.50    --    0.00 -38.00-120.00   52
  7  ω     65.00 183.00   0.50    0.50    --   95.80  45.00 -60.00  236
  8  ω    108.00 184.00   0.50    0.50    --   95.80  45.00  30.00  152
  9  ω      6.00  50.00   0.50    0.50    --   95.80 -82.00  90.00   88
 10  ω     49.00 122.00   0.50    0.50    --   95.80 -61.00-180.00  146
 11  ω     90.00 183.00   0.50    0.50    --   95.80  45.00 -30.00  186
 12  ω     11.00 105.00   0.50    0.50    --   95.80 -61.00  90.00  188
 13  ω     51.00 126.00   0.50    0.50    --   95.80 -61.00 -60.00  150
 14  ω     72.00  99.00   0.50    0.50    --   95.80 -82.00  30.00   54
 15  ω     59.00 132.00   0.50    0.50    --   95.80 -82.00-180.00  146
 16  ω     54.00 132.00   0.50    0.50    --   95.80 -82.00  90.00  156
 17  ω     78.00 103.00   0.50    0.50    --   95.80 -82.00-120.00   50
 18  ω    100.00 168.00   0.50    0.50    --   95.80  61.00-120.00  136
 19  ω     10.00 132.00   0.50    0.50    --   95.80 -82.00 -60.00  244
 20  ω    112.00 180.00   0.50    0.50    --   95.80  45.00   0.00  136
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0102852000
_diffrn_orient_matrix_UB_12      -0.0708245000
_diffrn_orient_matrix_UB_13      -0.0811850000
_diffrn_orient_matrix_UB_21      0.1211071000
_diffrn_orient_matrix_UB_22      -0.0609098000
_diffrn_orient_matrix_UB_23      0.0395176000
_diffrn_orient_matrix_UB_31      -0.0836598000
_diffrn_orient_matrix_UB_32      -0.1057576000
_diffrn_orient_matrix_UB_33      0.1016665000
_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 (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5584
_reflns_number_total             5659
_reflns_odcompleteness_completeness 99.73
_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 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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         2.164
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         5659
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0373
_refine_ls_restrained_S_all      1.054
_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)+(0.0639P)²+2.3401P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1047
_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. Restrained distances
 C34-C30
 1.55 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34:
within 1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C34) \\sim Ueq, Uanis(C33) \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.006
4. Others
 Fixed Sof: C32(0.5) C27(0.5) H27(0.5) C28(0.5) H28(0.5) C29(0.5) H29(0.5)
 C30(0.5) C31(0.5) H31(0.5) C33(0.5) H33A(0.5) H33B(0.5) H33C(0.5) C34(0.5)
 H34A(0.5) H34B(0.5) H34C(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C18(H18A,H18B)
5.b Me refined with riding coordinates:
 C33(H33A,H33B,H33C), C34(H34A,H34B,H34C)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C9(H9), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C19(H19), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26),
  C27(H27), C28(H28), C29(H29), C31(H31)
5.d Fitted hexagon refined as free rotating group:
 C32(C27,C28,C29,C30,C31)
;
_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 0.78787(2) 0.48640(2) 0.62015(2) 0.03046(9) Uani 1 1 d . . . . .
N1 N 0.6267(2) 0.1291(2) 0.7831(2) 0.0214(5) Uani 1 1 d . . . . .
N2 N 0.5001(2) 0.1794(2) 0.9816(2) 0.0209(5) Uani 1 1 d . . . . .
N3 N 0.8752(2) 0.2084(2) 0.6745(2) 0.0220(5) Uani 1 1 d . . . . .
N4 N 0.8690(2) 0.3233(2) 0.5950(2) 0.0198(4) Uani 1 1 d . . . . .
N5 N 0.8545(2) 0.5265(2) 0.3932(2) 0.0237(5) Uani 1 1 d . . . . .
N6 N 0.6861(3) 0.3777(2) 0.9671(2) 0.0260(5) Uani 1 1 d . . . . .
N7 N 0.6960(2) 0.4511(2) 0.8527(2) 0.0215(5) Uani 1 1 d . . . . .
N8 N 0.7388(2) 0.6619(2) 0.6380(2) 0.0249(5) Uani 1 1 d . . . . .
C1 C 0.2311(3) 0.0783(3) 0.9045(3) 0.0240(6) Uani 1 1 d . . . . .
H1 H 0.1429 0.0649 0.9315 0.029 Uiso 1 1 calc R . . . .
C2 C 0.2937(3) 0.0571(3) 0.8030(3) 0.0250(6) Uani 1 1 d . . . . .
H2 H 0.2463 0.0313 0.7630 0.030 Uiso 1 1 calc R . . . .
C3 C 0.4239(3) 0.0743(3) 0.7628(2) 0.0240(6) Uani 1 1 d . . . . .
H3 H 0.4644 0.0602 0.6958 0.029 Uiso 1 1 calc R . . . .
C4 C 0.4967(3) 0.1134(2) 0.8232(2) 0.0198(5) Uani 1 1 d . . . . .
C5 C 0.4330(3) 0.1376(2) 0.9237(2) 0.0198(5) Uani 1 1 d . . . . .
C6 C 0.2989(3) 0.1185(2) 0.9641(2) 0.0229(5) Uani 1 1 d . . . . .
H6 H 0.2567 0.1331 1.0305 0.028 Uiso 1 1 calc R . . . .
C7 C 0.6890(3) 0.1689(2) 0.8410(2) 0.0206(5) Uani 1 1 d . . . . .
C8 C 0.8331(3) 0.1836(3) 0.7988(2) 0.0239(5) Uani 1 1 d . . . . .
H8A H 0.8627 0.2502 0.8142 0.029 Uiso 1 1 calc R . . . .
H8B H 0.8715 0.1093 0.8432 0.029 Uiso 1 1 calc R . . . .
C9 C 0.9106(3) 0.1289(3) 0.6212(3) 0.0284(6) Uani 1 1 d . . . . .
H9 H 0.9193 0.0450 0.6586 0.034 Uiso 1 1 calc R . . . .
C10 C 0.9316(3) 0.1947(3) 0.5013(3) 0.0285(6) Uani 1 1 d . . . . .
H10 H 0.9580 0.1654 0.4415 0.034 Uiso 1 1 calc R . . . .
C11 C 0.9044(3) 0.3162(3) 0.4893(2) 0.0211(5) Uani 1 1 d . . . . .
C12 C 0.9102(3) 0.4261(3) 0.3809(2) 0.0214(5) Uani 1 1 d . . . . .
C13 C 0.9701(3) 0.4230(3) 0.2718(3) 0.0252(6) Uani 1 1 d . . . . .
H13 H 1.0082 0.3522 0.2669 0.030 Uiso 1 1 calc R . . . .
C14 C 0.9718(3) 0.5271(3) 0.1705(3) 0.0270(6) Uani 1 1 d . . . . .
H14 H 1.0114 0.5275 0.0966 0.032 Uiso 1 1 calc R . . . .
C15 C 0.9135(3) 0.6305(3) 0.1817(3) 0.0293(6) Uani 1 1 d . . . . .
H15 H 0.9123 0.7015 0.1154 0.035 Uiso 1 1 calc R . . . .
C16 C 0.8566(3) 0.6256(3) 0.2944(3) 0.0286(6) Uani 1 1 d . . . . .
H16 H 0.8179 0.6954 0.3014 0.034 Uiso 1 1 calc R . . . .
C17 C 0.6249(3) 0.1961(2) 0.9407(2) 0.0210(5) Uani 1 1 d . . . . .
C18 C 0.6960(3) 0.2450(3) 1.0046(2) 0.0251(6) Uani 1 1 d . . . . .
H18A H 0.6610 0.2061 1.0890 0.030 Uiso 1 1 calc R . . . .
H18B H 0.7855 0.2249 0.9891 0.030 Uiso 1 1 calc R . . . .
C19 C 0.6731(5) 0.4415(3) 1.0362(3) 0.0549(12) Uani 1 1 d . . . . .
H19 H 0.6652 0.4092 1.1174 0.066 Uiso 1 1 calc R . . . .
C20 C 0.6736(5) 0.5626(3) 0.9653(3) 0.0531(12) Uani 1 1 d . . . . .
H20 H 0.6661 0.6291 0.9878 0.064 Uiso 1 1 calc R . . . .
C21 C 0.6878(3) 0.5649(3) 0.8512(3) 0.0238(6) Uani 1 1 d . . . . .
C22 C 0.6958(3) 0.6740(3) 0.7417(2) 0.0213(5) Uani 1 1 d . . . . .
C23 C 0.6649(3) 0.7883(3) 0.7464(3) 0.0242(6) Uani 1 1 d . . . . .
H23 H 0.6327 0.7949 0.8187 0.029 Uiso 1 1 calc R . . . .
C24 C 0.6826(3) 0.8915(3) 0.6430(3) 0.0291(6) Uani 1 1 d . . . . .
H24 H 0.6645 0.9684 0.6451 0.035 Uiso 1 1 calc R . . . .
C25 C 0.7275(4) 0.8791(3) 0.5365(3) 0.0361(7) Uani 1 1 d . . . . .
H25 H 0.7405 0.9470 0.4655 0.043 Uiso 1 1 calc R . . . .
C26 C 0.7526(3) 0.7625(3) 0.5388(3) 0.0343(7) Uani 1 1 d . . . . .
H26 H 0.7808 0.7535 0.4672 0.041 Uiso 1 1 calc R . . . .
Cl1 Cl 0.03031(6) 0.83269(6) 0.83065(5) 0.02230(14) Uani 1 1 d . . . . .
O1 O 0.0171(2) 0.9123(2) 0.8948(2) 0.0359(5) Uani 1 1 d . . . . .
O2 O 0.1264(3) 0.8843(3) 0.7242(2) 0.0502(7) Uani 1 1 d . . . . .
O3 O -0.0884(2) 0.8237(2) 0.8005(3) 0.0458(7) Uani 1 1 d . . . . .
O4 O 0.0662(3) 0.7147(2) 0.9009(2) 0.0432(6) Uani 1 1 d . . . . .
C32 C 0.4294(5) 0.6352(3) 0.5693(5) 0.0492(19) Uani 0.5 1 d . U P A -1
C27 C 0.4508(5) 0.5373(4) 0.6682(4) 0.0291(14) Uani 0.5 1 d G U P A -1
H27 H 0.4302 0.5428 0.7417 0.035 Uiso 0.5 1 calc R . P A -1
C28 C 0.5029(5) 0.4313(3) 0.6571(4) 0.0311(13) Uani 0.5 1 d G U P A -1
H28 H 0.5173 0.3659 0.7232 0.037 Uiso 0.5 1 calc R . P A -1
C29 C 0.5336(6) 0.4231(4) 0.5472(5) 0.0356(18) Uani 0.5 1 d G U P A -1
H29 H 0.5685 0.3521 0.5398 0.043 Uiso 0.5 1 calc R . P A -1
C30 C 0.5122(7) 0.5209(5) 0.4484(4) 0.056(2) Uani 0.5 1 d DG U P A -1
C31 C 0.4601(6) 0.6270(4) 0.4595(4) 0.059(3) Uani 0.5 1 d G U P A -1
H31 H 0.4458 0.6924 0.3933 0.071 Uiso 0.5 1 calc R . P A -1
C33 C 0.3797(10) 0.7655(12) 0.5966(11) 0.084(3) Uani 0.5 1 d . U P . .
H33A H 0.3667 0.8293 0.5251 0.126 Uiso 0.5 1 calc R . P A .
H33B H 0.3009 0.7469 0.6556 0.126 Uiso 0.5 1 calc R . P . .
H33C H 0.4440 0.7923 0.6241 0.126 Uiso 0.5 1 calc R . P . .
C34 C 0.5471(13) 0.5142(15) 0.3288(10) 0.071(3) Uani 0.5 1 d D U P . .
H34A H 0.5260 0.5891 0.2712 0.107 Uiso 0.5 1 calc R . P A .
H34B H 0.6374 0.5022 0.3087 0.107 Uiso 0.5 1 calc R . P . .
H34C H 0.5004 0.4469 0.3301 0.107 Uiso 0.5 1 calc R . P . .


_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 N4 2.181(2) . ?
Ag1 N5 2.642(2) . ?
Ag1 N7 2.743(2) . ?
Ag1 N8 2.200(2) . ?
N1 C4 1.367(4) . ?
N1 C7 1.316(4) . ?
N2 C5 1.366(4) . ?
N2 C17 1.317(4) . ?
N3 N4 1.351(3) . ?
N3 C8 1.443(4) . ?
N3 C9 1.348(4) . ?
N4 C11 1.334(4) . ?
N5 C12 1.348(4) . ?
N5 C16 1.337(4) . ?
N6 N7 1.348(3) . ?
N6 C18 1.462(4) . ?
N6 C19 1.340(4) . ?
N7 C21 1.340(4) . ?
N8 C22 1.344(4) . ?
N8 C26 1.336(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.410(4) . ?
C1 C6 1.377(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.371(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.414(4) . ?
C4 C5 1.420(4) . ?
C5 C6 1.412(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.512(4) . ?
C7 C17 1.433(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C10 1.377(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.409(4) . ?
C11 C12 1.470(4) . ?
C12 C13 1.393(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.385(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.393(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.506(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19 0.9300 . ?
C19 C20 1.365(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.403(4) . ?
C21 C22 1.470(4) . ?
C22 C23 1.397(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.381(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.382(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.384(4) . ?
C26 H26 0.9300 . ?
Cl1 O1 1.446(2) . ?
Cl1 O2 1.428(2) . ?
Cl1 O3 1.433(2) . ?
Cl1 O4 1.422(2) . ?
C32 C27 1.3900 . ?
C32 C31 1.3900 . ?
C32 C33 1.739(13) . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 H28 0.9300 . ?
C28 C29 1.3900 . ?
C29 H29 0.9300 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C30 C34 1.501(11) . ?
C31 H31 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 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
N4 Ag1 N5 69.46(8) . . ?
N4 Ag1 N7 113.49(8) . . ?
N4 Ag1 N8 170.60(9) . . ?
N5 Ag1 N7 174.62(7) . . ?
N8 Ag1 N5 108.55(8) . . ?
N8 Ag1 N7 69.31(8) . . ?
C7 N1 C4 117.0(2) . . ?
C17 N2 C5 117.5(2) . . ?
N4 N3 C8 119.3(2) . . ?
C9 N3 N4 111.5(2) . . ?
C9 N3 C8 128.9(2) . . ?
N3 N4 Ag1 130.40(18) . . ?
C11 N4 Ag1 123.05(18) . . ?
C11 N4 N3 105.7(2) . . ?
C12 N5 Ag1 108.79(18) . . ?
C16 N5 Ag1 133.6(2) . . ?
C16 N5 C12 117.1(2) . . ?
N7 N6 C18 121.4(2) . . ?
C19 N6 N7 112.1(3) . . ?
C19 N6 C18 126.4(3) . . ?
N6 N7 Ag1 147.93(18) . . ?
C21 N7 Ag1 103.84(17) . . ?
C21 N7 N6 104.8(2) . . ?
C22 N8 Ag1 124.25(19) . . ?
C26 N8 Ag1 117.4(2) . . ?
C26 N8 C22 118.3(3) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C6 C1 C2 120.9(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(3) . . ?
C4 C3 H3 120.0 . . ?
N1 C4 C3 119.7(2) . . ?
N1 C4 C5 121.0(2) . . ?
C3 C4 C5 119.3(2) . . ?
N2 C5 C4 120.7(2) . . ?
N2 C5 C6 119.5(2) . . ?
C6 C5 C4 119.7(2) . . ?
C1 C6 C5 119.5(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
N1 C7 C8 117.2(2) . . ?
N1 C7 C17 122.2(3) . . ?
C17 C7 C8 120.6(2) . . ?
N3 C8 C7 112.4(2) . . ?
N3 C8 H8A 109.1 . . ?
N3 C8 H8B 109.1 . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
N3 C9 H9 126.3 . . ?
N3 C9 C10 107.4(3) . . ?
C10 C9 H9 126.3 . . ?
C9 C10 H10 127.6 . . ?
C9 C10 C11 104.8(3) . . ?
C11 C10 H10 127.6 . . ?
N4 C11 C10 110.6(2) . . ?
N4 C11 C12 120.6(2) . . ?
C10 C11 C12 128.8(3) . . ?
N5 C12 C11 117.0(2) . . ?
N5 C12 C13 123.0(3) . . ?
C13 C12 C11 120.0(3) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.0(3) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.7(3) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 H15 120.8 . . ?
C14 C15 C16 118.5(3) . . ?
C16 C15 H15 120.8 . . ?
N5 C16 C15 123.8(3) . . ?
N5 C16 H16 118.1 . . ?
C15 C16 H16 118.1 . . ?
N2 C17 C7 121.5(2) . . ?
N2 C17 C18 116.3(2) . . ?
C7 C17 C18 122.1(3) . . ?
N6 C18 C17 111.2(2) . . ?
N6 C18 H18A 109.4 . . ?
N6 C18 H18B 109.4 . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
N6 C19 H19 126.3 . . ?
N6 C19 C20 107.4(3) . . ?
C20 C19 H19 126.3 . . ?
C19 C20 H20 127.5 . . ?
C19 C20 C21 105.0(3) . . ?
C21 C20 H20 127.5 . . ?
N7 C21 C20 110.7(3) . . ?
N7 C21 C22 122.4(2) . . ?
C20 C21 C22 126.8(3) . . ?
N8 C22 C21 118.5(2) . . ?
N8 C22 C23 121.2(3) . . ?
C23 C22 C21 120.2(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.6(3) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 120.4 . . ?
C23 C24 C25 119.1(3) . . ?
C25 C24 H24 120.4 . . ?
C24 C25 H25 121.1 . . ?
C24 C25 C26 117.8(3) . . ?
C26 C25 H25 121.1 . . ?
N8 C26 C25 123.9(3) . . ?
N8 C26 H26 118.1 . . ?
C25 C26 H26 118.1 . . ?
O2 Cl1 O1 108.90(14) . . ?
O2 Cl1 O3 108.51(18) . . ?
O3 Cl1 O1 109.67(15) . . ?
O4 Cl1 O1 109.77(15) . . ?
O4 Cl1 O2 109.78(19) . . ?
O4 Cl1 O3 110.19(16) . . ?
C27 C32 C31 120.0 . . ?
C27 C32 C33 113.7(5) . . ?
C31 C32 C33 126.0(5) . . ?
C32 C27 H27 120.0 . . ?
C28 C27 C32 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 C34 120.6(7) . . ?
C31 C30 C34 119.4(7) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

_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 1.895
_oxdiff_exptl_absorpt_empirical_full_min 0.689
####################################################################### 
# 
# 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_o-xylene@M_sq
_audit_block_doi                 10.5517/ccdc.csd.cc21f60q
_database_code_depnum_ccdc_archive 'CCDC 1889512'
loop_
_audit_author_name
_audit_author_address
'Na Sun'
;Nankai University
China
;
_audit_update_record             
;
2019-01-25 deposited with the CCDC.	2019-08-13 downloaded from the CCDC.
;
_audit_creation_date             2018-10-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C26 H20 Ag N8), 2(Cl O4), 2(C8 H10)'
_chemical_formula_sum            'C68 H60 Ag2 Cl2 N16 O8'
_chemical_formula_weight         1515.96
_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'
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.99950(10)
_cell_length_b                   23.1335(3)
_cell_length_c                   20.7862(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.7230(10)
_cell_angle_gamma                90
_cell_volume                     6670.70(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    22953
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.8570
_cell_measurement_theta_min      2.8550
_shelx_estimated_absorpt_T_max   0.889
_shelx_estimated_absorpt_T_min   0.840
_exptl_absorpt_coefficient_mu    6.010
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55215
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37953
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.299
_diffrn_reflns_theta_min         2.872
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     24.00  89.00   0.50    0.50    --    0.00  77.00-150.00  130
  2  ω    -35.00  21.00   0.50    0.50    --    0.00  77.00-150.00  112
  3  ω    -53.00  25.00   0.50    0.50    --    0.00  19.00-180.00  156
  4  ω    -21.00   4.00   0.50    0.50    --    0.00  57.00  60.00   50
  5  ω     67.00 145.00   0.50    0.50    --   95.80  61.00 150.00  156
  6  ω     14.00  83.00   0.50    0.50    --   95.80 -45.00   0.00  138
  7  ω     93.00 152.00   0.50    0.50    --   95.80  45.00-150.00  118
  8  ω      9.00 125.00   0.50    0.50    --   95.80 -61.00   0.00  232
  9  ω     89.00 171.00   0.50    0.50    --   95.80  45.00 -90.00  164
 10  ω     83.00 137.00   0.50    0.50    --   95.80  45.00-180.00  108
 11  ω     78.00 178.00   0.50    0.50    --   95.80  45.00-120.00  200
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0349242000
_diffrn_orient_matrix_UB_12      0.0257614000
_diffrn_orient_matrix_UB_13      -0.0611014000
_diffrn_orient_matrix_UB_21      0.0532873000
_diffrn_orient_matrix_UB_22      0.0481103000
_diffrn_orient_matrix_UB_23      0.0416350000
_diffrn_orient_matrix_UB_31      0.0909170000
_diffrn_orient_matrix_UB_32      -0.0381876000
_diffrn_orient_matrix_UB_33      0.0112867000
_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 (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12107
_reflns_number_total             13191
_reflns_odcompleteness_completeness 99.89
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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         1.886
_refine_diff_density_min         -1.585
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         13191
_refine_ls_number_restraints     46
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0750
_refine_ls_restrained_S_all      1.061
_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)+(0.0997P)²+31.8068P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2077
_refine_ls_wR_factor_ref         0.2104
_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. Restrained distances
 C64-C65
 1.45 with sigma of 0.02
 O1-O3
 2.4 with sigma of 0.02
 O1-O2
 2.4 with sigma of 0.02
 O1-Cl1
 1.47 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67: within 1.7A with sigma
of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Others
 Fixed Sof: Cl1(0.6) Cl1A(0.4)
5.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C44(H44A,H44B), C9(H9A,H9B), C18(H18A,H18B)
5.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C28(H28), C29(H29), C30(H30), C33(H33), C34(H34), C38(H38),
 C39(H39), C40(H40), C42(H42), C45(H45), C46(H46), C49(H49), C50(H50), C51(H51),
  C52(H52), C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C12(H12), C13(H13),
 C14(H14), C15(H15), C19(H19), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26),
  C55(H55), C56(H56), C57(H57), C58(H58), C63(H63), C64(H64), C65(H65), C66(H66)
5.c Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C68(H68A,H68B,
 H68C)
;
_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 0.70890(3) 0.71890(2) 0.65683(2) 0.04874(16) Uani 1 1 d . . . . .
N9 N 0.8931(3) 0.73866(18) 0.66094(19) 0.0301(8) Uani 1 1 d . . . . .
N10 N 0.7907(3) 0.63771(17) 0.67179(18) 0.0271(8) Uani 1 1 d . . . . .
N11 N 0.7603(3) 0.58277(18) 0.67205(18) 0.0306(9) Uani 1 1 d . . . . .
N12 N 0.6595(3) 0.55718(16) 0.55345(18) 0.0253(8) Uani 1 1 d . . . . .
N13 N 0.4623(3) 0.58530(16) 0.52594(18) 0.0256(8) Uani 1 1 d . . . . .
N14 N 0.4356(3) 0.66216(18) 0.64398(19) 0.0300(8) Uani 1 1 d . . . . .
N15 N 0.5128(3) 0.69830(18) 0.65227(19) 0.0294(8) Uani 1 1 d . . . . .
N16 N 0.6279(3) 0.7999(2) 0.6607(2) 0.0395(10) Uani 1 1 d . . . . .
C27 C 0.6784(5) 0.8487(3) 0.6636(4) 0.0602(19) Uani 1 1 d . . . . .
H27 H 0.7437 0.8461 0.6597 0.072 Uiso 1 1 calc R . . . .
C28 C 0.6408(4) 0.9031(3) 0.6720(4) 0.0545(17) Uani 1 1 d . . . . .
H28 H 0.6795 0.9359 0.6745 0.065 Uiso 1 1 calc R . . . .
C29 C 0.5440(4) 0.9067(2) 0.6764(3) 0.0412(12) Uani 1 1 d . . . . .
H29 H 0.5157 0.9422 0.6830 0.049 Uiso 1 1 calc R . . . .
C30 C 0.4890(4) 0.8569(2) 0.6711(3) 0.0356(11) Uani 1 1 d . . . . .
H30 H 0.4231 0.8589 0.6728 0.043 Uiso 1 1 calc R . . . .
C31 C 0.5326(3) 0.8037(2) 0.6630(2) 0.0280(9) Uani 1 1 d . . . . .
C32 C 0.4740(3) 0.7510(2) 0.6559(2) 0.0273(9) Uani 1 1 d . . . . .
C33 C 0.3731(4) 0.7482(2) 0.6507(3) 0.0370(11) Uani 1 1 d . . . . .
H33 H 0.3302 0.7787 0.6522 0.044 Uiso 1 1 calc R . . . .
C34 C 0.3517(4) 0.6907(2) 0.6430(3) 0.0387(12) Uani 1 1 d . . . . .
H34 H 0.2905 0.6743 0.6380 0.046 Uiso 1 1 calc R . . . .
C35 C 0.4488(4) 0.5999(2) 0.6387(2) 0.0307(10) Uani 1 1 d . . . . .
H35A H 0.3862 0.5814 0.6298 0.037 Uiso 1 1 calc R . . . .
H35B H 0.4806 0.5851 0.6797 0.037 Uiso 1 1 calc R . . . .
C36 C 0.5080(3) 0.58491(19) 0.5855(2) 0.0248(9) Uani 1 1 d . . . . .
C37 C 0.5152(3) 0.57202(18) 0.4769(2) 0.0229(8) Uani 1 1 d . . . . .
C38 C 0.4695(4) 0.5723(2) 0.4118(2) 0.0307(10) Uani 1 1 d . . . . .
H38 H 0.4044 0.5815 0.4024 0.037 Uiso 1 1 calc R . . . .
C39 C 0.5219(4) 0.5590(2) 0.3632(2) 0.0331(11) Uani 1 1 d . . . . .
H39 H 0.4921 0.5595 0.3204 0.040 Uiso 1 1 calc R . . . .
C40 C 0.6208(4) 0.5443(2) 0.3763(2) 0.0340(11) Uani 1 1 d . . . . .
H40 H 0.6554 0.5354 0.3424 0.041 Uiso 1 1 calc R . . . .
C41 C 0.6143(3) 0.55734(19) 0.4908(2) 0.0240(9) Uani 1 1 d . . . . .
C42 C 0.6657(4) 0.5433(2) 0.4394(2) 0.0312(10) Uani 1 1 d . . . . .
H42 H 0.7305 0.5333 0.4481 0.037 Uiso 1 1 calc R . . . .
C43 C 0.6085(3) 0.57092(19) 0.5992(2) 0.0249(9) Uani 1 1 d . . . . .
C44 C 0.6583(3) 0.5704(2) 0.6688(2) 0.0312(10) Uani 1 1 d . . . . .
H44A H 0.6286 0.5989 0.6939 0.037 Uiso 1 1 calc R . . . .
H44B H 0.6500 0.5327 0.6878 0.037 Uiso 1 1 calc R . . . .
C45 C 0.8342(4) 0.5461(2) 0.6737(2) 0.0357(11) Uani 1 1 d . . . . .
H45 H 0.8302 0.5059 0.6736 0.043 Uiso 1 1 calc R . . . .
C46 C 0.9173(4) 0.5783(2) 0.6757(2) 0.0347(11) Uani 1 1 d . . . . .
H46 H 0.9802 0.5648 0.6776 0.042 Uiso 1 1 calc R . . . .
C47 C 0.8864(3) 0.6360(2) 0.6741(2) 0.0265(9) Uani 1 1 d . . . . .
C48 C 0.9434(3) 0.6892(2) 0.6727(2) 0.0264(9) Uani 1 1 d . . . . .
C49 C 1.0432(4) 0.6873(2) 0.6827(2) 0.0321(10) Uani 1 1 d . . . . .
H49 H 1.0752 0.6523 0.6914 0.038 Uiso 1 1 calc R . . . .
C50 C 1.0946(4) 0.7380(3) 0.6796(2) 0.0365(11) Uani 1 1 d . . . . .
H50 H 1.1617 0.7379 0.6860 0.044 Uiso 1 1 calc R . . . .
C51 C 1.0436(4) 0.7890(2) 0.6667(3) 0.0362(11) Uani 1 1 d . . . . .
H51 H 1.0758 0.8240 0.6647 0.043 Uiso 1 1 calc R . . . .
C52 C 0.9443(4) 0.7871(2) 0.6570(3) 0.0365(11) Uani 1 1 d . . . . .
H52 H 0.9109 0.8214 0.6472 0.044 Uiso 1 1 calc R . . . .
Ag2 Ag 0.78102(3) 0.79050(2) 0.33954(2) 0.04602(15) Uani 1 1 d . . . . .
N1 N 0.8558(3) 0.70885(18) 0.3264(2) 0.0349(10) Uani 1 1 d . . . . .
N2 N 0.9720(3) 0.80898(17) 0.33979(18) 0.0278(8) Uani 1 1 d . . . . .
N3 N 1.0493(3) 0.84519(17) 0.35164(19) 0.0286(8) Uani 1 1 d . . . . .
N4 N 1.0263(3) 0.91911(16) 0.47178(19) 0.0260(8) Uani 1 1 d . . . . .
N5 N 0.8280(3) 0.94586(16) 0.44908(18) 0.0255(8) Uani 1 1 d . . . . .
N6 N 0.7231(3) 0.92543(17) 0.33034(18) 0.0282(8) Uani 1 1 d . . . . .
N7 N 0.6948(3) 0.86989(16) 0.32872(18) 0.0264(8) Uani 1 1 d . . . . .
N8 N 0.5957(3) 0.76741(18) 0.3375(2) 0.0328(9) Uani 1 1 d . . . . .
C1 C 0.8025(5) 0.6612(2) 0.3182(4) 0.0514(16) Uani 1 1 d . . . . .
H1 H 0.7365 0.6644 0.3194 0.062 Uiso 1 1 calc R . . . .
C2 C 0.8399(5) 0.6066(3) 0.3081(4) 0.0548(17) Uani 1 1 d . . . . .
H2 H 0.8003 0.5742 0.3029 0.066 Uiso 1 1 calc R . . . .
C3 C 0.9380(5) 0.6022(3) 0.3061(3) 0.0534(17) Uani 1 1 d . . . . .
H3 H 0.9659 0.5667 0.2990 0.064 Uiso 1 1 calc R . . . .
C4 C 0.9938(5) 0.6516(3) 0.3147(3) 0.0493(15) Uani 1 1 d . . . . .
H4 H 1.0598 0.6494 0.3134 0.059 Uiso 1 1 calc R . . . .
C5 C 0.9516(4) 0.7044(2) 0.3254(2) 0.0300(10) Uani 1 1 d . . . . .
C6 C 1.0110(4) 0.7566(2) 0.3362(2) 0.0285(10) Uani 1 1 d . . . . .
C7 C 1.1121(4) 0.7591(2) 0.3455(2) 0.0345(11) Uani 1 1 d . . . . .
H7 H 1.1552 0.7285 0.3451 0.041 Uiso 1 1 calc R . . . .
C8 C 1.1334(4) 0.8166(2) 0.3551(2) 0.0331(10) Uani 1 1 d . . . . .
H8 H 1.1946 0.8328 0.3626 0.040 Uiso 1 1 calc R . . . .
C9 C 1.0360(3) 0.9069(2) 0.3582(2) 0.0289(10) Uani 1 1 d . . . . .
H9A H 1.0029 0.9222 0.3178 0.035 Uiso 1 1 calc R . . . .
H9B H 1.0985 0.9255 0.3667 0.035 Uiso 1 1 calc R . . . .
C10 C 0.9782(3) 0.92067(19) 0.4127(2) 0.0256(9) Uani 1 1 d . . . . .
C11 C 0.9762(3) 0.93095(19) 0.5222(2) 0.0247(9) Uani 1 1 d . . . . .
C12 C 1.0244(4) 0.9303(2) 0.5867(2) 0.0313(10) Uani 1 1 d . . . . .
H12 H 1.0900 0.9220 0.5945 0.038 Uiso 1 1 calc R . . . .
C13 C 0.9744(4) 0.9417(2) 0.6369(2) 0.0342(11) Uani 1 1 d . . . . .
H13 H 1.0063 0.9410 0.6792 0.041 Uiso 1 1 calc R . . . .
C14 C 0.8748(4) 0.9547(2) 0.6261(2) 0.0327(10) Uani 1 1 d . . . . .
H14 H 0.8420 0.9623 0.6612 0.039 Uiso 1 1 calc R . . . .
C15 C 0.8261(4) 0.9563(2) 0.5639(2) 0.0285(9) Uani 1 1 d . . . . .
H15 H 0.7607 0.9651 0.5570 0.034 Uiso 1 1 calc R . . . .
C16 C 0.8762(3) 0.94436(19) 0.5109(2) 0.0246(9) Uani 1 1 d . . . . .
C17 C 0.8775(3) 0.93455(18) 0.4016(2) 0.0238(9) Uani 1 1 d . . . . .
C18 C 0.8252(3) 0.9383(2) 0.3329(2) 0.0300(10) Uani 1 1 d . . . . .
H18A H 0.8328 0.9768 0.3161 0.036 Uiso 1 1 calc R . . . .
H18B H 0.8540 0.9112 0.3055 0.036 Uiso 1 1 calc R . . . .
C19 C 0.6487(4) 0.9616(2) 0.3315(2) 0.0328(10) Uani 1 1 d . . . . .
H19 H 0.6518 1.0017 0.3332 0.039 Uiso 1 1 calc R . . . .
C20 C 0.5667(4) 0.9282(2) 0.3296(2) 0.0319(10) Uani 1 1 d . . . . .
H20 H 0.5036 0.9409 0.3293 0.038 Uiso 1 1 calc R . . . .
C21 C 0.5993(3) 0.8707(2) 0.3282(2) 0.0257(9) Uani 1 1 d . . . . .
C22 C 0.5444(3) 0.8161(2) 0.3264(2) 0.0271(9) Uani 1 1 d . . . . .
C23 C 0.4440(3) 0.8168(2) 0.3138(2) 0.0319(10) Uani 1 1 d . . . . .
H23 H 0.4107 0.8514 0.3064 0.038 Uiso 1 1 calc R . . . .
C24 C 0.3952(4) 0.7649(2) 0.3126(2) 0.0358(11) Uani 1 1 d . . . . .
H24 H 0.3284 0.7639 0.3037 0.043 Uiso 1 1 calc R . . . .
C25 C 0.4478(4) 0.7140(2) 0.3248(2) 0.0341(11) Uani 1 1 d . . . . .
H25 H 0.4169 0.6784 0.3243 0.041 Uiso 1 1 calc R . . . .
C26 C 0.5464(4) 0.7179(2) 0.3375(3) 0.0382(12) Uani 1 1 d . . . . .
H26 H 0.5811 0.6840 0.3468 0.046 Uiso 1 1 calc R . . . .
Cl1 Cl 0.74512(13) 0.43977(8) 0.23381(9) 0.0246(3) Uiso 0.6 1 d D . P . .
Cl1A Cl 0.7751(2) 0.44139(12) 0.27150(16) 0.0327(6) Uani 0.4 1 d . . P . .
O1 O 0.8452(3) 0.4682(2) 0.2570(2) 0.0591(12) Uani 1 1 d D U . . .
O2 O 0.6742(4) 0.4706(2) 0.2516(2) 0.0757(16) Uani 1 1 d D . . . .
O3 O 0.7560(3) 0.38220(19) 0.2553(2) 0.0581(13) Uani 1 1 d D . . . .
O4 O 0.7328(4) 0.4385(3) 0.1649(3) 0.0786(16) Uani 1 1 d . . . . .
Cl2 Cl 0.24202(7) 0.60270(5) 0.24590(5) 0.0277(2) Uani 1 1 d . . . . .
O5 O 0.2479(4) 0.6046(3) 0.1760(2) 0.0747(16) Uani 1 1 d . . . . .
O6 O 0.1526(3) 0.57306(17) 0.2491(2) 0.0482(10) Uani 1 1 d . . . . .
O7 O 0.3222(3) 0.57029(19) 0.2728(3) 0.0629(14) Uani 1 1 d . . . . .
O8 O 0.2405(3) 0.6593(2) 0.2665(3) 0.0818(18) Uani 1 1 d . . . . .
C53 C 0.8772(8) 0.6316(3) 0.5091(4) 0.086(3) Uani 1 1 d . . . . .
H53A H 0.8410 0.6061 0.5331 0.129 Uiso 1 1 calc GR . . . .
H53B H 0.9418 0.6350 0.5310 0.129 Uiso 1 1 calc GR . . . .
H53C H 0.8788 0.6162 0.4663 0.129 Uiso 1 1 calc GR . . . .
C54 C 0.8294(7) 0.6913(3) 0.5040(3) 0.064(2) Uani 1 1 d . . . . .
C55 C 0.7343(7) 0.7017(3) 0.5099(3) 0.064(2) Uani 1 1 d . . . . .
H55 H 0.6955 0.6705 0.5177 0.077 Uiso 1 1 calc R . . . .
C56 C 0.6947(8) 0.7546(4) 0.5051(4) 0.076(2) Uani 1 1 d . . . . .
H56 H 0.6298 0.7590 0.5093 0.092 Uiso 1 1 calc R . . . .
C57 C 0.7475(7) 0.8018(4) 0.4941(3) 0.067(2) Uani 1 1 d . . . . .
H57 H 0.7199 0.8384 0.4906 0.080 Uiso 1 1 calc R . . . .
C58 C 0.8445(6) 0.7938(3) 0.4882(3) 0.0592(19) Uani 1 1 d . . . . .
H58 H 0.8811 0.8257 0.4797 0.071 Uiso 1 1 calc R . . . .
C59 C 0.8887(6) 0.7403(3) 0.4945(3) 0.0629(19) Uani 1 1 d . . . . .
C60 C 0.9959(7) 0.7312(4) 0.4935(4) 0.078(2) Uani 1 1 d . . . . .
H60A H 1.0257 0.7675 0.4858 0.117 Uiso 1 1 calc GR . . . .
H60B H 1.0054 0.7046 0.4594 0.117 Uiso 1 1 calc GR . . . .
H60C H 1.0245 0.7158 0.5345 0.117 Uiso 1 1 calc GR . . . .
C61 C 0.2292(12) 0.6794(7) 0.0201(8) 0.167(6) Uiso 1 1 d . U . . .
H61A H 0.2421 0.7191 0.0105 0.250 Uiso 1 1 calc GR . . . .
H61B H 0.2163 0.6763 0.0641 0.250 Uiso 1 1 calc GR . . . .
H61C H 0.1742 0.6662 -0.0087 0.250 Uiso 1 1 calc GR . . . .
C62 C 0.3137(10) 0.6437(7) 0.0112(5) 0.1182(18) Uani 1 1 d . U . . .
C63 C 0.3049(10) 0.5849(6) 0.0233(5) 0.1188(18) Uani 1 1 d . U . . .
H63 H 0.2473 0.5688 0.0322 0.143 Uiso 1 1 calc R . . . .
C64 C 0.3922(9) 0.5496(6) 0.0211(5) 0.1199(18) Uani 1 1 d D U . . .
H64 H 0.3926 0.5112 0.0346 0.144 Uiso 1 1 calc R . . . .
C65 C 0.4766(9) 0.5733(6) -0.0013(5) 0.1201(18) Uani 1 1 d D U . . .
H65 H 0.5279 0.5492 -0.0073 0.144 Uiso 1 1 calc R . . . .
C66 C 0.4819(10) 0.6316(6) -0.0140(5) 0.1190(18) Uani 1 1 d . U . . .
H66 H 0.5373 0.6473 -0.0271 0.143 Uiso 1 1 calc R . . . .
C67 C 0.3959(10) 0.6699(6) -0.0063(5) 0.1181(18) Uani 1 1 d . U . . .
C68 C 0.3968(13) 0.7358(7) -0.0180(4) 0.194(10) Uani 1 1 d . . . . .
H68A H 0.4622 0.7494 -0.0130 0.291 Uiso 1 1 calc GR . . . .
H68B H 0.3624 0.7549 0.0129 0.291 Uiso 1 1 calc GR . . . .
H68C H 0.3663 0.7441 -0.0612 0.291 Uiso 1 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 N9 2.609(4) . ?
Ag1 N10 2.200(4) . ?
Ag1 N16 2.198(4) . ?
N9 C48 1.348(6) . ?
N9 C52 1.338(7) . ?
N10 N11 1.340(6) . ?
N10 C47 1.335(6) . ?
N11 C44 1.449(6) . ?
N11 C45 1.334(7) . ?
N12 C41 1.370(6) . ?
N12 C43 1.303(6) . ?
N13 C36 1.316(6) . ?
N13 C37 1.374(6) . ?
N14 N15 1.359(6) . ?
N14 C34 1.345(7) . ?
N14 C35 1.457(6) . ?
N15 C32 1.341(6) . ?
N16 C27 1.330(8) . ?
N16 C31 1.344(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.384(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.374(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.380(8) . ?
C30 H30 0.9300 . ?
C30 C31 1.395(7) . ?
C31 C32 1.466(7) . ?
C32 C33 1.403(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.368(8) . ?
C34 H34 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.507(6) . ?
C36 C43 1.435(6) . ?
C37 C38 1.416(6) . ?
C37 C41 1.420(6) . ?
C38 H38 0.9300 . ?
C38 C39 1.361(7) . ?
C39 H39 0.9300 . ?
C39 C40 1.417(8) . ?
C40 H40 0.9300 . ?
C40 C42 1.376(7) . ?
C41 C42 1.404(6) . ?
C42 H42 0.9300 . ?
C43 C44 1.520(6) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45 0.9300 . ?
C45 C46 1.379(7) . ?
C46 H46 0.9300 . ?
C46 C47 1.401(7) . ?
C47 C48 1.470(7) . ?
C48 C49 1.386(7) . ?
C49 H49 0.9300 . ?
C49 C50 1.384(8) . ?
C50 H50 0.9300 . ?
C50 C51 1.387(8) . ?
C51 H51 0.9300 . ?
C51 C52 1.378(8) . ?
C52 H52 0.9300 . ?
Ag2 N1 2.194(4) . ?
Ag2 N7 2.193(4) . ?
N1 C1 1.330(7) . ?
N1 C5 1.348(7) . ?
N2 N3 1.364(5) . ?
N2 C6 1.335(6) . ?
N3 C8 1.344(7) . ?
N3 C9 1.447(6) . ?
N4 C10 1.318(6) . ?
N4 C11 1.365(6) . ?
N5 C16 1.370(6) . ?
N5 C17 1.307(6) . ?
N6 N7 1.344(5) . ?
N6 C18 1.453(6) . ?
N6 C19 1.338(6) . ?
N7 C21 1.335(6) . ?
N8 C22 1.339(7) . ?
N8 C26 1.337(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.394(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.383(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.381(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(7) . ?
C5 C6 1.465(7) . ?
C6 C7 1.405(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.371(7) . ?
C8 H8 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.512(6) . ?
C10 C17 1.434(6) . ?
C11 C12 1.417(6) . ?
C11 C16 1.422(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.360(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.415(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.411(6) . ?
C17 C18 1.517(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19 0.9300 . ?
C19 C20 1.380(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.408(7) . ?
C21 C22 1.477(6) . ?
C22 C23 1.395(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.379(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.393(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.373(8) . ?
C26 H26 0.9300 . ?
Cl1 Cl1A 0.839(3) . ?
Cl1 O1 1.564(5) . ?
Cl1 O2 1.315(5) . ?
Cl1 O3 1.407(5) . ?
Cl1 O4 1.420(6) . ?
Cl1A O1 1.231(5) . ?
Cl1A O2 1.571(6) . ?
Cl1A O3 1.427(5) . ?
Cl2 O5 1.466(5) . ?
Cl2 O6 1.436(4) . ?
Cl2 O7 1.402(4) . ?
Cl2 O8 1.379(5) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C53 C54 1.533(11) . ?
C54 C55 1.375(12) . ?
C54 C59 1.435(11) . ?
C55 H55 0.9300 . ?
C55 C56 1.342(12) . ?
C56 H56 0.9300 . ?
C56 C57 1.356(11) . ?
C57 H57 0.9300 . ?
C57 C58 1.392(12) . ?
C58 H58 0.9300 . ?
C58 C59 1.381(10) . ?
C59 C60 1.518(12) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C61 C62 1.474(19) . ?
C62 C63 1.392(17) . ?
C62 C67 1.393(15) . ?
C63 H63 0.9300 . ?
C63 C64 1.476(18) . ?
C64 H64 0.9300 . ?
C64 C65 1.437(12) . ?
C65 H65 0.9300 . ?
C65 C66 1.378(17) . ?
C66 H66 0.9300 . ?
C66 C67 1.521(18) . ?
C67 C68 1.545(19) . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 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
N10 Ag1 N9 69.61(14) . . ?
N16 Ag1 N9 111.22(15) . . ?
N16 Ag1 N10 169.82(16) . . ?
C48 N9 Ag1 110.3(3) . . ?
C52 N9 Ag1 132.8(3) . . ?
C52 N9 C48 116.8(4) . . ?
N11 N10 Ag1 130.6(3) . . ?
C47 N10 Ag1 122.1(3) . . ?
C47 N10 N11 106.8(4) . . ?
N10 N11 C44 119.9(4) . . ?
C45 N11 N10 111.0(4) . . ?
C45 N11 C44 129.1(4) . . ?
C43 N12 C41 117.6(4) . . ?
C36 N13 C37 117.1(4) . . ?
N15 N14 C35 120.7(4) . . ?
C34 N14 N15 112.2(4) . . ?
C34 N14 C35 127.1(4) . . ?
C32 N15 N14 104.2(4) . . ?
C27 N16 Ag1 116.8(4) . . ?
C27 N16 C31 117.9(5) . . ?
C31 N16 Ag1 125.2(4) . . ?
N16 C27 H27 117.7 . . ?
N16 C27 C28 124.6(6) . . ?
C28 C27 H27 117.7 . . ?
C27 C28 H28 121.4 . . ?
C29 C28 C27 117.2(6) . . ?
C29 C28 H28 121.4 . . ?
C28 C29 H29 120.3 . . ?
C28 C29 C30 119.3(5) . . ?
C30 C29 H29 120.3 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.8(5) . . ?
C31 C30 H30 120.1 . . ?
N16 C31 C30 120.9(5) . . ?
N16 C31 C32 119.2(4) . . ?
C30 C31 C32 119.9(4) . . ?
N15 C32 C31 122.4(4) . . ?
N15 C32 C33 111.4(4) . . ?
C33 C32 C31 126.2(5) . . ?
C32 C33 H33 127.6 . . ?
C34 C33 C32 104.9(5) . . ?
C34 C33 H33 127.6 . . ?
N14 C34 C33 107.3(5) . . ?
N14 C34 H34 126.3 . . ?
C33 C34 H34 126.3 . . ?
N14 C35 H35A 109.3 . . ?
N14 C35 H35B 109.3 . . ?
N14 C35 C36 111.8(4) . . ?
H35A C35 H35B 107.9 . . ?
C36 C35 H35A 109.3 . . ?
C36 C35 H35B 109.3 . . ?
N13 C36 C35 116.3(4) . . ?
N13 C36 C43 121.8(4) . . ?
C43 C36 C35 121.9(4) . . ?
N13 C37 C38 119.3(4) . . ?
N13 C37 C41 120.8(4) . . ?
C38 C37 C41 120.0(4) . . ?
C37 C38 H38 120.4 . . ?
C39 C38 C37 119.2(5) . . ?
C39 C38 H38 120.4 . . ?
C38 C39 H39 119.3 . . ?
C38 C39 C40 121.5(4) . . ?
C40 C39 H39 119.3 . . ?
C39 C40 H40 120.1 . . ?
C42 C40 C39 119.8(5) . . ?
C42 C40 H40 120.1 . . ?
N12 C41 C37 120.6(4) . . ?
N12 C41 C42 120.2(4) . . ?
C42 C41 C37 119.2(4) . . ?
C40 C42 C41 120.4(5) . . ?
C40 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
N12 C43 C36 122.1(4) . . ?
N12 C43 C44 117.7(4) . . ?
C36 C43 C44 120.2(4) . . ?
N11 C44 C43 111.5(4) . . ?
N11 C44 H44A 109.3 . . ?
N11 C44 H44B 109.3 . . ?
C43 C44 H44A 109.3 . . ?
C43 C44 H44B 109.3 . . ?
H44A C44 H44B 108.0 . . ?
N11 C45 H45 126.1 . . ?
N11 C45 C46 107.7(5) . . ?
C46 C45 H45 126.1 . . ?
C45 C46 H46 127.5 . . ?
C45 C46 C47 104.9(5) . . ?
C47 C46 H46 127.5 . . ?
N10 C47 C46 109.5(4) . . ?
N10 C47 C48 121.2(4) . . ?
C46 C47 C48 129.2(4) . . ?
N9 C48 C47 116.3(4) . . ?
N9 C48 C49 123.1(5) . . ?
C49 C48 C47 120.5(4) . . ?
C48 C49 H49 120.5 . . ?
C50 C49 C48 119.1(5) . . ?
C50 C49 H49 120.5 . . ?
C49 C50 H50 120.9 . . ?
C49 C50 C51 118.2(5) . . ?
C51 C50 H50 120.9 . . ?
C50 C51 H51 120.5 . . ?
C52 C51 C50 118.9(5) . . ?
C52 C51 H51 120.5 . . ?
N9 C52 C51 123.8(5) . . ?
N9 C52 H52 118.1 . . ?
C51 C52 H52 118.1 . . ?
N7 Ag2 N1 166.78(16) . . ?
C1 N1 Ag2 117.4(4) . . ?
C1 N1 C5 118.5(5) . . ?
C5 N1 Ag2 124.0(3) . . ?
C6 N2 N3 104.3(4) . . ?
N2 N3 C9 120.9(4) . . ?
C8 N3 N2 112.0(4) . . ?
C8 N3 C9 127.1(4) . . ?
C10 N4 C11 117.3(4) . . ?
C17 N5 C16 117.3(4) . . ?
N7 N6 C18 118.8(4) . . ?
C19 N6 N7 111.7(4) . . ?
C19 N6 C18 129.5(4) . . ?
N6 N7 Ag2 129.9(3) . . ?
C21 N7 Ag2 123.3(3) . . ?
C21 N7 N6 106.2(4) . . ?
C26 N8 C22 117.1(5) . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.6(6) . . ?
C2 C1 H1 118.2 . . ?
C1 C2 H2 121.1 . . ?
C3 C2 C1 117.8(5) . . ?
C3 C2 H2 121.1 . . ?
C2 C3 H3 120.6 . . ?
C4 C3 C2 118.8(5) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 121.0(5) . . ?
N1 C5 C6 118.7(4) . . ?
C4 C5 C6 120.4(5) . . ?
N2 C6 C5 121.9(4) . . ?
N2 C6 C7 111.5(4) . . ?
C7 C6 C5 126.6(5) . . ?
C6 C7 H7 127.6 . . ?
C8 C7 C6 104.8(5) . . ?
C8 C7 H7 127.6 . . ?
N3 C8 C7 107.4(4) . . ?
N3 C8 H8 126.3 . . ?
C7 C8 H8 126.3 . . ?
N3 C9 H9A 109.3 . . ?
N3 C9 H9B 109.3 . . ?
N3 C9 C10 111.6(4) . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
N4 C10 C9 115.8(4) . . ?
N4 C10 C17 121.6(4) . . ?
C17 C10 C9 122.6(4) . . ?
N4 C11 C12 119.7(4) . . ?
N4 C11 C16 120.8(4) . . ?
C12 C11 C16 119.5(4) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.7(5) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.1(4) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(5) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.3 . . ?
C14 C15 C16 119.4(5) . . ?
C16 C15 H15 120.3 . . ?
N5 C16 C11 120.7(4) . . ?
N5 C16 C15 119.6(4) . . ?
C15 C16 C11 119.7(4) . . ?
N5 C17 C10 122.2(4) . . ?
N5 C17 C18 117.5(4) . . ?
C10 C17 C18 120.3(4) . . ?
N6 C18 C17 111.8(4) . . ?
N6 C18 H18A 109.3 . . ?
N6 C18 H18B 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
N6 C19 H19 126.4 . . ?
N6 C19 C20 107.3(4) . . ?
C20 C19 H19 126.4 . . ?
C19 C20 H20 127.5 . . ?
C19 C20 C21 104.9(4) . . ?
C21 C20 H20 127.5 . . ?
N7 C21 C20 109.9(4) . . ?
N7 C21 C22 120.4(4) . . ?
C20 C21 C22 129.7(4) . . ?
N8 C22 C21 116.7(4) . . ?
N8 C22 C23 123.1(5) . . ?
C23 C22 C21 120.2(4) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 C22 118.5(5) . . ?
C24 C23 H23 120.7 . . ?
C23 C24 H24 120.5 . . ?
C23 C24 C25 118.9(5) . . ?
C25 C24 H24 120.5 . . ?
C24 C25 H25 120.9 . . ?
C26 C25 C24 118.2(5) . . ?
C26 C25 H25 120.9 . . ?
N8 C26 C25 124.2(5) . . ?
N8 C26 H26 117.9 . . ?
C25 C26 H26 117.9 . . ?
Cl1A Cl1 O1 51.5(3) . . ?
Cl1A Cl1 O2 90.9(3) . . ?
Cl1A Cl1 O3 74.1(3) . . ?
Cl1A Cl1 O4 157.1(4) . . ?
O2 Cl1 O1 111.3(4) . . ?
O2 Cl1 O3 118.6(4) . . ?
O2 Cl1 O4 107.5(4) . . ?
O3 Cl1 O1 104.2(3) . . ?
O3 Cl1 O4 107.1(3) . . ?
O4 Cl1 O1 107.6(3) . . ?
Cl1 Cl1A O1 96.3(4) . . ?
Cl1 Cl1A O2 56.8(3) . . ?
Cl1 Cl1A O3 71.5(3) . . ?
O1 Cl1A O2 115.9(4) . . ?
O1 Cl1A O3 123.8(4) . . ?
O3 Cl1A O2 102.6(3) . . ?
Cl1A O1 Cl1 32.21(19) . . ?
Cl1 O2 Cl1A 32.26(18) . . ?
Cl1 O3 Cl1A 34.42(17) . . ?
O6 Cl2 O5 103.1(3) . . ?
O7 Cl2 O5 105.2(3) . . ?
O7 Cl2 O6 112.4(3) . . ?
O8 Cl2 O5 106.5(4) . . ?
O8 Cl2 O6 112.9(3) . . ?
O8 Cl2 O7 115.4(3) . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
C55 C54 C53 124.8(8) . . ?
C55 C54 C59 117.4(7) . . ?
C59 C54 C53 117.8(8) . . ?
C54 C55 H55 118.4 . . ?
C56 C55 C54 123.2(8) . . ?
C56 C55 H55 118.4 . . ?
C55 C56 H56 119.4 . . ?
C55 C56 C57 121.2(10) . . ?
C57 C56 H56 119.4 . . ?
C56 C57 H57 121.1 . . ?
C56 C57 C58 117.9(9) . . ?
C58 C57 H57 121.1 . . ?
C57 C58 H58 118.6 . . ?
C59 C58 C57 122.8(7) . . ?
C59 C58 H58 118.6 . . ?
C54 C59 C60 119.0(7) . . ?
C58 C59 C54 117.4(8) . . ?
C58 C59 C60 123.7(7) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
C63 C62 C61 115.7(13) . . ?
C63 C62 C67 124.7(15) . . ?
C67 C62 C61 119.6(15) . . ?
C62 C63 H63 121.9 . . ?
C62 C63 C64 116.3(12) . . ?
C64 C63 H63 121.9 . . ?
C63 C64 H64 119.4 . . ?
C65 C64 C63 121.3(13) . . ?
C65 C64 H64 119.4 . . ?
C64 C65 H65 119.9 . . ?
C66 C65 C64 120.2(15) . . ?
C66 C65 H65 119.9 . . ?
C65 C66 H66 120.4 . . ?
C65 C66 C67 119.2(12) . . ?
C67 C66 H66 120.4 . . ?
C62 C67 C66 117.9(14) . . ?
C62 C67 C68 119.7(15) . . ?
C66 C67 C68 122.4(12) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
1 2 2 6.856
-5 3 7 21.663

_platon_squeeze_details          
;
TITL lin_a.res in P2(1)/c
CELL   13.9995   23.1335   20.7862     90.00     97.72     90.00
SPGR P21/c
# Solvent Accessible Volume =     603.0
# Electrons Found in S.A.V. =     150.3
# Note: Atoms in Void as Cxxx and Qxxx all others
Q101 0.780 0.442 0.278 !      10.74 eA-3
Q102 0.780 0.435 0.346 !       4.23 eA-3
C103 0.017 0.513 0.453 !       3.70 eA-3
C104 0.094 0.553 0.466 !       3.34 eA-3
Q105 0.269 0.935 0.285 !       3.33 eA-3
Q106 0.297 0.302 0.310 !       2.90 eA-3
C107 0.891 0.451 0.465 !       2.90 eA-3
C108 0.055 0.986 0.062 !       2.83 eA-3
C109 0.251 0.894 0.017 !       2.65 eA-3
C110 0.044 0.986 0.037 !       2.59 eA-3
Q111 0.191 0.286 0.190 !       2.57 eA-3
C112 0.810 0.412 0.436 !       2.42 eA-3
C113 0.846 0.083 0.077 !       2.29 eA-3
Q114 0.799 0.488 0.248 !       1.83 eA-3
Q115 0.755 0.113 0.173 !       1.76 eA-3
Q116 0.751 0.250 0.004 !       1.62 eA-3
Q117 0.738 0.159 0.284 !       1.54 eA-3
C118 0.219 0.631 0.470 !       1.42 eA-3
Q119 0.704 0.488 0.233 !       1.38 eA-3
C120 0.205 0.585 0.469 !       1.36 eA-3
Q121 0.778 0.392 0.236 !       1.34 eA-3
Q122 0.720 0.441 0.157 !       1.20 eA-3
Q123 0.674 0.231 0.011 !       1.09 eA-3
Q124 0.932 0.203 0.000 !       1.08 eA-3
Q125 0.468 0.228 0.499 !       1.07 eA-3
Q126 0.279 0.593 0.270 !       1.06 eA-3
Q127 0.723 0.394 0.250 !       1.04 eA-3
Q128 0.937 0.163 0.002 !       1.03 eA-3
Q129 0.982 0.126-0.005 !       1.01 eA-3
Q130 0.189 0.283 0.141 !       1.01 eA-3
Q131 0.826 0.066 0.300 !       0.97 eA-3
Q132 0.885 0.460 0.266 !       0.96 eA-3
Q133 0.667 0.080 0.263 !       0.96 eA-3
Q134 0.391 0.285 0.499 !       0.93 eA-3
Q135 0.405 0.316 0.020 !       0.92 eA-3
C136 0.139 0.964 0.092 !       0.92 eA-3
Q137 0.474 0.914 0.050 !       0.88 eA-3
Q138 0.360 0.204 0.316 !       0.87 eA-3
Q139 0.877 0.706 0.311 !       0.87 eA-3
Q140 0.140 0.048 0.388 !       0.85 eA-3
Q141 0.092 0.327 0.498 !       0.85 eA-3
Q142 0.858 0.166 0.002 !       0.83 eA-3
Q143 0.607 0.331-0.003 !       0.79 eA-3
Q144 0.138 0.759 0.343 !       0.77 eA-3
Q145 0.311 0.446 0.443 !       0.76 eA-3
Q146 0.596 0.275 0.017 !       0.76 eA-3
Q147 0.211 0.266 0.162 !       0.75 eA-3
Q148 0.373 0.433 0.425 !       0.75 eA-3
Q149 0.373 0.058 0.919 !       0.75 eA-3
C150 0.954 0.082 0.012 !       0.75 eA-3
C151 0.035 0.923 0.999 !       0.74 eA-3
Q152 0.437 0.115 0.500 !       0.74 eA-3
Q153 0.749 0.924 0.328 !       0.72 eA-3
Q154 0.580 0.560 0.485 !       0.71 eA-3
Q155 0.860 0.936 0.439 !       0.71 eA-3
Q156 0.299 0.642 0.020 !       0.68 eA-3
Q157 0.404 0.353 0.000 !       0.67 eA-3
Q158 0.313 0.289 0.375 !       0.67 eA-3
Q159 0.907 0.488 0.377 !       0.67 eA-3
Q160 0.516 0.372 0.009 !       0.67 eA-3
Q161 0.676 0.937 0.155 !       0.67 eA-3
Q162 0.199 0.588 0.233 !       0.66 eA-3
Q163 0.996 0.415 0.061 !       0.65 eA-3
Q164 0.158 0.943 0.188 !       0.65 eA-3
C165 0.852 0.128 0.048 !       0.64 eA-3
Q166 0.054 0.112 0.000 !       0.63 eA-3
C167 0.029 0.033 0.015 !       0.62 eA-3
Q168 0.363 0.042 0.096 !       0.62 eA-3
Q169 0.338 0.979 0.234 !       0.61 eA-3
C170 0.840 0.138 0.076 !       0.61 eA-3
Q171 0.240 0.899 0.483 !       0.60 eA-3
Q172 0.813 0.406 0.312 !       0.60 eA-3
Q173 0.013 0.286 0.155 !       0.60 eA-3
Q174 0.825 0.927 0.343 !       0.60 eA-3
Q175 0.252 0.172 0.247 !       0.60 eA-3
C176 0.813 0.290 0.501 !       0.59 eA-3
Q177 0.830 0.072 0.238 !       0.59 eA-3
Q178 0.748 0.115 0.329 !       0.58 eA-3
Q179 0.112 0.261 0.330 !       0.57 eA-3
Q180 0.911 0.563 0.016 !       0.57 eA-3
Q181 1.001 0.644 0.340 !       0.57 eA-3
Q182 0.358 0.953 0.394 !       0.56 eA-3
Q183 0.979 0.673 0.330 !       0.56 eA-3
Q184 0.247 0.022 0.252 !       0.56 eA-3
Q185 0.342 0.892 0.217 !       0.55 eA-3
Q186 0.619 0.766 0.328 !       0.55 eA-3
Q187 0.832 0.971 0.154 !       0.55 eA-3
Q188 0.155 0.892 0.279 !       0.54 eA-3
Q189 0.684 0.404 0.202 !       0.54 eA-3
Q190 0.578 0.351 0.364 !       0.53 eA-3
Q191 0.235 0.233 0.019 !       0.53 eA-3
Q192 0.308 0.587 0.027 !       0.52 eA-3
Q193 0.172 0.014 0.265 !       0.52 eA-3
Q194 0.335 0.131 0.323 !       0.52 eA-3
Q195 0.044 0.211 0.000 !       0.51 eA-3
Q196 0.133 0.789 0.360 !       0.51 eA-3
C197 0.860 0.042 0.064 !       0.51 eA-3
Q198 0.101 0.370 0.301 !       0.51 eA-3
Q199 0.578 0.603 0.192 !       0.51 eA-3
;
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 0.000 0.000 0.000 295 75 ' '
2 0.000 0.500 0.500 295 75 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.375
_oxdiff_exptl_absorpt_empirical_full_min 0.767
