#------------------------------------------------------------------------------
#$Date: 2021-01-08 05:13:00 +0200 (Fri, 08 Jan 2021) $
#$Revision: 260856 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/20/7242033.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7242033
loop_
_publ_author_name
'Lee, Soojin'
'Kim, Dongwon'
'Park, In-Hyeok'
'Jung, Ok-Sang'
_publ_section_title
;
 Unusual porous crystals via catenation of 1D ladders: unprecedented
 mixture effects on the adsorption of xylene isomers in a SCSC mode
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              40
_journal_page_last               46
_journal_paper_doi               10.1039/D0CE01458C
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C112 H108 Ag2 Cl2 N6 O34'
_chemical_formula_weight         2368.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-20 deposited with the CCDC.	2020-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                99.56(3)
_cell_angle_beta                 108.37(3)
_cell_angle_gamma                95.92(3)
_cell_formula_units_Z            1
_cell_length_a                   12.519(3)
_cell_length_b                   13.668(3)
_cell_length_c                   16.827(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.203
_cell_volume                     2657.1(12)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_refinement  SHELXL
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23894
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         1.509
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.480
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.917
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       plate
_exptl_crystal_F_000             1222
_exptl_crystal_size_max          0.057
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.023
_refine_diff_density_max         1.622
_refine_diff_density_min         -1.845
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         12072
_refine_ls_number_restraints     1827
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1015P)²+8.7675P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2060
_refine_ls_wR_factor_ref         0.2117
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10097
_reflns_number_total             12072
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01458c2.cif
_cod_data_source_block           SJ_a
_cod_original_cell_volume        2657.2(11)
_cod_database_code               7242033
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.973
_shelx_estimated_absorpt_t_max   0.989
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.97620(3) 0.95375(3) 0.71409(2) 0.04290(14) Uani 1 1 d . U . . .
O1 O 0.4940(2) 0.3641(2) 0.34170(17) 0.0264(6) Uani 1 1 d . U . . .
O2 O 0.0639(2) 0.4495(2) 0.41247(17) 0.0253(5) Uani 1 1 d . U . . .
O3 O 0.3501(3) 0.2749(2) 0.68317(17) 0.0291(6) Uani 1 1 d . U . . .
O4 O 0.7175(6) 0.2274(5) 0.9456(4) 0.099(2) Uani 1 1 d . U . . .
O5 O 0.7195(5) 0.1974(5) 0.7792(3) 0.0879(17) Uani 1 1 d . U . . .
O6 O 0.7489(3) 0.6604(2) 0.89818(19) 0.0345(6) Uani 1 1 d . U . . .
O7 O 0.9095(3) 0.6244(3) 0.8155(2) 0.0451(8) Uani 1 1 d . U . . .
O8 O 0.8647(3) 0.5062(3) 0.1936(2) 0.0434(8) Uani 1 1 d . U . . .
O9 O 0.8226(8) 0.5184(4) 0.0598(3) 0.124(3) Uani 1 1 d . U . . .
O10 O 0.4926(2) 0.1622(2) 1.04232(17) 0.0267(6) Uani 1 1 d . U . . .
O11 O 0.4427(3) 0.1228(2) 1.15228(19) 0.0327(6) Uani 1 1 d . U . . .
O12 O 0.3869(2) 0.8590(2) 0.45607(17) 0.0262(5) Uani 1 1 d . U . . .
O13 O 0.3673(3) 0.9012(3) 0.5851(2) 0.0382(7) Uani 1 1 d . U . . .
N1 N 0.7889(3) 0.9092(2) 0.6510(2) 0.0293(7) Uani 1 1 d . U . . .
N2 N 0.9757(3) 0.8717(3) 0.2315(3) 0.0378(8) Uani 1 1 d . U . . .
N3 N 0.8624(3) 0.1068(3) 1.2365(2) 0.0315(7) Uani 1 1 d . U . . .
C1 C 0.2532(3) 0.3701(3) 0.5287(2) 0.0248(7) Uani 1 1 d . U . . .
H1 H 0.192437 0.371068 0.551183 0.030 Uiso 1 1 calc R U . . .
C2 C 0.2309(3) 0.3657(3) 0.4420(2) 0.0229(7) Uani 1 1 d . U . . .
C3 C 0.3210(3) 0.3647(3) 0.4091(2) 0.0213(7) Uani 1 1 d . U . . .
H3 H 0.306027 0.362211 0.349817 0.026 Uiso 1 1 calc R U . . .
C4 C 0.4322(3) 0.3673(2) 0.4629(2) 0.0206(7) Uani 1 1 d . U . . .
C5 C 0.4530(3) 0.3722(3) 0.5503(2) 0.0230(7) Uani 1 1 d . U . . .
H5 H 0.528661 0.374998 0.587564 0.028 Uiso 1 1 calc R U . . .
C6 C 0.3642(3) 0.3730(3) 0.5832(2) 0.0239(7) Uani 1 1 d . U . . .
C7 C 0.3851(4) 0.3754(3) 0.6772(2) 0.0260(8) Uani 1 1 d . U . . .
H7A H 0.466962 0.398508 0.711043 0.031 Uiso 1 1 calc R U . . .
H7AB H 0.340108 0.421721 0.699106 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3570(3) 0.2595(3) 0.7627(2) 0.0249(7) Uani 1 1 d . U . . .
C9 C 0.3987(4) 0.3334(3) 0.8373(2) 0.0284(8) Uani 1 1 d . U . . .
H9 H 0.423399 0.400794 0.835488 0.034 Uiso 1 1 calc R U . . .
C10 C 0.4038(4) 0.3072(3) 0.9154(2) 0.0293(8) Uani 1 1 d . U . . .
H10 H 0.431911 0.357771 0.966480 0.035 Uiso 1 1 calc R U . . .
C11 C 0.3690(3) 0.2096(3) 0.9195(2) 0.0276(8) Uani 1 1 d . U . . .
C12 C 0.3265(4) 0.1371(3) 0.8437(3) 0.0303(8) Uani 1 1 d . U . . .
H12 H 0.301845 0.069657 0.845536 0.036 Uiso 1 1 calc R U . . .
C13 C 0.3196(4) 0.1611(3) 0.7658(2) 0.0298(8) Uani 1 1 d . U . . .
H13 H 0.289443 0.110774 0.714665 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3760(4) 0.1810(3) 1.0030(3) 0.0294(8) Uani 1 1 d . U . . .
H14A H 0.359210 0.236173 1.041074 0.035 Uiso 1 1 calc R U . . .
H14B H 0.319974 0.119821 0.993254 0.035 Uiso 1 1 calc R U . . .
C15 C 0.5132(4) 0.1372(3) 1.1189(2) 0.0265(7) Uani 1 1 d . U . . .
C16 C 0.6364(3) 0.1285(3) 1.1579(2) 0.0255(7) Uani 1 1 d . U . . .
C17 C 0.6752(4) 0.1190(3) 1.2432(2) 0.0275(8) Uani 1 1 d . U . . .
H17 H 0.625177 0.119483 1.275556 0.033 Uiso 1 1 calc R U . . .
C18 C 0.7885(4) 0.1090(3) 1.2798(3) 0.0318(8) Uani 1 1 d . U . . .
H18 H 0.815117 0.103371 1.338027 0.038 Uiso 1 1 calc R U . . .
C19 C 0.8238(4) 0.1181(3) 1.1544(3) 0.0307(8) Uani 1 1 d . U . . .
H19 H 0.875370 0.118009 1.123267 0.037 Uiso 1 1 calc R U . . .
C20 C 0.7122(4) 0.1298(3) 1.1136(3) 0.0303(8) Uani 1 1 d . U . . .
H20 H 0.688421 0.138640 1.056126 0.036 Uiso 1 1 calc R U . . .
C21 C 0.5327(3) 0.3680(3) 0.4316(2) 0.0220(7) Uani 1 1 d . U . . .
H21A H 0.588995 0.429930 0.461843 0.026 Uiso 1 1 calc R U . . .
H21B H 0.570345 0.309316 0.443927 0.026 Uiso 1 1 calc R U . . .
C22 C 0.5764(3) 0.3702(3) 0.3037(2) 0.0222(7) Uani 1 1 d . U . . .
C23 C 0.5376(3) 0.3711(3) 0.2166(2) 0.0257(7) Uani 1 1 d . U . . .
H23 H 0.458355 0.365836 0.186584 0.031 Uiso 1 1 calc R U . . .
C24 C 0.6153(3) 0.3796(3) 0.1740(2) 0.0271(8) Uani 1 1 d . U . . .
H24 H 0.588786 0.381200 0.114837 0.032 Uiso 1 1 calc R U . . .
C25 C 0.7322(3) 0.3860(3) 0.2167(3) 0.0280(8) Uani 1 1 d . U . . .
C26 C 0.7690(3) 0.3840(3) 0.3029(3) 0.0285(8) Uani 1 1 d . U . . .
H26 H 0.848239 0.388415 0.332722 0.034 Uiso 1 1 calc R U . . .
C27 C 0.6921(3) 0.3756(3) 0.3470(2) 0.0242(7) Uani 1 1 d . U . . .
H27 H 0.718692 0.373699 0.406137 0.029 Uiso 1 1 calc R U . . .
C28 C 0.8169(4) 0.3994(3) 0.1713(3) 0.0384(10) Uani 1 1 d . U . . .
H28A H 0.877998 0.359041 0.189977 0.046 Uiso 1 1 calc R U . . .
H28B H 0.778761 0.377247 0.108619 0.046 Uiso 1 1 calc R U . . .
C29 C 0.8572(5) 0.5556(4) 0.1332(3) 0.0409(10) Uani 1 1 d . U . . .
C30 C 0.8999(4) 0.6657(4) 0.1684(3) 0.0341(9) Uani 1 1 d . U . . .
C31 C 0.8964(5) 0.7306(4) 0.1124(3) 0.0466(12) Uani 1 1 d . U . . .
H31 H 0.867712 0.705863 0.052178 0.056 Uiso 1 1 calc R U . . .
C32 C 0.9359(5) 0.8322(4) 0.1468(3) 0.0498(12) Uani 1 1 d . U . . .
H32 H 0.934964 0.876296 0.108604 0.060 Uiso 1 1 calc R U . . .
C33 C 0.9771(4) 0.8079(4) 0.2840(3) 0.0351(9) Uani 1 1 d . U . . .
H33 H 1.004641 0.834556 0.343920 0.042 Uiso 1 1 calc R U . . .
C34 C 0.9408(4) 0.7056(3) 0.2557(3) 0.0333(9) Uani 1 1 d . U . . .
H34 H 0.943834 0.663165 0.295421 0.040 Uiso 1 1 calc R U . . .
C35 C 0.1108(3) 0.3640(3) 0.3847(2) 0.0247(7) Uani 1 1 d . U . . .
H35A H 0.110103 0.362883 0.325564 0.030 Uiso 1 1 calc R U . . .
H35B H 0.062053 0.301718 0.383822 0.030 Uiso 1 1 calc R U . . .
C36 C 0.1139(3) 0.5430(3) 0.4101(2) 0.0223(7) Uani 1 1 d . U . . .
C37 C 0.1819(3) 0.5592(3) 0.3603(2) 0.0245(7) Uani 1 1 d . U . . .
H37 H 0.196372 0.503894 0.325098 0.029 Uiso 1 1 calc R U . . .
C38 C 0.2284(3) 0.6571(3) 0.3628(2) 0.0240(7) Uani 1 1 d . U . . .
H38 H 0.274017 0.668098 0.328402 0.029 Uiso 1 1 calc R U . . .
C39 C 0.2092(3) 0.7396(3) 0.4150(2) 0.0243(7) Uani 1 1 d . U . . .
C40 C 0.1399(3) 0.7219(3) 0.4633(2) 0.0258(7) Uani 1 1 d . U . . .
H40 H 0.125257 0.777182 0.498535 0.031 Uiso 1 1 calc R U . . .
C41 C 0.0917(3) 0.6246(3) 0.4609(2) 0.0244(7) Uani 1 1 d . U . . .
H41 H 0.043844 0.613732 0.493652 0.029 Uiso 1 1 calc R U . . .
C42 C 0.2616(3) 0.8439(3) 0.4159(3) 0.0275(8) Uani 1 1 d . U . . .
H42A H 0.241796 0.854420 0.356509 0.033 Uiso 1 1 calc R U . . .
H42B H 0.230376 0.893916 0.448161 0.033 Uiso 1 1 calc R U . . .
C43 C 0.4256(3) 0.8857(3) 0.5412(2) 0.0270(8) Uani 1 1 d . U . . .
C44 C 0.5532(3) 0.8926(3) 0.5771(3) 0.0255(7) Uani 1 1 d . U . . .
C45 C 0.6047(4) 0.9087(3) 0.6653(3) 0.0311(8) Uani 1 1 d . U . . .
H45 H 0.560015 0.914028 0.701669 0.037 Uiso 1 1 calc R U . . .
C46 C 0.7223(4) 0.9169(3) 0.6994(3) 0.0331(9) Uani 1 1 d . U . . .
H46 H 0.757092 0.928537 0.759884 0.040 Uiso 1 1 calc R U . . .
C47 C 0.7383(3) 0.8906(3) 0.5655(3) 0.0285(8) Uani 1 1 d . U . . .
H47 H 0.784673 0.882861 0.530530 0.034 Uiso 1 1 calc R U . . .
C48 C 0.6212(3) 0.8821(3) 0.5262(3) 0.0261(7) Uani 1 1 d . U . . .
H48 H 0.588366 0.869293 0.465522 0.031 Uiso 1 1 calc R U . . .
C49 C 0.7605(4) 0.5605(4) 0.8647(3) 0.0389(10) Uani 1 1 d . U . . .
H49A H 0.706102 0.537420 0.805491 0.047 Uiso 1 1 calc R U . . .
H49B H 0.741874 0.514663 0.899946 0.047 Uiso 1 1 calc R U . . .
C50 C 0.8804(5) 0.5567(4) 0.8647(3) 0.0462(11) Uani 1 1 d . U . . .
H50A H 0.934534 0.575448 0.924212 0.055 Uiso 1 1 calc R U . . .
H50B H 0.886303 0.487358 0.839860 0.055 Uiso 1 1 calc R U . . .
C51 C 0.8987(4) 0.7246(4) 0.8502(3) 0.0448(11) Uani 1 1 d . U . . .
H51A H 0.917709 0.770975 0.815440 0.054 Uiso 1 1 calc R U . . .
H51B H 0.953270 0.746818 0.909405 0.054 Uiso 1 1 calc R U . . .
C52 C 0.7802(4) 0.7290(3) 0.8506(3) 0.0352(9) Uani 1 1 d . U . . .
H52A H 0.775413 0.798286 0.876477 0.042 Uiso 1 1 calc R U . . .
H52B H 0.726206 0.711980 0.790989 0.042 Uiso 1 1 calc R U . . .
C53 C 0.6210(6) 0.1668(7) 0.7951(6) 0.081(2) Uani 1 1 d . U . . .
H53A H 0.575441 0.107371 0.750554 0.097 Uiso 1 1 calc R U . . .
H53B H 0.574646 0.221421 0.792259 0.097 Uiso 1 1 calc R U . . .
C55 C 0.8155(7) 0.2593(7) 0.9304(5) 0.083(2) Uani 1 1 d . U . . .
H55A H 0.867529 0.209376 0.941056 0.100 Uiso 1 1 calc R U . . .
H55B H 0.854818 0.324079 0.970132 0.100 Uiso 1 1 calc R U . . .
C56 C 0.6475(9) 0.1411(7) 0.8802(6) 0.100(3) Uani 1 1 d . U . . .
H56A H 0.575877 0.121765 0.891123 0.120 Uiso 1 1 calc R U . . .
H56B H 0.689024 0.083142 0.881983 0.120 Uiso 1 1 calc R U . . .
C54 C 0.7890(8) 0.2720(8) 0.8409(5) 0.095(3) Uani 1 1 d . U . . .
H54 H 0.820313 0.331248 0.827990 0.114 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9664(2) 0.98733(17) 0.97789(14) 0.0410(5) Uani 0.5 1 d . U P A -1
O14 O 0.8645(8) 0.9633(8) 0.9942(6) 0.067(2) Uani 0.5 1 d . U P A -1
O15 O 0.9424(6) 0.9707(5) 0.8874(4) 0.0398(14) Uani 0.5 1 d . U P A -1
O16 O 1.0493(13) 0.9274(13) 1.0143(8) 0.091(4) Uani 0.5 1 d . U P A -1
O17 O 1.0143(15) 1.0892(8) 1.0150(8) 0.092(4) Uani 0.5 1 d . U P A -1
Cl3 Cl 1.000000 1.000000 0.500000 0.0628(6) Uani 1 2 d S U P . .
O18 O 0.9597(7) 1.0188(6) 0.5643(5) 0.0515(18) Uani 0.5 1 d . U P A .
O19 O 1.0944(8) 0.9618(7) 0.5058(7) 0.063(2) Uani 0.5 1 d . U P A .
O20 O 0.8934(13) 0.9284(15) 0.4309(10) 0.141(5) Uani 0.5 1 d . U P A .
O21 O 0.9954(12) 1.0817(12) 0.4553(9) 0.110(4) Uani 0.5 1 d . U P A .
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'
N N 0.0064 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1472 0.1563 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9157 1.0899 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Ag01 N3 143.22(13) . 2_767 ?
N1 Ag01 N2 110.57(13) . 2_776 ?
N3 Ag01 N2 105.33(13) 2_767 2_776 ?
N1 Ag01 O18 82.6(2) . . ?
N3 Ag01 O18 111.5(2) 2_767 . ?
N2 Ag01 O18 80.38(19) 2_776 . ?
N1 Ag01 O21 89.7(3) . 2_776 ?
N3 Ag01 O21 87.6(2) 2_767 2_776 ?
N2 Ag01 O21 106.5(3) 2_776 2_776 ?
O18 Ag01 O21 31.5(3) . 2_776 ?
N1 Ag01 O15 88.85(16) . . ?
N3 Ag01 O15 90.70(17) 2_767 . ?
N2 Ag01 O15 78.44(16) 2_776 . ?
O18 Ag01 O15 152.7(2) . . ?
O21 Ag01 O15 175.0(3) 2_776 . ?
C22 O1 C21 116.7(3) . . ?
C36 O2 C35 117.7(3) . . ?
C8 O3 C7 116.8(3) . . ?
C55 O4 C56 111.5(6) . . ?
C54 O5 C53 112.3(6) . . ?
C49 O6 C52 110.6(3) . . ?
C50 O7 C51 109.8(4) . . ?
C29 O8 C28 119.4(4) . . ?
C15 O10 C14 114.7(3) . . ?
C43 O12 C42 115.1(3) . . ?
C46 N1 C47 117.9(4) . . ?
C46 N1 Ag01 118.7(3) . . ?
C47 N1 Ag01 122.5(3) . . ?
C33 N2 C32 117.1(4) . . ?
C33 N2 Ag01 120.6(3) . 2_776 ?
C32 N2 Ag01 122.0(3) . 2_776 ?
C18 N3 C19 117.5(4) . . ?
C18 N3 Ag01 120.0(3) . 2_767 ?
C19 N3 Ag01 120.5(3) . 2_767 ?
C2 C1 C6 120.4(4) . . ?
C1 C2 C3 119.6(3) . . ?
C1 C2 C35 119.4(3) . . ?
C3 C2 C35 121.0(3) . . ?
C4 C3 C2 120.6(3) . . ?
C3 C4 C5 119.0(3) . . ?
C3 C4 C21 123.0(3) . . ?
C5 C4 C21 118.0(3) . . ?
C6 C5 C4 120.8(3) . . ?
C5 C6 C1 119.7(3) . . ?
C5 C6 C7 121.3(3) . . ?
C1 C6 C7 119.0(4) . . ?
O3 C7 C6 106.3(3) . . ?
O3 C8 C9 124.8(3) . . ?
O3 C8 C13 115.2(3) . . ?
C9 C8 C13 120.0(4) . . ?
C8 C9 C10 119.1(4) . . ?
C11 C10 C9 121.4(4) . . ?
C10 C11 C12 118.4(4) . . ?
C10 C11 C14 121.5(4) . . ?
C12 C11 C14 120.1(4) . . ?
C13 C12 C11 121.4(4) . . ?
C12 C13 C8 119.7(4) . . ?
O10 C14 C11 107.4(3) . . ?
O11 C15 O10 124.9(4) . . ?
O11 C15 C16 123.9(4) . . ?
O10 C15 C16 111.2(3) . . ?
C20 C16 C17 119.1(4) . . ?
C20 C16 C15 123.1(3) . . ?
C17 C16 C15 117.9(3) . . ?
C18 C17 C16 118.5(4) . . ?
N3 C18 C17 123.1(4) . . ?
N3 C19 C20 122.9(4) . . ?
C16 C20 C19 118.9(4) . . ?
O1 C21 C4 109.3(3) . . ?
O1 C22 C27 123.9(3) . . ?
O1 C22 C23 116.0(3) . . ?
C27 C22 C23 120.1(4) . . ?
C24 C23 C22 119.6(4) . . ?
C23 C24 C25 121.1(4) . . ?
C26 C25 C24 118.5(4) . . ?
C26 C25 C28 120.4(4) . . ?
C24 C25 C28 121.1(4) . . ?
C25 C26 C27 121.3(4) . . ?
C22 C27 C26 119.4(4) . . ?
O8 C28 C25 106.9(4) . . ?
O9 C29 O8 124.2(5) . . ?
O9 C29 C30 124.1(5) . . ?
O8 C29 C30 111.7(4) . . ?
C34 C30 C31 118.7(4) . . ?
C34 C30 C29 121.8(4) . . ?
C31 C30 C29 119.5(4) . . ?
C32 C31 C30 118.3(5) . . ?
N2 C32 C31 123.5(5) . . ?
N2 C33 C34 123.5(4) . . ?
C33 C34 C30 118.9(4) . . ?
O2 C35 C2 112.2(3) . . ?
O2 C36 C37 124.1(3) . . ?
O2 C36 C41 115.8(3) . . ?
C37 C36 C41 120.1(3) . . ?
C38 C37 C36 119.4(3) . . ?
C37 C38 C39 121.2(3) . . ?
C40 C39 C38 118.5(3) . . ?
C40 C39 C42 122.1(4) . . ?
C38 C39 C42 119.4(3) . . ?
C41 C40 C39 121.0(4) . . ?
C40 C41 C36 119.8(3) . . ?
O12 C42 C39 110.6(3) . . ?
O13 C43 O12 125.1(4) . . ?
O13 C43 C44 123.2(4) . . ?
O12 C43 C44 111.6(3) . . ?
C45 C44 C48 118.6(4) . . ?
C45 C44 C43 118.3(4) . . ?
C48 C44 C43 123.1(4) . . ?
C44 C45 C46 119.0(4) . . ?
N1 C46 C45 122.9(4) . . ?
N1 C47 C48 122.9(4) . . ?
C44 C48 C47 118.7(4) . . ?
O6 C49 C50 110.8(4) . . ?
O7 C50 C49 110.1(4) . . ?
O7 C51 C52 110.9(4) . . ?
O6 C52 C51 110.8(4) . . ?
O5 C53 C56 111.1(7) . . ?
O4 C55 C54 110.7(7) . . ?
O4 C56 C53 109.5(7) . . ?
O5 C54 C55 117.4(7) . . ?
O14 Cl1 O17 109.9(8) . . ?
O14 Cl1 O15 109.1(5) . . ?
O17 Cl1 O15 109.3(6) . . ?
O14 Cl1 O16 111.3(8) . . ?
O17 Cl1 O16 107.6(7) . . ?
O15 Cl1 O16 109.6(7) . . ?
Cl1 O15 Ag01 161.1(4) . . ?
O19 Cl3 O19 180.0(3) . 2_776 ?
O19 Cl3 O18 56.1(6) . 2_776 ?
O19 Cl3 O18 123.9(6) 2_776 2_776 ?
O19 Cl3 O18 123.9(6) . . ?
O19 Cl3 O18 56.1(6) 2_776 . ?
O18 Cl3 O18 180.0 2_776 . ?
O19 Cl3 O21 110.4(6) . . ?
O19 Cl3 O21 69.6(6) 2_776 . ?
O18 Cl3 O21 68.4(6) 2_776 . ?
O18 Cl3 O21 111.6(6) . . ?
O19 Cl3 O21 69.6(6) . 2_776 ?
O19 Cl3 O21 110.4(6) 2_776 2_776 ?
O18 Cl3 O21 111.6(6) 2_776 2_776 ?
O18 Cl3 O21 68.4(6) . 2_776 ?
O21 Cl3 O21 180.0(8) . 2_776 ?
O19 Cl3 O20 69.0(8) . 2_776 ?
O19 Cl3 O20 111.0(8) 2_776 2_776 ?
O18 Cl3 O20 99.8(7) 2_776 2_776 ?
O18 Cl3 O20 80.2(7) . 2_776 ?
O21 Cl3 O20 83.9(11) . 2_776 ?
O21 Cl3 O20 96.1(11) 2_776 2_776 ?
O19 Cl3 O20 111.0(8) . . ?
O19 Cl3 O20 69.0(8) 2_776 . ?
O18 Cl3 O20 80.2(7) 2_776 . ?
O18 Cl3 O20 99.8(7) . . ?
O21 Cl3 O20 96.1(11) . . ?
O21 Cl3 O20 83.9(11) 2_776 . ?
O20 Cl3 O20 180.0 2_776 . ?
O19 O18 Cl3 61.7(5) 2_776 . ?
O19 O18 O21 107.4(8) 2_776 2_776 ?
Cl3 O18 O21 59.2(5) . 2_776 ?
O19 O18 Ag01 153.4(6) 2_776 . ?
Cl3 O18 Ag01 137.8(6) . . ?
O21 O18 Ag01 80.8(5) 2_776 . ?
O18 O19 Cl3 62.2(6) 2_776 . ?
O18 O19 O21 107.7(9) 2_776 2_776 ?
Cl3 O19 O21 58.7(5) . 2_776 ?
O18 O19 O20 99.2(10) 2_776 2_776 ?
Cl3 O19 O20 62.6(7) . 2_776 ?
O21 O19 O20 87.7(10) 2_776 2_776 ?
Cl3 O20 O19 48.4(5) . 2_776 ?
Cl3 O21 O18 52.4(5) . 2_776 ?
Cl3 O21 O19 51.6(5) . 2_776 ?
O18 O21 O19 96.3(9) 2_776 2_776 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 N1 2.217(4) . ?
Ag01 N3 2.230(4) 2_767 ?
Ag01 N2 2.351(4) 2_776 ?
Ag01 O18 2.765(7) . ?
Ag01 O21 2.950(13) 2_776 ?
Ag01 O15 3.051(6) . ?
O1 C22 1.376(5) . ?
O1 C21 1.426(4) . ?
O2 C36 1.376(4) . ?
O2 C35 1.435(5) . ?
O3 C8 1.367(4) . ?
O3 C7 1.429(4) . ?
O4 C55 1.374(10) . ?
O4 C56 1.456(11) . ?
O5 C54 1.331(10) . ?
O5 C53 1.381(9) . ?
O6 C49 1.428(6) . ?
O6 C52 1.431(5) . ?
O7 C50 1.431(7) . ?
O7 C51 1.434(6) . ?
O8 C29 1.296(6) . ?
O8 C28 1.458(5) . ?
O9 C29 1.174(6) . ?
O10 C15 1.341(4) . ?
O10 C14 1.469(5) . ?
O11 C15 1.204(5) . ?
O12 C43 1.331(5) . ?
O12 C42 1.476(5) . ?
O13 C43 1.202(5) . ?
N1 C46 1.337(6) . ?
N1 C47 1.344(5) . ?
N2 C33 1.337(6) . ?
N2 C32 1.345(7) . ?
N3 C18 1.345(6) . ?
N3 C19 1.354(6) . ?
C1 C2 1.387(5) . ?
C1 C6 1.396(6) . ?
C2 C3 1.404(5) . ?
C2 C35 1.504(5) . ?
C3 C4 1.394(5) . ?
C4 C5 1.399(5) . ?
C4 C21 1.508(5) . ?
C5 C6 1.390(6) . ?
C6 C7 1.514(5) . ?
C8 C9 1.387(5) . ?
C8 C13 1.393(5) . ?
C9 C10 1.401(5) . ?
C10 C11 1.381(6) . ?
C11 C12 1.391(6) . ?
C11 C14 1.498(5) . ?
C12 C13 1.382(5) . ?
C15 C16 1.499(6) . ?
C16 C20 1.381(6) . ?
C16 C17 1.395(5) . ?
C17 C18 1.389(6) . ?
C19 C20 1.388(6) . ?
C22 C27 1.389(5) . ?
C22 C23 1.395(5) . ?
C23 C24 1.384(6) . ?
C24 C25 1.398(6) . ?
C25 C26 1.384(6) . ?
C25 C28 1.502(6) . ?
C26 C27 1.395(6) . ?
C29 C30 1.496(7) . ?
C30 C34 1.385(6) . ?
C30 C31 1.392(6) . ?
C31 C32 1.385(8) . ?
C33 C34 1.378(7) . ?
C36 C37 1.395(5) . ?
C36 C41 1.396(5) . ?
C37 C38 1.391(5) . ?
C38 C39 1.401(5) . ?
C39 C40 1.393(6) . ?
C39 C42 1.502(5) . ?
C40 C41 1.391(5) . ?
C43 C44 1.505(6) . ?
C44 C45 1.387(6) . ?
C44 C48 1.388(6) . ?
C45 C46 1.387(6) . ?
C47 C48 1.388(6) . ?
C49 C50 1.507(7) . ?
C51 C52 1.493(7) . ?
C53 C56 1.474(13) . ?
C55 C54 1.480(11) . ?
Cl1 O14 1.405(10) . ?
Cl1 O17 1.411(10) . ?
Cl1 O15 1.430(7) . ?
Cl1 O16 1.437(13) . ?
Cl3 O19 1.323(8) . ?
Cl3 O19 1.323(8) 2_776 ?
Cl3 O18 1.330(7) 2_776 ?
Cl3 O18 1.330(7) . ?
Cl3 O21 1.442(11) . ?
Cl3 O21 1.442(11) 2_776 ?
Cl3 O20 1.570(13) 2_776 ?
Cl3 O20 1.570(13) . ?
O18 O19 1.248(12) 2_776 ?
O18 O21 1.561(16) 2_776 ?
O19 O21 1.582(14) 2_776 ?
O19 O20 1.652(18) 2_776 ?
