# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_mfu125-2a
_database_code_depnum_ccdc_archive 'CCDC 1523067'
_audit_update_record             
;
2017-01-07 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C33 H24 Ag B F4 N2 O2.5'
_chemical_formula_moiety         'C33 H24 Ag B F4 N2 O2.5'
_chemical_formula_weight         683.24
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   8.8907(14)
_cell_length_b                   21.2650(3)
_cell_length_c                   14.9550(2)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.8760(5)
_cell_angle_gamma                90.0000
_cell_volume                     2827.0728(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5169
_cell_measurement_theta_min      3.30
_cell_measurement_theta_max      27.40
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376.00
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_T_max  0.977

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            45788
_diffrn_reflns_av_R_equivalents  0.1043
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         3.181
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             6453
_reflns_number_gt                4615
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.1020
_refine_ls_wR_factor_gt          0.0867
_refine_ls_number_restraints     62
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_reflns         6453
_refine_ls_number_parameters     490
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0329P)²+6.4127P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.42
_refine_diff_density_min         -1.90
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.23143(3) 0.22429(2) 0.23331(2) 0.01357(9) Uani 1 1 d . . . . .
F1 F 1.0663(3) 0.25202(10) -0.11533(15) 0.0203(5) Uani 1 1 d . . . . .
F2 F 1.1808(3) 0.26442(12) 0.02246(16) 0.0312(6) Uani 1 1 d . . . . .
F3 F 1.0023(3) 0.18939(11) 0.00149(16) 0.0288(6) Uani 1 1 d . . . . .
F4 F 1.2291(3) 0.17700(14) -0.06367(18) 0.0422(7) Uani 1 1 d . . . . .
O1 O 0.7508(3) 0.36187(13) -0.04939(19) 0.0239(7) Uani 1 1 d . . . . .
O2 O -0.0562(8) 0.5078(3) 0.4095(5) 0.0347(15) Uani 0.5 1 d . U P . .
O3 O -0.0223(3) 0.20189(13) 0.1814(2) 0.0184(6) Uani 1 1 d . . . . .
N1 N 0.3293(4) 0.32068(13) 0.24166(19) 0.0111(6) Uani 1 1 d . . . . .
N2 N 0.6711(4) 0.62556(13) 0.2636(2) 0.0120(7) Uani 1 1 d . . . . .
C1 C 0.0058(5) 0.41510(17) 0.1744(2) 0.0137(8) Uani 1 1 d . . . . .
H1 H -0.089(5) 0.4105(18) 0.160(3) 0.009(10) Uiso 1 1 d . . . . .
C2 C 0.0932(4) 0.36445(18) 0.1945(2) 0.0125(8) Uani 1 1 d . . . . .
H2 H 0.055(5) 0.325(2) 0.196(3) 0.020(11) Uiso 1 1 d . . . . .
C3 C 0.2462(4) 0.37208(16) 0.2205(2) 0.0113(7) Uani 1 1 d . . . . .
C4 C 0.3082(4) 0.43466(16) 0.2253(2) 0.0101(7) Uani 1 1 d . . . . .
C5 C 0.2119(4) 0.48662(16) 0.2024(2) 0.0122(8) Uani 1 1 d . . . . .
H5 H 0.254(5) 0.529(2) 0.204(3) 0.021(11) Uiso 1 1 d . . . . .
C6 C 0.0667(5) 0.47719(17) 0.1784(3) 0.0142(8) Uani 1 1 d . . . . .
H6 H 0.014(6) 0.514(2) 0.166(3) 0.029(13) Uiso 1 1 d . . . . .
C7 C 0.4589(4) 0.44192(16) 0.2524(2) 0.0103(7) Uani 1 1 d . . . . .
C8 C 0.5444(4) 0.38884(16) 0.2766(2) 0.0094(7) Uani 1 1 d . . . . .
C9 C 0.6968(4) 0.39267(17) 0.3075(2) 0.0124(8) Uani 1 1 d . . . . .
H9 H 0.746(4) 0.4323(18) 0.311(2) 0.007(9) Uiso 1 1 d . . . . .
C10 C 0.7742(5) 0.33964(18) 0.3314(3) 0.0147(8) Uani 1 1 d . . . . .
H10 H 0.866(6) 0.345(2) 0.354(3) 0.024(12) Uiso 1 1 d . . . . .
C11 C 0.7042(4) 0.27956(17) 0.3269(2) 0.0142(8) Uani 1 1 d . . . . .
H11 H 0.764(5) 0.2445(18) 0.344(3) 0.011(10) Uiso 1 1 d . . . . .
C12 C 0.5599(4) 0.27400(18) 0.2969(2) 0.0138(7) Uani 1 1 d . . . . .
H12 H 0.512(5) 0.233(2) 0.298(3) 0.017(11) Uiso 1 1 d . . . . .
C13 C 0.4734(4) 0.32793(16) 0.2704(2) 0.0101(7) Uani 1 1 d . . . . .
C14 C 0.5298(4) 0.50560(16) 0.2558(2) 0.0093(7) Uani 1 1 d . . . . .
C15 C 0.6223(4) 0.52584(16) 0.1859(2) 0.0098(7) Uani 1 1 d . . . . .
C16 C 0.6917(4) 0.58690(15) 0.1925(2) 0.0097(7) Uani 1 1 d . . . . .
C17 C 0.5041(4) 0.54635(16) 0.3285(2) 0.0113(7) Uani 1 1 d . . . . .
C18 C 0.5776(4) 0.60676(16) 0.3296(2) 0.0126(8) Uani 1 1 d . . . . .
C19 C 0.5504(5) 0.64839(17) 0.4022(3) 0.0167(8) Uani 1 1 d . . . . .
H19 H 0.602(5) 0.6874(19) 0.404(3) 0.014(10) Uiso 1 1 d . . . . .
C20 C 0.4530(5) 0.63200(19) 0.4676(3) 0.0191(9) Uani 1 1 d . . . . .
H20 H 0.439(5) 0.6574(19) 0.514(3) 0.015(11) Uiso 1 1 d . . . . .
C21 C 0.3781(5) 0.57298(18) 0.4659(3) 0.0174(8) Uani 1 1 d . . . . .
H21 H 0.312(5) 0.5650(19) 0.510(3) 0.018(11) Uiso 1 1 d . . . . .
C22 C 0.4045(5) 0.53118(18) 0.3993(3) 0.0146(8) Uani 1 1 d . . . . .
H22 H 0.361(5) 0.495(2) 0.399(3) 0.019(11) Uiso 1 1 d . . . . .
C23 C 0.7786(4) 0.60918(17) 0.1198(2) 0.0134(8) Uani 1 1 d . . . . .
H23 H 0.822(4) 0.6481(18) 0.126(2) 0.007(9) Uiso 1 1 d . . . . .
C24 C 0.7955(5) 0.57343(18) 0.0449(3) 0.0171(8) Uani 1 1 d . . . . .
H24 H 0.852(6) 0.590(2) -0.009(3) 0.030(13) Uiso 1 1 d . . . . .
C25 C 0.7304(5) 0.51262(17) 0.0388(3) 0.0153(8) Uani 1 1 d . . . . .
H25 H 0.744(5) 0.4881(17) -0.014(3) 0.010(10) Uiso 1 1 d . . . . .
C26 C 0.6464(4) 0.48964(17) 0.1071(2) 0.0127(8) Uani 1 1 d . . . . .
H26 H 0.596(5) 0.4495(19) 0.102(3) 0.012(10) Uiso 1 1 d . . . . .
C27 C 0.5978(5) 0.3600(2) -0.0429(3) 0.0245(10) Uani 1 1 d . . . . .
H27 H 0.549(6) 0.385(2) -0.079(3) 0.035(14) Uiso 1 1 d . . . . .
C28 C 0.5551(5) 0.3220(2) 0.0235(3) 0.0242(10) Uani 1 1 d . . . . .
H28 H 0.452(7) 0.312(2) 0.034(3) 0.044(15) Uiso 1 1 d . . . . .
C29 C 0.6905(5) 0.2983(2) 0.0623(3) 0.0264(10) Uani 1 1 d . . . . .
H29 H 0.697(7) 0.271(3) 0.109(4) 0.051(17) Uiso 1 1 d . . . . .
C30 C 0.8045(6) 0.32299(19) 0.0169(3) 0.0240(9) Uani 1 1 d . . . . .
H30 H 0.906(6) 0.318(2) 0.017(3) 0.040(15) Uiso 1 1 d . . . . .
C31 C 0.0370(14) 0.4583(5) 0.4440(11) 0.0306(13) Uani 0.5 1 d . U P . .
C32 C 0.0310 0.4704 0.5232 0.0306(13) Uani 0.5 1 d . U P . .
C33 C -0.0201(15) 0.5232(5) 0.5604(10) 0.0306(13) Uani 0.5 1 d . U P . .
C34 C -0.0888(11) 0.5447(4) 0.4769(7) 0.0306(13) Uani 0.5 1 d . U P . .
C35 C -0.0987(6) 0.1478(2) 0.2155(3) 0.0233(9) Uani 1 1 d . . . . .
B1 B 1.1236(6) 0.2214(2) -0.0393(3) 0.0219(10) Uani 1 1 d . . . . .
H3 H -0.025(5) 0.2020(19) 0.132(3) 0.011(12) Uiso 1 1 d . . . . .
H35A H -0.050(5) 0.110(2) 0.203(3) 0.025(12) Uiso 1 1 d . . . . .
H35B H -0.191(6) 0.1459(19) 0.199(3) 0.015(12) Uiso 1 1 d . . . . .
H35C H -0.098(5) 0.1479(18) 0.285(3) 0.013(10) Uiso 1 1 d . . . . .


#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_molecular_graphics    'CrystalStructure 4.2.2'

#==============================================================================
# MOLECULAR GEOMETRY

_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 N1 2.230(3) . ?
Ag1 N2 2.271(3) 2_645 ?
Ag1 O3 2.422(3) . ?
F1 B1 1.399(5) . ?
F2 B1 1.391(5) . ?
F3 B1 1.421(5) . ?
F4 B1 1.383(5) . ?
O1 C27 1.367(6) . ?
O1 C30 1.371(5) . ?
O2 C33 1.043(14) 3_566 ?
O2 C32 1.127(7) 3_566 ?
O2 C34 1.312(12) . ?
O2 C31 1.432(13) . ?
O3 C35 1.434(5) . ?
O3 H3 0.73(4) . ?
N1 C13 1.353(5) . ?
N1 C3 1.354(5) . ?
N2 C16 1.359(5) . ?
N2 C18 1.360(5) . ?
N2 Ag1 2.271(3) 2_655 ?
C1 C2 1.359(5) . ?
C1 C6 1.428(5) . ?
C1 H1 0.87(4) . ?
C2 C3 1.419(6) . ?
C2 H2 0.91(4) . ?
C3 C4 1.442(5) . ?
C4 C7 1.402(5) . ?
C4 C5 1.436(5) . ?
C5 C6 1.350(6) . ?
C5 H5 0.97(4) . ?
C6 H6 0.93(5) . ?
C7 C8 1.405(5) . ?
C7 C14 1.495(5) . ?
C8 C9 1.427(5) . ?
C8 C13 1.443(5) . ?
C9 C10 1.366(5) . ?
C9 H9 0.95(4) . ?
C10 C11 1.422(5) . ?
C10 H10 0.89(5) . ?
C11 C12 1.358(6) . ?
C11 H11 0.95(4) . ?
C12 C13 1.433(5) . ?
C12 H12 0.97(4) . ?
C14 C15 1.407(5) . ?
C14 C17 1.412(5) . ?
C15 C26 1.426(5) . ?
C15 C16 1.440(5) . ?
C16 C23 1.424(5) . ?
C17 C22 1.428(5) . ?
C17 C18 1.441(5) . ?
C18 C19 1.424(5) . ?
C19 C20 1.363(6) . ?
C19 H19 0.95(4) . ?
C20 C21 1.421(6) . ?
C20 H20 0.89(4) . ?
C21 C22 1.358(5) . ?
C21 H21 0.91(4) . ?
C22 H22 0.86(4) . ?
C23 C24 1.365(5) . ?
C23 H23 0.92(4) . ?
C24 C25 1.419(5) . ?
C24 H24 1.02(5) . ?
C25 C26 1.365(5) . ?
C25 H25 0.96(4) . ?
C26 H26 0.97(4) . ?
C27 C28 1.339(6) . ?
C27 H27 0.87(5) . ?
C28 C29 1.422(7) . ?
C28 H28 0.95(6) . ?
C29 C30 1.335(7) . ?
C29 H29 0.90(6) . ?
C30 H30 0.91(6) . ?
C31 C33 0.427(16) 3_566 ?
C31 C32 1.214(16) . ?
C31 C34 1.264(17) 3_566 ?
C31 C32 1.707(12) 3_566 ?
C32 C34 0.606(10) 3_566 ?
C32 O2 1.128(7) 3_566 ?
C32 C33 1.260(15) 3_566 ?
C32 C33 1.336(13) . ?
C32 C32 1.5360 3_566 ?
C32 C31 1.708(12) 3_566 ?
C32 C34 2.021(10) . ?
C33 C31 0.427(16) 3_566 ?
C33 O2 1.043(14) 3_566 ?
C33 C32 1.260(15) 3_566 ?
C33 C34 1.46(2) . ?
C33 C34 1.830(14) 3_566 ?
C34 C32 0.606(10) 3_566 ?
C34 C31 1.264(17) 3_566 ?
C34 C33 1.829(14) 3_566 ?
C35 H35A 0.94(5) . ?
C35 H35B 0.86(5) . ?
C35 H35C 1.04(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 Ag1 N2 134.44(11) . 2_645 ?
N1 Ag1 O3 124.03(11) . . ?
N2 Ag1 O3 100.24(10) 2_645 . ?
C27 O1 C30 105.4(3) . . ?
C33 O2 C32 75.8(9) 3_566 3_566 ?
C33 O2 C34 101.3(11) 3_566 . ?
C32 O2 C34 27.4(5) 3_566 . ?
C33 O2 C31 8.3(12) 3_566 . ?
C32 O2 C31 82.8(8) 3_566 . ?
C34 O2 C31 107.2(9) . . ?
C35 O3 Ag1 119.2(3) . . ?
C35 O3 H3 111(3) . . ?
Ag1 O3 H3 109(4) . . ?
C13 N1 C3 119.5(3) . . ?
C13 N1 Ag1 119.3(2) . . ?
C3 N1 Ag1 121.2(3) . . ?
C16 N2 C18 118.8(3) . . ?
C16 N2 Ag1 121.3(2) . 2_655 ?
C18 N2 Ag1 119.6(2) . 2_655 ?
C2 C1 C6 120.6(4) . . ?
C2 C1 H1 121(3) . . ?
C6 C1 H1 119(3) . . ?
C1 C2 C3 120.8(3) . . ?
C1 C2 H2 122(3) . . ?
C3 C2 H2 117(3) . . ?
N1 C3 C2 119.3(3) . . ?
N1 C3 C4 121.8(4) . . ?
C2 C3 C4 118.9(3) . . ?
C7 C4 C5 123.2(3) . . ?
C7 C4 C3 118.6(3) . . ?
C5 C4 C3 118.2(3) . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5 121(3) . . ?
C4 C5 H5 118(3) . . ?
C5 C6 C1 120.6(4) . . ?
C5 C6 H6 114(3) . . ?
C1 C6 H6 126(3) . . ?
C4 C7 C8 119.8(3) . . ?
C4 C7 C14 120.7(3) . . ?
C8 C7 C14 119.5(3) . . ?
C7 C8 C9 123.0(3) . . ?
C7 C8 C13 118.0(3) . . ?
C9 C8 C13 119.0(3) . . ?
C10 C9 C8 120.6(4) . . ?
C10 C9 H9 119(2) . . ?
C8 C9 H9 120(2) . . ?
C9 C10 C11 120.7(4) . . ?
C9 C10 H10 117(3) . . ?
C11 C10 H10 122(3) . . ?
C12 C11 C10 120.3(4) . . ?
C12 C11 H11 123(2) . . ?
C10 C11 H11 117(2) . . ?
C11 C12 C13 121.5(4) . . ?
C11 C12 H12 119(3) . . ?
C13 C12 H12 119(3) . . ?
N1 C13 C12 119.9(3) . . ?
N1 C13 C8 122.3(3) . . ?
C12 C13 C8 117.9(3) . . ?
C15 C14 C17 119.2(3) . . ?
C15 C14 C7 120.2(3) . . ?
C17 C14 C7 120.6(3) . . ?
C14 C15 C26 123.1(3) . . ?
C14 C15 C16 118.6(3) . . ?
C26 C15 C16 118.3(3) . . ?
N2 C16 C23 118.5(3) . . ?
N2 C16 C15 122.4(3) . . ?
C23 C16 C15 119.0(3) . . ?
C14 C17 C22 122.8(3) . . ?
C14 C17 C18 118.5(3) . . ?
C22 C17 C18 118.6(3) . . ?
N2 C18 C19 118.9(3) . . ?
N2 C18 C17 122.4(3) . . ?
C19 C18 C17 118.7(3) . . ?
C20 C19 C18 120.4(4) . . ?
C20 C19 H19 121(2) . . ?
C18 C19 H19 119(2) . . ?
C19 C20 C21 121.0(4) . . ?
C19 C20 H20 120(3) . . ?
C21 C20 H20 119(3) . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21 122(3) . . ?
C20 C21 H21 117(3) . . ?
C21 C22 C17 120.8(4) . . ?
C21 C22 H22 120(3) . . ?
C17 C22 H22 119(3) . . ?
C24 C23 C16 120.6(3) . . ?
C24 C23 H23 122(2) . . ?
C16 C23 H23 117(2) . . ?
C23 C24 C25 120.7(3) . . ?
C23 C24 H24 122(3) . . ?
C25 C24 H24 118(3) . . ?
C26 C25 C24 120.4(3) . . ?
C26 C25 H25 120(2) . . ?
C24 C25 H25 119(2) . . ?
C25 C26 C15 121.0(3) . . ?
C25 C26 H26 121(2) . . ?
C15 C26 H26 118(2) . . ?
C28 C27 O1 111.4(4) . . ?
C28 C27 H27 134(3) . . ?
O1 C27 H27 115(3) . . ?
C27 C28 C29 105.6(4) . . ?
C27 C28 H28 123(3) . . ?
C29 C28 H28 132(3) . . ?
C30 C29 C28 107.3(4) . . ?
C30 C29 H29 127(4) . . ?
C28 C29 H29 126(4) . . ?
C29 C30 O1 110.3(4) . . ?
C29 C30 H30 135(3) . . ?
O1 C30 H30 114(3) . . ?
C33 C31 C32 86(4) 3_566 . ?
C33 C31 C34 108(4) 3_566 3_566 ?
C32 C31 C34 28.2(6) . 3_566 ?
C33 C31 O2 21(3) 3_566 . ?
C32 C31 O2 99.3(9) . . ?
C34 C31 O2 125.1(11) 3_566 . ?
C33 C31 C32 26(3) 3_566 3_566 ?
C32 C31 C32 60.7(5) . 3_566 ?
C34 C31 C32 84.3(9) 3_566 3_566 ?
O2 C31 C32 40.9(4) . 3_566 ?
C34 C32 O2 93.5(11) 3_566 3_566 ?
C34 C32 C31 80.5(12) 3_566 . ?
O2 C32 C31 161.3(6) 3_566 . ?
C34 C32 C33 96.2(12) 3_566 3_566 ?
O2 C32 C33 148.5(6) 3_566 3_566 ?
C31 C32 C33 19.8(7) . 3_566 ?
C34 C32 C33 137.7(12) 3_566 . ?
O2 C32 C33 49.2(7) 3_566 . ?
C31 C32 C33 127.2(8) . . ?
C33 C32 C33 107.5(8) 3_566 . ?
C34 C32 C32 137.0(9) 3_566 3_566 ?
O2 C32 C32 97.6(4) 3_566 3_566 ?
C31 C32 C32 75.8(5) . 3_566 ?
C33 C32 C32 56.0(5) 3_566 3_566 ?
C33 C32 C32 51.5(6) . 3_566 ?
C34 C32 C31 140.8(10) 3_566 3_566 ?
O2 C32 C31 56.3(6) 3_566 3_566 ?
C31 C32 C31 119.3(5) . 3_566 ?
C33 C32 C31 99.6(6) 3_566 3_566 ?
C33 C32 C31 7.9(10) . 3_566 ?
C32 C32 C31 43.5(5) 3_566 3_566 ?
C34 C32 C34 148.8(7) 3_566 . ?
O2 C32 C34 94.7(5) 3_566 . ?
C31 C32 C34 82.1(6) . . ?
C33 C32 C34 62.8(6) 3_566 . ?
C33 C32 C34 46.0(8) . . ?
C32 C32 C34 11.8(3) 3_566 . ?
C31 C32 C34 38.5(5) 3_566 . ?
C31 C33 O2 151(4) 3_566 3_566 ?
C31 C33 C32 74(4) 3_566 3_566 ?
O2 C33 C32 122.4(13) 3_566 3_566 ?
C31 C33 C32 146(4) 3_566 . ?
O2 C33 C32 54.9(7) 3_566 . ?
C32 C33 C32 72.5(8) 3_566 . ?
C31 C33 C34 56(4) 3_566 . ?
O2 C33 C34 146.1(14) 3_566 . ?
C32 C33 C34 24.4(5) 3_566 . ?
C32 C33 C34 92.7(10) . . ?
C31 C33 C34 150(4) 3_566 3_566 ?
O2 C33 C34 44.7(7) 3_566 3_566 ?
C32 C33 C34 79.4(7) 3_566 3_566 ?
C32 C33 C34 12.9(4) . 3_566 ?
C34 C33 C34 101.7(9) . 3_566 ?
C32 C34 C31 71.3(12) 3_566 3_566 ?
C32 C34 O2 59.0(9) 3_566 . ?
C31 C34 O2 127.4(9) 3_566 . ?
C32 C34 C33 59.4(10) 3_566 . ?
C31 C34 C33 16.2(8) 3_566 . ?
O2 C34 C33 112.1(9) . . ?
C32 C34 C33 29.4(9) 3_566 3_566 ?
C31 C34 C33 93.4(8) 3_566 3_566 ?
O2 C34 C33 34.0(6) . 3_566 ?
C33 C34 C33 78.3(9) . 3_566 ?
C32 C34 C32 31.2(7) 3_566 . ?
C31 C34 C32 57.2(6) 3_566 . ?
O2 C34 C32 71.1(5) . . ?
C33 C34 C32 41.3(6) . . ?
C33 C34 C32 37.8(5) 3_566 . ?
O3 C35 H35A 114(3) . . ?
O3 C35 H35B 113(3) . . ?
H35A C35 H35B 110(4) . . ?
O3 C35 H35C 111(2) . . ?
H35A C35 H35C 102(4) . . ?
H35B C35 H35C 106(4) . . ?
F4 B1 F2 112.4(4) . . ?
F4 B1 F1 110.1(3) . . ?
F2 B1 F1 111.0(4) . . ?
F4 B1 F3 108.0(4) . . ?
F2 B1 F3 107.6(3) . . ?
F1 B1 F3 107.6(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
C6 C1 C2 C3 0.5(5) . . . . ?
C13 N1 C3 C2 -177.0(3) . . . . ?
Ag1 N1 C3 C2 1.4(4) . . . . ?
C13 N1 C3 C4 1.8(5) . . . . ?
Ag1 N1 C3 C4 -179.8(2) . . . . ?
C1 C2 C3 N1 178.7(3) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
N1 C3 C4 C7 0.2(5) . . . . ?
C2 C3 C4 C7 179.0(3) . . . . ?
N1 C3 C4 C5 -179.4(3) . . . . ?
C2 C3 C4 C5 -0.6(5) . . . . ?
C7 C4 C5 C6 -178.7(3) . . . . ?
C3 C4 C5 C6 0.9(5) . . . . ?
C4 C5 C6 C1 -0.5(6) . . . . ?
C2 C1 C6 C5 -0.2(6) . . . . ?
C5 C4 C7 C8 177.8(3) . . . . ?
C3 C4 C7 C8 -1.8(5) . . . . ?
C5 C4 C7 C14 -2.2(5) . . . . ?
C3 C4 C7 C14 178.2(3) . . . . ?
C4 C7 C8 C9 -178.1(3) . . . . ?
C14 C7 C8 C9 2.0(5) . . . . ?
C4 C7 C8 C13 1.5(5) . . . . ?
C14 C7 C8 C13 -178.5(3) . . . . ?
C7 C8 C9 C10 179.0(3) . . . . ?
C13 C8 C9 C10 -0.5(5) . . . . ?
C8 C9 C10 C11 -0.6(5) . . . . ?
C9 C10 C11 C12 1.4(6) . . . . ?
C10 C11 C12 C13 -1.1(5) . . . . ?
C3 N1 C13 C12 177.1(3) . . . . ?
Ag1 N1 C13 C12 -1.4(4) . . . . ?
C3 N1 C13 C8 -2.1(5) . . . . ?
Ag1 N1 C13 C8 179.4(2) . . . . ?
C11 C12 C13 N1 -179.3(3) . . . . ?
C11 C12 C13 C8 0.0(5) . . . . ?
C7 C8 C13 N1 0.5(5) . . . . ?
C9 C8 C13 N1 -180.0(3) . . . . ?
C7 C8 C13 C12 -178.8(3) . . . . ?
C9 C8 C13 C12 0.8(5) . . . . ?
C4 C7 C14 C15 -99.9(4) . . . . ?
C8 C7 C14 C15 80.0(4) . . . . ?
C4 C7 C14 C17 79.5(4) . . . . ?
C8 C7 C14 C17 -100.6(4) . . . . ?
C17 C14 C15 C26 -175.6(4) . . . . ?
C7 C14 C15 C26 3.8(5) . . . . ?
C17 C14 C15 C16 2.0(5) . . . . ?
C7 C14 C15 C16 -178.6(3) . . . . ?
C18 N2 C16 C23 174.3(3) . . . . ?
Ag1 N2 C16 C23 1.2(5) 2_655 . . . ?
C18 N2 C16 C15 -2.3(5) . . . . ?
Ag1 N2 C16 C15 -175.5(3) 2_655 . . . ?
C14 C15 C16 N2 0.0(5) . . . . ?
C26 C15 C16 N2 177.8(3) . . . . ?
C14 C15 C16 C23 -176.6(3) . . . . ?
C26 C15 C16 C23 1.2(5) . . . . ?
C15 C14 C17 C22 175.9(4) . . . . ?
C7 C14 C17 C22 -3.5(5) . . . . ?
C15 C14 C17 C18 -1.8(5) . . . . ?
C7 C14 C17 C18 178.7(3) . . . . ?
C16 N2 C18 C19 -177.1(3) . . . . ?
Ag1 N2 C18 C19 -3.8(5) 2_655 . . . ?
C16 N2 C18 C17 2.5(5) . . . . ?
Ag1 N2 C18 C17 175.8(3) 2_655 . . . ?
C14 C17 C18 N2 -0.4(6) . . . . ?
C22 C17 C18 N2 -178.3(4) . . . . ?
C14 C17 C18 C19 179.2(4) . . . . ?
C22 C17 C18 C19 1.3(5) . . . . ?
N2 C18 C19 C20 177.5(4) . . . . ?
C17 C18 C19 C20 -2.1(6) . . . . ?
C18 C19 C20 C21 0.9(6) . . . . ?
C19 C20 C21 C22 1.1(7) . . . . ?
C20 C21 C22 C17 -1.9(6) . . . . ?
C14 C17 C22 C21 -177.1(4) . . . . ?
C18 C17 C22 C21 0.7(6) . . . . ?
N2 C16 C23 C24 -176.4(4) . . . . ?
C15 C16 C23 C24 0.3(6) . . . . ?
C16 C23 C24 C25 -1.8(6) . . . . ?
C23 C24 C25 C26 1.7(6) . . . . ?
C24 C25 C26 C15 -0.2(6) . . . . ?
C14 C15 C26 C25 176.4(4) . . . . ?
C16 C15 C26 C25 -1.3(6) . . . . ?
C30 O1 C27 C28 -0.1(4) . . . . ?
O1 C27 C28 C29 0.3(5) . . . . ?
C27 C28 C29 C30 -0.3(5) . . . . ?
C28 C29 C30 O1 0.2(5) . . . . ?
C27 O1 C30 C29 0.0(4) . . . . ?
C32 O2 C31 C33 -32(8) 3_566 . . 3_566 ?
C34 O2 C31 C33 -45(9) . . . 3_566 ?
C33 O2 C31 C32 51(8) 3_566 . . . ?
C32 O2 C31 C32 18.8(6) 3_566 . . . ?
C34 O2 C31 C32 6.2(9) . . . . ?
C33 O2 C31 C34 39(8) 3_566 . . 3_566 ?
C32 O2 C31 C34 6.2(11) 3_566 . . 3_566 ?
C34 O2 C31 C34 -6.4(15) . . . 3_566 ?
C33 O2 C31 C32 32(8) 3_566 . . 3_566 ?
C34 O2 C31 C32 -12.6(5) . . . 3_566 ?
C33 C31 C32 C34 -142(3) 3_566 . . 3_566 ?
O2 C31 C32 C34 -157.8(11) . . . 3_566 ?
C32 C31 C32 C34 -143.8(9) 3_566 . . 3_566 ?
C33 C31 C32 O2 -69(4) 3_566 . . 3_566 ?
C34 C31 C32 O2 73(2) 3_566 . . 3_566 ?
O2 C31 C32 O2 -85(2) . . . 3_566 ?
C32 C31 C32 O2 -71(2) 3_566 . . 3_566 ?
C34 C31 C32 C33 142(3) 3_566 . . 3_566 ?
O2 C31 C32 C33 -16(3) . . . 3_566 ?
C32 C31 C32 C33 -2(3) 3_566 . . 3_566 ?
C33 C31 C32 C33 3(4) 3_566 . . . ?
C34 C31 C32 C33 144.6(13) 3_566 . . . ?
O2 C31 C32 C33 -13.3(15) . . . . ?
C32 C31 C32 C33 0.8(12) 3_566 . . . ?
C33 C31 C32 C32 2(3) 3_566 . . 3_566 ?
C34 C31 C32 C32 143.8(9) 3_566 . . 3_566 ?
O2 C31 C32 C32 -14.0(5) . . . 3_566 ?
C33 C31 C32 C31 2(3) 3_566 . . 3_566 ?
C34 C31 C32 C31 143.8(9) 3_566 . . 3_566 ?
O2 C31 C32 C31 -14.0(5) . . . 3_566 ?
C32 C31 C32 C31 -0.002(1) 3_566 . . 3_566 ?
C33 C31 C32 C34 12(3) 3_566 . . . ?
C34 C31 C32 C34 153.9(6) 3_566 . . . ?
O2 C31 C32 C34 -3.9(6) . . . . ?
C32 C31 C32 C34 10.2(3) 3_566 . . . ?
C34 C32 C33 C31 117(7) 3_566 . . 3_566 ?
O2 C32 C33 C31 151(7) 3_566 . . 3_566 ?
C31 C32 C33 C31 -5(8) . . . 3_566 ?
C33 C32 C33 C31 -4(6) 3_566 . . 3_566 ?
C32 C32 C33 C31 -4(6) 3_566 . . 3_566 ?
C34 C32 C33 C31 -18(6) . . . 3_566 ?
C34 C32 C33 O2 -34.4(18) 3_566 . . 3_566 ?
C31 C32 C33 O2 -156.2(9) . . . 3_566 ?
C33 C32 C33 O2 -155.3(10) 3_566 . . 3_566 ?
C32 C32 C33 O2 -155.3(10) 3_566 . . 3_566 ?
C31 C32 C33 O2 -151(7) 3_566 . . 3_566 ?
C34 C32 C33 O2 -169.2(11) . . . 3_566 ?
C34 C32 C33 C32 120.9(15) 3_566 . . 3_566 ?
O2 C32 C33 C32 155.3(10) 3_566 . . 3_566 ?
C31 C32 C33 C32 -1.0(14) . . . 3_566 ?
C33 C32 C33 C32 -0.001(1) 3_566 . . 3_566 ?
C31 C32 C33 C32 4(6) 3_566 . . 3_566 ?
C34 C32 C33 C32 -13.9(4) . . . 3_566 ?
C34 C32 C33 C34 134.8(13) 3_566 . . . ?
O2 C32 C33 C34 169.2(11) 3_566 . . . ?
C31 C32 C33 C34 13.0(16) . . . . ?
C33 C32 C33 C34 13.9(4) 3_566 . . . ?
C32 C32 C33 C34 13.9(4) 3_566 . . . ?
C31 C32 C33 C34 18(6) 3_566 . . . ?
O2 C32 C33 C34 34.4(18) 3_566 . . 3_566 ?
C31 C32 C33 C34 -121.8(19) . . . 3_566 ?
C33 C32 C33 C34 -120.9(15) 3_566 . . 3_566 ?
C32 C32 C33 C34 -120.9(15) 3_566 . . 3_566 ?
C31 C32 C33 C34 -117(7) 3_566 . . 3_566 ?
C34 C32 C33 C34 -134.8(13) . . . 3_566 ?
C33 O2 C34 C32 22.1(11) 3_566 . . 3_566 ?
C31 O2 C34 C32 28.1(10) . . . 3_566 ?
C33 O2 C34 C31 0.7(12) 3_566 . . 3_566 ?
C32 O2 C34 C31 -21.5(8) 3_566 . . 3_566 ?
C31 O2 C34 C31 6.6(15) . . . 3_566 ?
C33 O2 C34 C33 -5.6(15) 3_566 . . . ?
C32 O2 C34 C33 -27.7(7) 3_566 . . . ?
C31 O2 C34 C33 0.4(9) . . . . ?
C32 O2 C34 C33 -22.1(11) 3_566 . . 3_566 ?
C31 O2 C34 C33 6.0(10) . . . 3_566 ?
C33 O2 C34 C32 -9.8(8) 3_566 . . . ?
C32 O2 C34 C32 -32.0(6) 3_566 . . . ?
C31 O2 C34 C32 -3.9(6) . . . . ?
C31 C33 C34 C32 134(4) 3_566 . . 3_566 ?
O2 C33 C34 C32 -18(2) 3_566 . . 3_566 ?
C32 C33 C34 C32 -33.7(9) . . . 3_566 ?
C34 C33 C34 C32 -24.4(7) 3_566 . . 3_566 ?
O2 C33 C34 C31 -152(5) 3_566 . . 3_566 ?
C32 C33 C34 C31 -134(4) 3_566 . . 3_566 ?
C32 C33 C34 C31 -168(4) . . . 3_566 ?
C34 C33 C34 C31 -159(4) 3_566 . . 3_566 ?
C31 C33 C34 O2 162(3) 3_566 . . . ?
O2 C33 C34 O2 10(3) 3_566 . . . ?
C32 C33 C34 O2 27.6(7) 3_566 . . . ?
C32 C33 C34 O2 -6.1(10) . . . . ?
C34 C33 C34 O2 3.2(9) 3_566 . . . ?
C31 C33 C34 C33 159(4) 3_566 . . 3_566 ?
O2 C33 C34 C33 6.6(17) 3_566 . . 3_566 ?
C32 C33 C34 C33 24.4(7) 3_566 . . 3_566 ?
C32 C33 C34 C33 -9.3(3) . . . 3_566 ?
C34 C33 C34 C33 0.000(1) 3_566 . . 3_566 ?
C31 C33 C34 C32 168(4) 3_566 . . . ?
O2 C33 C34 C32 15.9(16) 3_566 . . . ?
C32 C33 C34 C32 33.7(9) 3_566 . . . ?
C34 C33 C34 C32 9.3(3) 3_566 . . . ?

#==============================================================================
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O3 H3 F3 . . 1_455 2.716(4) 0.73(4) 2.00(4) 168(5) no

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


####################################################################### 
# 
# 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_mfu141-3c
_database_code_depnum_ccdc_archive 'CCDC 1523071'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C8 H4 Ag F3 N O2'
_chemical_formula_moiety         'C8 H4 Ag F3 N O2'
_chemical_formula_weight         310.99
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
_space_group_IT_number           15
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   24.235(8)
_cell_length_b                   5.8077(10)
_cell_length_c                   16.177(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 131.062(7)
_cell_angle_gamma                90.0000
_cell_volume                     1716.8(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3038
_cell_measurement_theta_min      3.70
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.070
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192.00
_exptl_absorpt_coefficient_mu    2.367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_T_max  0.847

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            13350
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_theta_max         27.453
_diffrn_reflns_theta_min         3.341
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             1962
_reflns_number_gt                1826
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0169
_refine_ls_R_factor_gt           0.0154
_refine_ls_wR_factor_ref         0.0424
_refine_ls_wR_factor_gt          0.0421
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         1962
_refine_ls_number_parameters     136
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0243P)²+1.7739P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.48
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.32170(2) 0.29224(2) 0.31083(2) 0.01434(6) Uani 1 8 d . . .
F1 F 0.33770(8) 1.1294(2) 0.14082(12) 0.0345(3) Uani 1 8 d . . .
F2 F 0.32773(7) 0.8110(2) 0.06322(9) 0.0231(2) Uani 1 8 d . . .
F3 F 0.41870(6) 0.8660(2) 0.23524(10) 0.0279(3) Uani 1 8 d . . .
O1 O 0.30893(7) 0.5817(2) 0.19439(11) 0.0190(3) Uani 1 8 d . . .
O2 O 0.26622(6) 0.9298(2) 0.19074(10) 0.0141(2) Uani 1 8 d . . .
N1 N 0.43140(7) 0.1105(3) 0.42544(11) 0.0116(3) Uani 1 8 d . . .
C1 C 0.43978(9) -0.0777(3) 0.48163(13) 0.0114(3) Uani 1 8 d . . .
C2 C 0.37893(9) -0.1675(3) 0.46659(14) 0.0138(3) Uani 1 8 d . . .
C3 C 0.38742(9) -0.3569(3) 0.52360(14) 0.0148(3) Uani 1 8 d . . .
C4 C 0.45700(9) -0.4665(3) 0.59960(14) 0.0152(3) Uani 1 8 d . . .
C5 C 0.51641(9) -0.3860(3) 0.61653(14) 0.0145(3) Uani 1 8 d . . .
C6 C 0.50973(9) -0.1890(3) 0.55776(13) 0.0114(3) Uani 1 8 d . . .
C7 C 0.30238(9) 0.7928(3) 0.18299(14) 0.0124(3) Uani 1 8 d . . .
C8 C 0.34622(10) 0.9034(3) 0.15423(15) 0.0164(3) Uani 1 8 d . . .
H2 H 0.33245 -0.09514 0.41675 0.0166 Uiso 1 8 calc R . .
H3 H 0.34657 -0.41671 0.51269 0.0177 Uiso 1 8 calc R . .
H4 H 0.46189 -0.59783 0.63897 0.0183 Uiso 1 8 calc R . .
H5 H 0.56235 -0.46079 0.66749 0.0174 Uiso 1 8 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 O1 2.3882(17) yes . .
Ag1 O2 2.2601(19) yes . 6_545
Ag1 N1 2.2681(14) yes . .
F1 C8 1.324(2) yes . .
F2 C8 1.338(3) yes . .
F3 C8 1.351(2) yes . .
O1 C7 1.235(2) yes . .
O2 C7 1.250(3) yes . .
N1 C1 1.349(3) yes . .
N1 C6 1.345(3) yes . 3_656
C1 C2 1.426(3) yes . .
C1 C6 1.437(2) yes . .
C2 C3 1.361(3) yes . .
C3 C4 1.427(2) yes . .
C4 C5 1.360(3) yes . .
C5 C6 1.427(3) yes . .
C7 C8 1.551(4) yes . .
C2 H2 0.950 no . .
C3 H3 0.950 no . .
C4 H4 0.950 no . .
C5 H5 0.950 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Ag1 O2 96.29(6) yes . . 6_545
O1 Ag1 N1 116.57(7) yes . . .
O2 Ag1 N1 139.81(7) yes 6_545 . .
Ag1 O1 C7 138.95(18) yes . . .
Ag1 O2 C7 119.46(12) yes 6_555 . .
Ag1 N1 C1 120.31(14) yes . . .
Ag1 N1 C6 121.73(11) yes . . 3_656
C1 N1 C6 117.93(14) yes . . 3_656
N1 C1 C2 120.01(15) yes . . .
N1 C1 C6 120.8(2) yes . . .
C2 C1 C6 119.16(17) yes . . .
C1 C2 C3 120.04(15) yes . . .
C2 C3 C4 120.7(2) yes . . .
C3 C4 C5 121.04(19) yes . . .
C4 C5 C6 119.99(15) yes . . .
N1 C6 C1 121.24(17) yes 3_656 . .
N1 C6 C5 119.74(15) yes 3_656 . .
C1 C6 C5 119.0(2) yes . . .
O1 C7 O2 130.3(3) yes . . .
O1 C7 C8 114.2(2) yes . . .
O2 C7 C8 115.47(16) yes . . .
F1 C8 F2 108.29(19) yes . . .
F1 C8 F3 106.34(14) yes . . .
F1 C8 C7 113.3(2) yes . . .
F2 C8 F3 106.6(2) yes . . .
F2 C8 C7 111.33(15) yes . . .
F3 C8 C7 110.66(17) yes . . .
C1 C2 H2 119.979 no . . .
C3 C2 H2 119.981 no . . .
C2 C3 H3 119.632 no . . .
C4 C3 H3 119.618 no . . .
C3 C4 H4 119.489 no . . .
C5 C4 H4 119.467 no . . .
C4 C5 H5 119.990 no . . .
C6 C5 H5 120.021 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Ag1 O2 C7 148.44(8) no . . 6_545 6_545
O2 Ag1 O1 C7 44.80(14) no 6_545 . . .
O1 Ag1 N1 C1 -169.91(10) no . . . .
O1 Ag1 N1 C6 12.08(14) no . . . 3_656
N1 Ag1 O1 C7 -111.33(14) no . . . .
O2 Ag1 N1 C1 48.65(14) no 6_545 . . .
O2 Ag1 N1 C6 -129.36(12) no 6_545 . . 3_656
N1 Ag1 O2 C7 -65.68(11) no . . 6_545 6_545
Ag1 O1 C7 O2 -40.1(2) no . . . .
Ag1 O1 C7 C8 140.08(16) no . . . .
Ag1 O2 C7 O1 -15.3(2) no 6_555 . . .
Ag1 O2 C7 C8 164.57(7) no 6_555 . . .
Ag1 N1 C1 C2 1.9(2) no . . . .
Ag1 N1 C1 C6 -177.51(11) no . . . .
Ag1 N1 C6 C1 177.48(11) no . . 3_656 3_656
Ag1 N1 C6 C5 -2.7(2) no . . 3_656 3_656
C1 N1 C6 C1 -0.6(3) no . . 3_656 3_656
C1 N1 C6 C5 179.24(16) no . . 3_656 3_656
C6 N1 C1 C2 -179.99(16) no 3_656 . . .
C6 N1 C1 C6 0.6(3) no 3_656 . . .
N1 C1 C2 C3 -179.73(17) no . . . .
N1 C1 C6 N1 -0.6(3) no . . . 3_656
N1 C1 C6 C5 179.23(16) no . . . .
C2 C1 C6 N1 179.97(17) no . . . 3_656
C2 C1 C6 C5 -0.2(3) no . . . .
C6 C1 C2 C3 -0.3(3) no . . . .
C1 C2 C3 C4 0.6(3) no . . . .
C2 C3 C4 C5 -0.4(3) no . . . .
C3 C4 C5 C6 -0.1(3) no . . . .
C4 C5 C6 N1 -179.79(18) no . . . 3_656
C4 C5 C6 C1 0.4(3) no . . . .
O1 C7 C8 F1 179.10(12) no . . . .
O1 C7 C8 F2 56.76(16) no . . . .
O1 C7 C8 F3 -61.57(19) no . . . .
O2 C7 C8 F1 -0.78(18) no . . . .
O2 C7 C8 F2 -123.12(15) no . . . .
O2 C7 C8 F3 118.55(15) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 O1 3.343(2) no . 6_545
Ag1 C2 3.2880(19) no . .
Ag1 C5 3.319(3) no . 3_656
F1 O1 3.486(2) no . .
F1 O2 2.614(3) no . .
F2 O1 2.785(3) no . .
F2 O2 3.316(3) no . .
F3 O1 2.816(2) no . .
F3 O2 3.289(3) no . .
F3 C4 3.320(2) no . 3_656
F3 C5 3.323(2) no . 3_656
O1 C5 3.399(2) no . 3_656
N1 N1 2.8256(19) no . 3_656
C1 C1 2.722(3) no . 3_656
C1 C4 2.805(3) no . .
C2 C5 2.824(2) no . .
C3 C6 2.809(3) no . .
C6 C6 2.716(3) no . 3_656
Ag1 F1 3.164(2) no . 1_545
Ag1 O2 2.5652(13) no . 1_545
Ag1 C3 3.367(2) no . 1_565
Ag1 C7 3.411(2) no . 1_545
F1 Ag1 3.164(2) no . 1_565
F1 O1 2.989(2) no . 1_565
F1 N1 3.554(3) no . 1_565
F1 C2 3.563(4) no . 4_564
F1 C3 3.130(4) no . 4_564
F1 C5 3.449(2) no . 3_666
F2 F2 2.959(2) no . 7_565
F2 O1 3.2546(18) no . 7_565
F2 O2 3.425(2) no . 7_565
F2 C2 3.289(3) no . 4_564
F2 C3 3.268(3) no . 4_554
F2 C4 3.427(3) no . 4_554
F2 C7 3.110(2) no . 7_565
F2 C8 3.495(2) no . 7_565
F3 N1 3.214(3) no . 1_565
F3 C5 3.519(2) no . 3_666
F3 C6 3.179(2) no . 3_666
O1 F1 2.989(2) no . 1_545
O1 F2 3.2546(18) no . 7_565
O2 Ag1 2.5652(13) no . 1_565
O2 F2 3.425(2) no . 7_565
O2 N1 3.4020(16) no . 1_565
O2 C2 3.418(2) no . 1_565
O2 C2 3.544(2) no . 6_565
O2 C3 3.2342(19) no . 6_565
N1 F1 3.554(3) no . 1_545
N1 F3 3.214(3) no . 1_545
N1 O2 3.4020(16) no . 1_545
N1 C4 3.473(3) no . 1_565
N1 C7 3.529(2) no . 1_545
C2 F1 3.563(4) no . 4_565
C2 F2 3.289(3) no . 4_565
C2 O2 3.418(2) no . 1_545
C2 O2 3.544(2) no . 6_535
C3 Ag1 3.367(2) no . 1_545
C3 F1 3.130(4) no . 4_565
C3 F2 3.268(3) no . 4_555
C3 O2 3.2342(19) no . 6_535
C4 F2 3.427(3) no . 4_555
C4 N1 3.473(3) no . 1_545
C5 F1 3.449(2) no . 3_666
C5 F3 3.519(2) no . 3_666
C5 C5 3.558(4) no . 3_646
C5 C6 3.478(3) no . 3_646
C6 F3 3.179(2) no . 3_666
C6 C5 3.478(3) no . 3_646
C7 Ag1 3.411(2) no . 1_565
C7 F2 3.110(2) no . 7_565
C7 N1 3.529(2) no . 1_565
C8 F2 3.495(2) no . 7_565
Ag1 H2 2.7348 no . .
Ag1 H2 3.1415 no . 6_555
Ag1 H5 2.7718 no . 3_656
F3 H4 2.6843 no . 3_656
F3 H5 2.6976 no . 3_656
O1 H2 2.8167 no . 6_555
O1 H5 2.4616 no . 3_656
O2 H2 3.5461 no . 6_555
N1 H2 2.5988 no . .
N1 H5 2.5925 no . 3_656
C1 H3 3.2745 no . .
C1 H5 3.3287 no . .
C2 H4 3.2709 no . .
C3 H5 3.2850 no . .
C4 H2 3.2836 no . .
C5 H3 3.2729 no . .
C6 H2 3.3292 no . .
C6 H4 3.2726 no . .
C7 H2 3.3810 no . 6_555
C7 H5 3.1462 no . 3_656
C8 H5 3.3822 no . 3_656
H2 H3 2.3056 no . .
H3 H4 2.3643 no . .
H4 H5 2.3018 no . .
Ag1 H3 3.3613 no . 1_565
F1 H2 3.5481 no . 4_564
F1 H3 2.7772 no . 4_564
F1 H3 3.4077 no . 6_565
F1 H5 3.0529 no . 3_666
F2 H2 2.9508 no . 4_564
F2 H3 2.5710 no . 4_554
F2 H4 2.8933 no . 4_554
F3 H4 2.8441 no . 4_554
O2 H2 2.8732 no . 1_565
O2 H2 3.3000 no . 6_565
O2 H3 2.6978 no . 6_565
N1 H4 3.4633 no . 1_565
C1 H4 3.5695 no . 1_565
C1 H5 3.5836 no . 3_646
C4 H4 3.3779 no . 2_656
C6 H5 3.4792 no . 3_646
C7 H2 3.4109 no . 1_565
C7 H3 3.2992 no . 6_565
C8 H4 3.4608 no . 4_554
H2 F1 3.5481 no . 4_565
H2 F2 2.9508 no . 4_565
H2 O2 2.8732 no . 1_545
H2 O2 3.3000 no . 6_535
H2 C7 3.4109 no . 1_545
H3 Ag1 3.3613 no . 1_545
H3 F1 2.7772 no . 4_565
H3 F1 3.4077 no . 6_535
H3 F2 2.5710 no . 4_555
H3 O2 2.6978 no . 6_535
H3 C7 3.2992 no . 6_535
H4 F2 2.8933 no . 4_555
H4 F3 2.8441 no . 4_555
H4 N1 3.4633 no . 1_545
H4 C1 3.5695 no . 1_545
H4 C4 3.3779 no . 2_656
H4 C8 3.4608 no . 4_555
H4 H4 2.7566 no . 2_656
H5 F1 3.0529 no . 3_666
H5 C1 3.5836 no . 3_646
H5 C6 3.4792 no . 3_646

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_mfu106-3b-2
_database_code_depnum_ccdc_archive 'CCDC 1522910'
_audit_update_record             
;
2017-01-26 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C27 H18 Ag B Cl2 F4 N2'
_chemical_formula_moiety         'C27 H18 Ag B Cl2 F4 N2'
_chemical_formula_weight         636.03
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
_space_group_IT_number           18
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,+Z
3 1/2+X,1/2-Y,-Z
4 1/2-X,1/2+Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   16.4929(16)
_cell_length_b                   12.6770(11)
_cell_length_c                   11.4596(10)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     2396.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8459
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.040
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264.00
_exptl_absorpt_coefficient_mu    1.114
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_T_max  0.956

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            77808
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         3.442
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             5490
_reflns_number_gt                5314
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.776
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    0.999

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0191
_refine_ls_R_factor_gt           0.0183
_refine_ls_wR_factor_ref         0.0504
_refine_ls_wR_factor_gt          0.0500
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_reflns         5490
_refine_ls_number_parameters     375
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0317P)²+0.8538P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 2284 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.022(4)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.5000 0.5000 0.97327(2) 0.02203(7) Uani 1 2 d S T P . .
Ag2 Ag 0.0000 0.5000 1.13729(2) 0.02309(7) Uani 1 2 d S T P . .
Cl1 Cl 0.29738(6) 0.70536(9) 0.66700(8) 0.0580(3) Uani 1 1 d . . . . .
Cl2 Cl 0.41326(4) 0.75991(6) 0.84969(8) 0.04156(19) Uani 1 1 d . . . . .
F1 F 0.31907(11) 0.51484(18) 0.95807(18) 0.0483(5) Uani 1 1 d . . . . .
F2 F 0.25031(16) 0.3594(2) 0.9670(3) 0.0322(6) Uani 0.75 1 d . . P A 1
F3 F 0.20373(14) 0.4927(3) 0.85561(17) 0.0400(5) Uani 0.75 1 d . . P A 1
F4 F 0.19648(18) 0.5056(4) 1.0525(2) 0.0441(6) Uani 0.75 1 d . . P A 1
N1 N 0.5000 0.5000 0.78507(19) 0.0152(4) Uani 1 2 d S T P . .
N2 N 0.5000 0.5000 0.16163(19) 0.0146(4) Uani 1 2 d S T P . .
N3 N 0.0000 0.5000 0.3253(2) 0.0170(4) Uani 1 2 d S T P . .
N4 N 0.0000 0.5000 0.9503(2) 0.0151(4) Uani 1 2 d S T P . .
C1 C 0.40600(15) 0.35571(19) 0.7882(2) 0.0186(5) Uani 1 1 d . . . . .
H1 H 0.4045 0.3588 0.8710 0.022 Uiso 1 1 calc R U . . .
C2 C 0.36172(15) 0.2810(2) 0.7312(2) 0.0202(5) Uani 1 1 d . . . . .
H2 H 0.3305 0.2318 0.7748 0.024 Uiso 1 1 calc R U . . .
C3 C 0.36164(14) 0.27573(19) 0.6074(2) 0.0186(5) Uani 1 1 d . . . . .
H3 H 0.3311 0.2227 0.5687 0.022 Uiso 1 1 calc R U . . .
C4 C 0.40558(14) 0.34707(18) 0.5439(2) 0.0152(4) Uani 1 1 d . . . . .
H4 H 0.4042 0.3441 0.4611 0.018 Uiso 1 1 calc R U . . .
C5 C 0.45357(13) 0.42605(18) 0.60052(19) 0.0128(4) Uani 1 1 d . . . . .
C6 C 0.45455(13) 0.42939(18) 0.72499(19) 0.0146(4) Uani 1 1 d . . . . .
C7 C 0.5000 0.5000 0.5384(2) 0.0122(5) Uani 1 2 d S T P . .
C8 C 0.5000 0.5000 0.4081(2) 0.0114(5) Uani 1 2 d S T P . .
C9 C 0.45265(12) 0.57336(17) 0.34630(19) 0.0120(4) Uani 1 1 d . . . . .
C10 C 0.45390(13) 0.57032(18) 0.22146(19) 0.0141(4) Uani 1 1 d . . . . .
C11 C 0.40658(15) 0.64511(19) 0.1581(2) 0.0204(5) Uani 1 1 d . . . . .
H11 H 0.4062 0.6432 0.0752 0.024 Uiso 1 1 calc R U . . .
C12 C 0.36194(15) 0.7193(2) 0.2155(2) 0.0247(5) Uani 1 1 d . . . . .
H12 H 0.3314 0.7693 0.1722 0.030 Uiso 1 1 calc R U . . .
C13 C 0.36061(14) 0.72248(19) 0.3393(2) 0.0222(5) Uani 1 1 d . . . . .
H13 H 0.3290 0.7744 0.3780 0.027 Uiso 1 1 calc R U . . .
C14 C 0.40445(14) 0.65157(18) 0.4033(2) 0.0162(4) Uani 1 1 d . . . . .
H14 H 0.4029 0.6543 0.4862 0.019 Uiso 1 1 calc R U . . .
C15 C 0.0000 0.5000 0.5727(2) 0.0126(5) Uani 1 2 d S T P . .
C16 C 0.07369(12) 0.4956(2) 0.51017(16) 0.0140(4) Uani 1 1 d . . . . .
C17 C 0.07093(12) 0.4977(2) 0.38473(16) 0.0156(4) Uani 1 1 d . . . . .
C18 C 0.14512(13) 0.4974(2) 0.32068(17) 0.0206(4) Uani 1 1 d . . . . .
H18 H 0.1439 0.4984 0.2378 0.025 Uiso 1 1 calc R U . . .
C19 C 0.21774(13) 0.4956(3) 0.37735(19) 0.0235(4) Uani 1 1 d . . . . .
H19 H 0.2667 0.4964 0.3336 0.028 Uiso 1 1 calc R U . . .
C20 C 0.22103(13) 0.4925(3) 0.5011(2) 0.0213(4) Uani 1 1 d . . . . .
H20 H 0.2721 0.4904 0.5393 0.026 Uiso 1 1 calc R U . . .
C21 C 0.15124(12) 0.4925(2) 0.56596(18) 0.0167(4) Uani 1 1 d . . . . .
H21 H 0.1544 0.4904 0.6487 0.020 Uiso 1 1 calc R U . . .
C22 C 0.0000 0.5000 0.7030(2) 0.0137(5) Uani 1 2 d S T P . .
C23 C 0.03039(13) 0.58720(18) 0.76529(18) 0.0130(4) Uani 1 1 d . . . . .
C24 C 0.03125(13) 0.58271(18) 0.89067(19) 0.0144(4) Uani 1 1 d . . . . .
C25 C 0.06741(14) 0.6673(2) 0.9541(2) 0.0173(4) Uani 1 1 d . . . . .
H25 H 0.0689 0.6648 1.0369 0.021 Uiso 1 1 calc R U . . .
C26 C 0.09968(14) 0.7514(2) 0.8973(2) 0.0190(5) Uani 1 1 d . . . . .
H26 H 0.1246 0.8064 0.9407 0.023 Uiso 1 1 calc R U . . .
C27 C 0.09651(14) 0.75795(18) 0.7740(2) 0.0166(4) Uani 1 1 d . . . . .
H27 H 0.1185 0.8179 0.7356 0.020 Uiso 1 1 calc R U . . .
C28 C 0.06221(13) 0.67886(18) 0.7096(2) 0.0157(4) Uani 1 1 d . . . . .
H28 H 0.0595 0.6850 0.6270 0.019 Uiso 1 1 calc R U . . .
C29 C 0.31004(16) 0.7396(3) 0.8151(2) 0.0311(6) Uani 1 1 d . . . . .
H29A H 0.2880 0.6827 0.8649 0.037 Uiso 1 1 calc R U . . .
H29B H 0.2791 0.8049 0.8318 0.037 Uiso 1 1 calc R U . . .
B1 B 0.2422(3) 0.4681(4) 0.9596(4) 0.0216(9) Uani 0.75 1 d . . P A 1
B2 B 0.2553(9) 0.4859(15) 1.023(2) 0.040(4) Uani 0.25 1 d . . P A 2
F6 F 0.2938(5) 0.4491(6) 1.1271(7) 0.0403(17) Uani 0.25 1 d . . P A 2
F7 F 0.2102(12) 0.4128(18) 0.9814(15) 0.124(8) Uani 0.25 1 d . . P A 2
F8 F 0.2142(9) 0.5779(13) 1.0576(11) 0.085(4) Uani 0.25 1 d . . P A 2


#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_molecular_graphics    'CrystalStructure 4.2.2'

#==============================================================================
# MOLECULAR GEOMETRY

_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 N1 2.157(2) . ?
Ag1 N2 2.159(2) 1_556 ?
Ag2 N4 2.143(2) . ?
Ag2 N3 2.154(2) 1_556 ?
Cl1 C29 1.764(3) . ?
Cl2 C29 1.767(3) . ?
F1 B2 1.337(17) . ?
F1 B1 1.400(5) . ?
F2 B1 1.388(6) . ?
F3 B1 1.385(5) . ?
F4 B1 1.389(5) . ?
N1 C6 1.355(3) . ?
N1 C6 1.355(3) 2_665 ?
N2 C10 1.358(3) . ?
N2 C10 1.358(3) 2_665 ?
N2 Ag1 2.159(2) 1_554 ?
N3 C17 1.354(2) 2_565 ?
N3 C17 1.354(2) . ?
N3 Ag2 2.154(2) 1_554 ?
N4 C24 1.353(3) . ?
N4 C24 1.353(3) 2_565 ?
C1 C2 1.363(4) . ?
C1 C6 1.428(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.420(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.369(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.432(3) . ?
C4 H4 0.9500 . ?
C5 C7 1.404(2) . ?
C5 C6 1.427(3) . ?
C7 C5 1.404(2) 2_665 ?
C7 C8 1.493(3) . ?
C8 C9 1.406(2) . ?
C8 C9 1.406(2) 2_665 ?
C9 C14 1.429(3) . ?
C9 C10 1.431(3) . ?
C10 C11 1.427(3) . ?
C11 C12 1.363(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.419(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.367(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.412(2) 2_565 ?
C15 C16 1.412(2) . ?
C15 C22 1.494(3) . ?
C16 C21 1.430(3) . ?
C16 C17 1.438(2) . ?
C17 C18 1.427(3) . ?
C18 C19 1.363(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.420(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.370(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.408(2) . ?
C22 C23 1.408(2) 2_565 ?
C23 C28 1.426(3) . ?
C23 C24 1.438(3) . ?
C24 C25 1.426(3) . ?
C25 C26 1.357(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.416(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.368(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
B2 F7 1.28(3) . ?
B2 F8 1.41(2) . ?
B2 F6 1.43(2) . ?

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 Ag1 N2 180.0 . 1_556 ?
N4 Ag2 N3 180.0 . 1_556 ?
C6 N1 C6 118.9(2) . 2_665 ?
C6 N1 Ag1 120.53(12) . . ?
C6 N1 Ag1 120.53(12) 2_665 . ?
C10 N2 C10 119.3(2) . 2_665 ?
C10 N2 Ag1 120.34(12) . 1_554 ?
C10 N2 Ag1 120.34(12) 2_665 1_554 ?
C17 N3 C17 119.6(2) 2_565 . ?
C17 N3 Ag2 120.22(11) 2_565 1_554 ?
C17 N3 Ag2 120.22(11) . 1_554 ?
C24 N4 C24 119.4(3) . 2_565 ?
C24 N4 Ag2 120.32(13) . . ?
C24 N4 Ag2 120.32(13) 2_565 . ?
C2 C1 C6 120.8(2) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C1 C2 C3 120.8(2) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.9(2) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C7 C5 C6 118.7(2) . . ?
C7 C5 C4 122.61(19) . . ?
C6 C5 C4 118.7(2) . . ?
N1 C6 C5 122.2(2) . . ?
N1 C6 C1 119.0(2) . . ?
C5 C6 C1 118.8(2) . . ?
C5 C7 C5 119.1(2) 2_665 . ?
C5 C7 C8 120.45(12) 2_665 . ?
C5 C7 C8 120.45(12) . . ?
C9 C8 C9 119.5(2) . 2_665 ?
C9 C8 C7 120.25(12) . . ?
C9 C8 C7 120.26(12) 2_665 . ?
C8 C9 C14 122.51(19) . . ?
C8 C9 C10 118.54(19) . . ?
C14 C9 C10 118.9(2) . . ?
N2 C10 C11 119.1(2) . . ?
N2 C10 C9 122.0(2) . . ?
C11 C10 C9 118.9(2) . . ?
C12 C11 C10 120.5(2) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 120.7(2) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 120.6(2) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C9 120.3(2) . . ?
C13 C14 H14 119.8 . . ?
C9 C14 H14 119.8 . . ?
C16 C15 C16 119.0(2) 2_565 . ?
C16 C15 C22 120.50(12) 2_565 . ?
C16 C15 C22 120.50(12) . . ?
C15 C16 C21 122.94(18) . . ?
C15 C16 C17 118.64(18) . . ?
C21 C16 C17 118.39(17) . . ?
N3 C17 C18 118.81(18) . . ?
N3 C17 C16 122.06(18) . . ?
C18 C17 C16 119.14(18) . . ?
C19 C18 C17 120.57(18) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 120.66(19) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C16 120.58(19) . . ?
C20 C21 H21 119.7 . . ?
C16 C21 H21 119.7 . . ?
C23 C22 C23 119.1(2) . 2_565 ?
C23 C22 C15 120.44(12) . . ?
C23 C22 C15 120.44(12) 2_565 . ?
C22 C23 C28 123.0(2) . . ?
C22 C23 C24 118.6(2) . . ?
C28 C23 C24 118.4(2) . . ?
N4 C24 C25 119.0(2) . . ?
N4 C24 C23 122.1(2) . . ?
C25 C24 C23 118.9(2) . . ?
C26 C25 C24 120.7(2) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C27 120.7(2) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 120.7(2) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C23 120.5(2) . . ?
C27 C28 H28 119.7 . . ?
C23 C28 H28 119.7 . . ?
Cl1 C29 Cl2 111.47(15) . . ?
Cl1 C29 H29A 109.3 . . ?
Cl2 C29 H29A 109.3 . . ?
Cl1 C29 H29B 109.3 . . ?
Cl2 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
F3 B1 F2 108.7(4) . . ?
F3 B1 F4 109.5(3) . . ?
F2 B1 F4 110.2(4) . . ?
F3 B1 F1 108.0(3) . . ?
F2 B1 F1 109.5(3) . . ?
F4 B1 F1 110.9(4) . . ?
F7 B2 F1 117(2) . . ?
F7 B2 F8 115.2(18) . . ?
F1 B2 F8 108.0(14) . . ?
F7 B2 F6 109.3(15) . . ?
F1 B2 F6 101.7(11) . . ?
F8 B2 F6 104.2(18) . . ?

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
C6 C1 C2 C3 -1.1(4) . . . . ?
C1 C2 C3 C4 -0.8(4) . . . . ?
C2 C3 C4 C5 1.5(4) . . . . ?
C3 C4 C5 C7 179.44(19) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C6 N1 C6 C5 0.70(16) 2_665 . . . ?
Ag1 N1 C6 C5 -179.30(16) . . . . ?
C6 N1 C6 C1 -179.3(2) 2_665 . . . ?
Ag1 N1 C6 C1 0.7(2) . . . . ?
C7 C5 C6 N1 -1.4(3) . . . . ?
C4 C5 C6 N1 178.31(18) . . . . ?
C7 C5 C6 C1 178.66(18) . . . . ?
C4 C5 C6 C1 -1.6(3) . . . . ?
C2 C1 C6 N1 -177.6(2) . . . . ?
C2 C1 C6 C5 2.3(4) . . . . ?
C6 C5 C7 C5 0.65(15) . . . 2_665 ?
C4 C5 C7 C5 -179.0(2) . . . 2_665 ?
C6 C5 C7 C8 -179.35(15) . . . . ?
C4 C5 C7 C8 1.0(2) . . . . ?
C5 C7 C8 C9 -79.26(15) 2_665 . . . ?
C5 C7 C8 C9 100.74(15) . . . . ?
C5 C7 C8 C9 100.74(15) 2_665 . . 2_665 ?
C5 C7 C8 C9 -79.26(15) . . . 2_665 ?
C9 C8 C9 C14 -178.6(2) 2_665 . . . ?
C7 C8 C9 C14 1.4(2) . . . . ?
C9 C8 C9 C10 0.41(14) 2_665 . . . ?
C7 C8 C9 C10 -179.59(14) . . . . ?
C10 N2 C10 C11 179.0(2) 2_665 . . . ?
Ag1 N2 C10 C11 -1.0(2) 1_554 . . . ?
C10 N2 C10 C9 0.44(15) 2_665 . . . ?
Ag1 N2 C10 C9 -179.56(15) 1_554 . . . ?
C8 C9 C10 N2 -0.9(3) . . . . ?
C14 C9 C10 N2 178.21(17) . . . . ?
C8 C9 C10 C11 -179.44(17) . . . . ?
C14 C9 C10 C11 -0.4(3) . . . . ?
N2 C10 C11 C12 -177.6(2) . . . . ?
C9 C10 C11 C12 1.0(3) . . . . ?
C10 C11 C12 C13 -1.0(4) . . . . ?
C11 C12 C13 C14 0.4(4) . . . . ?
C12 C13 C14 C9 0.3(4) . . . . ?
C8 C9 C14 C13 178.75(19) . . . . ?
C10 C9 C14 C13 -0.3(3) . . . . ?
C16 C15 C16 C21 179.1(3) 2_565 . . . ?
C22 C15 C16 C21 -0.9(3) . . . . ?
C16 C15 C16 C17 1.1(2) 2_565 . . . ?
C22 C15 C16 C17 -178.9(2) . . . . ?
C17 N3 C17 C18 -178.7(3) 2_565 . . . ?
Ag2 N3 C17 C18 1.2(3) 1_554 . . . ?
C17 N3 C17 C16 1.2(2) 2_565 . . . ?
Ag2 N3 C17 C16 -178.8(2) 1_554 . . . ?
C15 C16 C17 N3 -2.3(4) . . . . ?
C21 C16 C17 N3 179.6(2) . . . . ?
C15 C16 C17 C18 177.6(2) . . . . ?
C21 C16 C17 C18 -0.5(5) . . . . ?
N3 C17 C18 C19 179.7(3) . . . . ?
C16 C17 C18 C19 -0.3(5) . . . . ?
C17 C18 C19 C20 0.9(5) . . . . ?
C18 C19 C20 C21 -0.8(5) . . . . ?
C19 C20 C21 C16 0.0(5) . . . . ?
C15 C16 C21 C20 -177.4(2) . . . . ?
C17 C16 C21 C20 0.6(5) . . . . ?
C16 C15 C22 C23 -111.77(17) 2_565 . . . ?
C16 C15 C22 C23 68.23(17) . . . . ?
C16 C15 C22 C23 68.23(17) 2_565 . . 2_565 ?
C16 C15 C22 C23 -111.77(17) . . . 2_565 ?
C23 C22 C23 C28 -179.9(2) 2_565 . . . ?
C15 C22 C23 C28 0.1(2) . . . . ?
C23 C22 C23 C24 1.65(14) 2_565 . . . ?
C15 C22 C23 C24 -178.35(14) . . . . ?
C24 N4 C24 C25 -177.1(2) 2_565 . . . ?
Ag2 N4 C24 C25 2.9(2) . . . . ?
C24 N4 C24 C23 1.78(16) 2_565 . . . ?
Ag2 N4 C24 C23 -178.22(16) . . . . ?
C22 C23 C24 N4 -3.5(3) . . . . ?
C28 C23 C24 N4 177.97(17) . . . . ?
C22 C23 C24 C25 175.41(17) . . . . ?
C28 C23 C24 C25 -3.1(3) . . . . ?
N4 C24 C25 C26 179.73(19) . . . . ?
C23 C24 C25 C26 0.8(3) . . . . ?
C24 C25 C26 C27 1.4(4) . . . . ?
C25 C26 C27 C28 -1.2(4) . . . . ?
C26 C27 C28 C23 -1.3(4) . . . . ?
C22 C23 C28 C27 -175.07(19) . . . . ?
C24 C23 C28 C27 3.4(3) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.


####################################################################### 
# 
# 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_mfu106-2e-2
_database_code_depnum_ccdc_archive 'CCDC 1523066'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C34 H32 Ag Cl N2 O6'
_chemical_formula_moiety         'C34 H32 Ag Cl N2 O6'
_chemical_formula_weight         707.96
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
_space_group_IT_number           33
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2+Z
3 1/2+X,1/2-Y,+Z
4 -X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   18.5169(19)
_cell_length_b                   14.1650(15)
_cell_length_c                   11.4339(11)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     2999.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7027
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1448.00
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_T_max  0.984

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            24638
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         3.176
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             6764
_reflns_number_gt                5242
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.0906
_refine_ls_wR_factor_gt          0.0832
_refine_ls_number_restraints     67
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6764
_refine_ls_number_parameters     397
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0278P)²+5.7829P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.27
_refine_diff_density_min         -0.82
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 2004 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.022(15)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.79824(2) 0.97361(3) 0.34739(4) 0.02012(12) Uani 1 4 d . . .
Cl1 Cl 0.63130(8) 0.97519(14) 0.20734(13) 0.0223(3) Uani 1 4 d . . .
O1 O 0.6621(3) 1.0599(4) 0.2577(4) 0.0338(13) Uani 1 4 d . . .
O2 O 0.5552(3) 0.9747(5) 0.2258(6) 0.0519(17) Uani 1 4 d . . .
O3 O 0.6463(3) 0.9737(5) 0.0846(4) 0.0341(13) Uani 1 4 d . . .
O4 O 0.6640(3) 0.8946(4) 0.2632(4) 0.0292(12) Uani 1 4 d . . .
O5 O 0.8793(3) 0.7702(5) 0.4245(5) 0.0458(16) Uani 1 4 d . . .
O6 O 0.9001(5) 1.1928(6) 0.4247(7) 0.080(3) Uani 1 4 d . . .
N1 N 0.8142(3) 0.9748(5) 0.1590(6) 0.0149(13) Uani 1 4 d . . .
N2 N 0.8004(3) 0.9769(5) -0.4642(7) 0.0155(12) Uani 1 4 d . . .
C1 C 0.8105(5) 0.7227(5) 0.1056(6) 0.0320(19) Uani 1 4 d . . .
C2 C 0.8121(4) 0.8062(5) 0.1631(6) 0.0239(16) Uani 1 4 d . . .
C3 C 0.8124(3) 0.8929(5) 0.1002(5) 0.0159(14) Uani 1 4 d . . .
C4 C 0.8101(3) 0.8908(5) -0.0253(5) 0.0145(14) Uani 1 4 d . . .
C5 C 0.8084(4) 0.8002(5) -0.0826(6) 0.0247(16) Uani 1 4 d . . .
C6 C 0.8085(5) 0.7197(5) -0.0189(6) 0.0329(19) Uani 1 4 d . . .
C7 C 0.8104(4) 0.9775(7) -0.0853(7) 0.0143(17) Uani 1 4 d . . .
C8 C 0.8132(3) 1.0622(5) -0.0248(5) 0.0150(14) Uani 1 4 d . . .
C9 C 0.8153(4) 1.1517(5) -0.0814(5) 0.0215(16) Uani 1 4 d . . .
C10 C 0.8200(4) 1.2328(6) -0.0179(6) 0.0282(17) Uani 1 4 d . . .
C11 C 0.8218(4) 1.2278(5) 0.1073(6) 0.0275(17) Uani 1 4 d . . .
C12 C 0.8193(4) 1.1446(5) 0.1643(6) 0.0200(15) Uani 1 4 d . . .
C13 C 0.8144(3) 1.0581(5) 0.1004(5) 0.0134(13) Uani 1 4 d . . .
C14 C 0.8069(4) 0.9738(6) -0.2161(7) 0.0127(15) Uani 1 4 d . . .
C15 C 0.8708(3) 0.9713(5) -0.2833(5) 0.0178(11) Uani 1 4 d . . .
C16 C 0.8653(3) 0.9717(5) -0.4088(5) 0.0165(11) Uani 1 4 d . . .
C17 C 0.7387(3) 0.9783(5) -0.4002(5) 0.0144(11) Uani 1 4 d . . .
C18 C 0.7404(3) 0.9799(5) -0.2736(5) 0.0134(10) Uani 1 4 d . . .
C19 C 0.6739(3) 0.9844(5) -0.2111(5) 0.0172(13) Uani 1 4 d . . .
C20 C 0.6099(3) 0.9880(5) -0.2703(6) 0.0181(14) Uani 1 4 d . . .
C21 C 0.6080(4) 0.9867(5) -0.3941(6) 0.0180(15) Uani 1 4 d . . .
C22 C 0.6707(4) 0.9818(5) -0.4566(5) 0.0164(13) Uani 1 4 d . . .
C23 C 0.9406(3) 0.9634(6) -0.2316(5) 0.0236(16) Uani 1 4 d . . .
C24 C 1.0007(4) 0.9588(6) -0.2982(6) 0.0319(19) Uani 1 4 d . . .
C25 C 0.9956(4) 0.9614(6) -0.4223(6) 0.033(2) Uani 1 4 d . . .
C26 C 0.9299(4) 0.9668(6) -0.4757(6) 0.0252(15) Uani 1 4 d . . .
C27 C 0.8742(5) 0.7239(7) 0.5359(7) 0.044(2) Uani 1 4 d . . .
C28 C 0.9520(6) 0.6985(9) 0.5686(10) 0.070(4) Uani 1 4 d . . .
C29 C 0.9830(6) 0.6771(11) 0.4501(10) 0.081(4) Uani 1 4 d . . .
C30 C 0.9449(5) 0.7408(7) 0.3701(7) 0.049(3) Uani 1 4 d . . .
C31 C 0.8951(13) 1.2183(9) 0.5475(15) 0.147(9) Uani 1 4 d . . .
C32 C 0.9774(13) 1.2568(13) 0.5615(17) 0.162(10) Uani 1 4 d . . .
C33 C 0.9843(8) 1.3103(16) 0.450(2) 0.145(8) Uani 1 4 d . . .
C34 C 0.9450(10) 1.2532(10) 0.3804(13) 0.103(6) Uani 1 4 d . . .
H1 H 0.81074 0.66541 0.14879 0.0384 Uiso 1 4 calc R . .
H2 H 0.81313 0.80691 0.24614 0.0287 Uiso 1 4 calc R . .
H5 H 0.80715 0.79702 -0.1656 0.0296 Uiso 1 4 calc R . .
H6 H 0.80728 0.66044 -0.05769 0.0395 Uiso 1 4 calc R . .
H9 H 0.81342 1.15488 -0.1643 0.0258 Uiso 1 4 calc R . .
H10 H 0.82213 1.29222 -0.0563 0.0338 Uiso 1 4 calc R . .
H11 H 0.82488 1.28464 0.15123 0.0330 Uiso 1 4 calc R . .
H12 H 0.8207 1.14337 0.24736 0.0239 Uiso 1 4 calc R . .
H19 H 0.67412 0.98497 -0.12804 0.0207 Uiso 1 4 calc R . .
H20 H 0.56588 0.9914 -0.22769 0.0218 Uiso 1 4 calc R . .
H21 H 0.56296 0.98914 -0.43384 0.0216 Uiso 1 4 calc R . .
H22 H 0.66872 0.98083 -0.53958 0.0196 Uiso 1 4 calc R . .
H23 H 0.94498 0.9614 -0.14882 0.0284 Uiso 1 4 calc R . .
H24 H 1.04672 0.95372 -0.26201 0.0382 Uiso 1 4 calc R . .
H25 H 1.03824 0.9593 -0.46829 0.0396 Uiso 1 4 calc R . .
H26 H 0.9273 0.96729 -0.55867 0.0302 Uiso 1 4 calc R . .
H27A H 0.844 0.66644 0.53013 0.0529 Uiso 1 4 calc R . .
H27B H 0.85278 0.76666 0.595 0.0529 Uiso 1 4 calc R . .
H28A H 0.9771 0.75212 0.60639 0.0841 Uiso 1 4 calc R . .
H28B H 0.95387 0.64276 0.62072 0.0841 Uiso 1 4 calc R . .
H29A H 1.03563 0.68947 0.44872 0.0972 Uiso 1 4 calc R . .
H29B H 0.97441 0.61036 0.42855 0.0972 Uiso 1 4 calc R . .
H30A H 0.97537 0.79647 0.35259 0.0585 Uiso 1 4 calc R . .
H30B H 0.93422 0.70788 0.29574 0.0585 Uiso 1 4 calc R . .
H31A H 0.88524 1.16305 0.59808 0.1766 Uiso 1 4 calc R . .
H31B H 0.85879 1.26817 0.56183 0.1766 Uiso 1 4 calc R . .
H32A H 0.9827 1.29832 0.63064 0.1938 Uiso 1 4 calc R . .
H32B H 1.01264 1.20442 0.56639 0.1938 Uiso 1 4 calc R . .
H33A H 0.96315 1.3743 0.45582 0.1734 Uiso 1 4 calc R . .
H33B H 1.03515 1.31488 0.42383 0.1734 Uiso 1 4 calc R . .
H34A H 0.91701 1.29432 0.32694 0.1239 Uiso 1 4 calc R . .
H34B H 0.97939 1.21729 0.33134 0.1239 Uiso 1 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 N1 2.175(7) yes . .
Ag1 N2 2.155(8) yes . 1_556
Cl1 O1 1.449(6) yes . .
Cl1 O2 1.426(5) yes . .
Cl1 O3 1.431(5) yes . .
Cl1 O4 1.441(6) yes . .
O5 C27 1.436(10) yes . .
O5 C30 1.426(11) yes . .
O6 C31 1.452(19) yes . .
O6 C34 1.296(19) yes . .
N1 C3 1.341(10) yes . .
N1 C13 1.357(10) yes . .
N2 C16 1.361(9) yes . .
N2 C17 1.356(9) yes . .
C1 C2 1.353(10) yes . .
C1 C6 1.425(10) yes . .
C2 C3 1.424(10) yes . .
C3 C4 1.435(8) yes . .
C4 C5 1.441(10) yes . .
C4 C7 1.407(12) yes . .
C5 C6 1.353(10) yes . .
C7 C8 1.385(12) yes . .
C7 C14 1.497(11) yes . .
C8 C9 1.424(10) yes . .
C8 C13 1.434(8) yes . .
C9 C10 1.361(10) yes . .
C10 C11 1.434(10) yes . .
C11 C12 1.349(10) yes . .
C12 C13 1.429(9) yes . .
C14 C15 1.411(10) yes . .
C14 C18 1.399(10) yes . .
C15 C16 1.439(8) yes . .
C15 C23 1.427(9) yes . .
C16 C26 1.421(9) yes . .
C17 C18 1.448(8) yes . .
C17 C22 1.415(9) yes . .
C18 C19 1.425(8) yes . .
C19 C20 1.366(9) yes . .
C20 C21 1.417(9) yes . .
C21 C22 1.366(9) yes . .
C23 C24 1.350(9) yes . .
C24 C25 1.422(10) yes . .
C25 C26 1.362(9) yes . .
C27 C28 1.531(15) yes . .
C28 C29 1.503(16) yes . .
C29 C30 1.466(16) yes . .
C31 C32 1.63(3) yes . .
C32 C33 1.49(3) yes . .
C33 C34 1.35(3) yes . .
C1 H1 0.950 no . .
C2 H2 0.950 no . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C11 H11 0.950 no . .
C12 H12 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C21 H21 0.950 no . .
C22 H22 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C25 H25 0.950 no . .
C26 H26 0.950 no . .
C27 H27A 0.990 no . .
C27 H27B 0.990 no . .
C28 H28A 0.990 no . .
C28 H28B 0.990 no . .
C29 H29A 0.990 no . .
C29 H29B 0.990 no . .
C30 H30A 0.990 no . .
C30 H30B 0.990 no . .
C31 H31A 0.990 no . .
C31 H31B 0.990 no . .
C32 H32A 0.990 no . .
C32 H32B 0.990 no . .
C33 H33A 0.990 no . .
C33 H33B 0.990 no . .
C34 H34A 0.990 no . .
C34 H34B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N1 Ag1 N2 171.0(2) yes . . 1_556
O1 Cl1 O2 109.6(4) yes . . .
O1 Cl1 O3 109.0(3) yes . . .
O1 Cl1 O4 108.4(3) yes . . .
O2 Cl1 O3 109.7(4) yes . . .
O2 Cl1 O4 110.2(4) yes . . .
O3 Cl1 O4 110.0(3) yes . . .
C27 O5 C30 108.0(7) yes . . .
C31 O6 C34 104.8(11) yes . . .
Ag1 N1 C3 119.1(5) yes . . .
Ag1 N1 C13 119.7(5) yes . . .
C3 N1 C13 120.3(6) yes . . .
Ag1 N2 C16 118.7(5) yes 1_554 . .
Ag1 N2 C17 121.6(5) yes 1_554 . .
C16 N2 C17 119.6(7) yes . . .
C2 C1 C6 120.8(7) yes . . .
C1 C2 C3 120.6(6) yes . . .
N1 C3 C2 119.5(6) yes . . .
N1 C3 C4 121.3(6) yes . . .
C2 C3 C4 119.1(6) yes . . .
C3 C4 C5 118.3(6) yes . . .
C3 C4 C7 118.0(6) yes . . .
C5 C4 C7 123.7(6) yes . . .
C4 C5 C6 120.3(6) yes . . .
C1 C6 C5 120.9(7) yes . . .
C4 C7 C8 120.8(7) yes . . .
C4 C7 C14 117.2(8) yes . . .
C8 C7 C14 122.0(8) yes . . .
C7 C8 C9 123.0(6) yes . . .
C7 C8 C13 117.7(6) yes . . .
C9 C8 C13 119.3(6) yes . . .
C8 C9 C10 120.8(6) yes . . .
C9 C10 C11 119.5(7) yes . . .
C10 C11 C12 121.6(7) yes . . .
C11 C12 C13 120.3(6) yes . . .
N1 C13 C8 121.9(6) yes . . .
N1 C13 C12 119.6(6) yes . . .
C8 C13 C12 118.5(6) yes . . .
C7 C14 C15 120.5(7) yes . . .
C7 C14 C18 120.4(7) yes . . .
C15 C14 C18 118.9(7) yes . . .
C14 C15 C16 118.9(6) yes . . .
C14 C15 C23 122.5(6) yes . . .
C16 C15 C23 118.5(5) yes . . .
N2 C16 C15 121.7(6) yes . . .
N2 C16 C26 119.8(6) yes . . .
C15 C16 C26 118.5(5) yes . . .
N2 C17 C18 121.4(6) yes . . .
N2 C17 C22 120.3(6) yes . . .
C18 C17 C22 118.3(5) yes . . .
C14 C18 C17 119.2(6) yes . . .
C14 C18 C19 121.8(6) yes . . .
C17 C18 C19 118.9(5) yes . . .
C18 C19 C20 120.2(6) yes . . .
C19 C20 C21 121.0(6) yes . . .
C20 C21 C22 120.2(6) yes . . .
C17 C22 C21 121.4(6) yes . . .
C15 C23 C24 121.1(6) yes . . .
C23 C24 C25 120.4(6) yes . . .
C24 C25 C26 120.6(6) yes . . .
C16 C26 C25 120.8(6) yes . . .
O5 C27 C28 105.2(8) yes . . .
C27 C28 C29 100.8(9) yes . . .
C28 C29 C30 104.7(10) yes . . .
O5 C30 C29 108.6(7) yes . . .
O6 C31 C32 96.9(14) yes . . .
C31 C32 C33 99.6(15) yes . . .
C32 C33 C34 98.8(16) yes . . .
O6 C34 C33 120.7(15) yes . . .
C2 C1 H1 119.615 no . . .
C6 C1 H1 119.609 no . . .
C1 C2 H2 119.697 no . . .
C3 C2 H2 119.712 no . . .
C4 C5 H5 119.830 no . . .
C6 C5 H5 119.833 no . . .
C1 C6 H6 119.558 no . . .
C5 C6 H6 119.565 no . . .
C8 C9 H9 119.617 no . . .
C10 C9 H9 119.622 no . . .
C9 C10 H10 120.261 no . . .
C11 C10 H10 120.253 no . . .
C10 C11 H11 119.180 no . . .
C12 C11 H11 119.177 no . . .
C11 C12 H12 119.838 no . . .
C13 C12 H12 119.841 no . . .
C18 C19 H19 119.891 no . . .
C20 C19 H19 119.884 no . . .
C19 C20 H20 119.482 no . . .
C21 C20 H20 119.490 no . . .
C20 C21 H21 119.911 no . . .
C22 C21 H21 119.915 no . . .
C17 C22 H22 119.313 no . . .
C21 C22 H22 119.306 no . . .
C15 C23 H23 119.448 no . . .
C24 C23 H23 119.432 no . . .
C23 C24 H24 119.773 no . . .
C25 C24 H24 119.784 no . . .
C24 C25 H25 119.719 no . . .
C26 C25 H25 119.723 no . . .
C16 C26 H26 119.591 no . . .
C25 C26 H26 119.582 no . . .
O5 C27 H27A 110.704 no . . .
O5 C27 H27B 110.704 no . . .
C28 C27 H27A 110.699 no . . .
C28 C27 H27B 110.710 no . . .
H27A C27 H27B 108.799 no . . .
C27 C28 H28A 111.609 no . . .
C27 C28 H28B 111.623 no . . .
C29 C28 H28A 111.610 no . . .
C29 C28 H28B 111.616 no . . .
H28A C28 H28B 109.403 no . . .
C28 C29 H29A 110.808 no . . .
C28 C29 H29B 110.807 no . . .
C30 C29 H29A 110.815 no . . .
C30 C29 H29B 110.807 no . . .
H29A C29 H29B 108.873 no . . .
O5 C30 H30A 109.980 no . . .
O5 C30 H30B 109.987 no . . .
C29 C30 H30A 109.982 no . . .
C29 C30 H30B 109.982 no . . .
H30A C30 H30B 108.354 no . . .
O6 C31 H31A 112.383 no . . .
O6 C31 H31B 112.390 no . . .
C32 C31 H31A 112.376 no . . .
C32 C31 H31B 112.379 no . . .
H31A C31 H31B 109.951 no . . .
C31 C32 H32A 111.851 no . . .
C31 C32 H32B 111.851 no . . .
C33 C32 H32A 111.851 no . . .
C33 C32 H32B 111.853 no . . .
H32A C32 H32B 109.560 no . . .
C32 C33 H33A 112.002 no . . .
C32 C33 H33B 112.003 no . . .
C34 C33 H33A 112.006 no . . .
C34 C33 H33B 112.001 no . . .
H33A C33 H33B 109.662 no . . .
O6 C34 H34A 107.145 no . . .
O6 C34 H34B 107.138 no . . .
C33 C34 H34A 107.132 no . . .
C33 C34 H34B 107.142 no . . .
H34A C34 H34B 106.814 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C27 O5 C30 C29 -1.7(9) no . . . .
C30 O5 C27 C28 23.0(8) no . . . .
C31 O6 C34 C33 11.1(18) no . . . .
C34 O6 C31 C32 -32.0(12) no . . . .
Ag1 N1 C3 C2 -10.4(7) no . . . .
Ag1 N1 C3 C4 169.2(3) no . . . .
Ag1 N1 C13 C8 -170.0(3) no . . . .
Ag1 N1 C13 C12 13.0(7) no . . . .
C3 N1 C13 C8 -0.5(8) no . . . .
C3 N1 C13 C12 -177.5(5) no . . . .
C13 N1 C3 C2 -179.9(5) no . . . .
C13 N1 C3 C4 -0.4(8) no . . . .
Ag1 N2 C16 C15 -178.5(4) no 1_554 . . .
Ag1 N2 C16 C26 1.6(9) no 1_554 . . .
Ag1 N2 C17 C18 179.6(4) no 1_554 . . .
Ag1 N2 C17 C22 -2.7(9) no 1_554 . . .
C16 N2 C17 C18 3.5(11) no . . . .
C16 N2 C17 C22 -178.8(6) no . . . .
C17 N2 C16 C15 -2.3(11) no . . . .
C17 N2 C16 C26 177.8(6) no . . . .
C2 C1 C6 C5 0.2(13) no . . . .
C6 C1 C2 C3 -0.4(12) no . . . .
C1 C2 C3 N1 -179.8(6) no . . . .
C1 C2 C3 C4 0.6(9) no . . . .
N1 C3 C4 C5 179.9(5) no . . . .
N1 C3 C4 C7 0.4(8) no . . . .
C2 C3 C4 C5 -0.5(8) no . . . .
C2 C3 C4 C7 180.0(5) no . . . .
C3 C4 C5 C6 0.3(9) no . . . .
C3 C4 C7 C8 0.5(9) no . . . .
C3 C4 C7 C14 -179.1(5) no . . . .
C5 C4 C7 C8 -179.0(6) no . . . .
C5 C4 C7 C14 1.5(10) no . . . .
C7 C4 C5 C6 179.8(6) no . . . .
C4 C5 C6 C1 -0.1(11) no . . . .
C4 C7 C8 C9 178.5(5) no . . . .
C4 C7 C8 C13 -1.2(9) no . . . .
C4 C7 C14 C15 -91.0(9) no . . . .
C4 C7 C14 C18 93.7(9) no . . . .
C8 C7 C14 C15 89.4(9) no . . . .
C8 C7 C14 C18 -85.9(9) no . . . .
C14 C7 C8 C9 -2.0(10) no . . . .
C14 C7 C8 C13 178.3(6) no . . . .
C7 C8 C9 C10 -178.2(6) no . . . .
C7 C8 C13 N1 1.3(8) no . . . .
C7 C8 C13 C12 178.4(5) no . . . .
C9 C8 C13 N1 -178.4(5) no . . . .
C9 C8 C13 C12 -1.4(8) no . . . .
C13 C8 C9 C10 1.5(9) no . . . .
C8 C9 C10 C11 -0.9(10) no . . . .
C9 C10 C11 C12 0.3(11) no . . . .
C10 C11 C12 C13 -0.2(10) no . . . .
C11 C12 C13 N1 177.9(6) no . . . .
C11 C12 C13 C8 0.8(9) no . . . .
C7 C14 C15 C16 -177.5(7) no . . . .
C7 C14 C15 C23 5.8(12) no . . . .
C7 C14 C18 C17 178.6(7) no . . . .
C7 C14 C18 C19 -3.5(12) no . . . .
C15 C14 C18 C17 3.2(11) no . . . .
C15 C14 C18 C19 -178.9(6) no . . . .
C18 C14 C15 C16 -2.1(11) no . . . .
C18 C14 C15 C23 -178.8(6) no . . . .
C14 C15 C16 N2 1.6(11) no . . . .
C14 C15 C16 C26 -178.5(6) no . . . .
C14 C15 C23 C24 178.3(7) no . . . .
C16 C15 C23 C24 1.6(11) no . . . .
C23 C15 C16 N2 178.5(6) no . . . .
C23 C15 C16 C26 -1.6(10) no . . . .
N2 C16 C26 C25 -179.8(7) no . . . .
C15 C16 C26 C25 0.3(11) no . . . .
N2 C17 C18 C14 -4.0(10) no . . . .
N2 C17 C18 C19 178.0(6) no . . . .
N2 C17 C22 C21 -177.7(6) no . . . .
C18 C17 C22 C21 0.1(10) no . . . .
C22 C17 C18 C14 178.3(6) no . . . .
C22 C17 C18 C19 0.3(9) no . . . .
C14 C18 C19 C20 -178.4(6) no . . . .
C17 C18 C19 C20 -0.5(10) no . . . .
C18 C19 C20 C21 0.4(10) no . . . .
C19 C20 C21 C22 -0.1(10) no . . . .
C20 C21 C22 C17 -0.2(10) no . . . .
C15 C23 C24 C25 -0.2(12) no . . . .
C23 C24 C25 C26 -1.2(13) no . . . .
C24 C25 C26 C16 1.2(13) no . . . .
O5 C27 C28 C29 -34.4(9) no . . . .
C27 C28 C29 C30 32.9(11) no . . . .
C28 C29 C30 O5 -20.6(11) no . . . .
O6 C31 C32 C33 42.0(12) no . . . .
C31 C32 C33 C34 -35.6(15) no . . . .
C32 C33 C34 O6 19(2) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 C2 3.183(7) no . .
Ag1 C12 3.224(7) no . .
Ag1 C22 3.257(6) no . 1_556
Ag1 C26 3.170(6) no . 1_556
N1 C7 2.795(10) no . .
N1 C24 3.588(9) no . 4_775
N2 C14 2.840(11) no . .
C1 C4 2.813(10) no . .
C1 C17 3.580(11) no . 2_645
C1 C22 3.502(10) no . 2_645
C2 C5 2.812(9) no . .
C3 C6 2.807(10) no . .
C3 C8 2.791(9) no . .
C4 C13 2.773(9) no . .
C4 C15 3.356(8) no . .
C4 C18 3.365(8) no . .
C4 C19 3.555(9) no . .
C4 C23 3.530(9) no . .
C5 C14 2.894(11) no . .
C5 C15 3.531(10) no . .
C5 C18 3.582(9) no . .
C6 C22 3.466(10) no . 2_645
C7 C19 2.909(10) no . .
C7 C23 2.942(10) no . .
C8 C11 2.796(10) no . .
C8 C15 3.395(8) no . .
C8 C18 3.357(8) no . .
C8 C19 3.522(9) no . .
C9 C12 2.812(9) no . .
C9 C14 2.957(11) no . .
C9 C15 3.594(9) no . .
C9 C18 3.561(9) no . .
C10 C13 2.822(10) no . .
C13 C25 3.540(9) no . 4_775
C15 C17 2.789(8) no . .
C15 C25 2.808(9) no . .
C16 C18 2.785(8) no . .
C16 C24 2.814(9) no . .
C17 C20 2.814(9) no . .
C18 C21 2.814(9) no . .
C19 C22 2.807(9) no . .
C23 C26 2.799(9) no . .
Ag1 Cl1 3.4814(16) no . .
Ag1 O1 2.983(6) no . .
Ag1 O4 2.892(5) no . .
Ag1 O5 3.366(7) no . .
Cl1 Ag1 3.4814(16) no . .
Cl1 N1 3.432(5) no . .
O1 Ag1 2.983(6) no . .
O1 N1 3.265(8) no . .
O1 C6 3.456(9) no . 2_655
O1 C12 3.323(9) no . .
O1 C13 3.344(8) no . .
O1 C22 3.453(8) no . 1_556
O1 C27 3.505(10) no . 2_654
O2 C20 3.101(8) no . 4_675
O2 C21 3.362(9) no . 4_675
O3 N1 3.224(8) no . .
O3 C3 3.287(8) no . .
O3 C4 3.488(8) no . .
O3 C8 3.563(8) no . .
O3 C13 3.339(8) no . .
O3 C19 3.423(8) no . .
O4 Ag1 2.892(5) no . .
O4 N1 3.232(8) no . .
O4 C2 3.226(9) no . .
O4 C3 3.320(8) no . .
O4 C10 3.407(9) no . 2_645
O4 C22 3.437(8) no . 1_556
O5 Ag1 3.366(7) no . .
O5 N2 3.511(10) no . 1_556
O5 C2 3.277(9) no . .
O5 C16 3.442(9) no . 1_556
O5 C26 3.153(10) no . 1_556
O6 C12 3.402(11) no . .
O6 C26 3.443(12) no . 1_556
N1 Cl1 3.432(5) no . .
N1 O1 3.265(8) no . .
N1 O3 3.224(8) no . .
N1 O4 3.232(8) no . .
N2 O5 3.511(10) no . 1_554
C2 O4 3.226(9) no . .
C2 O5 3.277(9) no . .
C2 C30 3.536(11) no . .
C3 O3 3.287(8) no . .
C3 O4 3.320(8) no . .
C4 O3 3.488(8) no . .
C6 O1 3.456(9) no . 2_644
C8 O3 3.563(8) no . .
C10 O4 3.407(9) no . 2_654
C12 O1 3.323(9) no . .
C12 O6 3.402(11) no . .
C13 O1 3.344(8) no . .
C13 O3 3.339(8) no . .
C16 O5 3.442(9) no . 1_554
C16 C27 3.570(12) no . 1_554
C16 C31 3.571(15) no . 1_554
C19 O3 3.423(8) no . .
C20 O2 3.101(8) no . 4_674
C21 O2 3.362(9) no . 4_674
C22 O1 3.453(8) no . 1_554
C22 O4 3.437(8) no . 1_554
C26 O5 3.153(10) no . 1_554
C26 O6 3.443(12) no . 1_554
C26 C27 3.594(12) no . 1_554
C27 O1 3.505(10) no . 2_645
C27 C16 3.570(12) no . 1_556
C27 C26 3.594(12) no . 1_556
C30 C2 3.536(11) no . .
C31 C16 3.571(15) no . 1_556
Ag1 H2 2.6442 no . .
Ag1 H6 3.4640 no . 2_655
Ag1 H10 3.5752 no . 2_645
Ag1 H12 2.6951 no . .
Ag1 H22 2.7263 no . 1_556
Ag1 H24 3.2964 no . 4_775
Ag1 H26 2.6216 no . 1_556
O5 H28A 2.7701 no . .
O5 H28B 3.1939 no . .
O5 H29A 3.1250 no . .
O5 H29B 2.8688 no . .
O6 H32A 3.1804 no . .
O6 H32B 2.6442 no . .
O6 H33A 2.8455 no . .
O6 H33B 3.0399 no . .
N1 H2 2.5782 no . .
N1 H12 2.5960 no . .
N1 H24 2.9111 no . 4_775
N1 H25 3.2335 no . 4_775
N2 H6 3.4464 no . 2_654
N2 H22 2.5860 no . .
N2 H26 2.5907 no . .
C1 H5 3.2754 no . .
C2 H6 3.2621 no . .
C3 H1 3.2704 no . .
C3 H5 3.3299 no . .
C3 H25 3.5562 no . 4_775
C4 H2 3.3238 no . .
C4 H6 3.2847 no . .
C4 H19 3.0826 no . .
C4 H23 3.0379 no . .
C4 H25 3.5797 no . 4_775
C5 H1 3.2636 no . .
C5 H23 3.4901 no . .
C6 H2 3.2735 no . .
C6 H22 3.4183 no . 2_645
C7 H5 2.7170 no . .
C7 H9 2.6703 no . .
C7 H19 2.5722 no . .
C7 H23 2.6057 no . .
C7 H25 3.2325 no . 4_775
C8 H10 3.2827 no . .
C8 H12 3.3210 no . .
C8 H19 3.0369 no . .
C8 H23 3.1620 no . .
C8 H25 2.8416 no . 4_775
C9 H11 3.2634 no . .
C9 H19 3.5637 no . .
C9 H25 3.3905 no . 4_775
C10 H12 3.2870 no . .
C10 H22 3.5282 no . 2_655
C11 H9 3.2768 no . .
C12 H10 3.2773 no . .
C12 H24 2.9675 no . 4_775
C12 H25 3.3802 no . 4_775
C13 H9 3.3228 no . .
C13 H11 3.2669 no . .
C13 H24 3.0193 no . 4_775
C13 H25 2.8504 no . 4_775
C14 H5 2.5703 no . .
C14 H9 2.6347 no . .
C14 H19 2.6613 no . .
C14 H23 2.6760 no . .
C15 H5 3.0483 no . .
C15 H9 3.1214 no . .
C15 H24 3.2762 no . .
C15 H26 3.3186 no . .
C16 H23 3.3220 no . .
C16 H25 3.2778 no . .
C17 H1 2.8594 no . 2_654
C17 H6 3.2590 no . 2_654
C17 H10 3.3767 no . 2_644
C17 H11 3.0429 no . 2_644
C17 H19 3.3355 no . .
C17 H21 3.2805 no . .
C18 H1 2.9311 no . 2_654
C18 H5 3.1243 no . .
C18 H9 3.0883 no . .
C18 H11 3.1378 no . 2_644
C18 H20 3.2777 no . .
C18 H22 3.3180 no . .
C19 H1 3.0364 no . 2_654
C19 H9 3.5764 no . .
C19 H11 3.2381 no . 2_644
C19 H21 3.2726 no . .
C20 H1 3.0553 no . 2_654
C20 H11 3.2500 no . 2_644
C20 H22 3.2680 no . .
C21 H1 2.9860 no . 2_654
C21 H6 3.4668 no . 2_654
C21 H10 3.5635 no . 2_644
C21 H11 3.1627 no . 2_644
C21 H19 3.2796 no . .
C22 H1 2.8862 no . 2_654
C22 H6 2.8111 no . 2_654
C22 H10 2.9210 no . 2_644
C22 H11 3.0543 no . 2_644
C22 H20 3.2616 no . .
C23 H5 3.4978 no . .
C23 H25 3.2550 no . .
C23 H25 3.2270 no . 4_775
C23 H26 3.2940 no . 4_775
C24 H26 3.2757 no . .
C24 H26 3.2213 no . 4_775
C25 H23 3.2639 no . .
C25 H23 3.0198 no . 4_774
C26 H23 3.2124 no . 4_774
C26 H24 3.2682 no . .
C26 H24 3.4889 no . 4_774
C27 H29A 3.1889 no . .
C27 H29B 2.7458 no . .
C27 H30A 2.9930 no . .
C27 H30B 2.9710 no . .
C28 H30A 2.8659 no . .
C28 H30B 3.1398 no . .
C29 H27A 2.7362 no . .
C29 H27B 3.1891 no . .
C30 H27A 2.8189 no . .
C30 H27B 3.1070 no . .
C30 H28A 2.7711 no . .
C30 H28B 3.1885 no . .
C31 H33A 2.7512 no . .
C31 H33B 3.2546 no . .
C31 H34A 2.7717 no . .
C31 H34B 2.9224 no . .
C32 H34A 2.9542 no . .
C32 H34B 2.6912 no . .
C33 H31A 3.2529 no . .
C33 H31B 2.7189 no . .
C34 H31A 3.0083 no . .
C34 H31B 2.6257 no . .
C34 H32A 3.0139 no . .
C34 H32B 2.5635 no . .
H1 H2 2.2931 no . .
H1 H6 2.3628 no . .
H1 H9 3.1425 no . 2_645
H1 H21 3.5491 no . 2_645
H1 H22 3.4087 no . 2_645
H2 H9 3.3432 no . 2_645
H2 H10 3.3792 no . 2_645
H5 H6 2.2946 no . .
H5 H11 3.2240 no . 2_644
H5 H12 3.3663 no . 2_644
H5 H23 3.4601 no . .
H6 H12 3.2624 no . 2_644
H6 H22 2.5910 no . 2_645
H9 H10 2.3099 no . .
H9 H19 3.5522 no . .
H10 H11 2.3759 no . .
H10 H22 2.6838 no . 2_655
H11 H12 2.2844 no . .
H11 H22 3.5351 no . 2_655
H12 H24 2.8160 no . 4_775
H19 H20 2.3073 no . .
H20 H21 2.3579 no . .
H21 H22 2.3045 no . .
H23 H24 2.2882 no . .
H23 H25 2.3705 no . 4_775
H23 H26 2.7705 no . 4_775
H24 H25 2.3651 no . .
H24 H26 2.6247 no . 4_775
H25 H26 2.3023 no . .
H27A H28A 2.8823 no . .
H27A H28B 2.3075 no . .
H27A H29B 2.7949 no . .
H27A H30B 3.2121 no . .
H27B H28A 2.3149 no . .
H27B H28B 2.5827 no . .
H28A H29A 2.2830 no . .
H28A H29B 2.8582 no . .
H28A H30A 2.9693 no . .
H28B H29A 2.5685 no . .
H28B H29B 2.2767 no . .
H29A H30A 2.1795 no . .
H29A H30B 2.5795 no . .
H29B H30A 2.7757 no . .
H29B H30B 2.1836 no . .
H31A H32A 2.6584 no . .
H31A H32B 2.4576 no . .
H31A H34B 3.5960 no . .
H31B H32A 2.4629 no . .
H31B H32B 2.9890 no . .
H31B H33A 2.7319 no . .
H31B H34A 2.9176 no . .
H31B H34B 3.5287 no . .
H32A H33A 2.2989 no . .
H32A H33B 2.5671 no . .
H32B H33A 2.8686 no . .
H32B H33B 2.2976 no . .
H32B H34A 3.5004 no . .
H32B H34B 2.7632 no . .
H33A H34A 2.0457 no . .
H33A H34B 2.6576 no . .
H33B H34A 2.4693 no . .
H33B H34B 2.0237 no . .
Cl1 H22 2.9766 no . 1_556
Cl1 H27A 3.4137 no . 2_654
Cl1 H28B 3.0170 no . 2_654
Cl1 H31B 3.3765 no . 2_644
Cl1 H32A 3.3915 no . 2_644
O1 H5 3.5170 no . 2_655
O1 H6 2.6080 no . 2_655
O1 H12 3.1673 no . .
O1 H22 2.5773 no . 1_556
O1 H27A 3.0100 no . 2_654
O1 H27B 3.4801 no . 2_654
O1 H28B 2.9058 no . 2_654
O1 H33B 3.5042 no . 3_475
O2 H20 2.3528 no . 4_675
O2 H21 2.8944 no . 4_675
O2 H22 3.4097 no . 1_556
O2 H28B 2.6716 no . 2_654
O2 H29A 3.4693 no . 3_465
O2 H29B 3.0102 no . 3_465
O2 H30B 3.5134 no . 3_465
O2 H32A 2.8140 no . 2_644
O2 H33A 3.4158 no . 2_644
O3 H19 2.4906 no . .
O3 H27A 2.8057 no . 2_654
O3 H28B 3.0564 no . 2_654
O3 H29B 3.4530 no . 2_654
O3 H31B 2.9249 no . 2_644
O3 H32A 3.4862 no . 2_644
O3 H33A 2.8735 no . 2_644
O4 H2 3.0344 no . .
O4 H9 3.5201 no . 2_645
O4 H10 2.5356 no . 2_645
O4 H22 2.5665 no . 1_556
O4 H29A 3.4010 no . 3_465
O4 H31B 2.9468 no . 2_644
O4 H32A 3.3959 no . 2_644
O5 H2 2.4348 no . .
O5 H26 2.9366 no . 1_556
O6 H12 2.6011 no . .
O6 H24 3.1363 no . 4_775
O6 H26 3.2396 no . 1_556
N2 H27B 3.2039 no . 1_554
N2 H31A 3.1519 no . 1_554
C1 H30B 3.1648 no . .
C1 H31B 3.2396 no . 2_644
C1 H32B 3.4623 no . 4_774
C1 H33B 3.5734 no . 4_774
C2 H30B 3.0578 no . .
C2 H31B 3.4129 no . 2_644
C2 H32B 3.4310 no . 4_774
C3 H32B 3.5425 no . 4_774
C5 H31B 3.5382 no . 2_644
C5 H33B 3.3251 no . 4_774
C6 H31B 3.3048 no . 2_644
C6 H33B 3.0079 no . 4_774
C8 H27A 3.3246 no . 2_654
C9 H27A 3.2207 no . 2_654
C9 H29A 3.5772 no . 4_774
C10 H27A 3.2267 no . 2_654
C10 H27B 3.4839 no . 2_654
C10 H29A 2.9155 no . 4_774
C11 H27A 3.3111 no . 2_654
C11 H27B 3.2825 no . 2_654
C11 H29A 3.4100 no . 4_774
C11 H34A 3.2093 no . .
C12 H27A 3.4043 no . 2_654
C12 H34A 3.3517 no . .
C13 H27A 3.4063 no . 2_654
C15 H27B 3.2325 no . 1_554
C15 H31A 3.0481 no . 1_554
C16 H27B 2.9143 no . 1_554
C16 H31A 2.7363 no . 1_554
C19 H33A 3.5380 no . 2_644
C19 H34A 3.2053 no . 2_644
C20 H29B 3.2570 no . 2_654
C20 H30B 3.3073 no . 2_654
C20 H33A 3.3322 no . 2_644
C20 H34A 3.0014 no . 2_644
C21 H28B 3.3962 no . 3_464
C21 H29A 3.3539 no . 3_464
C21 H29B 3.4811 no . 3_464
C23 H28A 3.5841 no . 1_554
C23 H31A 3.5838 no . 1_554
C23 H34B 3.0432 no . 4_774
C24 H28A 3.1541 no . 1_554
C24 H34B 2.9239 no . 4_774
C25 H28A 3.0015 no . 1_554
C25 H30A 3.4959 no . 1_554
C25 H31A 3.5197 no . 1_554
C25 H32B 3.4599 no . 1_554
C26 H27B 3.2757 no . 1_554
C26 H28A 3.3001 no . 1_554
C26 H30A 3.2224 no . 1_554
C26 H31A 3.0207 no . 1_554
C28 H21 3.3600 no . 3_566
C28 H34B 3.4734 no . 4_775
C29 H20 3.4455 no . 2_645
C29 H21 3.0819 no . 3_566
C30 H2 2.9729 no . .
C30 H26 3.3256 no . 1_556
C30 H32A 3.0990 no . 4_774
C32 H30A 3.5226 no . 4_775
C32 H30B 3.1783 no . 4_775
C33 H20 3.4020 no . 2_655
C33 H21 3.4578 no . 3_576
C34 H11 3.4652 no . .
C34 H12 3.1669 no . .
C34 H20 3.5985 no . 2_655
C34 H24 3.3568 no . 4_775
C34 H28A 3.4502 no . 4_774
H1 H30B 2.9005 no . .
H2 O4 3.0344 no . .
H2 O5 2.4348 no . .
H2 C30 2.9729 no . .
H2 H30A 3.2447 no . .
H2 H30B 2.7050 no . .
H5 O1 3.5170 no . 2_644
H5 H27B 2.8968 no . 1_554
H5 H33B 3.4764 no . 4_774
H6 O1 2.6080 no . 2_644
H6 H33B 2.9462 no . 4_774
H9 O4 3.5201 no . 2_654
H9 H31A 3.0272 no . 1_554
H10 O4 2.5356 no . 2_654
H10 H29A 2.6472 no . 4_774
H11 C34 3.4652 no . .
H11 H27B 3.3616 no . 2_654
H11 H29A 3.4882 no . 4_774
H11 H34A 2.6392 no . .
H12 O1 3.1673 no . .
H12 O6 2.6011 no . .
H12 C34 3.1669 no . .
H12 H34A 2.9292 no . .
H12 H34B 3.2639 no . .
H19 O3 2.4906 no . .
H19 H27A 3.1608 no . 2_654
H19 H29B 3.3373 no . 2_654
H19 H33A 3.1365 no . 2_644
H19 H34A 3.2257 no . 2_644
H20 O2 2.3528 no . 4_674
H20 C29 3.4455 no . 2_654
H20 C33 3.4020 no . 2_644
H20 C34 3.5985 no . 2_644
H20 H28B 3.3042 no . 3_464
H20 H29B 2.5666 no . 2_654
H20 H30B 3.0781 no . 2_654
H20 H33A 2.7282 no . 2_644
H20 H33B 3.5712 no . 2_644
H20 H34A 2.8782 no . 2_644
H21 O2 2.8944 no . 4_674
H21 C28 3.3600 no . 3_464
H21 C29 3.0819 no . 3_464
H21 C33 3.4578 no . 3_474
H21 H28B 2.8214 no . 3_464
H21 H29A 2.9086 no . 3_464
H21 H29B 2.6741 no . 3_464
H21 H32A 3.4375 no . 3_474
H21 H33A 2.9579 no . 3_474
H21 H33B 3.2588 no . 3_474
H22 Cl1 2.9766 no . 1_554
H22 O1 2.5773 no . 1_554
H22 O2 3.4097 no . 1_554
H22 O4 2.5665 no . 1_554
H22 H29A 3.4511 no . 3_464
H23 H32B 3.4911 no . 4_774
H23 H34B 2.9016 no . 4_774
H24 O6 3.1363 no . 4_774
H24 C34 3.3568 no . 4_774
H24 H28A 3.4758 no . 1_554
H24 H34B 2.6909 no . 4_774
H25 H28A 3.2593 no . 1_554
H25 H30A 3.2969 no . 1_554
H25 H32B 3.5267 no . 1_554
H26 O5 2.9366 no . 1_554
H26 O6 3.2396 no . 1_554
H26 C30 3.3256 no . 1_554
H26 H30A 2.7707 no . 1_554
H26 H31A 3.3923 no . 1_554
H27A Cl1 3.4137 no . 2_645
H27A O1 3.0100 no . 2_645
H27A O3 2.8057 no . 2_645
H27A C8 3.3246 no . 2_645
H27A C9 3.2207 no . 2_645
H27A C10 3.2267 no . 2_645
H27A C11 3.3111 no . 2_645
H27A C12 3.4043 no . 2_645
H27A C13 3.4063 no . 2_645
H27A H19 3.1608 no . 2_645
H27B O1 3.4801 no . 2_645
H27B N2 3.2039 no . 1_556
H27B C10 3.4839 no . 2_645
H27B C11 3.2825 no . 2_645
H27B C15 3.2325 no . 1_556
H27B C16 2.9143 no . 1_556
H27B C26 3.2757 no . 1_556
H27B H5 2.8968 no . 1_556
H27B H11 3.3616 no . 2_645
H28A C23 3.5841 no . 1_556
H28A C24 3.1541 no . 1_556
H28A C25 3.0015 no . 1_556
H28A C26 3.3001 no . 1_556
H28A C34 3.4502 no . 4_775
H28A H24 3.4758 no . 1_556
H28A H25 3.2593 no . 1_556
H28A H34A 3.2614 no . 4_775
H28A H34B 2.7299 no . 4_775
H28B Cl1 3.0170 no . 2_645
H28B O1 2.9058 no . 2_645
H28B O2 2.6716 no . 2_645
H28B O3 3.0564 no . 2_645
H28B C21 3.3962 no . 3_566
H28B H20 3.3042 no . 3_566
H28B H21 2.8214 no . 3_566
H28B H33B 3.5232 no . 4_775
H28B H34A 3.4743 no . 4_775
H28B H34B 3.3551 no . 4_775
H29A O2 3.4693 no . 3_565
H29A O4 3.4010 no . 3_565
H29A C9 3.5772 no . 4_775
H29A C10 2.9155 no . 4_775
H29A C11 3.4100 no . 4_775
H29A C21 3.3539 no . 3_566
H29A H10 2.6472 no . 4_775
H29A H11 3.4882 no . 4_775
H29A H21 2.9086 no . 3_566
H29A H22 3.4511 no . 3_566
H29B O2 3.0102 no . 3_565
H29B O3 3.4530 no . 2_645
H29B C20 3.2570 no . 2_645
H29B C21 3.4811 no . 3_566
H29B H19 3.3373 no . 2_645
H29B H20 2.5666 no . 2_645
H29B H21 2.6741 no . 3_566
H29B H33A 3.3648 no . 1_545
H30A C25 3.4959 no . 1_556
H30A C26 3.2224 no . 1_556
H30A C32 3.5226 no . 4_774
H30A H2 3.2447 no . .
H30A H25 3.2969 no . 1_556
H30A H26 2.7707 no . 1_556
H30A H32A 2.9742 no . 4_774
H30A H32B 3.2799 no . 4_774
H30B O2 3.5134 no . 3_565
H30B C1 3.1648 no . .
H30B C2 3.0578 no . .
H30B C20 3.3073 no . 2_645
H30B C32 3.1783 no . 4_774
H30B H1 2.9005 no . .
H30B H2 2.7050 no . .
H30B H20 3.0781 no . 2_645
H30B H32A 2.4368 no . 4_774
H30B H32B 3.0640 no . 4_774
H31A N2 3.1519 no . 1_556
H31A C15 3.0481 no . 1_556
H31A C16 2.7363 no . 1_556
H31A C23 3.5838 no . 1_556
H31A C25 3.5197 no . 1_556
H31A C26 3.0207 no . 1_556
H31A H9 3.0272 no . 1_556
H31A H26 3.3923 no . 1_556
H31B Cl1 3.3765 no . 2_655
H31B O3 2.9249 no . 2_655
H31B O4 2.9468 no . 2_655
H31B C1 3.2396 no . 2_655
H31B C2 3.4129 no . 2_655
H31B C5 3.5382 no . 2_655
H31B C6 3.3048 no . 2_655
H32A Cl1 3.3915 no . 2_655
H32A O2 2.8140 no . 2_655
H32A O3 3.4862 no . 2_655
H32A O4 3.3959 no . 2_655
H32A C30 3.0990 no . 4_775
H32A H21 3.4375 no . 3_576
H32A H30A 2.9742 no . 4_775
H32A H30B 2.4368 no . 4_775
H32B C1 3.4623 no . 4_775
H32B C2 3.4310 no . 4_775
H32B C3 3.5425 no . 4_775
H32B C25 3.4599 no . 1_556
H32B H23 3.4911 no . 4_775
H32B H25 3.5267 no . 1_556
H32B H30A 3.2799 no . 4_775
H32B H30B 3.0640 no . 4_775
H33A O2 3.4158 no . 2_655
H33A O3 2.8735 no . 2_655
H33A C19 3.5380 no . 2_655
H33A C20 3.3322 no . 2_655
H33A H19 3.1365 no . 2_655
H33A H20 2.7282 no . 2_655
H33A H21 2.9579 no . 3_576
H33A H29B 3.3648 no . 1_565
H33B O1 3.5042 no . 3_575
H33B C1 3.5734 no . 4_775
H33B C5 3.3251 no . 4_775
H33B C6 3.0079 no . 4_775
H33B H5 3.4764 no . 4_775
H33B H6 2.9462 no . 4_775
H33B H20 3.5712 no . 2_655
H33B H21 3.2588 no . 3_576
H33B H28B 3.5232 no . 4_774
H34A C11 3.2093 no . .
H34A C12 3.3517 no . .
H34A C19 3.2053 no . 2_655
H34A C20 3.0014 no . 2_655
H34A H11 2.6392 no . .
H34A H12 2.9292 no . .
H34A H19 3.2257 no . 2_655
H34A H20 2.8782 no . 2_655
H34A H28A 3.2614 no . 4_774
H34A H28B 3.4743 no . 4_774
H34B C23 3.0432 no . 4_775
H34B C24 2.9239 no . 4_775
H34B C28 3.4734 no . 4_774
H34B H12 3.2639 no . .
H34B H23 2.9016 no . 4_775
H34B H24 2.6909 no . 4_775
H34B H28A 2.7299 no . 4_774
H34B H28B 3.3551 no . 4_774

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_mfu125-4c
_database_code_depnum_ccdc_archive 'CCDC 1523068'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C27 H18 Ag Cl3 N2 O4'
_chemical_formula_moiety         'C27 H18 Ag Cl3 N2 O4'
_chemical_formula_weight         648.68
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
_space_group_IT_number           18
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2+X,1/2-Y,-Z
3 1/2-X,1/2+Y,-Z
4 -X,-Y,+Z
#------------------------------------------------------------------------------
_cell_length_a                   16.426(6)
_cell_length_b                   12.656(5)
_cell_length_c                   11.482(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     2387.1(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8173
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1296.00
_exptl_absorpt_coefficient_mu    1.218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.771
_exptl_absorpt_correction_T_max  0.988

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.811
_diffrn_reflns_number            40130
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_theta_max         27.630
_diffrn_reflns_theta_min         3.050
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5523
_reflns_number_gt                4983
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0254
_refine_ls_wR_factor_ref         0.0604
_refine_ls_wR_factor_gt          0.0591
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5523
_refine_ls_number_parameters     339
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0367P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.15
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 2060 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.023(12)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5 0.5 0.02561(2) 0.01518(9) Uani 1 2 d . . .
Ag2 Ag 0.5 1.0 1.13571(3) 0.01664(9) Uani 1 2 d . . .
Cl1 Cl 0.91024(5) 1.26203(7) 0.84792(10) 0.0307(2) Uani 1 4 d . . .
Cl2 Cl 0.79547(7) 1.21072(9) 0.66180(10) 0.0359(2) Uani 1 4 d . . .
Cl3 Cl 0.74324(5) 0.97314(6) 0.95567(7) 0.01591(18) Uani 1 4 d . . .
O1 O 0.75263(16) 0.8610(2) 0.9686(3) 0.0259(6) Uani 1 4 d . . .
O2 O 0.70033(17) 1.0156(3) 1.0539(2) 0.0320(7) Uani 1 4 d . . .
O3 O 0.82230(15) 1.0209(2) 0.9476(3) 0.0307(7) Uani 1 4 d . . .
O4 O 0.69916(15) 0.9948(3) 0.8505(2) 0.0286(5) Uani 1 4 d . . .
N1 N 0.5 1.0 0.9483(3) 0.0118(6) Uani 1 2 d . . .
N2 N 0.5 1.0 0.3234(3) 0.0126(7) Uani 1 2 d . . .
N3 N 0.5 0.5 0.2141(3) 0.0115(6) Uani 1 2 d . . .
N4 N 0.5 0.5 0.8374(3) 0.0119(6) Uani 1 2 d . . .
C1 C 0.43578(19) 0.8310(3) 0.9519(3) 0.0122(6) Uani 1 4 d . . .
C2 C 0.4037(2) 0.7467(3) 0.8948(3) 0.0143(7) Uani 1 4 d . . .
C3 C 0.4061(2) 0.7412(3) 0.7726(3) 0.0120(6) Uani 1 4 d . . .
C4 C 0.43921(18) 0.8207(3) 0.7078(3) 0.0112(6) Uani 1 4 d . . .
C5 C 0.47063(17) 0.9126(3) 0.7641(3) 0.0095(6) Uani 1 4 d . . .
C6 C 0.47024(18) 0.9164(3) 0.8888(3) 0.0108(6) Uani 1 4 d . . .
C7 C 0.5 1.0 0.7012(3) 0.0103(7) Uani 1 2 d . . .
C8 C 0.5 1.0 0.5714(3) 0.0098(7) Uani 1 2 d . . .
C9 C 0.57364(17) 0.9961(3) 0.5086(3) 0.0105(5) Uani 1 4 d . . .
C10 C 0.57101(17) 0.9981(3) 0.3837(3) 0.0119(5) Uani 1 4 d . . .
C11 C 0.64518(17) 0.9978(3) 0.3199(3) 0.0147(6) Uani 1 4 d . . .
C12 C 0.71786(17) 0.9962(4) 0.3764(3) 0.0160(6) Uani 1 4 d . . .
C13 C 0.72101(18) 0.9929(4) 0.4994(3) 0.0157(6) Uani 1 4 d . . .
C14 C 0.65128(17) 0.9927(3) 0.5650(3) 0.0120(6) Uani 1 4 d . . .
C15 C 0.5 0.5 0.4609(3) 0.0096(7) Uani 1 2 d . . .
C16 C 0.45397(18) 0.5745(3) 0.3981(3) 0.0100(6) Uani 1 4 d . . .
C17 C 0.45552(18) 0.5722(3) 0.2738(3) 0.0101(6) Uani 1 4 d . . .
C18 C 0.40892(19) 0.6476(3) 0.2113(3) 0.0125(6) Uani 1 4 d . . .
C19 C 0.3649(2) 0.7217(3) 0.2676(3) 0.0152(7) Uani 1 4 d . . .
C20 C 0.3632(2) 0.7258(3) 0.3917(3) 0.0142(7) Uani 1 4 d . . .
C21 C 0.40632(19) 0.6533(3) 0.4549(3) 0.0115(6) Uani 1 4 d . . .
C22 C 0.5 0.5 0.5907(3) 0.0096(7) Uani 1 2 d . . .
C23 C 0.54769(18) 0.5726(2) 0.6528(3) 0.0100(6) Uani 1 4 d . . .
C24 C 0.54662(18) 0.5698(3) 0.7774(3) 0.0109(6) Uani 1 4 d . . .
C25 C 0.59467(19) 0.6439(3) 0.8401(3) 0.0160(7) Uani 1 4 d . . .
C26 C 0.6397(2) 0.7173(3) 0.7821(3) 0.0177(7) Uani 1 4 d . . .
C27 C 0.64054(19) 0.7209(3) 0.6590(3) 0.0163(7) Uani 1 4 d . . .
C28 C 0.59622(19) 0.6506(3) 0.5955(3) 0.0125(6) Uani 1 4 d . . .
C29 C 0.8069(2) 1.2476(3) 0.8094(3) 0.0210(8) Uani 1 4 d . . .
H1 H 0.43515 0.83278 1.03284 0.0146 Uiso 1 4 calc R . .
H2 H 0.37987 0.69214 0.93698 0.0172 Uiso 1 4 calc R . .
H3 H 0.38481 0.68216 0.73518 0.0144 Uiso 1 4 calc R . .
H4 H 0.44129 0.81497 0.62712 0.0134 Uiso 1 4 calc R . .
H11 H 0.64394 0.99873 0.2389 0.0176 Uiso 1 4 calc R . .
H12 H 0.76599 0.99725 0.33376 0.0192 Uiso 1 4 calc R . .
H13 H 0.77132 0.99075 0.53647 0.0189 Uiso 1 4 calc R . .
H14 H 0.65441 0.99036 0.64581 0.0144 Uiso 1 4 calc R . .
H18 H 0.40871 0.64587 0.13037 0.0150 Uiso 1 4 calc R . .
H19 H 0.33518 0.77082 0.22482 0.0183 Uiso 1 4 calc R . .
H20 H 0.33287 0.77751 0.42947 0.0170 Uiso 1 4 calc R . .
H21 H 0.40456 0.65546 0.53584 0.0139 Uiso 1 4 calc R . .
H25 H 0.59536 0.64223 0.92106 0.0192 Uiso 1 4 calc R . .
H26 H 0.67042 0.7658 0.82415 0.0213 Uiso 1 4 calc R . .
H27 H 0.67163 0.77178 0.62114 0.0195 Uiso 1 4 calc R . .
H28 H 0.59753 0.65328 0.51455 0.0150 Uiso 1 4 calc R . .
H29A H 0.77867 1.31381 0.82279 0.0252 Uiso 1 4 calc R . .
H29B H 0.78207 1.19425 0.85855 0.0252 Uiso 1 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 N3 2.164(4) yes . .
Ag1 N4 2.161(4) yes . 1_554
Ag2 N1 2.152(4) yes . .
Ag2 N2 2.155(4) yes . 1_556
Cl1 C29 1.764(4) yes . .
Cl2 C29 1.767(4) yes . .
Cl3 O1 1.436(3) yes . .
Cl3 O2 1.434(3) yes . .
Cl3 O3 1.435(3) yes . .
Cl3 O4 1.434(3) yes . .
N1 C6 1.351(4) yes . .
N1 C6 1.351(4) yes . 4_675
N2 C10 1.357(3) yes . .
N2 C10 1.357(3) yes . 4_675
N3 C17 1.357(4) yes . .
N3 C17 1.357(4) yes . 4_665
N4 C24 1.357(4) yes . .
N4 C24 1.357(4) yes . 4_665
C1 C2 1.359(5) yes . .
C1 C6 1.419(5) yes . .
C2 C3 1.405(5) yes . .
C3 C4 1.364(5) yes . .
C4 C5 1.427(4) yes . .
C5 C6 1.433(5) yes . .
C5 C7 1.407(4) yes . .
C7 C8 1.490(5) yes . .
C8 C9 1.409(3) yes . .
C8 C9 1.409(3) yes . 4_675
C9 C10 1.434(4) yes . .
C9 C14 1.431(4) yes . .
C10 C11 1.422(4) yes . .
C11 C12 1.359(4) yes . .
C12 C13 1.414(5) yes . .
C13 C14 1.371(4) yes . .
C15 C16 1.407(4) yes . .
C15 C16 1.407(4) yes . 4_665
C15 C22 1.490(5) yes . .
C16 C17 1.427(5) yes . .
C16 C21 1.426(5) yes . .
C17 C18 1.418(4) yes . .
C18 C19 1.350(5) yes . .
C19 C20 1.426(5) yes . .
C20 C21 1.368(5) yes . .
C22 C23 1.402(4) yes . .
C22 C23 1.402(4) yes . 4_665
C23 C24 1.432(5) yes . .
C23 C28 1.429(4) yes . .
C24 C25 1.421(5) yes . .
C25 C26 1.361(5) yes . .
C26 C27 1.414(5) yes . .
C27 C28 1.362(5) yes . .
C1 H1 0.930 no . .
C2 H2 0.930 no . .
C3 H3 0.930 no . .
C4 H4 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C13 H13 0.930 no . .
C14 H14 0.930 no . .
C18 H18 0.930 no . .
C19 H19 0.930 no . .
C20 H20 0.930 no . .
C21 H21 0.930 no . .
C25 H25 0.930 no . .
C26 H26 0.930 no . .
C27 H27 0.930 no . .
C28 H28 0.930 no . .
C29 H29A 0.970 no . .
C29 H29B 0.970 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N3 Ag1 N4 180.000(4) yes . . 1_554
N1 Ag2 N2 180.000 yes . . 1_556
O1 Cl3 O2 109.98(18) yes . . .
O1 Cl3 O3 109.01(16) yes . . .
O1 Cl3 O4 109.29(19) yes . . .
O2 Cl3 O3 109.73(18) yes . . .
O2 Cl3 O4 110.01(17) yes . . .
O3 Cl3 O4 108.80(18) yes . . .
Ag2 N1 C6 120.40(19) yes . . .
Ag2 N1 C6 120.40(19) yes . . 4_675
C6 N1 C6 119.2(3) yes . . 4_675
Ag2 N2 C10 120.71(17) yes 1_554 . .
Ag2 N2 C10 120.71(17) yes 1_554 . 4_675
C10 N2 C10 118.6(3) yes . . 4_675
Ag1 N3 C17 120.38(19) yes . . .
Ag1 N3 C17 120.38(19) yes . . 4_665
C17 N3 C17 119.2(3) yes . . 4_665
Ag1 N4 C24 120.48(19) yes 1_556 . .
Ag1 N4 C24 120.48(19) yes 1_556 . 4_665
C24 N4 C24 119.0(3) yes . . 4_665
C2 C1 C6 120.4(3) yes . . .
C1 C2 C3 120.7(3) yes . . .
C2 C3 C4 121.3(3) yes . . .
C3 C4 C5 119.9(3) yes . . .
C4 C5 C6 118.6(3) yes . . .
C4 C5 C7 122.2(3) yes . . .
C6 C5 C7 119.2(3) yes . . .
N1 C6 C1 118.8(3) yes . . .
N1 C6 C5 122.0(3) yes . . .
C1 C6 C5 119.1(3) yes . . .
C5 C7 C5 118.2(3) yes . . 4_675
C5 C7 C8 120.88(18) yes . . .
C5 C7 C8 120.88(18) yes 4_675 . .
C7 C8 C9 120.80(17) yes . . .
C7 C8 C9 120.80(17) yes . . 4_675
C9 C8 C9 118.4(3) yes . . 4_675
C8 C9 C10 119.0(3) yes . . .
C8 C9 C14 122.3(3) yes . . .
C10 C9 C14 118.7(3) yes . . .
N2 C10 C9 122.5(3) yes . . .
N2 C10 C11 118.2(3) yes . . .
C9 C10 C11 119.3(3) yes . . .
C10 C11 C12 120.4(3) yes . . .
C11 C12 C13 120.6(3) yes . . .
C12 C13 C14 121.2(3) yes . . .
C9 C14 C13 119.7(3) yes . . .
C16 C15 C16 118.4(3) yes . . 4_665
C16 C15 C22 120.81(18) yes . . .
C16 C15 C22 120.81(18) yes 4_665 . .
C15 C16 C17 119.3(3) yes . . .
C15 C16 C21 122.0(3) yes . . .
C17 C16 C21 118.8(3) yes . . .
N3 C17 C16 121.9(3) yes . . .
N3 C17 C18 119.2(3) yes . . .
C16 C17 C18 118.9(3) yes . . .
C17 C18 C19 121.0(3) yes . . .
C18 C19 C20 120.9(3) yes . . .
C19 C20 C21 119.7(3) yes . . .
C16 C21 C20 120.7(3) yes . . .
C15 C22 C23 120.57(18) yes . . .
C15 C22 C23 120.57(18) yes . . 4_665
C23 C22 C23 118.9(3) yes . . 4_665
C22 C23 C24 119.0(3) yes . . .
C22 C23 C28 122.0(3) yes . . .
C24 C23 C28 119.0(3) yes . . .
N4 C24 C23 122.0(3) yes . . .
N4 C24 C25 119.1(3) yes . . .
C23 C24 C25 118.9(3) yes . . .
C24 C25 C26 120.3(3) yes . . .
C25 C26 C27 121.1(3) yes . . .
C26 C27 C28 120.6(3) yes . . .
C23 C28 C27 120.2(3) yes . . .
Cl1 C29 Cl2 111.7(2) yes . . .
C2 C1 H1 119.787 no . . .
C6 C1 H1 119.782 no . . .
C1 C2 H2 119.674 no . . .
C3 C2 H2 119.675 no . . .
C2 C3 H3 119.378 no . . .
C4 C3 H3 119.363 no . . .
C3 C4 H4 120.053 no . . .
C5 C4 H4 120.049 no . . .
C10 C11 H11 119.790 no . . .
C12 C11 H11 119.794 no . . .
C11 C12 H12 119.676 no . . .
C13 C12 H12 119.682 no . . .
C12 C13 H13 119.391 no . . .
C14 C13 H13 119.390 no . . .
C9 C14 H14 120.132 no . . .
C13 C14 H14 120.145 no . . .
C17 C18 H18 119.507 no . . .
C19 C18 H18 119.503 no . . .
C18 C19 H19 119.548 no . . .
C20 C19 H19 119.548 no . . .
C19 C20 H20 120.132 no . . .
C21 C20 H20 120.118 no . . .
C16 C21 H21 119.640 no . . .
C20 C21 H21 119.650 no . . .
C24 C25 H25 119.865 no . . .
C26 C25 H25 119.859 no . . .
C25 C26 H26 119.451 no . . .
C27 C26 H26 119.459 no . . .
C26 C27 H27 119.702 no . . .
C28 C27 H27 119.700 no . . .
C23 C28 H28 119.916 no . . .
C27 C28 H28 119.917 no . . .
Cl1 C29 H29A 109.273 no . . .
Cl1 C29 H29B 109.279 no . . .
Cl2 C29 H29A 109.270 no . . .
Cl2 C29 H29B 109.280 no . . .
H29A C29 H29B 107.946 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ag2 N1 C6 C1 2.8(3) no . . . .
Ag2 N1 C6 C5 -178.76(15) no . . . .
Ag2 N1 C6 C1 2.8(3) no . . 4_675 4_675
Ag2 N1 C6 C5 -178.76(15) no . . 4_675 4_675
C6 N1 C6 C1 -177.2(2) no . . 4_675 4_675
C6 N1 C6 C5 1.2(3) no . . 4_675 4_675
C6 N1 C6 C1 -177.2(2) no 4_675 . . .
C6 N1 C6 C5 1.2(3) no 4_675 . . .
Ag2 N2 C10 C9 -178.8(2) no 1_554 . . .
Ag2 N2 C10 C11 0.9(4) no 1_554 . . .
Ag2 N2 C10 C9 -178.8(2) no 1_554 . 4_675 4_675
Ag2 N2 C10 C11 0.9(4) no 1_554 . 4_675 4_675
C10 N2 C10 C9 1.2(4) no . . 4_675 4_675
C10 N2 C10 C11 -179.1(3) no . . 4_675 4_675
C10 N2 C10 C9 1.2(4) no 4_675 . . .
C10 N2 C10 C11 -179.1(3) no 4_675 . . .
Ag1 N3 C17 C16 179.91(15) no . . . .
Ag1 N3 C17 C18 0.1(3) no . . . .
Ag1 N3 C17 C16 179.91(15) no . . 4_665 4_665
Ag1 N3 C17 C18 0.1(3) no . . 4_665 4_665
C17 N3 C17 C16 -0.1(3) no . . 4_665 4_665
C17 N3 C17 C18 -179.9(2) no . . 4_665 4_665
C17 N3 C17 C16 -0.1(3) no 4_665 . . .
C17 N3 C17 C18 -179.9(2) no 4_665 . . .
Ag1 N4 C24 C23 -179.55(15) no 1_556 . . .
Ag1 N4 C24 C25 -0.8(3) no 1_556 . . .
Ag1 N4 C24 C23 -179.55(15) no 1_556 . 4_665 4_665
Ag1 N4 C24 C25 -0.8(3) no 1_556 . 4_665 4_665
C24 N4 C24 C23 0.5(3) no . . 4_665 4_665
C24 N4 C24 C25 179.2(2) no . . 4_665 4_665
C24 N4 C24 C23 0.5(3) no 4_665 . . .
C24 N4 C24 C25 179.2(2) no 4_665 . . .
C2 C1 C6 N1 178.6(3) no . . . .
C2 C1 C6 C5 0.1(4) no . . . .
C6 C1 C2 C3 1.8(5) no . . . .
C1 C2 C3 C4 -1.3(5) no . . . .
C2 C3 C4 C5 -1.3(5) no . . . .
C3 C4 C5 C6 3.1(4) no . . . .
C3 C4 C5 C7 -175.3(3) no . . . .
C4 C5 C6 N1 179.0(2) no . . . .
C4 C5 C6 C1 -2.5(4) no . . . .
C4 C5 C7 C5 179.6(2) no . . . 4_675
C4 C5 C7 C8 -0.4(3) no . . . .
C6 C5 C7 C5 1.2(3) no . . . 4_675
C6 C5 C7 C8 -178.84(19) no . . . .
C7 C5 C6 N1 -2.5(4) no . . . .
C7 C5 C6 C1 175.98(19) no . . . .
C5 C7 C8 C9 -111.24(14) no . . . .
C5 C7 C8 C9 68.76(14) no . . . 4_675
C5 C7 C8 C9 68.76(14) no 4_675 . . .
C5 C7 C8 C9 -111.24(14) no 4_675 . . 4_675
C7 C8 C9 C10 -178.93(18) no . . . .
C7 C8 C9 C14 -0.4(4) no . . . .
C7 C8 C9 C10 -178.93(18) no . . 4_675 4_675
C7 C8 C9 C14 -0.4(4) no . . 4_675 4_675
C9 C8 C9 C10 1.1(4) no . . 4_675 4_675
C9 C8 C9 C14 179.6(3) no . . 4_675 4_675
C9 C8 C9 C10 1.1(4) no 4_675 . . .
C9 C8 C9 C14 179.6(3) no 4_675 . . .
C8 C9 C10 N2 -2.3(5) no . . . .
C8 C9 C10 C11 177.9(3) no . . . .
C8 C9 C14 C13 -177.7(3) no . . . .
C10 C9 C14 C13 0.9(5) no . . . .
C14 C9 C10 N2 179.1(3) no . . . .
C14 C9 C10 C11 -0.7(5) no . . . .
N2 C10 C11 C12 179.9(3) no . . . .
C9 C10 C11 C12 -0.3(6) no . . . .
C10 C11 C12 C13 1.1(6) no . . . .
C11 C12 C13 C14 -0.9(7) no . . . .
C12 C13 C14 C9 -0.1(6) no . . . .
C16 C15 C16 C17 -0.1(3) no . . 4_665 4_665
C16 C15 C16 C21 -179.4(2) no . . 4_665 4_665
C16 C15 C16 C17 -0.1(3) no 4_665 . . .
C16 C15 C16 C21 -179.4(2) no 4_665 . . .
C16 C15 C22 C23 -79.17(15) no . . . .
C16 C15 C22 C23 100.83(15) no . . . 4_665
C22 C15 C16 C17 179.91(14) no . . . .
C22 C15 C16 C21 0.6(3) no . . . .
C16 C15 C22 C23 100.83(15) no 4_665 . . .
C16 C15 C22 C23 -79.17(15) no 4_665 . . 4_665
C22 C15 C16 C17 179.91(14) no . . 4_665 4_665
C22 C15 C16 C21 0.6(3) no . . 4_665 4_665
C15 C16 C17 N3 0.2(4) no . . . .
C15 C16 C17 C18 180.0(2) no . . . .
C15 C16 C21 C20 179.0(2) no . . . .
C17 C16 C21 C20 -0.3(4) no . . . .
C21 C16 C17 N3 179.5(3) no . . . .
C21 C16 C17 C18 -0.7(4) no . . . .
N3 C17 C18 C19 -179.0(2) no . . . .
C16 C17 C18 C19 1.2(4) no . . . .
C17 C18 C19 C20 -0.7(5) no . . . .
C18 C19 C20 C21 -0.4(5) no . . . .
C19 C20 C21 C16 0.9(5) no . . . .
C15 C22 C23 C24 -179.57(13) no . . . .
C15 C22 C23 C28 1.6(3) no . . . .
C15 C22 C23 C24 -179.57(13) no . . 4_665 4_665
C15 C22 C23 C28 1.6(3) no . . 4_665 4_665
C23 C22 C23 C24 0.4(3) no . . 4_665 4_665
C23 C22 C23 C28 -178.4(2) no . . 4_665 4_665
C23 C22 C23 C24 0.4(3) no 4_665 . . .
C23 C22 C23 C28 -178.4(2) no 4_665 . . .
C22 C23 C24 N4 -0.9(4) no . . . .
C22 C23 C24 C25 -179.7(2) no . . . .
C22 C23 C28 C27 178.8(2) no . . . .
C24 C23 C28 C27 -0.1(4) no . . . .
C28 C23 C24 N4 178.0(3) no . . . .
C28 C23 C24 C25 -0.8(4) no . . . .
N4 C24 C25 C26 -177.6(2) no . . . .
C23 C24 C25 C26 1.2(4) no . . . .
C24 C25 C26 C27 -0.7(5) no . . . .
C25 C26 C27 C28 -0.1(5) no . . . .
C26 C27 C28 C23 0.5(5) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 C18 3.205(3) no . .
Ag1 C18 3.205(3) no . 4_665
Ag1 C25 3.205(4) no . 1_554
Ag1 C25 3.205(4) no . 4_664
Ag2 C1 3.185(4) no . .
Ag2 C1 3.185(4) no . 4_675
Ag2 C11 3.187(3) no . 1_556
Ag2 C11 3.187(3) no . 4_676
N1 C1 2.385(3) no . 4_675
N1 C5 2.436(4) no . 4_675
N1 C7 2.837(5) no . .
N2 C8 2.848(5) no . .
N2 C9 2.447(4) no . 4_675
N2 C11 2.385(3) no . 4_675
N3 C15 2.834(5) no . .
N3 C16 2.434(4) no . 4_665
N3 C18 2.393(3) no . 4_665
N4 C22 2.833(5) no . .
N4 C23 2.439(4) no . 4_665
N4 C25 2.395(3) no . 4_665
C1 C4 2.806(5) no . .
C2 C5 2.805(5) no . .
C3 C6 2.794(5) no . .
C4 C8 2.933(4) no . .
C4 C9 3.264(5) no . 4_675
C4 C14 3.237(5) no . 4_675
C5 C6 2.771(5) no . 4_675
C5 C9 3.548(4) no . .
C5 C9 3.236(5) no . 4_675
C5 C14 3.267(4) no . 4_675
C7 C14 2.938(3) no . .
C7 C14 2.938(3) no . 4_675
C8 C10 2.450(4) no . 4_675
C8 C14 2.488(3) no . 4_675
C9 C10 2.776(4) no . 4_675
C9 C12 2.813(4) no . .
C10 C13 2.800(4) no . .
C11 C14 2.817(4) no . .
C15 C17 2.446(5) no . 4_665
C15 C21 2.477(3) no . 4_665
C15 C28 2.918(4) no . .
C15 C28 2.918(4) no . 4_665
C16 C17 2.774(5) no . 4_665
C16 C19 2.804(5) no . .
C16 C23 3.305(5) no . .
C16 C23 3.467(5) no . 4_665
C16 C28 3.394(5) no . .
C17 C20 2.812(5) no . .
C18 C21 2.798(5) no . .
C21 C22 2.926(4) no . .
C21 C23 3.406(5) no . .
C21 C28 3.512(5) no . .
C22 C24 2.442(5) no . 4_665
C22 C28 2.476(3) no . 4_665
C23 C24 2.775(4) no . 4_665
C23 C26 2.800(5) no . .
C24 C27 2.808(5) no . .
C25 C28 2.810(5) no . .
Ag1 O3 2.947(3) no . 2_466
Ag1 O3 2.947(3) no . 3_646
Ag2 Cl1 3.3586(15) no . 2_477
Ag2 Cl1 3.3586(15) no . 3_647
Ag2 O2 3.428(3) no . .
Ag2 O2 3.428(3) no . 4_675
Cl1 Ag2 3.3586(15) no . 2_577
Cl1 O3 3.565(3) no . .
Cl1 C1 3.528(4) no . 3_657
Cl1 C17 3.548(3) no . 3_656
Cl1 C18 3.374(3) no . 3_656
Cl2 C3 3.600(4) no . 4_675
Cl2 C13 3.546(4) no . .
Cl2 C28 3.531(4) no . 3_656
O1 C2 3.236(4) no . 2_567
O1 C18 3.297(4) no . 2_566
O1 C19 3.442(5) no . 2_566
O1 C26 3.367(5) no . .
O1 C29 3.084(5) no . 3_647
O2 Ag2 3.428(3) no . .
O2 N1 3.512(3) no . .
O2 C1 3.184(5) no . 4_675
O2 C6 3.491(4) no . 4_675
O2 C11 3.194(4) no . 1_556
O3 Ag1 2.947(3) no . 2_566
O3 Cl1 3.565(3) no . .
O3 N3 3.470(3) no . 2_566
O3 C17 3.556(4) no . 2_566
O3 C18 3.147(4) no . 2_566
O3 C25 3.198(5) no . 3_657
O3 C29 3.289(5) no . .
O4 N1 3.459(3) no . .
O4 C1 3.336(4) no . 4_675
O4 C5 3.184(4) no . 4_675
O4 C6 3.033(4) no . 4_675
O4 C14 3.372(4) no . .
N1 O2 3.512(3) no . .
N1 O2 3.512(3) no . 4_675
N1 O4 3.459(3) no . .
N1 O4 3.459(3) no . 4_675
N3 O3 3.470(3) no . 2_466
N3 O3 3.470(3) no . 3_646
N4 C2 3.562(4) no . .
N4 C2 3.562(4) no . 4_665
N4 C3 3.499(4) no . .
N4 C3 3.499(4) no . 4_665
C1 Cl1 3.528(4) no . 3_647
C1 O2 3.184(5) no . 4_675
C1 O4 3.336(4) no . 4_675
C2 O1 3.236(4) no . 2_467
C2 N4 3.562(4) no . .
C2 C24 3.513(5) no . .
C2 C25 3.454(5) no . .
C2 C29 3.596(5) no . 4_675
C3 Cl2 3.600(4) no . 4_675
C3 N4 3.499(4) no . .
C3 C23 3.442(5) no . .
C3 C24 3.167(5) no . .
C3 C25 3.421(5) no . .
C3 C29 3.527(5) no . 4_675
C4 C27 3.584(4) no . .
C4 C28 3.599(5) no . .
C5 O4 3.184(4) no . 4_675
C6 O2 3.491(4) no . 4_675
C6 O4 3.033(4) no . 4_675
C11 O2 3.194(4) no . 1_554
C11 C20 3.597(5) no . 4_675
C11 C29 3.585(5) no . 3_646
C13 Cl2 3.546(4) no . .
C14 O4 3.372(4) no . .
C17 Cl1 3.548(3) no . 3_646
C17 O3 3.556(4) no . 2_466
C18 Cl1 3.374(3) no . 3_646
C18 O1 3.297(4) no . 2_466
C18 O3 3.147(4) no . 2_466
C19 O1 3.442(5) no . 2_466
C20 C11 3.597(5) no . 4_675
C23 C3 3.442(5) no . .
C24 C2 3.513(5) no . .
C24 C3 3.167(5) no . .
C25 O3 3.198(5) no . 3_647
C25 C2 3.454(5) no . .
C25 C3 3.421(5) no . .
C26 O1 3.367(5) no . .
C27 C4 3.584(4) no . .
C28 Cl2 3.531(4) no . 3_646
C28 C4 3.599(5) no . .
C29 O1 3.084(5) no . 3_657
C29 O3 3.289(5) no . .
C29 C2 3.596(5) no . 4_675
C29 C3 3.527(5) no . 4_675
C29 C11 3.585(5) no . 3_656
Ag1 H18 2.6653 no . .
Ag1 H18 2.6653 no . 4_665
Ag1 H25 2.6712 no . 1_554
Ag1 H25 2.6712 no . 4_664
Ag2 H1 2.6474 no . .
Ag2 H1 2.6474 no . 4_675
Ag2 H11 2.6447 no . 1_556
Ag2 H11 2.6447 no . 4_676
N1 H1 2.5605 no . .
N1 H1 2.5605 no . 4_675
N2 H11 2.5558 no . .
N2 H11 2.5558 no . 4_675
N3 H18 2.5654 no . .
N3 H18 2.5654 no . 4_665
N4 H25 2.5723 no . .
N4 H25 2.5723 no . 4_665
C1 H3 3.2313 no . .
C2 H4 3.2516 no . .
C3 H1 3.2405 no . .
C4 H2 3.2434 no . .
C4 H14 2.9313 no . 4_675
C5 H1 3.2990 no . .
C5 H3 3.2559 no . .
C5 H14 3.4534 no . .
C5 H14 2.7517 no . 4_675
C6 H2 3.2507 no . .
C6 H4 3.3015 no . .
C7 H4 2.6716 no . .
C7 H4 2.6716 no . 4_675
C7 H14 2.6177 no . .
C7 H14 2.6177 no . 4_675
C8 H4 2.6122 no . .
C8 H4 2.6122 no . 4_675
C8 H14 2.6792 no . .
C8 H14 2.6792 no . 4_675
C9 H4 3.4405 no . .
C9 H4 2.7620 no . 4_675
C9 H11 3.3048 no . .
C9 H13 3.2636 no . .
C10 H12 3.2538 no . .
C10 H14 3.3077 no . .
C11 H13 3.2383 no . .
C12 H14 3.2651 no . .
C13 H11 3.2486 no . .
C14 H4 2.9574 no . 4_675
C14 H12 3.2561 no . .
C15 H21 2.6588 no . .
C15 H21 2.6588 no . 4_665
C15 H28 2.5903 no . .
C15 H28 2.5903 no . 4_665
C16 H18 3.2894 no . .
C16 H20 3.2693 no . .
C16 H28 2.8883 no . .
C16 H28 3.2884 no . 4_665
C17 H19 3.2468 no . .
C17 H21 3.2954 no . .
C18 H20 3.2463 no . .
C19 H21 3.2582 no . .
C19 H26 3.3668 no . 2_466
C19 H27 3.4225 no . 2_466
C20 H18 3.2534 no . .
C20 H27 3.1500 no . 2_466
C21 H19 3.2493 no . .
C21 H28 3.2146 no . .
C22 H21 2.5934 no . .
C22 H21 2.5934 no . 4_665
C22 H28 2.6635 no . .
C22 H28 2.6635 no . 4_665
C23 H21 2.9036 no . .
C23 H21 3.2789 no . 4_665
C23 H25 3.2980 no . .
C23 H27 3.2605 no . .
C24 H26 3.2517 no . .
C24 H28 3.3054 no . .
C25 H27 3.2463 no . .
C26 H19 3.2155 no . 2_566
C26 H28 3.2518 no . .
C27 H19 3.4658 no . 2_566
C27 H20 3.3187 no . 2_566
C27 H25 3.2549 no . .
C28 H21 3.2224 no . .
C28 H26 3.2415 no . .
H1 H2 2.2813 no . .
H1 H11 3.4399 no . 4_676
H2 H3 2.3220 no . .
H3 H4 2.2860 no . .
H3 H12 3.0971 no . 2_466
H4 H14 2.9304 no . 4_675
H11 H12 2.2817 no . .
H12 H13 2.3307 no . .
H13 H14 2.2944 no . .
H18 H19 2.2662 no . .
H19 H20 2.3517 no . .
H19 H26 2.8027 no . 2_466
H19 H27 3.2613 no . 2_466
H20 H21 2.2945 no . .
H20 H27 2.7824 no . 2_466
H21 H28 3.1793 no . .
H25 H26 2.2813 no . .
H26 H27 2.3323 no . .
H27 H28 2.2866 no . .
Ag1 H2 3.2929 no . 1_554
Ag1 H2 3.2929 no . 4_664
Cl1 H1 3.0209 no . 3_657
Cl1 H11 3.2803 no . 3_656
Cl1 H18 3.3268 no . 3_656
Cl1 H25 3.0568 no . 3_657
Cl2 H3 3.3641 no . 4_675
Cl2 H13 3.1589 no . .
Cl2 H20 3.4034 no . 4_675
Cl2 H27 3.3829 no . 3_656
Cl2 H28 2.7781 no . 3_656
Cl3 H2 3.3064 no . 2_567
Cl3 H18 3.2607 no . 2_566
Cl3 H26 3.2554 no . .
Cl3 H29A 3.2660 no . 3_647
Cl3 H29B 3.0792 no . .
O1 H2 2.4485 no . 2_567
O1 H18 2.8058 no . 2_566
O1 H19 3.0911 no . 2_566
O1 H26 2.4550 no . .
O1 H29A 2.5212 no . 3_647
O1 H29B 2.9522 no . 3_647
O2 H1 2.9486 no . 4_675
O2 H11 2.3276 no . 1_556
O2 H12 3.3979 no . 1_556
O2 H19 3.3914 no . 4_676
O2 H29A 2.9404 no . 3_647
O2 H29B 3.4562 no . .
O3 H2 3.1494 no . 2_567
O3 H18 2.6964 no . 2_566
O3 H25 2.5420 no . 3_657
O3 H29B 2.5094 no . .
O4 H14 2.4636 no . .
O4 H26 2.9517 no . .
O4 H29B 2.8701 no . .
N4 H2 3.3339 no . .
N4 H2 3.3339 no . 4_665
N4 H3 3.2051 no . .
N4 H3 3.2051 no . 4_665
C1 H18 3.1448 no . 1_556
C1 H25 3.5645 no . .
C2 H18 2.9922 no . 1_556
C2 H25 3.4281 no . .
C2 H29A 3.2004 no . 4_675
C2 H29B 3.1689 no . 4_675
C3 H21 2.9270 no . .
C3 H29A 3.1673 no . 4_675
C3 H29B 3.3466 no . 4_675
C4 H21 2.9317 no . .
C9 H20 3.3749 no . 4_675
C9 H27 3.5107 no . .
C10 H20 3.2911 no . 4_675
C11 H19 3.1417 no . 4_675
C11 H20 3.1305 no . 4_675
C11 H29A 3.1098 no . 3_646
C12 H19 3.5333 no . 4_675
C12 H20 3.0446 no . 4_675
C12 H29A 3.2499 no . 3_646
C13 H20 3.1423 no . 4_675
C13 H21 3.5746 no . 2_566
C13 H27 3.2314 no . .
C14 H20 3.3086 no . 4_675
C14 H27 2.8888 no . .
C16 H13 3.2012 no . 2_466
C18 H1 3.1434 no . 1_554
C18 H2 3.2357 no . 1_554
C19 H1 3.2518 no . 1_554
C19 H11 3.5564 no . 4_675
C20 H4 3.1982 no . .
C20 H13 3.2354 no . 2_466
C21 H3 3.2579 no . .
C21 H4 2.9027 no . .
C21 H13 2.8725 no . 2_466
C22 H3 3.4128 no . .
C22 H3 3.4128 no . 4_665
C23 H3 3.1583 no . .
C23 H3 3.5385 no . 4_665
C23 H4 3.5427 no . .
C23 H12 3.2094 no . 3_646
C24 H3 3.0529 no . .
C24 H3 3.4172 no . 4_665
C24 H12 3.4568 no . 3_646
C25 H12 3.5593 no . 3_646
C26 H12 3.4531 no . 3_646
C27 H4 3.5019 no . .
C27 H12 3.2212 no . 3_646
C27 H14 3.4213 no . .
C28 H4 3.3073 no . .
C28 H12 3.0900 no . 3_646
C28 H13 3.3347 no . 3_646
C29 H2 3.4841 no . 4_675
C29 H3 3.3807 no . 4_675
C29 H11 3.3262 no . 3_656
H1 Cl1 3.0209 no . 3_647
H1 O2 2.9486 no . 4_675
H1 C18 3.1434 no . 1_556
H1 C19 3.2518 no . 1_556
H1 H18 2.6531 no . 1_556
H1 H19 2.8584 no . 1_556
H2 Ag1 3.2929 no . 1_556
H2 Cl3 3.3064 no . 2_467
H2 O1 2.4485 no . 2_467
H2 O3 3.1494 no . 2_467
H2 N4 3.3339 no . .
H2 C18 3.2357 no . 1_556
H2 C29 3.4841 no . 4_675
H2 H18 2.3448 no . 1_556
H2 H19 3.5290 no . 1_556
H2 H29A 2.9166 no . 4_675
H2 H29B 3.1550 no . 4_675
H3 Cl2 3.3641 no . 4_675
H3 N4 3.2051 no . .
H3 C21 3.2579 no . .
H3 C22 3.4128 no . .
H3 C23 3.1583 no . .
H3 C23 3.5385 no . 4_665
H3 C24 3.0529 no . .
H3 C24 3.4172 no . 4_665
H3 C29 3.3807 no . 4_675
H3 H21 2.3363 no . .
H3 H29A 2.8680 no . 4_675
H3 H29B 3.4594 no . 4_675
H4 C20 3.1982 no . .
H4 C21 2.9027 no . .
H4 C23 3.5427 no . .
H4 C27 3.5019 no . .
H4 C28 3.3073 no . .
H4 H20 2.9235 no . .
H4 H21 2.3533 no . .
H4 H28 3.5277 no . .
H11 Cl1 3.2803 no . 3_646
H11 O2 2.3276 no . 1_554
H11 C19 3.5564 no . 4_675
H11 C29 3.3262 no . 3_646
H11 H19 2.9412 no . 4_675
H11 H20 3.5991 no . 4_675
H11 H29A 2.7559 no . 3_646
H12 O2 3.3979 no . 1_554
H12 C23 3.2094 no . 3_656
H12 C24 3.4568 no . 3_656
H12 C25 3.5593 no . 3_656
H12 C26 3.4531 no . 3_656
H12 C27 3.2212 no . 3_656
H12 C28 3.0900 no . 3_656
H12 H19 3.5976 no . 4_675
H12 H20 3.4599 no . 4_675
H12 H21 3.3404 no . 2_566
H12 H28 3.4582 no . 3_656
H12 H29A 3.0265 no . 3_646
H13 Cl2 3.1589 no . .
H13 C16 3.2012 no . 2_566
H13 C20 3.2354 no . 2_566
H13 C21 2.8725 no . 2_566
H13 C28 3.3347 no . 3_656
H13 H20 3.5640 no . 2_566
H13 H21 2.9839 no . 2_566
H13 H27 3.3626 no . .
H13 H28 3.0357 no . 3_656
H14 O4 2.4636 no . .
H14 C27 3.4213 no . .
H14 H26 3.5128 no . .
H14 H27 2.7952 no . .
H18 Cl1 3.3268 no . 3_646
H18 Cl3 3.2607 no . 2_466
H18 O1 2.8058 no . 2_466
H18 O3 2.6964 no . 2_466
H18 C1 3.1448 no . 1_554
H18 C2 2.9922 no . 1_554
H18 H1 2.6531 no . 1_554
H18 H2 2.3448 no . 1_554
H19 O1 3.0911 no . 2_466
H19 O2 3.3914 no . 4_674
H19 C11 3.1417 no . 4_675
H19 C12 3.5333 no . 4_675
H19 H1 2.8584 no . 1_554
H19 H2 3.5290 no . 1_554
H19 H11 2.9412 no . 4_675
H19 H12 3.5976 no . 4_675
H20 Cl2 3.4034 no . 4_675
H20 C9 3.3749 no . 4_675
H20 C10 3.2911 no . 4_675
H20 C11 3.1305 no . 4_675
H20 C12 3.0446 no . 4_675
H20 C13 3.1423 no . 4_675
H20 C14 3.3086 no . 4_675
H20 H4 2.9235 no . .
H20 H11 3.5991 no . 4_675
H20 H12 3.4599 no . 4_675
H20 H13 3.5640 no . 2_466
H21 C3 2.9270 no . .
H21 C4 2.9317 no . .
H21 C13 3.5746 no . 2_466
H21 H3 2.3363 no . .
H21 H4 2.3533 no . .
H21 H12 3.3404 no . 2_466
H21 H13 2.9839 no . 2_466
H25 Cl1 3.0568 no . 3_647
H25 O3 2.5420 no . 3_647
H25 C1 3.5645 no . .
H25 C2 3.4281 no . .
H25 H29B 3.3001 no . 3_647
H26 Cl3 3.2554 no . .
H26 O1 2.4550 no . .
H26 O4 2.9517 no . .
H26 H14 3.5128 no . .
H27 Cl2 3.3829 no . 3_646
H27 C9 3.5107 no . .
H27 C13 3.2314 no . .
H27 C14 2.8888 no . .
H27 H13 3.3626 no . .
H27 H14 2.7952 no . .
H28 Cl2 2.7781 no . 3_646
H28 H4 3.5277 no . .
H28 H12 3.4582 no . 3_646
H28 H13 3.0357 no . 3_646
H29A Cl3 3.2660 no . 3_657
H29A O1 2.5212 no . 3_657
H29A O2 2.9404 no . 3_657
H29A C2 3.2004 no . 4_675
H29A C3 3.1673 no . 4_675
H29A C11 3.1098 no . 3_656
H29A C12 3.2499 no . 3_656
H29A H2 2.9166 no . 4_675
H29A H3 2.8680 no . 4_675
H29A H11 2.7559 no . 3_656
H29A H12 3.0265 no . 3_656
H29B Cl3 3.0792 no . .
H29B O1 2.9522 no . 3_657
H29B O2 3.4562 no . .
H29B O3 2.5094 no . .
H29B O4 2.8701 no . .
H29B C2 3.1689 no . 4_675
H29B C3 3.3466 no . 4_675
H29B H2 3.1550 no . 4_675
H29B H3 3.4594 no . 4_675
H29B H25 3.3001 no . 3_657

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_mfu123-1-1
_database_code_depnum_ccdc_archive 'CCDC 1523065'
_audit_update_record             
;
2017-01-07 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C34 H32 Ag B F4 N2 O2'
_chemical_formula_moiety         'C34 H32 Ag B F4 N2 O2'
_chemical_formula_weight         695.31
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
_space_group_IT_number           33
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2+Z
3 1/2+X,1/2-Y,+Z
4 -X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   18.3851(14)
_cell_length_b                   14.1175(11)
_cell_length_c                   11.4036(9)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     2959.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9458
_cell_measurement_theta_min      3.09
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.050
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1416.00
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_T_max  0.964

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.811
_diffrn_reflns_number            20031
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         3.091
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.881
_diffrn_reflns_point_group_measured_fraction_full 0.926
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5985
_reflns_number_gt                5527
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0603
_refine_ls_wR_factor_gt          0.0585
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5985
_refine_ls_number_parameters     397
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0135P)²+3.1303P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 2076 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.018(8)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.29889(2) 0.02248(2) 0.00883(3) 0.01620(7) Uani 1 4 d . . .
F1 F 0.16435(14) 0.09989(18) -0.0764(2) 0.0259(6) Uani 1 4 d . . .
F2 F 0.05898(15) 0.0205(3) -0.1099(3) 0.0486(8) Uani 1 4 d . . .
F3 F 0.14668(17) 0.0225(2) -0.2491(2) 0.0335(6) Uani 1 4 d . . .
F4 F 0.16435(15) -0.06086(19) -0.0807(2) 0.0298(6) Uani 1 4 d . . .
O1 O 0.3780(2) 0.2296(3) 0.0882(3) 0.0412(9) Uani 1 4 d . . .
O2 O 0.4006(3) -0.1941(3) 0.0877(4) 0.0691(14) Uani 1 4 d . . .
N1 N 0.29986(19) 0.0212(3) 0.1972(5) 0.0120(10) Uani 1 4 d . . .
N2 N 0.3130(2) 0.0205(3) 0.8208(5) 0.0130(9) Uani 1 4 d . . .
C1 C 0.1063(2) 0.0102(3) 0.2632(4) 0.0150(8) Uani 1 4 d . . .
C2 C 0.1694(2) 0.0157(3) 0.2020(4) 0.0141(7) Uani 1 4 d . . .
C3 C 0.23778(19) 0.0186(3) 0.2605(3) 0.0114(7) Uani 1 4 d . . .
C4 C 0.23824(19) 0.0171(3) 0.3862(3) 0.0106(7) Uani 1 4 d . . .
C5 C 0.1709(2) 0.0128(3) 0.4483(3) 0.0148(8) Uani 1 4 d . . .
C6 C 0.1068(2) 0.0096(3) 0.3883(4) 0.0174(8) Uani 1 4 d . . .
C7 C 0.3057(3) 0.0223(4) 0.4437(5) 0.0121(14) Uani 1 4 d . . .
C8 C 0.36992(19) 0.0268(3) 0.3787(3) 0.0143(7) Uani 1 4 d . . .
C9 C 0.4398(2) 0.0338(3) 0.4318(4) 0.0238(10) Uani 1 4 d . . .
C10 C 0.5009(2) 0.0391(4) 0.3655(4) 0.0286(11) Uani 1 4 d . . .
C11 C 0.4958(2) 0.0367(4) 0.2413(4) 0.0305(12) Uani 1 4 d . . .
C12 C 0.4304(2) 0.0304(3) 0.1873(4) 0.0232(9) Uani 1 4 d . . .
C13 C 0.3649(2) 0.0258(3) 0.2529(3) 0.0146(7) Uani 1 4 d . . .
C14 C 0.3078(3) 0.0188(4) 0.5745(5) 0.0109(13) Uani 1 4 d . . .
C15 C 0.3083(2) 0.1059(3) 0.6358(3) 0.0131(8) Uani 1 4 d . . .
C16 C 0.31039(19) 0.1027(3) 0.7619(3) 0.0128(8) Uani 1 4 d . . .
C17 C 0.31353(19) -0.0630(3) 0.7616(3) 0.0122(7) Uani 1 4 d . . .
C18 C 0.3116(2) -0.0659(3) 0.6359(3) 0.0119(7) Uani 1 4 d . . .
C19 C 0.3141(2) -0.1558(3) 0.5786(3) 0.0177(9) Uani 1 4 d . . .
C20 C 0.3197(3) -0.2371(3) 0.6419(4) 0.0230(10) Uani 1 4 d . . .
C21 C 0.3223(3) -0.2332(3) 0.7665(4) 0.0244(10) Uani 1 4 d . . .
C22 C 0.3187(2) -0.1493(3) 0.8250(4) 0.0183(8) Uani 1 4 d . . .
C23 C 0.3063(3) 0.1961(3) 0.5790(3) 0.0214(9) Uani 1 4 d . . .
C24 C 0.3081(3) 0.2773(3) 0.6420(4) 0.0287(11) Uani 1 4 d . . .
C25 C 0.3100(3) 0.2736(3) 0.7675(4) 0.0275(11) Uani 1 4 d . . .
C26 C 0.3105(2) 0.1901(3) 0.8245(4) 0.0201(9) Uani 1 4 d . . .
C27 C 0.3743(3) 0.2742(4) 0.2012(5) 0.0398(12) Uani 1 4 d . . .
C28 C 0.4515(4) 0.3026(5) 0.2318(6) 0.0592(18) Uani 1 4 d . . .
C29 C 0.4813(4) 0.3274(6) 0.1132(6) 0.065(2) Uani 1 4 d . . .
C30 C 0.4448(3) 0.2578(4) 0.0331(4) 0.0432(16) Uani 1 4 d . . .
C31 C 0.3931(8) -0.2237(5) 0.2083(8) 0.125(5) Uani 1 4 d . . .
C32 C 0.4722(8) -0.2637(7) 0.2289(10) 0.146(6) Uani 1 4 d . . .
C33 C 0.4821(5) -0.3184(8) 0.1137(11) 0.114(4) Uani 1 4 d . . .
C34 C 0.4483(6) -0.2537(5) 0.0413(8) 0.094(3) Uani 1 4 d . . .
B1 B 0.1326(3) 0.0203(4) -0.1301(4) 0.0224(10) Uani 1 4 d . . .
H1 H 0.06225 0.00682 0.22322 0.0180 Uiso 1 4 calc R . .
H2 H 0.16795 0.01753 0.12054 0.0170 Uiso 1 4 calc R . .
H5 H 0.17072 0.01219 0.52987 0.0178 Uiso 1 4 calc R . .
H6 H 0.06304 0.00709 0.42926 0.0209 Uiso 1 4 calc R . .
H9 H 0.44363 0.03468 0.5131 0.0286 Uiso 1 4 calc R . .
H10 H 0.54615 0.0443 0.40145 0.0343 Uiso 1 4 calc R . .
H11 H 0.53798 0.03943 0.1964 0.0366 Uiso 1 4 calc R . .
H12 H 0.42833 0.02916 0.10585 0.0279 Uiso 1 4 calc R . .
H19 H 0.31195 -0.1588 0.4972 0.0212 Uiso 1 4 calc R . .
H20 H 0.32185 -0.29521 0.6038 0.0276 Uiso 1 4 calc R . .
H21 H 0.32649 -0.28923 0.80886 0.0292 Uiso 1 4 calc R . .
H22 H 0.31972 -0.14853 0.90652 0.0220 Uiso 1 4 calc R . .
H23 H 0.30378 0.1991 0.49764 0.0257 Uiso 1 4 calc R . .
H24 H 0.30805 0.33547 0.6038 0.0345 Uiso 1 4 calc R . .
H25 H 0.31094 0.32967 0.81022 0.0330 Uiso 1 4 calc R . .
H26 H 0.31094 0.18939 0.90604 0.0242 Uiso 1 4 calc R . .
H27A H 0.35517 0.23048 0.25921 0.0477 Uiso 1 4 calc R . .
H27B H 0.34297 0.32944 0.1983 0.0477 Uiso 1 4 calc R . .
H28A H 0.45243 0.35664 0.28434 0.0711 Uiso 1 4 calc R . .
H28B H 0.47809 0.25054 0.2671 0.0711 Uiso 1 4 calc R . .
H29A H 0.46898 0.39197 0.0919 0.0778 Uiso 1 4 calc R . .
H29B H 0.53372 0.32003 0.11108 0.0778 Uiso 1 4 calc R . .
H30A H 0.43496 0.28683 -0.04233 0.0518 Uiso 1 4 calc R . .
H30B H 0.47585 0.20313 0.02079 0.0518 Uiso 1 4 calc R . .
H31A H 0.35623 -0.2723 0.21745 0.1501 Uiso 1 4 calc R . .
H31B H 0.38229 -0.17085 0.25986 0.1501 Uiso 1 4 calc R . .
H32A H 0.50771 -0.21341 0.23733 0.1747 Uiso 1 4 calc R . .
H32B H 0.47436 -0.30523 0.2966 0.1747 Uiso 1 4 calc R . .
H33A H 0.53298 -0.32723 0.09377 0.1367 Uiso 1 4 calc R . .
H33B H 0.45742 -0.37911 0.11453 0.1367 Uiso 1 4 calc R . .
H34A H 0.48592 -0.21642 0.00358 0.1127 Uiso 1 4 calc R . .
H34B H 0.42358 -0.28893 -0.01995 0.1127 Uiso 1 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 N1 2.148(5) yes . .
Ag1 N2 2.161(5) yes . 1_554
F1 B1 1.407(6) yes . .
F2 B1 1.373(6) yes . .
F3 B1 1.382(6) yes . .
F4 B1 1.404(6) yes . .
O1 C27 1.436(6) yes . .
O1 C30 1.436(7) yes . .
O2 C31 1.445(11) yes . .
O2 C34 1.326(11) yes . .
N1 C3 1.351(5) yes . .
N1 C13 1.355(5) yes . .
N2 C16 1.341(6) yes . .
N2 C17 1.358(6) yes . .
C1 C2 1.356(6) yes . .
C1 C6 1.427(6) yes . .
C2 C3 1.424(5) yes . .
C3 C4 1.434(5) yes . .
C4 C5 1.428(5) yes . .
C4 C7 1.405(6) yes . .
C5 C6 1.364(5) yes . .
C7 C8 1.395(6) yes . .
C7 C14 1.493(8) yes . .
C8 C9 1.424(5) yes . .
C8 C13 1.438(5) yes . .
C9 C10 1.355(6) yes . .
C10 C11 1.420(6) yes . .
C11 C12 1.354(6) yes . .
C12 C13 1.419(6) yes . .
C14 C15 1.414(7) yes . .
C14 C18 1.388(7) yes . .
C15 C16 1.439(5) yes . .
C15 C23 1.429(6) yes . .
C16 C26 1.425(6) yes . .
C17 C18 1.435(5) yes . .
C17 C22 1.420(6) yes . .
C18 C19 1.428(6) yes . .
C19 C20 1.359(6) yes . .
C20 C21 1.422(6) yes . .
C21 C22 1.361(6) yes . .
C23 C24 1.352(6) yes . .
C24 C25 1.433(6) yes . .
C25 C26 1.346(6) yes . .
C27 C28 1.516(9) yes . .
C28 C29 1.501(10) yes . .
C29 C30 1.500(9) yes . .
C31 C32 1.578(19) yes . .
C32 C33 1.535(16) yes . .
C33 C34 1.379(14) yes . .
C1 H1 0.930 no . .
C2 H2 0.930 no . .
C5 H5 0.930 no . .
C6 H6 0.930 no . .
C9 H9 0.930 no . .
C10 H10 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C19 H19 0.930 no . .
C20 H20 0.930 no . .
C21 H21 0.930 no . .
C22 H22 0.930 no . .
C23 H23 0.930 no . .
C24 H24 0.930 no . .
C25 H25 0.930 no . .
C26 H26 0.930 no . .
C27 H27A 0.970 no . .
C27 H27B 0.970 no . .
C28 H28A 0.970 no . .
C28 H28B 0.970 no . .
C29 H29A 0.970 no . .
C29 H29B 0.970 no . .
C30 H30A 0.970 no . .
C30 H30B 0.970 no . .
C31 H31A 0.970 no . .
C31 H31B 0.970 no . .
C32 H32A 0.970 no . .
C32 H32B 0.970 no . .
C33 H33A 0.970 no . .
C33 H33B 0.970 no . .
C34 H34A 0.970 no . .
C34 H34B 0.970 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N1 Ag1 N2 172.51(15) yes . . 1_554
C27 O1 C30 108.2(4) yes . . .
C31 O2 C34 105.1(7) yes . . .
Ag1 N1 C3 121.9(3) yes . . .
Ag1 N1 C13 118.4(3) yes . . .
C3 N1 C13 119.7(4) yes . . .
Ag1 N2 C16 118.8(3) yes 1_556 . .
Ag1 N2 C17 120.3(3) yes 1_556 . .
C16 N2 C17 120.1(4) yes . . .
C2 C1 C6 120.6(4) yes . . .
C1 C2 C3 121.1(4) yes . . .
N1 C3 C2 119.8(4) yes . . .
N1 C3 C4 122.0(4) yes . . .
C2 C3 C4 118.2(3) yes . . .
C3 C4 C5 119.4(3) yes . . .
C3 C4 C7 118.1(4) yes . . .
C5 C4 C7 122.4(4) yes . . .
C4 C5 C6 120.1(3) yes . . .
C1 C6 C5 120.5(4) yes . . .
C4 C7 C8 120.1(5) yes . . .
C4 C7 C14 119.2(4) yes . . .
C8 C7 C14 120.7(4) yes . . .
C7 C8 C9 122.7(4) yes . . .
C7 C8 C13 118.4(4) yes . . .
C9 C8 C13 118.9(3) yes . . .
C8 C9 C10 121.0(4) yes . . .
C9 C10 C11 120.0(4) yes . . .
C10 C11 C12 120.9(4) yes . . .
C11 C12 C13 121.2(4) yes . . .
N1 C13 C8 121.7(4) yes . . .
N1 C13 C12 120.2(4) yes . . .
C8 C13 C12 118.1(3) yes . . .
C7 C14 C15 117.7(5) yes . . .
C7 C14 C18 122.3(5) yes . . .
C15 C14 C18 120.0(5) yes . . .
C14 C15 C16 117.8(4) yes . . .
C14 C15 C23 123.4(4) yes . . .
C16 C15 C23 118.8(3) yes . . .
N2 C16 C15 121.9(4) yes . . .
N2 C16 C26 119.8(4) yes . . .
C15 C16 C26 118.2(3) yes . . .
N2 C17 C18 121.4(4) yes . . .
N2 C17 C22 119.5(4) yes . . .
C18 C17 C22 119.1(4) yes . . .
C14 C18 C17 118.7(4) yes . . .
C14 C18 C19 122.5(4) yes . . .
C17 C18 C19 118.8(3) yes . . .
C18 C19 C20 120.6(4) yes . . .
C19 C20 C21 120.1(4) yes . . .
C20 C21 C22 121.4(4) yes . . .
C17 C22 C21 120.0(4) yes . . .
C15 C23 C24 120.9(4) yes . . .
C23 C24 C25 120.0(4) yes . . .
C24 C25 C26 121.0(4) yes . . .
C16 C26 C25 121.1(4) yes . . .
O1 C27 C28 106.1(5) yes . . .
C27 C28 C29 101.3(5) yes . . .
C28 C29 C30 103.5(6) yes . . .
O1 C30 C29 107.3(4) yes . . .
O2 C31 C32 99.0(9) yes . . .
C31 C32 C33 99.4(8) yes . . .
C32 C33 C34 97.2(9) yes . . .
O2 C34 C33 118.7(8) yes . . .
F1 B1 F2 109.5(4) yes . . .
F1 B1 F3 109.3(4) yes . . .
F1 B1 F4 107.7(4) yes . . .
F2 B1 F3 110.4(4) yes . . .
F2 B1 F4 110.2(4) yes . . .
F3 B1 F4 109.6(4) yes . . .
C2 C1 H1 119.685 no . . .
C6 C1 H1 119.685 no . . .
C1 C2 H2 119.449 no . . .
C3 C2 H2 119.463 no . . .
C4 C5 H5 119.935 no . . .
C6 C5 H5 119.918 no . . .
C1 C6 H6 119.778 no . . .
C5 C6 H6 119.772 no . . .
C8 C9 H9 119.517 no . . .
C10 C9 H9 119.511 no . . .
C9 C10 H10 120.006 no . . .
C11 C10 H10 120.004 no . . .
C10 C11 H11 119.552 no . . .
C12 C11 H11 119.545 no . . .
C11 C12 H12 119.415 no . . .
C13 C12 H12 119.426 no . . .
C18 C19 H19 119.695 no . . .
C20 C19 H19 119.683 no . . .
C19 C20 H20 119.973 no . . .
C21 C20 H20 119.956 no . . .
C20 C21 H21 119.295 no . . .
C22 C21 H21 119.287 no . . .
C17 C22 H22 119.976 no . . .
C21 C22 H22 119.989 no . . .
C15 C23 H23 119.552 no . . .
C24 C23 H23 119.539 no . . .
C23 C24 H24 119.991 no . . .
C25 C24 H24 119.984 no . . .
C24 C25 H25 119.526 no . . .
C26 C25 H25 119.518 no . . .
C16 C26 H26 119.469 no . . .
C25 C26 H26 119.473 no . . .
O1 C27 H27A 110.496 no . . .
O1 C27 H27B 110.510 no . . .
C28 C27 H27A 110.500 no . . .
C28 C27 H27B 110.510 no . . .
H27A C27 H27B 108.682 no . . .
C27 C28 H28A 111.517 no . . .
C27 C28 H28B 111.522 no . . .
C29 C28 H28A 111.514 no . . .
C29 C28 H28B 111.512 no . . .
H28A C28 H28B 109.334 no . . .
C28 C29 H29A 111.069 no . . .
C28 C29 H29B 111.068 no . . .
C30 C29 H29A 111.074 no . . .
C30 C29 H29B 111.067 no . . .
H29A C29 H29B 109.030 no . . .
O1 C30 H30A 110.247 no . . .
O1 C30 H30B 110.249 no . . .
C29 C30 H30A 110.251 no . . .
C29 C30 H30B 110.247 no . . .
H30A C30 H30B 108.510 no . . .
O2 C31 H31A 111.968 no . . .
O2 C31 H31B 111.967 no . . .
C32 C31 H31A 111.972 no . . .
C32 C31 H31B 111.966 no . . .
H31A C31 H31B 109.651 no . . .
C31 C32 H32A 111.893 no . . .
C31 C32 H32B 111.888 no . . .
C33 C32 H32A 111.903 no . . .
C33 C32 H32B 111.896 no . . .
H32A C32 H32B 109.605 no . . .
C32 C33 H33A 112.309 no . . .
C32 C33 H33B 112.313 no . . .
C34 C33 H33A 112.320 no . . .
C34 C33 H33B 112.314 no . . .
H33A C33 H33B 109.900 no . . .
O2 C34 H34A 107.637 no . . .
O2 C34 H34B 107.658 no . . .
C33 C34 H34A 107.640 no . . .
C33 C34 H34B 107.643 no . . .
H34A C34 H34B 107.059 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C27 O1 C30 C29 -3.5(5) no . . . .
C30 O1 C27 C28 -19.5(5) no . . . .
C31 O2 C34 C33 -5.8(10) no . . . .
C34 O2 C31 C32 30.9(7) no . . . .
Ag1 N1 C3 C2 0.6(5) no . . . .
Ag1 N1 C3 C4 179.6(2) no . . . .
Ag1 N1 C13 C8 179.0(2) no . . . .
Ag1 N1 C13 C12 -0.6(5) no . . . .
C3 N1 C13 C8 0.8(6) no . . . .
C3 N1 C13 C12 -178.7(3) no . . . .
C13 N1 C3 C2 178.8(3) no . . . .
C13 N1 C3 C4 -2.3(6) no . . . .
Ag1 N2 C16 C15 -170.4(2) no 1_556 . . .
Ag1 N2 C16 C26 10.4(5) no 1_556 . . .
Ag1 N2 C17 C18 170.4(2) no 1_556 . . .
Ag1 N2 C17 C22 -12.0(5) no 1_556 . . .
C16 N2 C17 C18 0.3(6) no . . . .
C16 N2 C17 C22 178.0(3) no . . . .
C17 N2 C16 C15 -0.3(6) no . . . .
C17 N2 C16 C26 -179.5(3) no . . . .
C2 C1 C6 C5 -1.2(6) no . . . .
C6 C1 C2 C3 1.6(5) no . . . .
C1 C2 C3 N1 178.0(3) no . . . .
C1 C2 C3 C4 -0.9(5) no . . . .
N1 C3 C4 C5 -179.0(3) no . . . .
N1 C3 C4 C7 2.6(5) no . . . .
C2 C3 C4 C5 -0.0(5) no . . . .
C2 C3 C4 C7 -178.4(3) no . . . .
C3 C4 C5 C6 0.4(5) no . . . .
C3 C4 C7 C8 -1.4(6) no . . . .
C3 C4 C7 C14 -178.7(3) no . . . .
C5 C4 C7 C8 -179.7(4) no . . . .
C5 C4 C7 C14 3.0(6) no . . . .
C7 C4 C5 C6 178.7(4) no . . . .
C4 C5 C6 C1 0.2(6) no . . . .
C4 C7 C8 C9 179.0(4) no . . . .
C4 C7 C8 C13 -0.0(7) no . . . .
C4 C7 C14 C15 -94.1(5) no . . . .
C4 C7 C14 C18 88.0(6) no . . . .
C8 C7 C14 C15 88.6(6) no . . . .
C8 C7 C14 C18 -89.3(6) no . . . .
C14 C7 C8 C9 -3.7(7) no . . . .
C14 C7 C8 C13 177.3(4) no . . . .
C7 C8 C9 C10 -179.2(4) no . . . .
C7 C8 C13 N1 0.4(6) no . . . .
C7 C8 C13 C12 179.9(4) no . . . .
C9 C8 C13 N1 -178.6(4) no . . . .
C9 C8 C13 C12 0.9(6) no . . . .
C13 C8 C9 C10 -0.2(6) no . . . .
C8 C9 C10 C11 -0.7(7) no . . . .
C9 C10 C11 C12 0.9(7) no . . . .
C10 C11 C12 C13 -0.2(7) no . . . .
C11 C12 C13 N1 178.9(4) no . . . .
C11 C12 C13 C8 -0.7(6) no . . . .
C7 C14 C15 C16 -180.0(4) no . . . .
C7 C14 C15 C23 0.5(6) no . . . .
C7 C14 C18 C17 180.0(4) no . . . .
C7 C14 C18 C19 0.3(7) no . . . .
C15 C14 C18 C17 2.1(6) no . . . .
C15 C14 C18 C19 -177.6(3) no . . . .
C18 C14 C15 C16 -2.0(6) no . . . .
C18 C14 C15 C23 178.4(3) no . . . .
C14 C15 C16 N2 1.1(5) no . . . .
C14 C15 C16 C26 -179.7(3) no . . . .
C14 C15 C23 C24 -178.9(4) no . . . .
C16 C15 C23 C24 1.5(6) no . . . .
C23 C15 C16 N2 -179.3(3) no . . . .
C23 C15 C16 C26 -0.1(5) no . . . .
N2 C16 C26 C25 178.1(3) no . . . .
C15 C16 C26 C25 -1.2(5) no . . . .
N2 C17 C18 C14 -1.3(5) no . . . .
N2 C17 C18 C19 178.4(3) no . . . .
N2 C17 C22 C21 -177.3(3) no . . . .
C18 C17 C22 C21 0.4(5) no . . . .
C22 C17 C18 C14 -178.9(3) no . . . .
C22 C17 C18 C19 0.8(5) no . . . .
C14 C18 C19 C20 178.3(4) no . . . .
C17 C18 C19 C20 -1.3(5) no . . . .
C18 C19 C20 C21 0.7(6) no . . . .
C19 C20 C21 C22 0.5(7) no . . . .
C20 C21 C22 C17 -1.0(6) no . . . .
C15 C23 C24 C25 -1.7(7) no . . . .
C23 C24 C25 C26 0.4(8) no . . . .
C24 C25 C26 C16 1.1(7) no . . . .
O1 C27 C28 C29 34.3(5) no . . . .
C27 C28 C29 C30 -35.3(6) no . . . .
C28 C29 C30 O1 25.1(6) no . . . .
O2 C31 C32 C33 -43.5(7) no . . . .
C31 C32 C33 C34 38.8(8) no . . . .
C32 C33 C34 O2 -23.1(11) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 C2 3.246(4) no . .
Ag1 C12 3.162(4) no . .
Ag1 C22 3.227(4) no . 1_554
Ag1 C26 3.172(4) no . 1_554
N1 C7 2.813(8) no . .
N2 C10 3.559(6) no . 4_655
N2 C14 2.810(8) no . .
C1 C4 2.804(5) no . .
C2 C5 2.809(6) no . .
C2 C20 3.563(6) no . 2_554
C2 C24 3.460(6) no . 2_544
C2 C25 3.519(6) no . 2_544
C3 C6 2.819(5) no . .
C3 C8 2.781(5) no . .
C3 C25 3.570(6) no . 2_544
C4 C13 2.783(5) no . .
C4 C15 3.366(5) no . .
C4 C18 3.361(5) no . .
C4 C19 3.566(5) no . .
C4 C23 3.577(5) no . .
C5 C14 2.901(6) no . .
C5 C15 3.561(5) no . .
C5 C18 3.536(5) no . .
C7 C19 2.952(7) no . .
C7 C23 2.898(7) no . .
C8 C11 2.798(6) no . .
C8 C15 3.336(5) no . .
C8 C18 3.385(5) no . .
C8 C19 3.591(6) no . .
C8 C23 3.507(6) no . .
C9 C12 2.794(6) no . .
C9 C14 2.929(7) no . .
C9 C15 3.507(5) no . .
C9 C18 3.598(5) no . .
C10 C13 2.818(6) no . .
C11 C17 3.533(6) no . 4_654
C15 C17 2.785(5) no . .
C15 C25 2.803(6) no . .
C16 C18 2.780(5) no . .
C16 C24 2.819(6) no . .
C17 C20 2.813(6) no . .
C18 C21 2.799(6) no . .
C19 C22 2.813(6) no . .
C23 C26 2.802(6) no . .
Ag1 F1 2.874(3) no . .
Ag1 F4 2.923(3) no . .
Ag1 O1 3.388(4) no . .
Ag1 B1 3.443(5) no . .
F1 Ag1 2.874(3) no . .
F1 N2 3.179(5) no . 1_554
F1 C2 3.392(5) no . .
F1 C16 3.258(4) no . 1_554
F1 C20 3.404(5) no . 2_554
F1 C26 3.181(5) no . 1_554
F2 C1 3.393(5) no . 4_554
F2 C6 3.077(5) no . 4_554
F2 C28 3.572(8) no . 2_544
F3 N2 3.161(5) no . 1_554
F3 C5 3.482(5) no . 1_554
F3 C14 3.582(6) no . 1_554
F3 C15 3.456(5) no . 1_554
F3 C16 3.218(5) no . 1_554
F3 C17 3.299(5) no . 1_554
F3 C18 3.533(5) no . 1_554
F3 C27 3.573(6) no . 2_544
F3 C28 3.598(8) no . 2_544
F4 Ag1 2.923(3) no . .
F4 N2 3.171(5) no . 1_554
F4 C2 3.401(5) no . .
F4 C17 3.280(4) no . 1_554
F4 C22 3.282(5) no . 1_554
F4 C24 3.453(5) no . 2_544
F4 C27 3.481(6) no . 2_544
F4 C28 3.581(7) no . 2_544
O1 Ag1 3.388(4) no . .
O1 N1 3.501(6) no . .
O1 C12 3.179(6) no . .
O1 C13 3.444(6) no . .
O1 C26 3.301(6) no . 1_554
O2 C12 3.411(7) no . .
O2 C22 3.412(6) no . 1_554
N1 O1 3.501(6) no . .
N2 F1 3.179(5) no . 1_556
N2 F3 3.161(5) no . 1_556
N2 F4 3.171(5) no . 1_556
N2 B1 3.364(7) no . 1_556
C1 F2 3.393(5) no . 4_555
C2 F1 3.392(5) no . .
C2 F4 3.401(5) no . .
C5 F3 3.482(5) no . 1_556
C6 F2 3.077(5) no . 4_555
C12 O1 3.179(6) no . .
C12 O2 3.411(7) no . .
C12 C27 3.596(7) no . .
C13 O1 3.444(6) no . .
C13 C27 3.560(7) no . .
C13 C31 3.596(9) no . .
C14 F3 3.582(6) no . 1_556
C15 F3 3.456(5) no . 1_556
C16 F1 3.258(4) no . 1_556
C16 F3 3.218(5) no . 1_556
C17 F3 3.299(5) no . 1_556
C17 F4 3.280(4) no . 1_556
C18 F3 3.533(5) no . 1_556
C20 F1 3.404(5) no . 2_545
C22 F4 3.282(5) no . 1_556
C22 O2 3.412(6) no . 1_556
C24 F4 3.453(5) no . 2_555
C26 F1 3.181(5) no . 1_556
C26 O1 3.301(6) no . 1_556
C26 C30 3.559(7) no . 1_556
C27 F3 3.573(6) no . 2_555
C27 F4 3.481(6) no . 2_555
C27 C12 3.596(7) no . .
C27 C13 3.560(7) no . .
C28 F2 3.572(8) no . 2_555
C28 F3 3.598(8) no . 2_555
C28 F4 3.581(7) no . 2_555
C30 C26 3.559(7) no . 1_554
C31 C13 3.596(9) no . .
B1 Ag1 3.443(5) no . .
B1 N2 3.364(7) no . 1_554
Ag1 H2 2.7245 no . .
Ag1 H10 3.2411 no . 4_654
Ag1 H12 2.6261 no . .
Ag1 H20 3.5672 no . 2_554
Ag1 H22 2.7086 no . 1_554
Ag1 H24 3.4653 no . 2_544
Ag1 H26 2.6411 no . 1_554
O1 H28A 3.1772 no . .
O1 H28B 2.7634 no . .
O1 H29A 2.8386 no . .
O1 H29B 3.1460 no . .
O2 H32A 2.6196 no . .
O2 H32B 3.1586 no . .
O2 H33A 3.0756 no . .
O2 H33B 2.8299 no . .
N1 H2 2.5783 no . .
N1 H12 2.5837 no . .
N1 H20 3.5860 no . 2_554
N1 H24 3.4559 no . 2_544
N2 H10 2.8959 no . 4_655
N2 H11 3.1984 no . 4_655
N2 H22 2.5821 no . .
N2 H26 2.5750 no . .
C1 H5 3.2638 no . .
C1 H20 3.5490 no . 2_554
C1 H21 3.1330 no . 2_554
C1 H24 3.4455 no . 2_544
C1 H25 3.0168 no . 2_544
C2 H6 3.2482 no . .
C2 H20 2.8999 no . 2_554
C2 H21 3.0127 no . 2_554
C2 H24 2.8105 no . 2_544
C2 H25 2.9238 no . 2_544
C3 H1 3.2593 no . .
C3 H5 3.3111 no . .
C3 H20 3.3625 no . 2_554
C3 H21 3.0103 no . 2_554
C3 H24 3.2536 no . 2_544
C3 H25 2.8699 no . 2_544
C4 H2 3.2936 no . .
C4 H6 3.2613 no . .
C4 H19 3.0988 no . .
C4 H21 3.1101 no . 2_554
C4 H23 3.1099 no . .
C4 H25 2.9269 no . 2_544
C5 H1 3.2534 no . .
C5 H19 3.5926 no . .
C5 H21 3.2161 no . 2_554
C5 H25 3.0457 no . 2_544
C6 H2 3.2565 no . .
C6 H21 3.2234 no . 2_554
C6 H25 3.0885 no . 2_544
C7 H5 2.6732 no . .
C7 H9 2.6620 no . .
C7 H19 2.6317 no . .
C7 H23 2.5702 no . .
C8 H10 3.2598 no . .
C8 H12 3.2915 no . .
C8 H19 3.1347 no . .
C8 H23 3.0393 no . .
C9 H11 3.2353 no . .
C9 H11 3.2156 no . 4_655
C9 H12 3.2565 no . 4_655
C9 H23 3.5027 no . .
C10 H12 3.2513 no . .
C10 H12 3.1827 no . 4_655
C11 H9 3.2447 no . .
C11 H9 3.0044 no . 4_654
C12 H9 3.1872 no . 4_654
C12 H10 3.2453 no . .
C12 H10 3.4535 no . 4_654
C13 H9 3.3042 no . .
C13 H11 3.2527 no . .
C14 H5 2.5735 no . .
C14 H9 2.6024 no . .
C14 H11 3.2627 no . 4_655
C14 H19 2.6593 no . .
C14 H23 2.6923 no . .
C15 H5 3.0996 no . .
C15 H9 3.0263 no . .
C15 H11 3.5605 no . 4_655
C15 H24 3.2608 no . .
C15 H26 3.3001 no . .
C16 H11 3.5149 no . 4_655
C16 H23 3.3084 no . .
C16 H25 3.2514 no . .
C17 H10 3.0444 no . 4_655
C17 H11 2.8489 no . 4_655
C17 H19 3.3048 no . .
C17 H21 3.2480 no . .
C18 H5 3.0641 no . .
C18 H9 3.1405 no . .
C18 H11 2.8739 no . 4_655
C18 H20 3.2634 no . .
C18 H22 3.3031 no . .
C19 H5 3.5898 no . .
C19 H11 3.4489 no . 4_655
C19 H21 3.2396 no . .
C20 H2 3.4807 no . 2_545
C20 H22 3.2657 no . .
C21 H19 3.2510 no . .
C22 H10 3.0214 no . 4_655
C22 H11 3.3907 no . 4_655
C22 H20 3.2568 no . .
C23 H9 3.4833 no . .
C23 H25 3.2424 no . .
C24 H2 3.4292 no . 2_555
C24 H26 3.2573 no . .
C25 H19 3.5779 no . 2_555
C25 H23 3.2540 no . .
C26 H24 3.2479 no . .
C27 H29A 2.7115 no . .
C27 H29B 3.1734 no . .
C27 H30A 2.9985 no . .
C27 H30B 2.9543 no . .
C28 H30A 3.1490 no . .
C28 H30B 2.8221 no . .
C29 H27A 3.1655 no . .
C29 H27B 2.7219 no . .
C30 H27A 3.0840 no . .
C30 H27B 2.8419 no . .
C30 H28A 3.1899 no . .
C30 H28B 2.7396 no . .
C31 H33A 3.2341 no . .
C31 H33B 2.7126 no . .
C31 H34A 2.8941 no . .
C31 H34B 2.8177 no . .
C32 H34A 2.6668 no . .
C32 H34B 2.9962 no . .
C33 H31A 2.6800 no . .
C33 H31B 3.2386 no . .
C34 H31A 2.6400 no . .
C34 H31B 3.0092 no . .
C34 H32A 2.5527 no . .
C34 H32B 3.0391 no . .
H1 H2 2.2738 no . .
H1 H6 2.3496 no . .
H1 H25 3.5601 no . 2_544
H2 H20 2.6572 no . 2_554
H2 H21 3.4734 no . 2_554
H2 H24 2.6148 no . 2_544
H2 H25 3.4443 no . 2_544
H5 H6 2.2893 no . .
H5 H19 3.5648 no . .
H9 H10 2.2786 no . .
H9 H11 2.3618 no . 4_655
H9 H12 2.7336 no . 4_655
H9 H23 3.4684 no . .
H10 H11 2.3441 no . .
H10 H12 2.5940 no . 4_655
H10 H22 2.8722 no . 4_654
H11 H12 2.2696 no . .
H19 H20 2.2846 no . .
H19 H25 3.1109 no . 2_544
H19 H26 3.2831 no . 2_544
H20 H21 2.3415 no . .
H20 H26 3.3307 no . 2_544
H21 H22 2.2806 no . .
H21 H23 3.2245 no . 2_545
H22 H23 3.2958 no . 2_545
H22 H24 3.2604 no . 2_545
H23 H24 2.2756 no . .
H24 H25 2.3560 no . .
H25 H26 2.2619 no . .
H27A H28A 2.5400 no . .
H27A H28B 2.2793 no . .
H27A H30B 3.5304 no . .
H27B H28A 2.2716 no . .
H27B H28B 2.8333 no . .
H27B H29A 2.7602 no . .
H27B H30A 3.2790 no . .
H28A H29A 2.2710 no . .
H28A H29B 2.5307 no . .
H28B H29A 2.8295 no . .
H28B H29B 2.2746 no . .
H28B H30B 2.8878 no . .
H29A H30A 2.2220 no . .
H29A H30B 2.7894 no . .
H29B H30A 2.5646 no . .
H29B H30B 2.2171 no . .
H31A H32A 2.9152 no . .
H31A H32B 2.3974 no . .
H31A H33B 2.6669 no . .
H31A H34A 3.5008 no . .
H31A H34B 2.9862 no . .
H31B H32A 2.3967 no . .
H31B H32B 2.5768 no . .
H31B H34A 3.5475 no . .
H32A H33A 2.3405 no . .
H32A H33B 2.8789 no . .
H32A H34A 2.6959 no . .
H32A H34B 3.4838 no . .
H32B H33A 2.5706 no . .
H32B H33B 2.3443 no . .
H32B H34A 3.5753 no . .
H33A H34A 2.0624 no . .
H33A H34B 2.4535 no . .
H33B H34A 2.6740 no . .
H33B H34B 2.0880 no . .
F1 H2 2.5297 no . .
F1 H19 3.5355 no . 2_554
F1 H20 2.5455 no . 2_554
F1 H26 2.9833 no . 1_554
F1 H29B 3.4083 no . 3_455
F1 H31A 2.9876 no . 2_554
F1 H32B 3.2242 no . 2_554
F2 H1 2.9563 no . 4_554
F2 H2 3.3043 no . .
F2 H6 2.3203 no . 4_554
F2 H28A 2.6177 no . 2_544
F2 H29A 3.0916 no . 3_455
F2 H29B 3.4104 no . 3_455
F2 H32B 2.7505 no . 2_554
F2 H33B 3.4608 no . 2_554
F3 H5 2.5636 no . 1_554
F3 H27B 2.7977 no . 2_544
F3 H28A 2.9917 no . 2_544
F3 H29A 3.3479 no . 2_544
F3 H31A 2.9220 no . 2_554
F3 H32B 3.3370 no . 2_554
F3 H33B 2.8304 no . 2_554
F4 H2 2.5482 no . .
F4 H22 3.1165 no . 1_554
F4 H23 3.5531 no . 2_544
F4 H24 2.6123 no . 2_544
F4 H27A 3.4844 no . 2_544
F4 H27B 2.9615 no . 2_544
F4 H28A 2.8872 no . 2_544
F4 H33A 3.5052 no . 3_445
O1 H12 2.9833 no . .
O1 H26 2.4813 no . 1_554
O2 H10 3.1522 no . 4_654
O2 H12 3.1989 no . .
O2 H22 2.6256 no . 1_554
N1 H27A 3.2040 no . .
N1 H31B 3.1871 no . .
C1 H28A 3.4045 no . 3_455
C1 H29A 3.4776 no . 3_455
C1 H29B 3.2452 no . 3_455
C1 H33A 3.4961 no . 3_445
C2 H29B 3.5603 no . 3_455
C5 H29A 3.4930 no . 2_545
C5 H33B 3.3888 no . 2_555
C5 H34B 3.3138 no . 2_555
C6 H29A 3.1759 no . 2_545
C6 H30A 3.3328 no . 2_545
C6 H33B 3.2422 no . 2_555
C6 H34B 3.0808 no . 2_555
C8 H27A 3.1937 no . .
C8 H31B 3.1100 no . .
C9 H34A 3.0304 no . 4_655
C10 H28B 3.2170 no . .
C10 H34A 2.9673 no . 4_655
C11 H28B 3.0511 no . .
C11 H30B 3.4613 no . .
C11 H32A 3.5376 no . .
C12 H27A 3.2497 no . .
C12 H28B 3.3547 no . .
C12 H30B 3.2016 no . .
C12 H31B 3.0886 no . .
C13 H27A 2.8965 no . .
C13 H31B 2.7952 no . .
C16 H31A 3.5714 no . 2_555
C17 H27B 3.3326 no . 2_545
C18 H27B 3.2820 no . 2_545
C19 H27B 3.2018 no . 2_545
C20 H27A 3.5124 no . 2_545
C20 H27B 3.2001 no . 2_545
C20 H29B 2.9592 no . 4_655
C21 H27A 3.3037 no . 2_545
C21 H27B 3.2586 no . 2_545
C21 H29B 3.4133 no . 4_655
C21 H34B 3.1651 no . 1_556
C22 H27B 3.3190 no . 2_545
C22 H34B 3.2751 no . 1_556
C23 H31A 3.4092 no . 2_555
C23 H33A 3.4903 no . 4_655
C24 H31A 3.2182 no . 2_555
C24 H33A 3.0557 no . 4_655
C25 H30A 3.1645 no . 1_556
C25 H31A 3.1761 no . 2_555
C25 H32A 3.4741 no . 4_655
C25 H33A 3.5820 no . 4_655
C26 H30A 3.0671 no . 1_556
C26 H31A 3.3421 no . 2_555
C26 H32A 3.5022 no . 4_655
C28 H1 3.3756 no . 3_555
C28 H34A 3.5224 no . 4_655
C29 H1 3.0447 no . 3_555
C29 H6 3.3908 no . 2_554
C30 H12 3.3461 no . .
C30 H26 3.0146 no . 1_554
C30 H32A 3.5400 no . 4_654
C30 H32B 3.1516 no . 4_654
C32 H30A 3.1349 no . 4_655
C32 H30B 3.5673 no . 4_655
C33 H1 3.2872 no . 3_545
C33 H6 3.3437 no . 2_544
C34 H10 3.3608 no . 4_654
C34 H21 3.5057 no . 1_554
C34 H22 3.1867 no . 1_554
C34 H28B 3.4072 no . 4_654
B1 H2 2.9310 no . .
B1 H27B 3.3602 no . 2_544
B1 H28A 2.9552 no . 2_544
B1 H31A 3.4120 no . 2_554
B1 H32B 3.2612 no . 2_554
H1 F2 2.9563 no . 4_555
H1 C28 3.3756 no . 3_455
H1 C29 3.0447 no . 3_455
H1 C33 3.2872 no . 3_445
H1 H28A 2.8772 no . 3_455
H1 H29A 2.6879 no . 3_455
H1 H29B 2.8082 no . 3_455
H1 H32B 3.3780 no . 3_445
H1 H33A 2.9827 no . 3_445
H1 H33B 2.9157 no . 3_445
H2 F1 2.5297 no . .
H2 F2 3.3043 no . .
H2 F4 2.5482 no . .
H2 B1 2.9310 no . .
H2 H29B 3.3706 no . 3_455
H5 F3 2.5636 no . 1_556
H5 H27B 3.2263 no . 2_545
H5 H29A 3.1587 no . 2_545
H5 H33B 2.9727 no . 2_555
H5 H34B 3.3484 no . 2_555
H6 F2 2.3203 no . 4_555
H6 C29 3.3908 no . 2_545
H6 C33 3.3437 no . 2_555
H6 H28A 3.2508 no . 3_455
H6 H29A 2.5353 no . 2_545
H6 H30A 3.1266 no . 2_545
H6 H33A 3.4795 no . 2_555
H6 H33B 2.6807 no . 2_555
H6 H34B 2.9476 no . 2_555
H9 H34A 2.8762 no . 4_655
H10 O2 3.1522 no . 4_655
H10 C34 3.3608 no . 4_655
H10 H28B 3.5200 no . .
H10 H34A 2.7583 no . 4_655
H11 H28B 3.2779 no . .
H11 H30B 3.2644 no . .
H12 O1 2.9833 no . .
H12 O2 3.1989 no . .
H12 C30 3.3461 no . .
H12 H27A 3.5980 no . .
H12 H30B 2.7814 no . .
H12 H31B 3.4313 no . .
H19 F1 3.5355 no . 2_545
H19 H31B 3.0044 no . .
H20 F1 2.5455 no . 2_545
H20 H29B 2.6797 no . 4_655
H21 C34 3.5057 no . 1_556
H21 H27A 3.3989 no . 2_545
H21 H29B 3.4469 no . 4_655
H21 H34B 2.6452 no . 1_556
H22 F4 3.1165 no . 1_556
H22 O2 2.6256 no . 1_556
H22 C34 3.1867 no . 1_556
H22 H34A 3.3883 no . 1_556
H22 H34B 2.8771 no . 1_556
H23 F4 3.5531 no . 2_555
H23 H27A 2.9123 no . .
H24 F4 2.6123 no . 2_555
H24 H33A 2.9272 no . 4_655
H25 H30A 2.8969 no . 1_556
H25 H31A 3.5549 no . 2_555
H25 H31B 3.5987 no . 2_555
H26 F1 2.9833 no . 1_556
H26 O1 2.4813 no . 1_556
H26 C30 3.0146 no . 1_556
H26 H30A 2.7273 no . 1_556
H26 H30B 3.3079 no . 1_556
H27A F4 3.4844 no . 2_555
H27A N1 3.2040 no . .
H27A C8 3.1937 no . .
H27A C12 3.2497 no . .
H27A C13 2.8965 no . .
H27A C20 3.5124 no . 2_554
H27A C21 3.3037 no . 2_554
H27A H12 3.5980 no . .
H27A H21 3.3989 no . 2_554
H27A H23 2.9123 no . .
H27B F3 2.7977 no . 2_555
H27B F4 2.9615 no . 2_555
H27B C17 3.3326 no . 2_554
H27B C18 3.2820 no . 2_554
H27B C19 3.2018 no . 2_554
H27B C20 3.2001 no . 2_554
H27B C21 3.2586 no . 2_554
H27B C22 3.3190 no . 2_554
H27B B1 3.3602 no . 2_555
H27B H5 3.2263 no . 2_554
H28A F2 2.6177 no . 2_555
H28A F3 2.9917 no . 2_555
H28A F4 2.8872 no . 2_555
H28A C1 3.4045 no . 3_555
H28A B1 2.9552 no . 2_555
H28A H1 2.8772 no . 3_555
H28A H6 3.2508 no . 3_555
H28A H33A 3.5631 no . 4_655
H28A H34A 3.3844 no . 4_655
H28A H34B 3.3303 no . 4_655
H28B C10 3.2170 no . .
H28B C11 3.0511 no . .
H28B C12 3.3547 no . .
H28B C34 3.4072 no . 4_655
H28B H10 3.5200 no . .
H28B H11 3.2779 no . .
H28B H34A 2.8182 no . 4_655
H28B H34B 3.0755 no . 4_655
H29A F2 3.0916 no . 3_555
H29A F3 3.3479 no . 2_555
H29A C1 3.4776 no . 3_555
H29A C5 3.4930 no . 2_554
H29A C6 3.1759 no . 2_554
H29A H1 2.6879 no . 3_555
H29A H5 3.1587 no . 2_554
H29A H6 2.5353 no . 2_554
H29A H33B 3.2490 no . 1_565
H29B F1 3.4083 no . 3_555
H29B F2 3.4104 no . 3_555
H29B C1 3.2452 no . 3_555
H29B C2 3.5603 no . 3_555
H29B C20 2.9592 no . 4_654
H29B C21 3.4133 no . 4_654
H29B H1 2.8082 no . 3_555
H29B H2 3.3706 no . 3_555
H29B H20 2.6797 no . 4_654
H29B H21 3.4469 no . 4_654
H29B H32B 3.5954 no . 4_654
H30A C6 3.3328 no . 2_554
H30A C25 3.1645 no . 1_554
H30A C26 3.0671 no . 1_554
H30A C32 3.1349 no . 4_654
H30A H6 3.1266 no . 2_554
H30A H25 2.8969 no . 1_554
H30A H26 2.7273 no . 1_554
H30A H32A 2.9153 no . 4_654
H30A H32B 2.4941 no . 4_654
H30B C11 3.4613 no . .
H30B C12 3.2016 no . .
H30B C32 3.5673 no . 4_654
H30B H11 3.2644 no . .
H30B H12 2.7814 no . .
H30B H26 3.3079 no . 1_554
H30B H32A 3.2498 no . 4_654
H30B H32B 3.0744 no . 4_654
H31A F1 2.9876 no . 2_545
H31A F3 2.9220 no . 2_545
H31A C16 3.5714 no . 2_544
H31A C23 3.4092 no . 2_544
H31A C24 3.2182 no . 2_544
H31A C25 3.1761 no . 2_544
H31A C26 3.3421 no . 2_544
H31A B1 3.4120 no . 2_545
H31A H25 3.5549 no . 2_544
H31B N1 3.1871 no . .
H31B C8 3.1100 no . .
H31B C12 3.0886 no . .
H31B C13 2.7952 no . .
H31B H12 3.4313 no . .
H31B H19 3.0044 no . .
H31B H25 3.5987 no . 2_544
H32A C11 3.5376 no . .
H32A C25 3.4741 no . 4_654
H32A C26 3.5022 no . 4_654
H32A C30 3.5400 no . 4_655
H32A H30A 2.9153 no . 4_655
H32A H30B 3.2498 no . 4_655
H32B F1 3.2242 no . 2_545
H32B F2 2.7505 no . 2_545
H32B F3 3.3370 no . 2_545
H32B C30 3.1516 no . 4_655
H32B B1 3.2612 no . 2_545
H32B H1 3.3780 no . 3_545
H32B H29B 3.5954 no . 4_655
H32B H30A 2.4941 no . 4_655
H32B H30B 3.0744 no . 4_655
H33A F4 3.5052 no . 3_545
H33A C1 3.4961 no . 3_545
H33A C23 3.4903 no . 4_654
H33A C24 3.0557 no . 4_654
H33A C25 3.5820 no . 4_654
H33A H1 2.9827 no . 3_545
H33A H6 3.4795 no . 2_544
H33A H24 2.9272 no . 4_654
H33A H28A 3.5631 no . 4_654
H33B F2 3.4608 no . 2_545
H33B F3 2.8304 no . 2_545
H33B C5 3.3888 no . 2_544
H33B C6 3.2422 no . 2_544
H33B H1 2.9157 no . 3_545
H33B H5 2.9727 no . 2_544
H33B H6 2.6807 no . 2_544
H33B H29A 3.2490 no . 1_545
H34A C9 3.0304 no . 4_654
H34A C10 2.9673 no . 4_654
H34A C28 3.5224 no . 4_654
H34A H9 2.8762 no . 4_654
H34A H10 2.7583 no . 4_654
H34A H22 3.3883 no . 1_554
H34A H28A 3.3844 no . 4_654
H34A H28B 2.8182 no . 4_654
H34B C5 3.3138 no . 2_544
H34B C6 3.0808 no . 2_544
H34B C21 3.1651 no . 1_554
H34B C22 3.2751 no . 1_554
H34B H5 3.3484 no . 2_544
H34B H6 2.9476 no . 2_544
H34B H21 2.6452 no . 1_554
H34B H22 2.8771 no . 1_554
H34B H28A 3.3303 no . 4_654
H34B H28B 3.0755 no . 4_654

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# 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_mfu105-3c-3
_database_code_depnum_ccdc_archive 'CCDC 1523069'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C30 H16 Ag2 F6 N2 O4'
_chemical_formula_moiety         'C30 H16 Ag2 F6 N2 O4'
_chemical_formula_weight         798.19
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
_space_group_IT_number           15
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   22.764(6)
_cell_length_b                   11.314(2)
_cell_length_c                   22.613(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.182(4)
_cell_angle_gamma                90.0000
_cell_volume                     5501(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5301
_cell_measurement_theta_min      3.25
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.928
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3120.00
_exptl_absorpt_coefficient_mu    1.502
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_T_max  1.000

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.811
_diffrn_reflns_number            86524
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_theta_max         27.516
_diffrn_reflns_theta_min         3.365
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             6311
_reflns_number_gt                5141
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.1047
_refine_ls_wR_factor_gt          0.0971
_refine_ls_number_restraints     36
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         6311
_refine_ls_number_parameters     397
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0480P)²+51.7090P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         3.66
_refine_diff_density_min         -1.75
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Ag Ag -0.8971 1.1015
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.44564(2) 0.86015(3) 0.48306(2) 0.01608(9) Uani 1 8 d . . .
Ag2 Ag 0.48270(2) 0.63789(3) 0.44058(2) 0.01742(9) Uani 1 8 d . . .
F1 F 0.46975(14) 0.5031(2) 0.65084(13) 0.0353(6) Uani 1 8 d . . .
F2 F 0.54621(12) 0.6249(3) 0.68416(11) 0.0291(6) Uani 1 8 d . . .
F3 F 0.45426(12) 0.6778(3) 0.68050(11) 0.0298(6) Uani 1 8 d . . .
F4 F 0.68294(13) 0.8369(3) 0.46627(15) 0.0383(6) Uani 1 8 d . . .
F5 F 0.6249(2) 0.9540(4) 0.3973(2) 0.0766(10) Uani 1 8 d . . .
F6 F 0.65390(19) 1.0103(4) 0.4869(3) 0.0806(11) Uani 1 8 d . . .
O1 O 0.48713(13) 0.5922(3) 0.54634(12) 0.0197(6) Uani 1 8 d . . .
O2 O 0.45542(14) 0.7664(3) 0.57396(13) 0.0246(6) Uani 1 8 d . . .
O3 O 0.56435(13) 0.7583(3) 0.43900(14) 0.0246(6) Uani 1 8 d . . .
O4 O 0.54893(12) 0.9170(3) 0.49233(13) 0.0211(6) Uani 1 8 d . . .
N1 N 0.36730(14) 0.8763(3) 0.39228(14) 0.0149(6) Uani 1 8 d . . .
N2 N 0.10518(14) 1.0859(3) 0.13984(14) 0.0153(6) Uani 1 8 d . . .
C1 C 0.44208(18) 1.0697(4) 0.3105(2) 0.0237(9) Uani 1 8 d . . .
C2 C 0.43347(18) 0.9971(4) 0.35449(18) 0.0200(8) Uani 1 8 d . . .
C3 C 0.37301(17) 0.9526(4) 0.34858(17) 0.0162(7) Uani 1 8 d . . .
C4 C 0.32043(17) 0.9901(4) 0.29636(17) 0.0172(8) Uani 1 8 d . . .
C5 C 0.33164(19) 1.0690(4) 0.25170(19) 0.0228(9) Uani 1 8 d . . .
C6 C 0.3907(2) 1.1057(4) 0.2583(2) 0.0275(10) Uani 1 8 d . . .
C7 C 0.26074(17) 0.9486(4) 0.29216(16) 0.0152(7) Uani 1 8 d . . .
C8 C 0.25483(17) 0.8696(3) 0.33786(17) 0.0144(7) Uani 1 8 d . . .
C9 C 0.19620(17) 0.8252(4) 0.33858(17) 0.0165(7) Uani 1 8 d . . .
C10 C 0.19293(18) 0.7467(4) 0.38316(17) 0.0184(8) Uani 1 8 d . . .
C11 C 0.24830(19) 0.7059(4) 0.42910(18) 0.0190(8) Uani 1 8 d . . .
C12 C 0.30513(18) 0.7484(4) 0.43172(17) 0.0173(8) Uani 1 8 d . . .
C13 C 0.31030(17) 0.8327(3) 0.38687(16) 0.0142(7) Uani 1 8 d . . .
C14 C 0.20499(16) 0.9922(4) 0.24016(17) 0.0150(7) Uani 1 8 d . . .
C15 C 0.19387(16) 0.9516(4) 0.17871(16) 0.0142(7) Uani 1 8 d . . .
C16 C 0.14295(17) 1.0026(4) 0.12932(17) 0.0150(7) Uani 1 8 d . . .
C17 C 0.11489(17) 1.1219(3) 0.19940(17) 0.0149(7) Uani 1 8 d . . .
C18 C 0.16465(16) 1.0760(3) 0.25158(16) 0.0142(7) Uani 1 8 d . . .
C19 C 0.16982(18) 1.1160(4) 0.31332(17) 0.0180(8) Uani 1 8 d . . .
C20 C 0.12948(18) 1.1969(4) 0.32212(19) 0.0212(8) Uani 1 8 d . . .
C21 C 0.08195(18) 1.2462(4) 0.2701(2) 0.0224(9) Uani 1 8 d . . .
C22 C 0.07462(18) 1.2090(4) 0.21056(18) 0.0196(8) Uani 1 8 d . . .
C23 C 0.23069(18) 0.8626(4) 0.16313(19) 0.0209(8) Uani 1 8 d . . .
C24 C 0.21876(19) 0.8279(4) 0.10274(19) 0.0232(9) Uani 1 8 d . . .
C25 C 0.17019(19) 0.8822(4) 0.05358(19) 0.0224(9) Uani 1 8 d . . .
C26 C 0.13316(17) 0.9653(4) 0.06644(18) 0.0184(8) Uani 1 8 d . . .
C27 C 0.47431(17) 0.6633(4) 0.58269(17) 0.0157(7) Uani 1 8 d . . .
C28 C 0.4856(2) 0.6163(4) 0.65013(18) 0.0212(8) Uani 1 8 d . . .
C29 C 0.57715(18) 0.8561(4) 0.4653(2) 0.0211(8) Uani 1 8 d . . .
C30 C 0.6378(2) 0.9127(5) 0.4604(4) 0.0502(9) Uani 1 8 d . . .
H1 H 0.48187 1.09629 0.31448 0.0285 Uiso 1 8 calc R . .
H2 H 0.4673 0.97589 0.389 0.0241 Uiso 1 8 calc R . .
H5 H 0.29845 1.09558 0.21794 0.0274 Uiso 1 8 calc R . .
H6 H 0.3974 1.15487 0.22812 0.0330 Uiso 1 8 calc R . .
H9 H 0.15979 0.85018 0.30819 0.0197 Uiso 1 8 calc R . .
H10 H 0.15443 0.7199 0.38352 0.0221 Uiso 1 8 calc R . .
H11 H 0.2457 0.64915 0.4579 0.0228 Uiso 1 8 calc R . .
H12 H 0.34068 0.72221 0.46291 0.0207 Uiso 1 8 calc R . .
H19 H 0.2012 1.086 0.34772 0.0216 Uiso 1 8 calc R . .
H20 H 0.13288 1.22037 0.36253 0.0254 Uiso 1 8 calc R . .
H21 H 0.05575 1.30411 0.27667 0.0269 Uiso 1 8 calc R . .
H22 H 0.043 1.2409 0.17702 0.0235 Uiso 1 8 calc R . .
H23 H 0.26325 0.82785 0.19467 0.0251 Uiso 1 8 calc R . .
H24 H 0.24249 0.76827 0.09347 0.0278 Uiso 1 8 calc R . .
H25 H 0.1638 0.86053 0.01227 0.0269 Uiso 1 8 calc R . .
H26 H 0.10096 0.99841 0.03389 0.0221 Uiso 1 8 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ag1 Ag2 2.9138(7) yes . .
Ag1 O2 2.258(3) yes . .
Ag1 O4 2.379(3) yes . .
Ag1 N1 2.241(3) yes . .
Ag2 O1 2.416(3) yes . .
Ag2 O3 2.314(3) yes . .
Ag2 N2 2.294(3) yes . 6_545
F1 C28 1.333(5) yes . .
F2 C28 1.345(5) yes . .
F3 C28 1.336(6) yes . .
F4 C30 1.312(7) yes . .
F5 C30 1.437(9) yes . .
F6 C30 1.253(7) yes . .
O1 C27 1.251(5) yes . .
O2 C27 1.237(5) yes . .
O3 C29 1.245(5) yes . .
O4 C29 1.233(6) yes . .
N1 C3 1.351(5) yes . .
N1 C13 1.355(5) yes . .
N2 C16 1.348(5) yes . .
N2 C17 1.354(5) yes . .
C1 C2 1.353(6) yes . .
C1 C6 1.421(5) yes . .
C2 C3 1.430(6) yes . .
C3 C4 1.442(5) yes . .
C4 C5 1.432(6) yes . .
C4 C7 1.411(6) yes . .
C5 C6 1.369(6) yes . .
C7 C8 1.406(6) yes . .
C7 C14 1.502(5) yes . .
C8 C9 1.431(6) yes . .
C8 C13 1.441(5) yes . .
C9 C10 1.363(6) yes . .
C10 C11 1.422(5) yes . .
C11 C12 1.363(6) yes . .
C12 C13 1.425(6) yes . .
C14 C15 1.405(5) yes . .
C14 C18 1.402(6) yes . .
C15 C16 1.440(5) yes . .
C15 C23 1.427(6) yes . .
C16 C26 1.429(6) yes . .
C17 C18 1.438(5) yes . .
C17 C22 1.424(6) yes . .
C18 C19 1.435(5) yes . .
C19 C20 1.357(6) yes . .
C20 C21 1.425(5) yes . .
C21 C22 1.367(6) yes . .
C23 C24 1.360(6) yes . .
C24 C25 1.424(5) yes . .
C25 C26 1.356(6) yes . .
C27 C28 1.555(6) yes . .
C29 C30 1.557(8) yes . .
C1 H1 0.930 no . .
C2 H2 0.930 no . .
C5 H5 0.930 no . .
C6 H6 0.930 no . .
C9 H9 0.930 no . .
C10 H10 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C19 H19 0.930 no . .
C20 H20 0.930 no . .
C21 H21 0.930 no . .
C22 H22 0.930 no . .
C23 H23 0.930 no . .
C24 H24 0.930 no . .
C25 H25 0.930 no . .
C26 H26 0.930 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Ag2 Ag1 O2 86.69(8) yes . . .
Ag2 Ag1 O4 82.96(8) yes . . .
Ag2 Ag1 N1 89.87(9) yes . . .
O2 Ag1 O4 104.34(10) yes . . .
O2 Ag1 N1 133.07(12) yes . . .
O4 Ag1 N1 121.64(12) yes . . .
Ag1 Ag2 O1 77.34(7) yes . . .
Ag1 Ag2 O3 79.52(8) yes . . .
Ag1 Ag2 N2 102.19(9) yes . . 6_545
O1 Ag2 O3 111.64(10) yes . . .
O1 Ag2 N2 118.13(11) yes . . 6_545
O3 Ag2 N2 129.37(12) yes . . 6_545
Ag2 O1 C27 124.7(3) yes . . .
Ag1 O2 C27 120.9(3) yes . . .
Ag2 O3 C29 125.4(3) yes . . .
Ag1 O4 C29 117.8(3) yes . . .
Ag1 N1 C3 118.9(2) yes . . .
Ag1 N1 C13 120.2(2) yes . . .
C3 N1 C13 119.1(3) yes . . .
Ag2 N2 C16 118.7(2) yes 6_555 . .
Ag2 N2 C17 121.7(3) yes 6_555 . .
C16 N2 C17 118.7(3) yes . . .
C2 C1 C6 120.4(4) yes . . .
C1 C2 C3 120.8(3) yes . . .
N1 C3 C2 118.6(3) yes . . .
N1 C3 C4 122.3(4) yes . . .
C2 C3 C4 119.2(4) yes . . .
C3 C4 C5 118.0(4) yes . . .
C3 C4 C7 118.6(4) yes . . .
C5 C4 C7 123.4(3) yes . . .
C4 C5 C6 120.6(3) yes . . .
C1 C6 C5 120.9(4) yes . . .
C4 C7 C8 119.0(3) yes . . .
C4 C7 C14 119.4(3) yes . . .
C8 C7 C14 121.6(3) yes . . .
C7 C8 C9 123.1(3) yes . . .
C7 C8 C13 118.6(4) yes . . .
C9 C8 C13 118.3(4) yes . . .
C8 C9 C10 121.0(3) yes . . .
C9 C10 C11 120.1(4) yes . . .
C10 C11 C12 121.2(4) yes . . .
C11 C12 C13 120.3(3) yes . . .
N1 C13 C8 122.3(3) yes . . .
N1 C13 C12 118.7(3) yes . . .
C8 C13 C12 119.0(4) yes . . .
C7 C14 C15 119.9(3) yes . . .
C7 C14 C18 120.9(3) yes . . .
C15 C14 C18 119.2(3) yes . . .
C14 C15 C16 118.2(4) yes . . .
C14 C15 C23 123.1(3) yes . . .
C16 C15 C23 118.7(3) yes . . .
N2 C16 C15 122.7(3) yes . . .
N2 C16 C26 118.8(3) yes . . .
C15 C16 C26 118.4(4) yes . . .
N2 C17 C18 122.3(4) yes . . .
N2 C17 C22 118.7(3) yes . . .
C18 C17 C22 119.0(3) yes . . .
C14 C18 C17 118.7(3) yes . . .
C14 C18 C19 122.9(3) yes . . .
C17 C18 C19 118.4(4) yes . . .
C18 C19 C20 120.8(3) yes . . .
C19 C20 C21 120.7(4) yes . . .
C20 C21 C22 120.4(4) yes . . .
C17 C22 C21 120.7(3) yes . . .
C15 C23 C24 120.8(3) yes . . .
C23 C24 C25 120.5(4) yes . . .
C24 C25 C26 120.6(4) yes . . .
C16 C26 C25 120.9(3) yes . . .
O1 C27 O2 130.2(4) yes . . .
O1 C27 C28 115.2(3) yes . . .
O2 C27 C28 114.6(4) yes . . .
F1 C28 F2 107.1(3) yes . . .
F1 C28 F3 107.6(4) yes . . .
F1 C28 C27 112.5(3) yes . . .
F2 C28 F3 106.8(3) yes . . .
F2 C28 C27 110.1(4) yes . . .
F3 C28 C27 112.5(3) yes . . .
O3 C29 O4 130.9(4) yes . . .
O3 C29 C30 113.9(5) yes . . .
O4 C29 C30 115.1(4) yes . . .
F4 C30 F5 102.2(6) yes . . .
F4 C30 F6 115.5(4) yes . . .
F4 C30 C29 114.1(5) yes . . .
F5 C30 F6 97.0(5) yes . . .
F5 C30 C29 107.9(4) yes . . .
F6 C30 C29 117.1(6) yes . . .
C2 C1 H1 119.775 no . . .
C6 C1 H1 119.784 no . . .
C1 C2 H2 119.581 no . . .
C3 C2 H2 119.584 no . . .
C4 C5 H5 119.685 no . . .
C6 C5 H5 119.716 no . . .
C1 C6 H6 119.529 no . . .
C5 C6 H6 119.535 no . . .
C8 C9 H9 119.514 no . . .
C10 C9 H9 119.504 no . . .
C9 C10 H10 119.962 no . . .
C11 C10 H10 119.962 no . . .
C10 C11 H11 119.396 no . . .
C12 C11 H11 119.391 no . . .
C11 C12 H12 119.858 no . . .
C13 C12 H12 119.863 no . . .
C18 C19 H19 119.603 no . . .
C20 C19 H19 119.603 no . . .
C19 C20 H20 119.669 no . . .
C21 C20 H20 119.655 no . . .
C20 C21 H21 119.780 no . . .
C22 C21 H21 119.805 no . . .
C17 C22 H22 119.662 no . . .
C21 C22 H22 119.660 no . . .
C15 C23 H23 119.588 no . . .
C24 C23 H23 119.603 no . . .
C23 C24 H24 119.773 no . . .
C25 C24 H24 119.771 no . . .
C24 C25 H25 119.685 no . . .
C26 C25 H25 119.680 no . . .
C16 C26 H26 119.552 no . . .
C25 C26 H26 119.553 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ag2 Ag1 O2 C27 3.5(2) no . . . .
O2 Ag1 Ag2 O1 -1.46(8) no . . . .
O2 Ag1 Ag2 O3 -116.66(8) no . . . .
O2 Ag1 Ag2 N2 115.03(8) no . . . 6_545
Ag2 Ag1 O4 C29 16.22(18) no . . . .
O4 Ag1 Ag2 O1 103.44(7) no . . . .
O4 Ag1 Ag2 O3 -11.76(7) no . . . .
O4 Ag1 Ag2 N2 -140.08(7) no . . . 6_545
Ag2 Ag1 N1 C3 -103.5(2) no . . . .
Ag2 Ag1 N1 C13 92.0(2) no . . . .
N1 Ag1 Ag2 O1 -134.63(9) no . . . .
N1 Ag1 Ag2 O3 110.17(9) no . . . .
N1 Ag1 Ag2 N2 -18.14(9) no . . . 6_545
O2 Ag1 O4 C29 101.0(2) no . . . .
O4 Ag1 O2 C27 -78.3(2) no . . . .
O2 Ag1 N1 C3 171.18(18) no . . . .
O2 Ag1 N1 C13 6.6(3) no . . . .
N1 Ag1 O2 C27 90.2(3) no . . . .
O4 Ag1 N1 C3 -21.8(3) no . . . .
O4 Ag1 N1 C13 173.62(19) no . . . .
N1 Ag1 O4 C29 -69.3(2) no . . . .
Ag1 Ag2 O1 C27 0.37(19) no . . . .
Ag1 Ag2 O3 C29 15.64(19) no . . . .
Ag1 Ag2 N2 C16 -101.6(2) no . . 6_545 6_545
Ag1 Ag2 N2 C17 89.1(2) no . . 6_545 6_545
O1 Ag2 O3 C29 -56.1(2) no . . . .
O3 Ag2 O1 C27 73.5(2) no . . . .
O1 Ag2 N2 C16 -19.6(3) no . . 6_545 6_545
O1 Ag2 N2 C17 171.1(2) no . . 6_545 6_545
N2 Ag2 O1 C27 -96.8(2) no 6_545 . . .
O3 Ag2 N2 C16 172.00(18) no . . 6_545 6_545
O3 Ag2 N2 C17 2.7(3) no . . 6_545 6_545
N2 Ag2 O3 C29 112.9(2) no 6_545 . . .
Ag2 O1 C27 O2 2.6(6) no . . . .
Ag2 O1 C27 C28 -175.44(16) no . . . .
Ag1 O2 C27 O1 -4.7(5) no . . . .
Ag1 O2 C27 C28 173.37(17) no . . . .
Ag2 O3 C29 O4 -7.3(6) no . . . .
Ag2 O3 C29 C30 175.56(16) no . . . .
Ag1 O4 C29 O3 -10.4(6) no . . . .
Ag1 O4 C29 C30 166.76(17) no . . . .
Ag1 N1 C3 C2 15.8(5) no . . . .
Ag1 N1 C3 C4 -164.4(2) no . . . .
Ag1 N1 C13 C8 161.2(2) no . . . .
Ag1 N1 C13 C12 -18.1(4) no . . . .
C3 N1 C13 C8 -3.3(5) no . . . .
C3 N1 C13 C12 177.4(3) no . . . .
C13 N1 C3 C2 -179.4(3) no . . . .
C13 N1 C3 C4 0.3(6) no . . . .
Ag2 N2 C16 C15 -170.6(2) no 6_555 . . .
Ag2 N2 C16 C26 11.0(5) no 6_555 . . .
Ag2 N2 C17 C18 170.4(2) no 6_555 . . .
Ag2 N2 C17 C22 -10.1(5) no 6_555 . . .
C16 N2 C17 C18 1.1(6) no . . . .
C16 N2 C17 C22 -179.4(3) no . . . .
C17 N2 C16 C15 -1.0(6) no . . . .
C17 N2 C16 C26 -179.4(3) no . . . .
C2 C1 C6 C5 0.8(7) no . . . .
C6 C1 C2 C3 1.7(7) no . . . .
C1 C2 C3 N1 177.1(4) no . . . .
C1 C2 C3 C4 -2.7(6) no . . . .
N1 C3 C4 C5 -178.4(3) no . . . .
N1 C3 C4 C7 2.3(6) no . . . .
C2 C3 C4 C5 1.3(6) no . . . .
C2 C3 C4 C7 -177.9(3) no . . . .
C3 C4 C5 C6 1.0(6) no . . . .
C3 C4 C7 C8 -1.9(6) no . . . .
C3 C4 C7 C14 176.5(3) no . . . .
C5 C4 C7 C8 178.9(4) no . . . .
C5 C4 C7 C14 -2.7(6) no . . . .
C7 C4 C5 C6 -179.7(4) no . . . .
C4 C5 C6 C1 -2.1(7) no . . . .
C4 C7 C8 C9 178.3(3) no . . . .
C4 C7 C8 C13 -0.9(5) no . . . .
C4 C7 C14 C15 73.7(5) no . . . .
C4 C7 C14 C18 -104.3(4) no . . . .
C8 C7 C14 C15 -108.0(4) no . . . .
C8 C7 C14 C18 74.0(5) no . . . .
C14 C7 C8 C9 -0.1(6) no . . . .
C14 C7 C8 C13 -179.2(3) no . . . .
C7 C8 C9 C10 178.6(3) no . . . .
C7 C8 C13 N1 3.6(6) no . . . .
C7 C8 C13 C12 -177.1(3) no . . . .
C9 C8 C13 N1 -175.6(3) no . . . .
C9 C8 C13 C12 3.7(5) no . . . .
C13 C8 C9 C10 -2.2(6) no . . . .
C8 C9 C10 C11 -1.3(6) no . . . .
C9 C10 C11 C12 3.5(6) no . . . .
C10 C11 C12 C13 -1.9(6) no . . . .
C11 C12 C13 N1 177.6(3) no . . . .
C11 C12 C13 C8 -1.7(6) no . . . .
C7 C14 C15 C16 -175.0(3) no . . . .
C7 C14 C15 C23 4.9(6) no . . . .
C7 C14 C18 C17 175.0(3) no . . . .
C7 C14 C18 C19 -6.6(6) no . . . .
C15 C14 C18 C17 -3.0(5) no . . . .
C15 C14 C18 C19 175.4(3) no . . . .
C18 C14 C15 C16 3.1(5) no . . . .
C18 C14 C15 C23 -177.0(3) no . . . .
C14 C15 C16 N2 -1.1(6) no . . . .
C14 C15 C16 C26 177.3(3) no . . . .
C14 C15 C23 C24 -178.7(3) no . . . .
C16 C15 C23 C24 1.2(6) no . . . .
C23 C15 C16 N2 179.0(3) no . . . .
C23 C15 C16 C26 -2.6(5) no . . . .
N2 C16 C26 C25 179.7(3) no . . . .
C15 C16 C26 C25 1.2(6) no . . . .
N2 C17 C18 C14 0.9(6) no . . . .
N2 C17 C18 C19 -177.5(3) no . . . .
N2 C17 C22 C21 178.7(3) no . . . .
C18 C17 C22 C21 -1.8(6) no . . . .
C22 C17 C18 C14 -178.6(3) no . . . .
C22 C17 C18 C19 3.0(5) no . . . .
C14 C18 C19 C20 -179.7(3) no . . . .
C17 C18 C19 C20 -1.3(6) no . . . .
C18 C19 C20 C21 -1.5(6) no . . . .
C19 C20 C21 C22 2.8(6) no . . . .
C20 C21 C22 C17 -1.1(6) no . . . .
C15 C23 C24 C25 1.7(6) no . . . .
C23 C24 C25 C26 -3.2(7) no . . . .
C24 C25 C26 C16 1.7(6) no . . . .
O1 C27 C28 F1 -38.9(5) no . . . .
O1 C27 C28 F2 80.5(4) no . . . .
O1 C27 C28 F3 -160.6(3) no . . . .
O2 C27 C28 F1 142.7(3) no . . . .
O2 C27 C28 F2 -97.9(4) no . . . .
O2 C27 C28 F3 21.1(5) no . . . .
O3 C29 C30 F4 -39.4(7) no . . . .
O3 C29 C30 F5 73.4(5) no . . . .
O3 C29 C30 F6 -178.6(4) no . . . .
O4 C29 C30 F4 143.0(5) no . . . .
O4 C29 C30 F5 -104.2(5) no . . . .
O4 C29 C30 F6 3.8(7) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ag1 C2 3.225(4) no . .
Ag1 C12 3.277(4) no . .
Ag2 C22 3.332(4) no . 6_545
Ag2 C26 3.243(4) no . 6_545
F1 O1 2.715(4) no . .
F1 O2 3.411(4) no . .
F2 O1 2.984(3) no . .
F2 O2 3.108(4) no . .
F3 O1 3.492(4) no . .
F3 O2 2.618(4) no . .
F4 O3 2.714(4) no . .
F4 O4 3.414(5) no . .
F5 O3 2.923(6) no . .
F5 O4 3.198(7) no . .
F6 O3 3.465(5) no . .
F6 O4 2.651(6) no . .
O1 C26 3.387(4) no . 6_545
O4 C2 3.473(4) no . .
N1 N2 3.466(5) no . 6_545
N1 C7 2.841(4) no . .
N1 C22 3.572(6) no . 6_545
N2 C12 3.512(6) no . 6_555
N2 C13 3.554(5) no . 6_555
N2 C14 2.836(4) no . .
C1 C4 2.829(6) no . .
C2 C5 2.810(5) no . .
C2 C22 3.556(6) no . 6_545
C3 C6 2.806(7) no . .
C3 C8 2.784(6) no . .
C3 C22 3.443(6) no . 6_545
C4 C13 2.779(6) no . .
C4 C15 3.245(4) no . .
C4 C18 3.491(5) no . .
C4 C23 3.360(5) no . .
C5 C9 3.481(6) no . 6_555
C5 C10 3.540(6) no . 6_555
C5 C14 2.939(6) no . .
C5 C15 3.305(5) no . .
C5 C23 3.424(6) no . .
C6 C9 3.468(6) no . 6_555
C6 C10 3.521(6) no . 6_555
C7 C19 2.957(6) no . .
C7 C23 2.936(6) no . .
C8 C11 2.813(6) no . .
C8 C15 3.529(5) no . .
C8 C18 3.293(5) no . .
C8 C19 3.334(6) no . .
C9 C12 2.812(5) no . .
C9 C14 2.976(6) no . .
C9 C18 3.393(5) no . .
C9 C19 3.359(6) no . .
C10 C13 2.819(6) no . .
C12 C16 3.479(6) no . 6_545
C12 C26 3.492(6) no . 6_545
C15 C17 2.778(6) no . .
C15 C25 2.813(6) no . .
C16 C18 2.771(5) no . .
C16 C24 2.816(6) no . .
C17 C20 2.815(6) no . .
C18 C21 2.819(6) no . .
C19 C22 2.810(5) no . .
C19 C23 3.522(6) no . 6_555
C19 C24 3.553(6) no . 6_555
C23 C26 2.805(5) no . .
Ag1 F6 2.959(5) no . 3_676
Ag1 O4 2.577(3) no . 3_676
Ag1 C29 3.512(4) no . 3_676
Ag2 F1 3.075(3) no . 3_666
Ag2 O1 2.684(3) no . 3_666
F1 Ag2 3.075(3) no . 3_666
F1 O3 3.526(4) no . 3_666
F1 N2 3.329(5) no . 8_565
F1 C17 3.426(5) no . 8_565
F1 C20 3.391(6) no . 7_566
F1 C22 3.341(5) no . 8_565
F2 F3 3.122(4) no . 2_656
F2 N2 3.063(5) no . 8_565
F2 C1 3.464(5) no . 3_676
F2 C6 3.437(5) no . 3_676
F2 C15 3.512(5) no . 8_565
F2 C16 3.204(5) no . 8_565
F2 C17 3.164(5) no . 8_565
F2 C18 3.473(4) no . 8_565
F3 F2 3.122(4) no . 2_656
F3 F3 3.149(3) no . 2_656
F3 C6 3.585(6) no . 4_575
F3 C9 3.309(5) no . 7_566
F3 C10 3.295(5) no . 7_566
F4 F4 3.530(4) no . 7_666
F4 C20 3.466(5) no . 5_545
F4 C24 3.122(6) no . 2_655
F4 C24 3.466(5) no . 8_565
F4 C25 3.554(6) no . 2_655
F4 C25 3.241(6) no . 8_565
F5 C20 3.388(7) no . 5_545
F5 C21 3.593(6) no . 5_545
F6 Ag1 2.959(5) no . 3_676
F6 O2 3.496(5) no . 3_676
F6 N1 3.195(7) no . 3_676
F6 C12 3.253(6) no . 3_676
F6 C13 3.230(6) no . 3_676
O1 Ag2 2.684(3) no . 3_666
O1 O1 3.145(4) no . 3_666
O1 N2 3.467(4) no . 8_565
O1 C16 3.589(4) no . 8_565
O1 C26 3.269(5) no . 8_565
O2 F6 3.496(5) no . 3_676
O2 C1 3.420(5) no . 3_676
O3 F1 3.526(4) no . 3_666
O3 C20 3.499(6) no . 5_545
O3 C25 3.308(5) no . 8_565
O4 Ag1 2.577(3) no . 3_676
O4 O4 3.020(4) no . 3_676
O4 N1 3.556(4) no . 3_676
O4 C2 3.492(5) no . 3_676
N1 F6 3.195(7) no . 3_676
N1 O4 3.556(4) no . 3_676
N2 F1 3.329(5) no . 8_464
N2 F2 3.063(5) no . 8_464
N2 O1 3.467(4) no . 8_464
C1 F2 3.464(5) no . 3_676
C1 O2 3.420(5) no . 3_676
C2 O4 3.492(5) no . 3_676
C6 F2 3.437(5) no . 3_676
C6 F3 3.585(6) no . 4_574
C9 F3 3.309(5) no . 7_566
C10 F3 3.295(5) no . 7_566
C11 C11 3.335(6) no . 7_566
C12 F6 3.253(6) no . 3_676
C13 F6 3.230(6) no . 3_676
C15 F2 3.512(5) no . 8_464
C16 F2 3.204(5) no . 8_464
C16 O1 3.589(4) no . 8_464
C17 F1 3.426(5) no . 8_464
C17 F2 3.164(5) no . 8_464
C18 F2 3.473(4) no . 8_464
C20 F1 3.391(6) no . 7_566
C20 F4 3.466(5) no . 5_455
C20 F5 3.388(7) no . 5_455
C20 O3 3.499(6) no . 5_455
C21 F5 3.593(6) no . 5_455
C21 C21 3.538(6) no . 2_555
C22 F1 3.341(5) no . 8_464
C24 F4 3.122(6) no . 2_655
C24 F4 3.466(5) no . 8_464
C25 F4 3.554(6) no . 2_655
C25 F4 3.241(6) no . 8_464
C25 O3 3.308(5) no . 8_464
C26 O1 3.269(5) no . 8_464
C29 Ag1 3.512(4) no . 3_676
Ag1 H2 2.6779 no . .
Ag1 H12 2.7635 no . .
Ag2 H12 3.5623 no . .
Ag2 H22 2.7838 no . 6_545
Ag2 H26 2.6782 no . 6_545
F5 H1 3.5621 no . .
F5 H2 3.5385 no . .
O1 H12 3.5644 no . .
O1 H26 2.4591 no . 6_545
O2 H12 3.0114 no . .
O3 H2 3.2527 no . .
O3 H22 2.9462 no . 6_545
O4 H2 2.5502 no . .
N1 H2 2.5630 no . .
N1 H12 2.5675 no . .
N1 H22 3.3277 no . 6_545
N2 H12 3.3433 no . 6_555
N2 H22 2.5628 no . .
N2 H26 2.5647 no . .
C1 H5 3.2649 no . .
C2 H6 3.2378 no . .
C2 H22 3.0739 no . 6_545
C3 H1 3.2610 no . .
C3 H5 3.3059 no . .
C3 H22 3.2335 no . 6_545
C4 H2 3.3151 no . .
C4 H6 3.2714 no . .
C4 H19 3.4589 no . .
C4 H23 2.8958 no . .
C5 H1 3.2581 no . .
C5 H9 3.4877 no . 6_555
C5 H23 3.1958 no . .
C6 H2 3.2478 no . .
C6 H9 3.1774 no . 6_555
C6 H10 3.2924 no . 6_555
C7 H5 2.6952 no . .
C7 H9 2.6835 no . .
C7 H19 2.6362 no . .
C7 H23 2.6103 no . .
C8 H5 3.4162 no . 6_545
C8 H10 3.2726 no . .
C8 H12 3.3114 no . .
C8 H19 2.7771 no . .
C8 H23 3.3394 no . .
C9 H5 2.9151 no . 6_545
C9 H6 2.9009 no . 6_545
C9 H11 3.2431 no . .
C9 H19 2.9578 no . .
C10 H5 2.9127 no . 6_545
C10 H6 2.8705 no . 6_545
C10 H12 3.2643 no . .
C11 H5 3.3794 no . 6_545
C11 H9 3.2527 no . .
C12 H10 3.2563 no . .
C12 H26 3.4756 no . 6_545
C13 H9 3.3072 no . .
C13 H11 3.2569 no . .
C14 H5 2.6169 no . .
C14 H9 2.6550 no . .
C14 H19 2.6807 no . .
C14 H23 2.6783 no . .
C15 H5 2.7785 no . .
C15 H9 3.4618 no . .
C15 H24 3.2627 no . .
C15 H26 3.3055 no . .
C16 H12 3.3423 no . 6_555
C16 H23 3.3067 no . .
C16 H25 3.2621 no . .
C17 H19 3.3082 no . .
C17 H21 3.2648 no . .
C18 H5 3.3804 no . .
C18 H9 2.8763 no . .
C18 H20 3.2675 no . .
C18 H22 3.3049 no . .
C18 H23 3.3132 no . 6_555
C19 H9 3.0149 no . .
C19 H21 3.2477 no . .
C19 H23 2.8780 no . 6_555
C19 H24 2.9381 no . 6_555
C20 H22 3.2626 no . .
C20 H23 2.9853 no . 6_555
C20 H24 3.0223 no . 6_555
C21 H19 3.2566 no . .
C21 H23 3.4728 no . 6_555
C22 H20 3.2542 no . .
C23 H5 3.0997 no . .
C23 H19 3.5364 no . 6_545
C23 H25 3.2470 no . .
C24 H19 3.2745 no . 6_545
C24 H20 3.4292 no . 6_545
C24 H26 3.2548 no . .
C25 H23 3.2563 no . .
C26 H12 3.0828 no . 6_555
C26 H24 3.2461 no . .
C27 H12 3.4088 no . .
C27 H26 3.2244 no . 6_545
C29 H2 2.8685 no . .
H1 H2 2.2743 no . .
H1 H6 2.3415 no . .
H2 H22 3.0203 no . 6_545
H5 H6 2.2882 no . .
H5 H9 3.1495 no . 6_555
H5 H10 3.1638 no . 6_555
H5 H23 3.1333 no . .
H6 H9 2.5592 no . 6_555
H6 H10 2.5197 no . 6_555
H9 H10 2.2860 no . .
H9 H19 2.8727 no . .
H10 H11 2.3431 no . .
H11 H12 2.2825 no . .
H12 H26 2.8493 no . 6_545
H19 H20 2.2769 no . .
H19 H23 3.0937 no . 6_555
H19 H24 2.5581 no . 6_555
H20 H21 2.3473 no . .
H20 H23 3.2791 no . 6_555
H20 H24 2.7345 no . 6_555
H21 H22 2.2899 no . .
H23 H24 2.2812 no . .
H24 H25 2.3470 no . .
H25 H26 2.2756 no . .
Ag1 H2 3.4599 no . 3_676
Ag2 H26 3.2163 no . 8_565
F1 H20 3.3875 no . 7_566
F1 H22 3.1781 no . 8_565
F2 H1 3.2205 no . 3_676
F2 H6 3.1806 no . 3_676
F2 H9 3.1409 no . 8_565
F3 H1 2.9243 no . 3_676
F3 H6 2.7084 no . 4_575
F3 H9 2.7097 no . 7_566
F3 H10 2.6840 no . 7_566
F4 H20 2.6047 no . 5_545
F4 H24 2.6109 no . 2_655
F4 H24 2.9942 no . 8_565
F4 H25 3.3714 no . 2_655
F4 H25 2.5615 no . 8_565
F5 H6 3.5381 no . 2_655
F5 H10 3.1205 no . 5_555
F5 H11 3.4412 no . 5_555
F5 H20 2.7806 no . 5_545
F5 H21 3.1575 no . 5_545
F6 H10 3.3337 no . 5_555
F6 H11 2.8582 no . 5_555
F6 H12 3.2204 no . 3_676
O1 H26 2.8851 no . 8_565
O2 H1 2.9064 no . 3_676
O2 H2 3.3655 no . 3_676
O2 H10 2.9634 no . 7_566
O3 H20 2.7167 no . 5_545
O3 H25 2.6855 no . 8_565
O3 H26 3.5436 no . 8_565
O4 H2 3.0754 no . 3_676
C10 H11 3.5996 no . 7_566
C11 H11 3.0014 no . 7_566
C12 H11 3.2881 no . 7_566
C21 H21 3.0323 no . 2_555
C21 H22 3.4293 no . 2_555
C22 H21 3.2576 no . 2_555
C27 H1 3.5038 no . 3_676
C27 H10 3.5200 no . 7_566
C28 H1 3.3725 no . 3_676
C28 H10 3.5466 no . 7_566
C29 H20 3.3617 no . 5_545
C29 H25 3.1068 no . 8_565
C30 H20 3.0791 no . 5_545
C30 H25 3.2906 no . 8_565
H1 F2 3.2205 no . 3_676
H1 F3 2.9243 no . 3_676
H1 O2 2.9064 no . 3_676
H1 C27 3.5038 no . 3_676
H1 C28 3.3725 no . 3_676
H1 H1 3.2813 no . 2_655
H1 H6 3.2650 no . 2_655
H2 Ag1 3.4599 no . 3_676
H2 O2 3.3655 no . 3_676
H2 O4 3.0754 no . 3_676
H6 F2 3.1806 no . 3_676
H6 F3 2.7084 no . 4_574
H6 F5 3.5381 no . 2_655
H6 H1 3.2650 no . 2_655
H9 F2 3.1409 no . 8_464
H9 F3 2.7097 no . 7_566
H10 F3 2.6840 no . 7_566
H10 F5 3.1205 no . 5_445
H10 F6 3.3337 no . 5_445
H10 O2 2.9634 no . 7_566
H10 C27 3.5200 no . 7_566
H10 C28 3.5466 no . 7_566
H10 H12 3.4995 no . 7_566
H11 F5 3.4412 no . 5_445
H11 F6 2.8582 no . 5_445
H11 C10 3.5996 no . 7_566
H11 C11 3.0014 no . 7_566
H11 C12 3.2881 no . 7_566
H11 H11 2.9370 no . 7_566
H11 H12 3.3920 no . 7_566
H12 F6 3.2204 no . 3_676
H12 H10 3.4995 no . 7_566
H12 H11 3.3920 no . 7_566
H20 F1 3.3875 no . 7_566
H20 F4 2.6047 no . 5_455
H20 F5 2.7806 no . 5_455
H20 O3 2.7167 no . 5_455
H20 C29 3.3617 no . 5_455
H20 C30 3.0791 no . 5_455
H20 H25 3.3514 no . 4_575
H21 F5 3.1575 no . 5_455
H21 C21 3.0323 no . 2_555
H21 C22 3.2576 no . 2_555
H21 H21 2.4260 no . 2_555
H21 H22 2.8650 no . 2_555
H22 F1 3.1781 no . 8_464
H22 C21 3.4293 no . 2_555
H22 H21 2.8650 no . 2_555
H24 F4 2.6109 no . 2_655
H24 F4 2.9942 no . 8_464
H25 F4 3.3714 no . 2_655
H25 F4 2.5615 no . 8_464
H25 O3 2.6855 no . 8_464
H25 C29 3.1068 no . 8_464
H25 C30 3.2906 no . 8_464
H25 H20 3.3514 no . 4_574
H26 Ag2 3.2163 no . 8_464
H26 O1 2.8851 no . 8_464
H26 O3 3.5436 no . 8_464

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
