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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2bCH2Cl2
_database_code_depnum_ccdc_archive 'CCDC 1897914'
loop_
_audit_author_name
_audit_author_address
'Maria Elena Olmos'
;University of La Rioja
Spain
;
_audit_update_record             
;
2019-03-18 deposited with the CCDC.	2019-03-21 downloaded from the CCDC.
;

_audit_creation_date             2019-01-15T12:57:28-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C27 H11 Ag Au F10 N3, C H2 Cl2'
_chemical_formula_sum            'C28 H13 Ag Au Cl2 F10 N3'
_chemical_formula_weight         957.15

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8130(6)
_cell_length_b                   10.9768(4)
_cell_length_c                   12.9560(8)
_cell_angle_alpha                80.139(3)
_cell_angle_beta                 86.040(2)
_cell_angle_gamma                70.855(3)
_cell_volume                     1431.12(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5294
_cell_measurement_theta_min      2.615
_cell_measurement_theta_max      27.487
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       Needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.15
_exptl_crystal_density_diffrn    2.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             904

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    6.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Scalepack
_exptl_absorpt_correction_T_min  0.0512
_exptl_absorpt_correction_T_max  0.0902

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enraf Nonius FR590'
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_ub_11      -0.012536
_diffrn_orient_matrix_ub_12      0.033848
_diffrn_orient_matrix_ub_13      -0.076576
_diffrn_orient_matrix_ub_21      -0.097098
_diffrn_orient_matrix_ub_22      0.027718
_diffrn_orient_matrix_ub_23      0.011039
_diffrn_orient_matrix_ub_31      0.000462
_diffrn_orient_matrix_ub_32      0.087309
_diffrn_orient_matrix_ub_33      0.012364
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_number            11028
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.615
_diffrn_reflns_theta_max         27.487
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.99
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.99
_diffrn_reflns_point_group_measured_fraction_max 0.976
_reflns_Friedel_coverage         0
_reflns_number_total             6407
_reflns_number_gt                5590
_reflns_threshold_expression     'I > 2σ(I)'
_diffrn_reflns_reduction_process 
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0637P)²+1.1115P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         6407
_refine_ls_number_parameters     424
_refine_ls_number_restraints     106
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.095
_refine_ls_wR_factor_gt          0.0903
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.75
_refine_diff_density_min         -2.037
_refine_diff_density_rms         0.18

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Au1 Au 0.5 0.5 0 0.02386(8) Uani 1 2 d S . P . .
Au2 Au 0.5 1 0 0.02732(9) Uani 1 2 d S . P . .
Ag1 Ag 0.54617(4) 0.73762(3) -0.00743(3) 0.02337(9) Uani 1 1 d . . . . .
N1 N 0.7785(4) 0.6890(3) -0.0081(3) 0.0262(8) Uani 1 1 d . U . . .
N2 N 0.6373(4) 0.7148(3) -0.1795(3) 0.0261(8) Uani 1 1 d . U . . .
N3 N 0.3787(4) 0.8067(4) -0.1401(3) 0.0285(8) Uani 1 1 d . U . . .
C1 C 0.8444(5) 0.6953(5) 0.0736(4) 0.0312(10) Uani 1 1 d . U . . .
H1 H 0.7991 0.711 0.1362 0.037 Uiso 1 1 calc R U . . .
C2 C 0.9755(5) 0.6797(5) 0.0691(4) 0.0337(11) Uani 1 1 d . U . . .
H2 H 1.0179 0.684 0.1278 0.04 Uiso 1 1 calc R U . . .
C3 C 1.0441(5) 0.6576(5) -0.0236(4) 0.0375(12) Uani 1 1 d . U . . .
H3 H 1.1333 0.6466 -0.0285 0.045 Uiso 1 1 calc R U . . .
C4 C 0.9777(5) 0.6523(5) -0.1080(4) 0.0329(11) Uani 1 1 d . U . . .
H4 H 1.0215 0.6385 -0.1715 0.039 Uiso 1 1 calc R U . . .
C5 C 0.8447(5) 0.6675(4) -0.0989(4) 0.0267(9) Uani 1 1 d . U . . .
C6 C 0.7674(5) 0.6645(4) -0.1899(4) 0.0279(10) Uani 1 1 d . U . . .
C7 C 0.8252(6) 0.6144(5) -0.2791(4) 0.0391(12) Uani 1 1 d . U . . .
H7 H 0.9157 0.5783 -0.2848 0.047 Uiso 1 1 calc R U . . .
C8 C 0.7449(6) 0.6198(6) -0.3590(4) 0.0446(13) Uani 1 1 d . U . . .
H8 H 0.7815 0.5853 -0.419 0.054 Uiso 1 1 calc R U . . .
C9 C 0.6116(6) 0.6754(5) -0.3510(4) 0.0382(12) Uani 1 1 d . U . . .
H9 H 0.5574 0.6824 -0.406 0.046 Uiso 1 1 calc R U . . .
C10 C 0.5594(5) 0.7212(4) -0.2574(4) 0.0285(10) Uani 1 1 d . U . . .
C11 C 0.4154(5) 0.7815(4) -0.2380(4) 0.0302(10) Uani 1 1 d . U . . .
C12 C 0.3241(6) 0.8087(5) -0.3154(4) 0.0389(12) Uani 1 1 d . U . . .
H12 H 0.3509 0.789 -0.3821 0.047 Uiso 1 1 calc R U . . .
C13 C 0.1937(6) 0.8650(5) -0.2935(5) 0.0450(13) Uani 1 1 d . U . . .
H13 H 0.1316 0.8829 -0.345 0.054 Uiso 1 1 calc R U . . .
C14 C 0.1555(6) 0.8946(5) -0.1944(5) 0.0412(12) Uani 1 1 d . U . . .
H14 H 0.0679 0.9342 -0.1778 0.049 Uiso 1 1 calc R U . . .
C15 C 0.2525(5) 0.8631(5) -0.1208(4) 0.0348(11) Uani 1 1 d . U . . .
H15 H 0.2277 0.8827 -0.0538 0.042 Uiso 1 1 calc R U . . .
C16 C 0.4876(5) 0.5727(4) 0.1384(3) 0.0227(9) Uani 1 1 d . U . . .
C17 C 0.3671(5) 0.6402(4) 0.1794(4) 0.0252(9) Uani 1 1 d . U . . .
C18 C 0.3473(5) 0.6658(5) 0.2804(4) 0.0331(10) Uani 1 1 d . U . . .
C19 C 0.4527(6) 0.6264(5) 0.3458(4) 0.0370(11) Uani 1 1 d . U . . .
C20 C 0.5754(5) 0.5611(5) 0.3093(4) 0.0334(11) Uani 1 1 d . U . . .
C21 C 0.5905(5) 0.5363(4) 0.2075(4) 0.0281(10) Uani 1 1 d . U . . .
F1 F 0.2597(3) 0.6810(3) 0.1192(2) 0.0421(7) Uani 1 1 d . U . . .
F2 F 0.2282(3) 0.7281(3) 0.3163(3) 0.0509(9) Uani 1 1 d . U . . .
F3 F 0.4367(4) 0.6515(4) 0.4449(2) 0.0573(10) Uani 1 1 d . U . . .
F4 F 0.6782(4) 0.5218(4) 0.3744(3) 0.0595(10) Uani 1 1 d . U . . .
F5 F 0.7123(3) 0.4688(3) 0.1775(2) 0.0402(7) Uani 1 1 d . U . . .
C22 C 0.5641(5) 1.0354(4) -0.1509(4) 0.0270(9) Uani 1 1 d . U . . .
C23 C 0.6976(5) 1.0047(4) -0.1765(4) 0.0280(10) Uani 1 1 d . U . . .
C24 C 0.7457(5) 1.0013(5) -0.2776(4) 0.0349(11) Uani 1 1 d . U . . .
C25 C 0.6612(5) 1.0320(5) -0.3586(4) 0.0349(11) Uani 1 1 d . U . . .
C26 C 0.5277(5) 1.0668(5) -0.3383(4) 0.0351(11) Uani 1 1 d . U . . .
C27 C 0.4836(5) 1.0680(4) -0.2369(4) 0.0289(10) Uani 1 1 d . U . . .
F6 F 0.7867(3) 0.9757(3) -0.1000(2) 0.0411(7) Uani 1 1 d . U . . .
F7 F 0.8752(3) 0.9705(3) -0.2981(3) 0.0511(9) Uani 1 1 d . U . . .
F8 F 0.7064(4) 1.0300(4) -0.4576(2) 0.0547(9) Uani 1 1 d . U . . .
F9 F 0.4430(3) 1.0995(3) -0.4181(3) 0.0513(9) Uani 1 1 d . U . . .
F10 F 0.3516(3) 1.1009(3) -0.2213(3) 0.0414(7) Uani 1 1 d . U . . .
C28A C 0.052(4) 0.215(3) 0.567(3) 0.072(6) Uani 0.5 1 d D . P A 1
H28A H 0.0182 0.1569 0.616 0.086 Uiso 0.5 1 calc R U P A 1
H28B H 0.1305 0.1629 0.5339 0.086 Uiso 0.5 1 calc R U P A 1
Cl1A Cl 0.0948(11) 0.3213(12) 0.6351(10) 0.090(4) Uani 0.5 1 d D . P A 1
Cl2A Cl -0.0655(6) 0.3013(7) 0.4699(5) 0.0893(16) Uani 0.5 1 d D . P A 1
C28B C 0.088(4) 0.199(3) 0.600(3) 0.072(6) Uani 0.5 1 d D . P B 2
H28C H 0.05 0.1558 0.6598 0.086 Uiso 0.5 1 calc R U P B 2
H28D H 0.1763 0.1424 0.5887 0.086 Uiso 0.5 1 calc R U P B 2
Cl1B Cl 0.0916(12) 0.3471(10) 0.6259(8) 0.065(2) Uani 0.5 1 d D . P B 2
Cl2B Cl -0.0081(6) 0.2282(7) 0.4867(5) 0.0893(16) Uani 0.5 1 d D . P B 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
Au1 C16 2.063(4) . ?
Au1 C16 2.063(4) 2_665 ?
Au1 Ag1 2.7969(3) . ?
Au1 Ag1 2.7970(3) 2_665 ?
Au2 C22 2.045(5) . ?
Au2 C22 2.045(5) 2_675 ?
Au2 Ag1 2.7747(3) 2_675 ?
Au2 Ag1 2.7747(3) . ?
Ag1 N1 2.390(4) . ?
Ag1 N2 2.393(4) . ?
Ag1 N3 2.427(4) . ?
Ag1 C16 2.582(4) . ?
N1 C1 1.340(6) . ?
N1 C5 1.348(6) . ?
N2 C10 1.338(6) . ?
N2 C6 1.338(6) . ?
N3 C15 1.327(7) . ?
N3 C11 1.350(6) . ?
C1 C2 1.370(7) . ?
C2 C3 1.382(8) . ?
C3 C4 1.369(7) . ?
C4 C5 1.391(7) . ?
C5 C6 1.502(7) . ?
C6 C7 1.386(7) . ?
C7 C8 1.378(8) . ?
C8 C9 1.374(8) . ?
C9 C10 1.404(7) . ?
C10 C11 1.501(7) . ?
C11 C12 1.382(7) . ?
C12 C13 1.372(9) . ?
C13 C14 1.381(8) . ?
C14 C15 1.386(7) . ?
C16 C21 1.387(6) . ?
C16 C17 1.391(6) . ?
C17 F1 1.350(5) . ?
C17 C18 1.373(7) . ?
C18 F2 1.339(6) . ?
C18 C19 1.374(8) . ?
C19 F3 1.347(6) . ?
C19 C20 1.380(8) . ?
C20 F4 1.351(6) . ?
C20 C21 1.380(7) . ?
C21 F5 1.350(6) . ?
C22 C27 1.385(7) . ?
C22 C23 1.400(7) . ?
C23 F6 1.354(6) . ?
C23 C24 1.378(7) . ?
C24 F7 1.347(6) . ?
C24 C25 1.363(7) . ?
C25 F8 1.343(6) . ?
C25 C26 1.385(8) . ?
C26 F9 1.351(6) . ?
C26 C27 1.368(7) . ?
C27 F10 1.362(6) . ?
C28A Cl1A 1.76(3) . ?
C28A Cl2A 1.77(2) . ?
C28B Cl1B 1.73(3) . ?
C28B Cl2B 1.78(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
C16 Au1 C16 180 . 2_665 ?
C16 Au1 Ag1 62.02(11) . . ?
C16 Au1 Ag1 117.98(11) 2_665 . ?
C16 Au1 Ag1 117.98(11) . 2_665 ?
C16 Au1 Ag1 62.02(11) 2_665 2_665 ?
Ag1 Au1 Ag1 180 . 2_665 ?
C22 Au2 C22 180 . 2_675 ?
C22 Au2 Ag1 87.07(12) . 2_675 ?
C22 Au2 Ag1 92.93(12) 2_675 2_675 ?
C22 Au2 Ag1 92.93(12) . . ?
C22 Au2 Ag1 87.07(12) 2_675 . ?
Ag1 Au2 Ag1 180 2_675 . ?
N1 Ag1 N2 68.80(13) . . ?
N1 Ag1 N3 135.48(14) . . ?
N2 Ag1 N3 67.79(14) . . ?
N1 Ag1 C16 107.58(14) . . ?
N2 Ag1 C16 131.32(12) . . ?
N3 Ag1 C16 108.03(14) . . ?
N1 Ag1 Au2 92.85(9) . . ?
N2 Ag1 Au2 102.83(8) . . ?
N3 Ag1 Au2 87.44(9) . . ?
C16 Ag1 Au2 125.76(9) . . ?
N1 Ag1 Au1 106.60(9) . . ?
N2 Ag1 Au1 88.13(8) . . ?
N3 Ag1 Au1 81.43(9) . . ?
C16 Ag1 Au1 44.89(9) . . ?
Au2 Ag1 Au1 160.167(16) . . ?
C1 N1 C5 118.1(4) . . ?
C1 N1 Ag1 123.4(3) . . ?
C5 N1 Ag1 118.1(3) . . ?
C10 N2 C6 120.2(4) . . ?
C10 N2 Ag1 119.4(3) . . ?
C6 N2 Ag1 118.4(3) . . ?
C15 N3 C11 118.2(4) . . ?
C15 N3 Ag1 123.6(3) . . ?
C11 N3 Ag1 118.1(3) . . ?
N1 C1 C2 123.0(5) . . ?
C1 C2 C3 119.3(5) . . ?
C4 C3 C2 118.4(5) . . ?
C3 C4 C5 120.0(5) . . ?
N1 C5 C4 121.3(4) . . ?
N1 C5 C6 116.9(4) . . ?
C4 C5 C6 121.8(4) . . ?
N2 C6 C7 121.7(5) . . ?
N2 C6 C5 115.2(4) . . ?
C7 C6 C5 123.0(5) . . ?
C8 C7 C6 118.1(5) . . ?
C9 C8 C7 120.8(5) . . ?
C8 C9 C10 118.0(5) . . ?
N2 C10 C9 121.1(5) . . ?
N2 C10 C11 115.6(4) . . ?
C9 C10 C11 123.3(5) . . ?
N3 C11 C12 121.3(5) . . ?
N3 C11 C10 116.5(4) . . ?
C12 C11 C10 122.2(5) . . ?
C13 C12 C11 119.7(5) . . ?
C12 C13 C14 119.5(5) . . ?
C13 C14 C15 117.4(5) . . ?
N3 C15 C14 123.9(5) . . ?
C21 C16 C17 114.2(4) . . ?
C21 C16 Au1 123.4(3) . . ?
C17 C16 Au1 121.0(3) . . ?
C21 C16 Ag1 103.4(3) . . ?
C17 C16 Ag1 106.0(3) . . ?
Au1 C16 Ag1 73.10(13) . . ?
F1 C17 C18 116.1(4) . . ?
F1 C17 C16 119.5(4) . . ?
C18 C17 C16 124.3(4) . . ?
F2 C18 C17 121.6(5) . . ?
F2 C18 C19 119.5(5) . . ?
C17 C18 C19 118.9(5) . . ?
F3 C19 C18 120.3(5) . . ?
F3 C19 C20 120.1(5) . . ?
C18 C19 C20 119.6(5) . . ?
F4 C20 C19 119.1(5) . . ?
F4 C20 C21 121.4(5) . . ?
C19 C20 C21 119.5(5) . . ?
F5 C21 C20 116.6(4) . . ?
F5 C21 C16 120.0(4) . . ?
C20 C21 C16 123.4(4) . . ?
C27 C22 C23 114.0(4) . . ?
C27 C22 Au2 123.3(4) . . ?
C23 C22 Au2 121.7(3) . . ?
F6 C23 C24 116.6(4) . . ?
F6 C23 C22 120.1(4) . . ?
C24 C23 C22 123.3(5) . . ?
F7 C24 C25 119.3(5) . . ?
F7 C24 C23 121.0(5) . . ?
C25 C24 C23 119.7(5) . . ?
F8 C25 C24 120.5(5) . . ?
F8 C25 C26 119.9(5) . . ?
C24 C25 C26 119.6(5) . . ?
F9 C26 C27 120.9(5) . . ?
F9 C26 C25 120.1(5) . . ?
C27 C26 C25 119.0(5) . . ?
F10 C27 C26 116.6(4) . . ?
F10 C27 C22 119.0(4) . . ?
C26 C27 C22 124.3(5) . . ?
Cl1A C28A Cl2A 112.1(17) . . ?
Cl1B C28B Cl2B 108.3(16) . . ?



# 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_2bTHF
_database_code_depnum_ccdc_archive 'CCDC 1897915'
loop_
_audit_author_name
_audit_author_address
'Maria Elena Olmos'
;University of La Rioja
Spain
;
_audit_update_record             
;
2019-03-18 deposited with the CCDC.	2019-03-21 downloaded from the CCDC.
;

_audit_creation_date             2019-01-25T11:20:54-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C27 H11 Ag Au F10 N3, C4 H8 O'
_chemical_formula_sum            'C31 H19 Ag Au F10 N3 O'
_chemical_formula_weight         944.33

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8374(12)
_cell_length_b                   10.9982(10)
_cell_length_c                   14.0950(15)
_cell_angle_alpha                67.052(3)
_cell_angle_beta                 82.846(4)
_cell_angle_gamma                71.245(3)
_cell_volume                     1464.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    3651
_cell_measurement_theta_min      3.061
_cell_measurement_theta_max      25.682
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.358
_exptl_crystal_size_mid          0.039
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    2.141
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             900

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    5.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_T_max  0.841
_shelx_estimated_absorpt_T_min   0.232
_shelx_estimated_absorpt_T_max   0.846

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.049
_diffrn_reflns_number            23929
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.061
_diffrn_reflns_theta_max         27.988
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.758
_diffrn_measured_fraction_theta_max 0.782
_diffrn_reflns_Laue_measured_fraction_full 0.758
_diffrn_reflns_Laue_measured_fraction_max 0.782
_diffrn_reflns_point_group_measured_fraction_full 0.758
_diffrn_reflns_point_group_measured_fraction_max 0.782
_reflns_Friedel_coverage         0
_reflns_number_total             5527
_reflns_number_gt                4443
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5527
_refine_ls_number_parameters     666
_refine_ls_number_restraints     306
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.0273
_refine_ls_wR_factor_ref         0.0543
_refine_ls_wR_factor_gt          0.0504
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.7
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.106

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Au1 Au 0.5 0.5 0 0.01884(6) Uani 1 2 d S U P B .
Au2 Au 0.5 0 0 0.02190(6) Uani 1 2 d S U P A .
Ag1 Ag 0.44916(3) 0.26518(3) -0.00006(2) 0.02336(7) Uani 1 1 d . U . . .
F1A F 0.7847(5) -0.0921(6) 0.0958(4) 0.0361(12) Uani 0.5 1 d . U P A 1
F2A F 0.8697(5) -0.2318(8) 0.2876(4) 0.0493(16) Uani 0.5 1 d . U P A 1
F3A F 0.7008(6) -0.2879(8) 0.4482(4) 0.0554(18) Uani 0.5 1 d . U P A 1
F4A F 0.4419(6) -0.1931(7) 0.4111(4) 0.0433(14) Uani 0.5 1 d . U P A 1
F5A F 0.3517(5) -0.0546(6) 0.2164(4) 0.0340(12) Uani 0.5 1 d . U P A 1
C6A C 0.4773(4) -0.0995(9) 0.2311(5) 0.024(2) Uani 0.5 1 d G U P A 1
C5A C 0.5236(5) -0.1725(10) 0.3315(4) 0.031(2) Uani 0.5 1 d G U P A 1
C4A C 0.6566(6) -0.2167(8) 0.3508(3) 0.035(2) Uani 0.5 1 d G U P A 1
C3A C 0.7433(4) -0.1878(7) 0.2697(4) 0.0312(19) Uani 0.5 1 d G U P A 1
C2A C 0.6970(5) -0.1148(7) 0.1692(3) 0.0279(18) Uani 0.5 1 d G U P A 1
C1A C 0.5640(5) -0.0707(6) 0.1499(3) 0.0229(16) Uani 0.5 1 d G U P A 1
F6A F 0.7296(5) 0.3570(6) -0.1279(4) 0.0380(12) Uani 0.5 1 d . U P B 2
F7A F 0.7427(9) 0.3757(9) -0.3216(5) 0.046(2) Uani 0.5 1 d . U P B 2
F8A F 0.5244(7) 0.4911(7) -0.4402(4) 0.0568(18) Uani 0.5 1 d . U P B 2
F9A F 0.2920(8) 0.5993(9) -0.3589(5) 0.052(2) Uani 0.5 1 d . U P B 2
F10A F 0.2776(5) 0.5895(5) -0.1663(4) 0.0351(12) Uani 0.5 1 d . U P B 2
N2A N 0.3533(4) 0.2352(5) 0.1741(3) 0.0192(13) Uani 0.5 1 d G U P B 2
C22A C 0.2184(4) 0.2876(6) 0.1775(3) 0.0222(16) Uani 0.5 1 d G U P B 2
C21A C 0.1588(4) 0.3135(7) 0.2637(4) 0.0287(18) Uani 0.5 1 d G U P B 2
H21A H 0.0667 0.3494 0.266 0.034 Uiso 0.5 1 calc R U P B 2
C20A C 0.2340(6) 0.2870(9) 0.3466(4) 0.033(3) Uani 0.5 1 d G U P B 2
H20A H 0.1933 0.3047 0.4056 0.039 Uiso 0.5 1 calc R U P B 2
C19A C 0.3689(6) 0.2345(8) 0.3432(4) 0.028(2) Uani 0.5 1 d G U P B 2
H19A H 0.4203 0.2164 0.3999 0.033 Uiso 0.5 1 calc R U P B 2
C18A C 0.4285(4) 0.2087(6) 0.2570(4) 0.0239(16) Uani 0.5 1 d G U P B 2
C7A C 0.5025(8) 0.4721(6) -0.1361(5) 0.0217(15) Uani 0.5 1 d . U P B 2
C8A C 0.6180(8) 0.4180(6) -0.1819(6) 0.0217(16) Uani 0.5 1 d . U P B 2
C9A C 0.6240(11) 0.4253(8) -0.2812(8) 0.030(2) Uani 0.5 1 d . U P B 2
C10A C 0.5176(10) 0.4849(7) -0.3407(6) 0.0349(19) Uani 0.5 1 d . U P B 2
C11A C 0.3985(12) 0.5413(8) -0.3030(8) 0.030(2) Uani 0.5 1 d . U P B 2
C12A C 0.3946(8) 0.5328(6) -0.2001(6) 0.0224(16) Uani 0.5 1 d . U P B 2
C17A C 0.5675(5) 0.1546(6) 0.2431(4) 0.0230(16) Uani 0.5 1 d G U P B 2
C16A C 0.6569(7) 0.1018(9) 0.3226(3) 0.034(3) Uani 0.5 1 d G U P B 2
H16A H 0.6277 0.099 0.3896 0.04 Uiso 0.5 1 calc R U P B 2
C15A C 0.7892(6) 0.0531(9) 0.3039(4) 0.038(3) Uani 0.5 1 d G U P B 2
H15A H 0.8503 0.017 0.3582 0.046 Uiso 0.5 1 calc R U P B 2
C14A C 0.8320(4) 0.0572(7) 0.2059(5) 0.038(2) Uani 0.5 1 d G U P B 2
H14A H 0.9223 0.0239 0.1932 0.046 Uiso 0.5 1 calc R U P B 2
C13A C 0.7425(5) 0.1100(7) 0.1265(4) 0.0310(18) Uani 0.5 1 d G U P B 2
H13A H 0.7717 0.1128 0.0595 0.037 Uiso 0.5 1 calc R U P B 2
N1A N 0.6102(4) 0.1587(5) 0.1451(4) 0.0234(13) Uani 0.5 1 d G U P B 2
C27A C 0.1567(9) 0.3260(11) -0.0808(7) 0.026(2) Uani 0.5 1 d . U P B 2
H27A H 0.2059 0.3277 -0.1418 0.031 Uiso 0.5 1 calc R U P B 2
C26A C 0.0242(9) 0.3399(12) -0.0827(8) 0.035(3) Uani 0.5 1 d . U P B 2
H26A H -0.0136 0.348 -0.143 0.042 Uiso 0.5 1 calc R U P B 2
C24A C 0.0160(9) 0.3203(10) 0.0912(7) 0.0276(19) Uani 0.5 1 d . U P B 2
H24A H -0.0321 0.3167 0.1529 0.033 Uiso 0.5 1 calc R U P B 2
C23A C 0.1480(9) 0.3055(9) 0.0870(7) 0.0257(15) Uani 0.5 1 d . U P B 2
N3 N 0.2177(2) 0.3108(3) -0.0001(2) 0.0204(7) Uani 1 1 d G U . . .
C27B C 0.1453(3) 0.3959(5) -0.0894(2) 0.0225(17) Uani 0.5 1 d G U P B -2
C26B C 0.0130(3) 0.4114(5) -0.0905(2) 0.027(2) Uani 0.5 1 d G U P B -2
H26B H -0.0365 0.4695 -0.1516 0.033 Uiso 0.5 1 calc R U P B -2
C25 C -0.0470(2) 0.3417(4) -0.0023(3) 0.0339(10) Uani 1 1 d G U . B .
H25A H -0.1382 0.3567 -0.0039 0.041 Uiso 1 1 calc R U . C 2
C24B C 0.0254(3) 0.2566(5) 0.0871(3) 0.032(2) Uani 0.5 1 d G U P B -2
H24B H -0.0156 0.2091 0.1474 0.039 Uiso 0.5 1 calc R U P B -2
C23B C 0.1577(3) 0.2412(5) 0.0882(2) 0.0257(15) Uani 0.5 1 d G U P B -2
H23B H 0.2072 0.183 0.1493 0.031 Uiso 0.5 1 calc R U P B -2
F6B F 0.7304(5) 0.2282(6) 0.1281(4) 0.0378(12) Uani 0.5 1 d . U P B -2
F7B F 0.7428(9) 0.0528(9) 0.3214(5) 0.048(2) Uani 0.5 1 d . U P B -2
F8B F 0.5242(7) 0.0518(7) 0.4394(4) 0.0583(19) Uani 0.5 1 d . U P B -2
F9B F 0.2916(8) 0.2415(10) 0.3581(6) 0.054(3) Uani 0.5 1 d . U P B -2
F10B F 0.2787(5) 0.4223(6) 0.1656(4) 0.0352(12) Uani 0.5 1 d . U P B -2
N1B N 0.6099(4) 0.3033(6) -0.1447(4) 0.0244(14) Uani 0.5 1 d G U P B -2
C13B C 0.7422(5) 0.2358(6) -0.1263(4) 0.0322(19) Uani 0.5 1 d G U P B -2
H13B H 0.7717 0.171 -0.0594 0.039 Uiso 0.5 1 calc R U P B -2
C14B C 0.8314(4) 0.2630(8) -0.2057(5) 0.039(2) Uani 0.5 1 d G U P B -2
H14B H 0.9218 0.2169 -0.1931 0.046 Uiso 0.5 1 calc R U P B -2
C15B C 0.7883(7) 0.3578(9) -0.3035(4) 0.043(4) Uani 0.5 1 d G U P B -2
H15B H 0.8492 0.3765 -0.3578 0.052 Uiso 0.5 1 calc R U P B -2
C16B C 0.6560(8) 0.4253(7) -0.3219(4) 0.031(2) Uani 0.5 1 d G U P B -2
H16B H 0.6265 0.4901 -0.3887 0.037 Uiso 0.5 1 calc R U P B -2
C17B C 0.5668(5) 0.3980(6) -0.2425(5) 0.0226(16) Uani 0.5 1 d G U P B -2
C7B C 0.5015(8) 0.3361(8) 0.1363(6) 0.0217(15) Uani 0.5 1 d . U P B -2
C12B C 0.3941(8) 0.3327(8) 0.1998(6) 0.0242(16) Uani 0.5 1 d . U P B -2
C11B C 0.3990(11) 0.2378(11) 0.3029(9) 0.031(2) Uani 0.5 1 d . U P B -2
C10B C 0.5171(10) 0.1432(8) 0.3422(6) 0.0310(18) Uani 0.5 1 d . U P B -2
C9B C 0.6283(11) 0.1405(10) 0.2829(8) 0.028(2) Uani 0.5 1 d . U P B -2
C8B C 0.6166(8) 0.2378(8) 0.1810(6) 0.0241(16) Uani 0.5 1 d . U P B -2
C22B C 0.2179(4) 0.4659(5) -0.1777(3) 0.0222(16) Uani 0.5 1 d G U P B -2
N2B N 0.3527(4) 0.4091(5) -0.1740(3) 0.0214(13) Uani 0.5 1 d G U P B -2
C18B C 0.4283(4) 0.4648(7) -0.2567(4) 0.0229(17) Uani 0.5 1 d G U P B -2
C19B C 0.3691(6) 0.5774(7) -0.3429(4) 0.028(2) Uani 0.5 1 d G U P B -2
H19B H 0.4208 0.6155 -0.3994 0.034 Uiso 0.5 1 calc R U P B -2
C20B C 0.2344(7) 0.6342(6) -0.3466(4) 0.032(3) Uani 0.5 1 d G U P B -2
H20B H 0.194 0.7111 -0.4055 0.039 Uiso 0.5 1 calc R U P B -2
C21B C 0.1588(4) 0.5785(6) -0.2639(4) 0.0260(17) Uani 0.5 1 d G U P B -2
H21B H 0.0667 0.6173 -0.2664 0.031 Uiso 0.5 1 calc R U P B -2
F1B F 0.6495(5) -0.1631(6) 0.2171(4) 0.0358(12) Uani 0.5 1 d . U P A -1
F2B F 0.5572(6) -0.2184(7) 0.4107(4) 0.0431(14) Uani 0.5 1 d . U P A -1
F3B F 0.2999(6) -0.1613(8) 0.4468(4) 0.0546(17) Uani 0.5 1 d . U P A -1
F4B F 0.1314(5) -0.0572(7) 0.2881(4) 0.0468(15) Uani 0.5 1 d . U P A -1
F5B F 0.2163(5) -0.0051(6) 0.0960(4) 0.0374(12) Uani 0.5 1 d . U P A -1
C1B C 0.4353(5) -0.0791(6) 0.1498(3) 0.0241(16) Uani 0.5 1 d G U P A -1
C6B C 0.3023(5) -0.0540(7) 0.1692(3) 0.0246(17) Uani 0.5 1 d G U P A -1
C5B C 0.2564(4) -0.0815(7) 0.2696(4) 0.036(2) Uani 0.5 1 d G U P A -1
C4B C 0.3434(6) -0.1342(8) 0.3507(3) 0.0327(19) Uani 0.5 1 d G U P A -1
C3B C 0.4764(5) -0.1593(9) 0.3313(4) 0.033(2) Uani 0.5 1 d G U P A -1
C2B C 0.5223(4) -0.1318(9) 0.2309(5) 0.022(2) Uani 0.5 1 d G U P A -1
O1 O 0.0731(16) -0.0397(19) 0.3529(12) 0.139(5) Uiso 0.5 1 d . . P . .
C31 C 0.0955(12) 0.0537(14) 0.3999(9) 0.057(3) Uiso 0.5 1 d . . P . .
H31A H 0.1878 0.0205 0.4214 0.068 Uiso 0.5 1 calc R U P . .
H31B H 0.079 0.1484 0.3471 0.068 Uiso 0.5 1 calc R U P . .
C32 C 0.0186(5) 0.0584(6) 0.4818(4) 0.0460(12) Uiso 1 1 d . . . . .
H32A H -0.0586 0.1415 0.4611 0.055 Uiso 1 1 calc R U . . .
H32B H 0.0669 0.0619 0.5353 0.055 Uiso 1 1 calc R U . . .
C33 C 0.0414(13) -0.1513(14) 0.4560(9) 0.058(3) Uiso 0.5 1 d . . P . .
H33A H -0.0217 -0.1926 0.4447 0.069 Uiso 0.5 1 calc R U P . .
H33B H 0.1211 -0.2256 0.4891 0.069 Uiso 0.5 1 calc R U P . .
O2 O 0.0752(15) 0.3147(18) 0.6451(11) 0.128(5) Uiso 0.5 1 d . . P . .
C35 C 0.0405(12) 0.3079(13) 0.5433(8) 0.051(3) Uiso 0.5 1 d . . P . .
H35A H 0.1191 0.2666 0.5094 0.062 Uiso 0.5 1 calc R U P . .
H35B H -0.023 0.2558 0.5554 0.062 Uiso 0.5 1 calc R U P . .
C36 C -0.0176(6) 0.4577(6) 0.4830(4) 0.0480(12) Uiso 1 1 d . . . . .
H36A H 0.0089 0.4772 0.4101 0.058 Uiso 1 1 calc R U . . .
H36B H -0.1138 0.4797 0.4859 0.058 Uiso 1 1 calc R U . . .
C37 C 0.0973(12) 0.4540(13) 0.5985(9) 0.057(3) Uiso 0.5 1 d . . P . .
H37A H 0.0828 0.4949 0.6518 0.068 Uiso 0.5 1 calc R U P . .
H37B H 0.1891 0.4424 0.5757 0.068 Uiso 0.5 1 calc R U P . .



#----------------------------------------------------------------------------#
#                   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
Au1 C7A 2.053(7) 2_665 ?
Au1 C7A 2.053(7) . ?
Au1 C7B 2.057(8) . ?
Au1 Ag1 2.8089(4) 2_665 ?
Au1 Ag1 2.8090(4) . ?
Au2 C1A 2.071(4) . ?
Au2 C1A 2.071(4) 2_655 ?
Au2 C1B 2.073(4) . ?
Au2 Ag1 2.7882(4) . ?
Au2 Ag1 2.7883(4) 2_655 ?
Ag1 N3 2.395(2) . ?
Ag1 N2B 2.482(4) . ?
Ag1 N2A 2.484(4) . ?
Ag1 N1B 2.507(4) . ?
Ag1 N1A 2.512(4) . ?
Ag1 C7B 2.520(5) . ?
Ag1 C7A 2.521(6) . ?
F1A C2A 1.320(6) . ?
F2A O2 1.097(16) 2_656 ?
F2A C3A 1.319(7) . ?
F3A C4A 1.346(7) . ?
F3A F2B 1.552(8) . ?
F4A C3B 1.095(7) . ?
F4A F2B 1.189(8) . ?
F4A C4B 1.279(8) . ?
F4A C5A 1.333(6) . ?
F4A F3B 1.531(8) . ?
F5A C6B 0.902(6) . ?
F5A C5B 1.245(6) . ?
F5A C1B 1.266(6) . ?
F5A C6A 1.303(7) . ?
F5A C4B 1.754(6) . ?
F5A C2B 1.769(7) . ?
C6A C2B 0.503(8) . ?
C6A C1B 1.198(9) . ?
C6A C3B 1.306(9) . ?
C6A C5A 1.39 . ?
C6A C1A 1.39 . ?
C6A F1B 1.785(7) . ?
C6A C6B 2.017(6) . ?
C5A F2B 1.084(7) . ?
C5A C2B 1.311(9) . ?
C5A C4A 1.39 . ?
C5A C4B 1.869(7) . ?
C4A F2B 1.283(8) . ?
C4A C3A 1.39 . ?
C4A F1B 1.745(6) . ?
C4A C3B 1.870(7) . ?
C3A F1B 1.228(7) . ?
C3A C2A 1.39 . ?
C2A F1B 0.901(6) . ?
C2A C1A 1.39 . ?
C2A C2B 2.016(6) . ?
C1A C2B 1.194(9) . ?
C1A F1B 1.285(7) . ?
C1A C1B 1.428(7) . ?
F6A C13B 1.287(8) . ?
F6A C8A 1.343(9) . ?
F6A N1B 1.663(6) . ?
F6A C14B 1.826(8) . ?
F7A C15B 0.527(11) . ?
F7A C16B 0.922(11) . ?
F7A C9A 1.373(12) . ?
F7A C14B 1.782(11) . ?
F8A C10A 1.371(9) . ?
F8A F8A 1.749(10) 2_664 ?
F9A C20B 0.662(10) . ?
F9A C19B 0.826(8) . ?
F9A C11A 1.312(12) . ?
F9A C21B 1.849(9) . ?
F10A C12A 1.340(10) . ?
F10A C22B 1.746(6) . ?
N2A C22A 1.39 . ?
N2A C18A 1.39 . ?
N2A C12B 1.458(7) . ?
N2A C11B 1.952(9) . ?
C22A C21A 1.39 . ?
C22A C23A 1.483(10) . ?
C22A F10B 1.746(7) . ?
C22A C23B 1.790(6) . ?
C21A C20A 1.39 . ?
C21A F9B 1.840(9) . ?
C20A F9B 0.653(11) . ?
C20A C19A 1.39 . ?
C20A C11B 1.798(12) . ?
C19A C11B 0.614(9) . ?
C19A F9B 0.824(8) . ?
C19A C18A 1.39 . ?
C19A C10B 1.599(12) . ?
C19A C12B 1.918(10) . ?
C18A C11B 0.817(8) . ?
C18A C12B 1.242(10) . ?
C18A C10B 1.432(9) . ?
C18A C17A 1.450(6) . ?
C18A C7B 2.000(9) . ?
C7A C12A 1.385(11) . ?
C7A C8A 1.400(11) . ?
C7A N1B 1.889(9) . ?
C7A C17B 1.930(9) . ?
C7A C18B 2.008(9) . ?
C8A N1B 1.191(8) . ?
C8A C17B 1.194(9) . ?
C8A C9A 1.364(13) . ?
C8A C13B 1.936(9) . ?
C8A C16B 1.940(9) . ?
C9A C16B 0.632(9) . ?
C9A C17B 0.824(8) . ?
C9A C10A 1.337(15) . ?
C9A C15B 1.736(11) . ?
C9A N1B 1.890(9) . ?
C9A C18B 2.037(12) . ?
C10A C11A 1.381(16) . ?
C10A C17B 1.393(10) . ?
C10A C18B 1.428(10) . ?
C10A C16B 1.442(13) . ?
C10A C19B 1.600(13) . ?
C11A C19B 0.604(9) . ?
C11A C18B 0.829(8) . ?
C11A C12A 1.413(14) . ?
C11A C20B 1.788(12) . ?
C11A N2B 1.960(9) . ?
C11A C17B 2.007(12) . ?
C12A C18B 1.243(9) . ?
C12A N2B 1.469(7) . ?
C12A C19B 1.911(9) . ?
C17A C9B 0.855(9) . ?
C17A C8B 1.209(9) . ?
C17A C16A 1.39 . ?
C17A N1A 1.39 . ?
C17A C10B 1.408(9) . ?
C17A C7B 1.941(10) . ?
C17A C11B 2.006(11) . ?
C16A C9B 0.602(11) . ?
C16A F7B 0.915(11) . ?
C16A C15A 1.39 . ?
C16A C10B 1.460(12) . ?
C16A C8B 1.969(10) . ?
C15A F7B 0.532(11) . ?
C15A C14A 1.39 . ?
C15A C9B 1.697(12) . ?
C14A C13A 1.39 . ?
C14A F7B 1.779(11) . ?
C14A F6B 1.820(8) . ?
C13A F6B 1.274(8) . ?
C13A N1A 1.39 . ?
C13A C8B 1.944(9) . ?
N1A C8B 1.188(7) . ?
N1A F6B 1.661(6) . ?
N1A C7B 1.893(9) . ?
N1A C9B 1.902(9) . ?
C27A C27B 0.701(10) . ?
C27A N3 1.315(9) . ?
C27A C26A 1.397(13) . ?
C27A C26B 1.529(10) . ?
C27A C22B 1.861(11) . ?
C26A C26B 0.721(11) . ?
C26A C25 1.293(11) . ?
C26A C27B 1.598(10) . ?
C24A C24B 0.699(10) . ?
C24A C23A 1.382(13) . ?
C24A C25 1.462(11) . ?
C24A C23B 1.507(10) . ?
C23A C23B 0.674(9) . ?
C23A N3 1.350(9) . ?
C23A C24B 1.584(10) . ?
N3 C27B 1.39 . ?
N3 C23B 1.39 . ?
C27B C26B 1.39 . ?
C27B C22B 1.469(4) . ?
C26B C25 1.39 . ?
C25 C24B 1.39 . ?
C24B C23B 1.39 . ?
F6B C8B 1.355(9) . ?
F7B C9B 1.325(13) . ?
F8B C10B 1.340(10) . ?
F9B C11B 1.316(12) . ?
F10B C12B 1.325(10) . ?
N1B C13B 1.39 . ?
N1B C17B 1.39 . ?
C13B C14B 1.39 . ?
C14B C15B 1.39 . ?
C15B C16B 1.39 . ?
C16B C17B 1.39 . ?
C17B C18B 1.444(7) . ?
C7B C12B 1.377(11) . ?
C7B C8B 1.386(12) . ?
C12B C11B 1.416(15) . ?
C11B C10B 1.378(16) . ?
C10B C9B 1.378(15) . ?
C9B C8B 1.408(14) . ?
C22B N2B 1.39 . ?
C22B C21B 1.39 . ?
N2B C18B 1.39 . ?
C18B C19B 1.39 . ?
C19B C20B 1.39 . ?
C20B C21B 1.39 . ?
F1B C2B 1.318(7) . ?
F2B C3B 1.323(6) . ?
F3B C4B 1.327(6) . ?
F4B C5B 1.307(6) . ?
F5B C6B 1.306(6) . ?
C1B C6B 1.39 . ?
C1B C2B 1.39 . ?
C6B C5B 1.39 . ?
C5B C4B 1.39 . ?
C4B C3B 1.39 . ?
C3B C2B 1.39 . ?
O1 C31 1.511(18) . ?
O1 C33 1.579(18) . ?
C31 C32 1.344(12) . ?
C32 C32 1.358(10) 2_556 ?
C33 C32 1.538(13) 2_556 ?
O2 C37 1.500(19) . ?
O2 C35 1.562(17) . ?
C35 C36 1.485(14) . ?
C36 C36 1.365(10) 2_566 ?
C37 C36 1.359(13) 2_566 ?

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
C7A Au1 C7A 180 2_665 . ?
C7A Au1 C7B 61.3(2) 2_665 . ?
C7A Au1 C7B 118.7(2) . . ?
C7A Au1 Ag1 60.09(14) 2_665 2_665 ?
C7A Au1 Ag1 119.91(14) . 2_665 ?
C7B Au1 Ag1 119.96(13) . 2_665 ?
C7A Au1 Ag1 119.91(14) 2_665 . ?
C7A Au1 Ag1 60.09(14) . . ?
C7B Au1 Ag1 60.04(13) . . ?
Ag1 Au1 Ag1 180 2_665 . ?
C1A Au2 C1A 180.0(6) . 2_655 ?
C1A Au2 C1B 40.3(2) . . ?
C1A Au2 C1B 139.7(4) 2_655 . ?
C1A Au2 Ag1 86.07(18) . . ?
C1A Au2 Ag1 93.9(6) 2_655 . ?
C1B Au2 Ag1 93.98(17) . . ?
C1A Au2 Ag1 93.93(18) . 2_655 ?
C1A Au2 Ag1 86.1(6) 2_655 2_655 ?
C1B Au2 Ag1 86.02(17) . 2_655 ?
Ag1 Au2 Ag1 180 . 2_655 ?
N3 Ag1 N2B 67.66(13) . . ?
N3 Ag1 N2A 67.75(12) . . ?
N2B Ag1 N2A 131.01(15) . . ?
N3 Ag1 N1B 131.51(13) . . ?
N2B Ag1 N1B 64.69(16) . . ?
N2A Ag1 N1B 159.12(15) . . ?
N3 Ag1 N1A 131.42(13) . . ?
N2B Ag1 N1A 159.27(15) . . ?
N2A Ag1 N1A 64.51(15) . . ?
N1B Ag1 N1A 97.06(16) . . ?
N3 Ag1 C7B 107.3(2) . . ?
N2B Ag1 C7B 130.1(2) . . ?
N2A Ag1 C7B 50.55(19) . . ?
N1B Ag1 C7B 109.6(2) . . ?
N1A Ag1 C7B 44.2(2) . . ?
N3 Ag1 C7A 107.6(2) . . ?
N2B Ag1 C7A 50.95(19) . . ?
N2A Ag1 C7A 130.0(2) . . ?
N1B Ag1 C7A 44.1(2) . . ?
N1A Ag1 C7A 109.3(2) . . ?
C7B Ag1 C7A 89.1(2) . . ?
N3 Ag1 Au2 93.47(8) . . ?
N2B Ag1 Au2 100.94(12) . . ?
N2A Ag1 Au2 100.96(12) . . ?
N1B Ag1 Au2 87.09(12) . . ?
N1A Ag1 Au2 87.14(12) . . ?
C7B Ag1 Au2 128.85(19) . . ?
C7A Ag1 Au2 128.86(17) . . ?
N3 Ag1 Au1 108.01(8) . . ?
N2B Ag1 Au1 87.66(12) . . ?
N2A Ag1 Au1 87.56(11) . . ?
N1B Ag1 Au1 78.79(12) . . ?
N1A Ag1 Au1 78.72(12) . . ?
C7B Ag1 Au1 45.01(17) . . ?
C7A Ag1 Au1 44.90(15) . . ?
Au2 Ag1 Au1 158.513(14) . . ?
O2 F2A C3A 129.3(10) 2_656 . ?
C4A F3A F2B 52.0(4) . . ?
C3B F4A F2B 70.7(5) . . ?
C3B F4A C4B 71.2(4) . . ?
F2B F4A C4B 141.8(5) . . ?
C3B F4A C5A 20.2(4) . . ?
F2B F4A C5A 50.5(4) . . ?
C4B F4A C5A 91.4(4) . . ?
C3B F4A F3B 126.3(6) . . ?
F2B F4A F3B 161.0(5) . . ?
C4B F4A F3B 55.5(4) . . ?
C5A F4A F3B 146.3(6) . . ?
C6B F5A C5B 78.9(4) . . ?
C6B F5A C1B 77.8(4) . . ?
C5B F5A C1B 147.0(6) . . ?
C6B F5A C6A 131.6(7) . . ?
C5B F5A C6A 134.6(6) . . ?
C1B F5A C6A 55.6(5) . . ?
C6B F5A C4B 127.1(6) . . ?
C5B F5A C4B 51.9(2) . . ?
C1B F5A C4B 133.4(5) . . ?
C6A F5A C4B 84.6(5) . . ?
C6B F5A C2B 125.5(6) . . ?
C5B F5A C2B 133.8(5) . . ?
C1B F5A C2B 51.3(2) . . ?
C6A F5A C2B 7.1(6) . . ?
C4B F5A C2B 86.2(3) . . ?
C2B C6A C1B 101.7(13) . . ?
C2B C6A F5A 154.1(19) . . ?
C1B C6A F5A 60.7(4) . . ?
C2B C6A C3B 88.8(11) . . ?
C1B C6A C3B 148.1(9) . . ?
F5A C6A C3B 97.8(5) . . ?
C2B C6A C5A 70.5(10) . . ?
C1B C6A C5A 158.2(6) . . ?
F5A C6A C5A 118.3(5) . . ?
C3B C6A C5A 20.4(3) . . ?
C2B C6A C1A 57.1(11) . . ?
C1B C6A C1A 66.5(4) . . ?
F5A C6A C1A 121.7(5) . . ?
C3B C6A C1A 140.4(3) . . ?
C5A C6A C1A 120 . . ?
C2B C6A F1B 18.5(14) . . ?
C1B C6A F1B 103.6(4) . . ?
F5A C6A F1B 164.2(5) . . ?
C3B C6A F1B 95.8(4) . . ?
C5A C6A F1B 75.6(2) . . ?
C1A C6A F1B 45.7(2) . . ?
C2B C6A C6B 136.6(16) . . ?
C1B C6A C6B 42.34(18) . . ?
F5A C6A C6B 19.5(3) . . ?
C3B C6A C6B 111.7(4) . . ?
C5A C6A C6B 131.5(3) . . ?
C1A C6A C6B 107.2(3) . . ?
F1B C6A C6B 144.9(4) . . ?
F2B C5A C2B 161.9(7) . . ?
F2B C5A F4A 57.8(4) . . ?
C2B C5A F4A 139.6(6) . . ?
F2B C5A C4A 61.0(5) . . ?
C2B C5A C4A 101.2(2) . . ?
F4A C5A C4A 118.8(5) . . ?
F2B C5A C6A 173.7(7) . . ?
C2B C5A C6A 21.2(4) . . ?
F4A C5A C6A 121.0(5) . . ?
C4A C5A C6A 120 . . ?
F2B C5A C4B 100.9(4) . . ?
C2B C5A C4B 96.8(4) . . ?
F4A C5A C4B 43.2(3) . . ?
C4A C5A C4B 161.9(3) . . ?
C6A C5A C4B 77.9(3) . . ?
F2B C4A F3A 72.3(4) . . ?
F2B C4A C5A 47.7(4) . . ?
F3A C4A C5A 119.7(5) . . ?
F2B C4A C3A 166.4(5) . . ?
F3A C4A C3A 120.3(5) . . ?
C5A C4A C3A 120 . . ?
F2B C4A F1B 124.5(4) . . ?
F3A C4A F1B 160.2(6) . . ?
C5A C4A F1B 77.0(2) . . ?
C3A C4A F1B 44.4(2) . . ?
F2B C4A C3B 45.0(3) . . ?
F3A C4A C3B 117.1(5) . . ?
C5A C4A C3B 2.6(3) . . ?
C3A C4A C3B 122.6(3) . . ?
F1B C4A C3B 79.6(3) . . ?
F1B C3A F2A 151.6(6) . . ?
F1B C3A C2A 39.7(3) . . ?
F2A C3A C2A 119.9(4) . . ?
F1B C3A C4A 83.3(3) . . ?
F2A C3A C4A 120.1(4) . . ?
C2A C3A C4A 120 . . ?
F1B C2A F1A 157.3(8) . . ?
F1B C2A C3A 60.5(4) . . ?
F1A C2A C3A 116.9(4) . . ?
F1B C2A C1A 64.1(5) . . ?
F1A C2A C1A 123.1(4) . . ?
C3A C2A C1A 120 . . ?
F1B C2A C2B 30.2(5) . . ?
F1A C2A C2B 156.8(4) . . ?
C3A C2A C2B 85.2(2) . . ?
C1A C2A C2B 35.4(3) . . ?
C2B C1A F1B 64.1(4) . . ?
C2B C1A C2A 102.3(3) . . ?
F1B C1A C2A 39.1(3) . . ?
C2B C1A C6A 20.7(4) . . ?
F1B C1A C6A 83.6(3) . . ?
C2A C1A C6A 120 . . ?
C2B C1A C1B 63.3(4) . . ?
F1B C1A C1B 121.9(5) . . ?
C2A C1A C1B 158.6(5) . . ?
C6A C1A C1B 50.3(4) . . ?
C2B C1A Au2 132.2(5) . . ?
F1B C1A Au2 144.9(5) . . ?
C2A C1A Au2 119.2(3) . . ?
C6A C1A Au2 119.5(3) . . ?
C1B C1A Au2 69.9(2) . . ?
C13B F6A C8A 94.8(4) . . ?
C13B F6A N1B 54.4(2) . . ?
C8A F6A N1B 45.2(3) . . ?
C13B F6A C14B 49.4(3) . . ?
C8A F6A C14B 101.1(5) . . ?
N1B F6A C14B 87.1(3) . . ?
C15B F7A C16B 145.9(17) . . ?
C15B F7A C9A 126.0(13) . . ?
C16B F7A C9A 22.7(6) . . ?
C15B F7A C14B 35.9(8) . . ?
C16B F7A C14B 122.6(7) . . ?
C9A F7A C14B 99.9(6) . . ?
C10A F8A F8A 160.3(9) . 2_664 ?
C20B F9A C19B 137.9(17) . . ?
C20B F9A C11A 126.8(13) . . ?
C19B F9A C11A 19.9(6) . . ?
C20B F9A C21B 38.1(6) . . ?
C19B F9A C21B 123.7(8) . . ?
C11A F9A C21B 104.5(7) . . ?
C12A F10A C22B 90.4(3) . . ?
C22A N2A C18A 120 . . ?
C22A N2A C12B 101.2(4) . . ?
C18A N2A C12B 51.6(4) . . ?
C22A N2A C11B 99.8(4) . . ?
C18A N2A C11B 20.7(4) . . ?
C12B N2A C11B 46.3(5) . . ?
C22A N2A Ag1 115.8(2) . . ?
C18A N2A Ag1 121.4(2) . . ?
C12B N2A Ag1 101.7(4) . . ?
C11B N2A Ag1 137.6(4) . . ?
C21A C22A N2A 120 . . ?
C21A C22A C23A 124.7(5) . . ?
N2A C22A C23A 115.2(5) . . ?
C21A C22A F10B 81.9(3) . . ?
N2A C22A F10B 74.3(3) . . ?
C23A C22A F10B 116.5(5) . . ?
C21A C22A C23B 129.6(3) . . ?
N2A C22A C23B 105.3(3) . . ?
C23A C22A C23B 21.2(3) . . ?
F10B C22A C23B 134.2(3) . . ?
C22A C21A C20A 120 . . ?
C22A C21A F9B 104.5(3) . . ?
C20A C21A F9B 17.0(3) . . ?
F9B C20A C19A 22.3(11) . . ?
F9B C20A C21A 124.5(8) . . ?
C19A C20A C21A 120 . . ?
F9B C20A C11B 34.8(10) . . ?
C19A C20A C11B 16.7(4) . . ?
C21A C20A C11B 104.0(3) . . ?
C11B C19A F9B 131.8(14) . . ?
C11B C19A C18A 15.9(10) . . ?
F9B C19A C18A 124.0(6) . . ?
C11B C19A C20A 122.7(13) . . ?
F9B C19A C20A 17.5(10) . . ?
C18A C19A C20A 120 . . ?
C11B C19A C10B 58.2(15) . . ?
F9B C19A C10B 151.1(12) . . ?
C18A C19A C10B 56.7(4) . . ?
C20A C19A C10B 167.1(4) . . ?
C11B C19A C12B 29.4(14) . . ?
F9B C19A C12B 112.6(8) . . ?
C18A C19A C12B 40.2(3) . . ?
C20A C19A C12B 98.5(3) . . ?
C10B C19A C12B 85.6(5) . . ?
C11B C18A C12B 84.2(11) . . ?
C11B C18A C19A 11.9(8) . . ?
C12B C18A C19A 93.4(4) . . ?
C11B C18A N2A 122.3(10) . . ?
C12B C18A N2A 67.0(4) . . ?
C19A C18A N2A 120 . . ?
C11B C18A C10B 69.5(10) . . ?
C12B C18A C10B 127.7(5) . . ?
C19A C18A C10B 69.0(5) . . ?
N2A C18A C10B 164.0(5) . . ?
C11B C18A C17A 122.0(10) . . ?
C12B C18A C17A 107.5(6) . . ?
C19A C18A C17A 125.8(4) . . ?
N2A C18A C17A 114.2(4) . . ?
C10B C18A C17A 58.5(5) . . ?
C11B C18A C7B 115.1(9) . . ?
C12B C18A C7B 42.8(5) . . ?
C19A C18A C7B 126.8(3) . . ?
N2A C18A C7B 75.8(3) . . ?
C10B C18A C7B 110.3(5) . . ?
C17A C18A C7B 66.3(4) . . ?
C12A C7A C8A 114.1(7) . . ?
C12A C7A N1B 113.3(5) . . ?
C8A C7A N1B 39.0(3) . . ?
C12A C7A C17B 79.5(5) . . ?
C8A C7A C17B 38.0(4) . . ?
N1B C7A C17B 42.67(19) . . ?
C12A C7A C18B 37.6(4) . . ?
C8A C7A C18B 80.3(5) . . ?
N1B C7A C18B 76.8(3) . . ?
C17B C7A C18B 43.0(2) . . ?
C12A C7A Au1 121.9(6) . . ?
C8A C7A Au1 122.6(5) . . ?
N1B C7A Au1 118.1(4) . . ?
C17B C7A Au1 158.5(5) . . ?
C18B C7A Au1 156.9(5) . . ?
C12A C7A Ag1 102.5(4) . . ?
C8A C7A Ag1 105.5(4) . . ?
N1B C7A Ag1 67.5(2) . . ?
C17B C7A Ag1 99.3(3) . . ?
C18B C7A Ag1 97.2(3) . . ?
Au1 C7A Ag1 75.0(2) . . ?
N1B C8A C17B 71.3(4) . . ?
N1B C8A F6A 81.8(5) . . ?
C17B C8A F6A 136.5(7) . . ?
N1B C8A C9A 95.1(5) . . ?
C17B C8A C9A 36.8(5) . . ?
F6A C8A C9A 117.2(8) . . ?
N1B C8A C7A 93.3(5) . . ?
C17B C8A C7A 95.8(6) . . ?
F6A C8A C7A 119.8(7) . . ?
C9A C8A C7A 123.0(8) . . ?
N1B C8A C13B 45.5(3) . . ?
C17B C8A C13B 97.7(4) . . ?
F6A C8A C13B 41.5(3) . . ?
C9A C8A C13B 96.3(6) . . ?
C7A C8A C13B 127.3(5) . . ?
N1B C8A C16B 97.6(5) . . ?
C17B C8A C16B 45.3(3) . . ?
F6A C8A C16B 108.7(6) . . ?
C9A C8A C16B 9.2(5) . . ?
C7A C8A C16B 131.3(6) . . ?
C13B C8A C16B 91.7(4) . . ?
C16B C9A C17B 145.0(18) . . ?
C16B C9A C10A 86.3(15) . . ?
C17B C9A C10A 76.2(10) . . ?
C16B C9A C8A 150.5(17) . . ?
C17B C9A C8A 60.3(8) . . ?
C10A C9A C8A 121.2(10) . . ?
C16B C9A F7A 34.3(10) . . ?
C17B C9A F7A 140.9(10) . . ?
C10A C9A F7A 119.7(10) . . ?
C8A C9A F7A 119.0(9) . . ?
C16B C9A C15B 47.6(9) . . ?
C17B C9A C15B 137.3(11) . . ?
C10A C9A C15B 133.7(9) . . ?
C8A C9A C15B 104.9(8) . . ?
F7A C9A C15B 14.2(4) . . ?
C16B C9A N1B 139.8(13) . . ?
C17B C9A N1B 41.9(6) . . ?
C10A C9A N1B 117.9(7) . . ?
C8A C9A N1B 38.9(3) . . ?
F7A C9A N1B 109.8(7) . . ?
C15B C9A N1B 100.0(6) . . ?
C16B C9A C18B 129.3(15) . . ?
C17B C9A C18B 35.2(7) . . ?
C10A C9A C18B 44.3(5) . . ?
C8A C9A C18B 79.9(6) . . ?
F7A C9A C18B 157.1(8) . . ?
C15B C9A C18B 167.1(6) . . ?
N1B C9A C18B 76.0(4) . . ?
C9A C10A F8A 120.8(10) . . ?
C9A C10A C11A 120.5(9) . . ?
F8A C10A C11A 118.6(9) . . ?
C9A C10A C17B 35.1(4) . . ?
F8A C10A C17B 141.8(8) . . ?
C11A C10A C17B 92.7(7) . . ?
C9A C10A C18B 94.8(7) . . ?
F8A C10A C18B 137.4(7) . . ?
C11A C10A C18B 34.3(4) . . ?
C17B C10A C18B 61.6(5) . . ?
C9A C10A C16B 25.9(5) . . ?
F8A C10A C16B 95.3(7) . . ?
C11A C10A C16B 145.7(8) . . ?
C17B C10A C16B 58.7(4) . . ?
C18B C10A C16B 120.1(6) . . ?
C9A C10A C19B 141.0(8) . . ?
F8A C10A C19B 97.6(7) . . ?
C11A C10A C19B 21.8(4) . . ?
C17B C10A C19B 114.5(6) . . ?
C18B C10A C19B 54.3(4) . . ?
C16B C10A C19B 162.8(6) . . ?
C19B C11A C18B 151.4(17) . . ?
C19B C11A F9A 27.7(9) . . ?
C18B C11A F9A 133.6(9) . . ?
C19B C11A C10A 99.9(17) . . ?
C18B C11A C10A 75.9(10) . . ?
F9A C11A C10A 122.1(11) . . ?
C19B C11A C12A 139.2(19) . . ?
C18B C11A C12A 61.0(8) . . ?
F9A C11A C12A 120.6(11) . . ?
C10A C11A C12A 117.3(9) . . ?
C19B C11A C20B 41.0(11) . . ?
C18B C11A C20B 130.2(10) . . ?
F9A C11A C20B 17.2(5) . . ?
C10A C11A C20B 139.2(9) . . ?
C12A C11A C20B 103.5(9) . . ?
C19B C11A N2B 132.2(13) . . ?
C18B C11A N2B 37.0(6) . . ?
F9A C11A N2B 105.0(7) . . ?
C10A C11A N2B 112.2(6) . . ?
C12A C11A N2B 48.4(4) . . ?
C20B C11A N2B 95.6(6) . . ?
C19B C11A C17B 143.5(18) . . ?
C18B C11A C17B 37.7(7) . . ?
F9A C11A C17B 157.3(9) . . ?
C10A C11A C17B 43.9(5) . . ?
C12A C11A C17B 76.2(6) . . ?
C20B C11A C17B 166.4(5) . . ?
N2B C11A C17B 73.9(4) . . ?
C18B C12A F10A 132.0(6) . . ?
C18B C12A C7A 99.5(7) . . ?
F10A C12A C7A 120.4(7) . . ?
C18B C12A C11A 35.7(5) . . ?
F10A C12A C11A 115.6(8) . . ?
C7A C12A C11A 123.9(9) . . ?
C18B C12A N2B 61.0(3) . . ?
F10A C12A N2B 86.6(4) . . ?
C7A C12A N2B 97.8(5) . . ?
C11A C12A N2B 85.7(4) . . ?
C18B C12A C19B 46.6(3) . . ?
F10A C12A C19B 104.8(5) . . ?
C7A C12A C19B 134.4(7) . . ?
C11A C12A C19B 11.9(5) . . ?
N2B C12A C19B 89.8(4) . . ?
C9B C17A C8B 84.2(10) . . ?
C9B C17A C16A 14.6(9) . . ?
C8B C17A C16A 98.3(4) . . ?
C9B C17A N1A 113.6(9) . . ?
C8B C17A N1A 53.9(4) . . ?
C16A C17A N1A 120 . . ?
C9B C17A C10B 70.2(9) . . ?
C8B C17A C10B 131.0(6) . . ?
C16A C17A C10B 62.9(5) . . ?
N1A C17A C10B 174.8(5) . . ?
C9B C17A C18A 127.0(9) . . ?
C8B C17A C18A 114.5(6) . . ?
C16A C17A C18A 122.8(4) . . ?
N1A C17A C18A 117.2(4) . . ?
C10B C17A C18A 60.1(5) . . ?
C9B C17A C7B 119.3(9) . . ?
C8B C17A C7B 45.1(5) . . ?
C16A C17A C7B 133.3(3) . . ?
N1A C17A C7B 66.9(3) . . ?
C10B C17A C7B 114.8(5) . . ?
C18A C17A C7B 70.6(4) . . ?
C9B C17A C11B 106.9(9) . . ?
C8B C17A C11B 114.6(6) . . ?
C16A C17A C11B 104.0(5) . . ?
N1A C17A C11B 135.1(5) . . ?
C10B C17A C11B 43.4(5) . . ?
C18A C17A C11B 20.2(3) . . ?
C7B C17A C11B 77.1(5) . . ?
C9B C16A F7B 120.2(15) . . ?
C9B C16A C17A 21.0(11) . . ?
F7B C16A C17A 126.3(6) . . ?
C9B C16A C15A 110.4(13) . . ?
F7B C16A C15A 12.2(8) . . ?
C17A C16A C15A 120 . . ?
C9B C16A C10B 70.2(14) . . ?
F7B C16A C10B 164.6(11) . . ?
C17A C16A C10B 59.2(4) . . ?
C15A C16A C10B 175.7(5) . . ?
C9B C16A C8B 17.8(13) . . ?
F7B C16A C8B 105.4(7) . . ?
C17A C16A C8B 37.4(3) . . ?
C15A C16A C8B 94.6(3) . . ?
C10B C16A C8B 86.7(5) . . ?
F7B C15A C16A 21.3(14) . . ?
F7B C15A C14A 130.0(10) . . ?
C16A C15A C14A 120 . . ?
F7B C15A C9B 38.7(11) . . ?
C16A C15A C9B 19.4(4) . . ?
C14A C15A C9B 101.7(3) . . ?
C15A C14A C13A 120 . . ?
C15A C14A F7B 13.2(3) . . ?
C13A C14A F7B 107.7(3) . . ?
C15A C14A F6B 100.2(3) . . ?
C13A C14A F6B 44.3(2) . . ?
F7B C14A F6B 94.5(4) . . ?
F6B C13A N1A 77.0(3) . . ?
F6B C13A C14A 86.1(4) . . ?
N1A C13A C14A 120 . . ?
F6B C13A C8B 44.0(3) . . ?
N1A C13A C8B 37.3(2) . . ?
C14A C13A C8B 95.1(3) . . ?
C8B N1A C13A 97.6(5) . . ?
C8B N1A C17A 55.2(5) . . ?
C13A N1A C17A 120 . . ?
C8B N1A F6B 53.7(5) . . ?
C13A N1A F6B 48.4(3) . . ?
C17A N1A F6B 101.2(3) . . ?
C8B N1A C7B 46.9(5) . . ?
C13A N1A C7B 131.9(3) . . ?
C17A N1A C7B 70.6(4) . . ?
F6B N1A C7B 84.3(4) . . ?
C8B N1A C9B 47.6(5) . . ?
C13A N1A C9B 96.3(4) . . ?
C17A N1A C9B 24.3(4) . . ?
F6B N1A C9B 80.7(4) . . ?
C7B N1A C9B 81.4(5) . . ?
C8B N1A Ag1 113.5(5) . . ?
C13A N1A Ag1 120.1(3) . . ?
C17A N1A Ag1 119.8(3) . . ?
F6B N1A Ag1 116.0(3) . . ?
C7B N1A Ag1 68.1(2) . . ?
C9B N1A Ag1 142.5(5) . . ?
C27B C27A N3 81.0(8) . . ?
C27B C27A C26A 93.3(10) . . ?
N3 C27A C26A 124.2(7) . . ?
C27B C27A C26B 65.3(7) . . ?
N3 C27A C26B 115.5(6) . . ?
C26A C27A C26B 28.0(5) . . ?
C27B C27A C22B 46.4(7) . . ?
N3 C27A C22B 97.7(6) . . ?
C26A C27A C22B 117.9(8) . . ?
C26B C27A C22B 96.1(5) . . ?
C26B C26A C25 82.0(8) . . ?
C26B C26A C27A 86.2(10) . . ?
C25 C26A C27A 119.9(7) . . ?
C26B C26A C27B 60.3(7) . . ?
C25 C26A C27B 112.3(6) . . ?
C27A C26A C27B 25.9(4) . . ?
C24B C24A C23A 93.3(10) . . ?
C24B C24A C25 70.2(8) . . ?
C23A C24A C25 117.8(7) . . ?
C24B C24A C23B 66.9(8) . . ?
C23A C24A C23B 26.5(4) . . ?
C25 C24A C23B 108.4(6) . . ?
C23B C23A N3 79.1(9) . . ?
C23B C23A C24A 87.1(10) . . ?
N3 C23A C24A 121.8(8) . . ?
C23B C23A C22A 105.9(10) . . ?
N3 C23A C22A 116.9(7) . . ?
C24A C23A C22A 121.2(7) . . ?
C23B C23A C24B 61.1(7) . . ?
N3 C23A C24B 110.0(6) . . ?
C24A C23A C24B 26.1(4) . . ?
C22A C23A C24B 127.6(6) . . ?
C27A N3 C23A 117.7(6) . . ?
C27A N3 C27B 29.9(4) . . ?
C23A N3 C27B 113.4(4) . . ?
C27A N3 C23B 108.4(4) . . ?
C23A N3 C23B 28.4(4) . . ?
C27B N3 C23B 120 . . ?
C27A N3 Ag1 121.3(4) . . ?
C23A N3 Ag1 120.6(4) . . ?
C27B N3 Ag1 120.77(16) . . ?
C23B N3 Ag1 118.98(16) . . ?
C27A C27B N3 69.1(8) . . ?
C27A C27B C26B 87.5(8) . . ?
N3 C27B C26B 120 . . ?
C27A C27B C22B 113.3(9) . . ?
N3 C27B C22B 115.5(3) . . ?
C26B C27B C22B 124.5(3) . . ?
C27A C27B C26A 60.7(9) . . ?
N3 C27B C26A 106.4(4) . . ?
C26B C27B C26A 26.8(4) . . ?
C22B C27B C26A 131.9(5) . . ?
C26A C26B C27B 93.0(8) . . ?
C26A C26B C25 67.1(9) . . ?
C27B C26B C25 120 . . ?
C26A C26B C27A 65.7(9) . . ?
C27B C26B C27A 27.2(4) . . ?
C25 C26B C27A 105.7(4) . . ?
C26A C25 C24B 110.4(5) . . ?
C26A C25 C26B 30.9(5) . . ?
C24B C25 C26B 120 . . ?
C26A C25 C24A 118.5(6) . . ?
C24B C25 C24A 28.2(4) . . ?
C26B C25 C24A 111.6(4) . . ?
C24A C24B C25 81.6(9) . . ?
C24A C24B C23B 85.6(9) . . ?
C25 C24B C23B 120 . . ?
C24A C24B C23A 60.6(9) . . ?
C25 C24B C23A 109.8(3) . . ?
C23B C24B C23A 25.1(4) . . ?
C23A C23B C24B 93.8(9) . . ?
C23A C23B N3 72.5(8) . . ?
C24B C23B N3 120 . . ?
C23A C23B C24A 66.4(9) . . ?
C24B C23B C24A 27.6(4) . . ?
N3 C23B C24A 110.9(4) . . ?
C23A C23B C22A 52.8(9) . . ?
C24B C23B C22A 119.4(2) . . ?
N3 C23B C22A 98.1(3) . . ?
C24A C23B C22A 98.1(5) . . ?
C13A F6B C8B 95.3(4) . . ?
C13A F6B N1A 54.6(2) . . ?
C8B F6B N1A 45.0(3) . . ?
C13A F6B C14A 49.6(3) . . ?
C8B F6B C14A 102.2(5) . . ?
N1A F6B C14A 87.4(3) . . ?
C15A F7B C16A 147(2) . . ?
C15A F7B C9B 126.7(15) . . ?
C16A F7B C9B 23.1(6) . . ?
C15A F7B C14A 36.8(8) . . ?
C16A F7B C14A 123.4(7) . . ?
C9B F7B C14A 100.3(6) . . ?
C20A F9B C19A 140(2) . . ?
C20A F9B C11B 128.7(15) . . ?
C19A F9B C11B 20.4(6) . . ?
C20A F9B C21A 38.5(6) . . ?
C19A F9B C21A 124.8(8) . . ?
C11B F9B C21A 105.1(7) . . ?
C12B F10B C22A 90.5(4) . . ?
C8A N1B C13B 96.9(5) . . ?
C8A N1B C17B 54.5(5) . . ?
C13B N1B C17B 120 . . ?
C8A N1B F6A 53.0(5) . . ?
C13B N1B F6A 48.9(3) . . ?
C17B N1B F6A 100.7(3) . . ?
C8A N1B C7A 47.7(5) . . ?
C13B N1B C7A 131.7(3) . . ?
C17B N1B C7A 70.2(4) . . ?
F6A N1B C7A 83.6(4) . . ?
C8A N1B C9A 46.0(5) . . ?
C13B N1B C9A 97.4(4) . . ?
C17B N1B C9A 23.3(4) . . ?
F6A N1B C9A 80.9(4) . . ?
C7A N1B C9A 80.0(5) . . ?
C8A N1B Ag1 114.7(5) . . ?
C13B N1B Ag1 120.4(3) . . ?
C17B N1B Ag1 119.6(3) . . ?
F6A N1B Ag1 115.9(3) . . ?
C7A N1B Ag1 68.3(2) . . ?
C9A N1B Ag1 141.1(5) . . ?
F6A C13B N1B 76.7(3) . . ?
F6A C13B C14B 85.9(4) . . ?
N1B C13B C14B 120 . . ?
F6A C13B C8A 43.7(3) . . ?
N1B C13B C8A 37.7(3) . . ?
C14B C13B C8A 94.3(3) . . ?
C13B C14B C15B 120 . . ?
C13B C14B F7A 108.1(3) . . ?
C15B C14B F7A 12.8(3) . . ?
C13B C14B F6A 44.7(3) . . ?
C15B C14B F6A 99.7(3) . . ?
F7A C14B F6A 94.3(4) . . ?
F7A C15B C16B 21.9(11) . . ?
F7A C15B C14B 131.3(10) . . ?
C16B C15B C14B 120 . . ?
F7A C15B C9A 39.8(10) . . ?
C16B C15B C9A 19.6(4) . . ?
C14B C15B C9A 101.5(4) . . ?
C9A C16B F7A 123.0(15) . . ?
C9A C16B C15B 112.8(12) . . ?
F7A C16B C15B 12.3(7) . . ?
C9A C16B C17B 19.9(10) . . ?
F7A C16B C17B 126.9(6) . . ?
C15B C16B C17B 120 . . ?
C9A C16B C10A 67.7(13) . . ?
F7A C16B C10A 164.4(10) . . ?
C15B C16B C10A 175.3(4) . . ?
C17B C16B C10A 58.9(4) . . ?
C9A C16B C8A 20.3(12) . . ?
F7A C16B C8A 105.4(7) . . ?
C15B C16B C8A 94.2(3) . . ?
C17B C16B C8A 37.7(3) . . ?
C10A C16B C8A 86.9(5) . . ?
C9A C17B C8A 82.9(10) . . ?
C9A C17B C16B 15.1(8) . . ?
C8A C17B C16B 97.0(5) . . ?
C9A C17B N1B 114.8(9) . . ?
C8A C17B N1B 54.3(4) . . ?
C16B C17B N1B 120 . . ?
C9A C17B C10A 68.8(10) . . ?
C8A C17B C10A 130.8(6) . . ?
C16B C17B C10A 62.4(6) . . ?
N1B C17B C10A 174.8(5) . . ?
C9A C17B C18B 125.6(10) . . ?
C8A C17B C18B 116.3(6) . . ?
C16B C17B C18B 122.6(5) . . ?
N1B C17B C18B 117.4(5) . . ?
C10A C17B C18B 60.4(5) . . ?
C9A C17B C7A 118.0(9) . . ?
C8A C17B C7A 46.2(5) . . ?
C16B C17B C7A 132.9(3) . . ?
N1B C17B C7A 67.1(3) . . ?
C10A C17B C7A 115.1(5) . . ?
C18B C17B C7A 71.4(4) . . ?
C9A C17B C11A 105.1(10) . . ?
C8A C17B C11A 115.8(6) . . ?
C16B C17B C11A 103.6(5) . . ?
N1B C17B C11A 135.6(5) . . ?
C10A C17B C11A 43.4(5) . . ?
C18B C17B C11A 20.6(3) . . ?
C7A C17B C11A 77.7(5) . . ?
C12B C7B C8B 114.7(8) . . ?
C12B C7B N1A 113.6(5) . . ?
C8B C7B N1A 38.7(3) . . ?
C12B C7B C17A 79.9(5) . . ?
C8B C7B C17A 38.2(4) . . ?
N1A C7B C17A 42.5(2) . . ?
C12B C7B C18A 37.8(4) . . ?
C8B C7B C18A 80.6(5) . . ?
N1A C7B C18A 77.0(3) . . ?
C17A C7B C18A 43.1(2) . . ?
C12B C7B Au1 122.1(7) . . ?
C8B C7B Au1 121.7(6) . . ?
N1A C7B Au1 117.8(4) . . ?
C17A C7B Au1 157.8(5) . . ?
C18A C7B Au1 157.5(5) . . ?
C12B C7B Ag1 102.7(4) . . ?
C8B C7B Ag1 105.2(4) . . ?
N1A C7B Ag1 67.7(2) . . ?
C17A C7B Ag1 99.4(3) . . ?
C18A C7B Ag1 97.7(3) . . ?
Au1 C7B Ag1 75.0(2) . . ?
C18A C12B F10B 132.6(6) . . ?
C18A C12B C7B 99.5(7) . . ?
F10B C12B C7B 120.1(8) . . ?
C18A C12B C11B 35.0(5) . . ?
F10B C12B C11B 116.4(8) . . ?
C7B C12B C11B 123.5(9) . . ?
C18A C12B N2A 61.4(3) . . ?
F10B C12B N2A 86.8(4) . . ?
C7B C12B N2A 97.8(5) . . ?
C11B C12B N2A 85.6(5) . . ?
C18A C12B C19A 46.3(3) . . ?
F10B C12B C19A 105.2(6) . . ?
C7B C12B C19A 134.3(7) . . ?
C11B C12B C19A 12.3(5) . . ?
N2A C12B C19A 89.9(4) . . ?
C19A C11B C18A 152.2(18) . . ?
C19A C11B F9B 27.8(9) . . ?
C18A C11B F9B 134.0(9) . . ?
C19A C11B C10B 99.6(17) . . ?
C18A C11B C10B 76.8(10) . . ?
F9B C11B C10B 121.9(11) . . ?
C19A C11B C12B 138.3(19) . . ?
C18A C11B C12B 60.8(9) . . ?
F9B C11B C12B 119.6(11) . . ?
C10B C11B C12B 118.6(9) . . ?
C19A C11B C20A 40.6(10) . . ?
C18A C11B C20A 130.2(11) . . ?
F9B C11B C20A 16.5(6) . . ?
C10B C11B C20A 138.2(10) . . ?
C12B C11B C20A 103.2(9) . . ?
C19A C11B N2A 132.1(13) . . ?
C18A C11B N2A 37.0(6) . . ?
F9B C11B N2A 104.8(7) . . ?
C10B C11B N2A 113.0(6) . . ?
C12B C11B N2A 48.1(4) . . ?
C20A C11B N2A 95.6(6) . . ?
C19A C11B C17A 143.9(18) . . ?
C18A C11B C17A 37.8(7) . . ?
F9B C11B C17A 157.8(9) . . ?
C10B C11B C17A 44.5(5) . . ?
C12B C11B C17A 76.8(6) . . ?
C20A C11B C17A 166.3(5) . . ?
N2A C11B C17A 74.1(4) . . ?
F8B C10B C9B 119.3(10) . . ?
F8B C10B C11B 119.7(9) . . ?
C9B C10B C11B 121.0(9) . . ?
F8B C10B C17A 141.5(8) . . ?
C9B C10B C17A 35.7(4) . . ?
C11B C10B C17A 92.1(7) . . ?
F8B C10B C18A 138.4(7) . . ?
C9B C10B C18A 95.4(7) . . ?
C11B C10B C18A 33.7(4) . . ?
C17A C10B C18A 61.4(4) . . ?
F8B C10B C16A 95.4(7) . . ?
C9B C10B C16A 24.3(5) . . ?
C11B C10B C16A 144.6(8) . . ?
C17A C10B C16A 58.0(4) . . ?
C18A C10B C16A 119.1(6) . . ?
F8B C10B C19A 98.4(7) . . ?
C9B C10B C19A 141.8(8) . . ?
C11B C10B C19A 22.3(5) . . ?
C17A C10B C19A 114.3(6) . . ?
C18A C10B C19A 54.2(4) . . ?
C16A C10B C19A 162.3(7) . . ?
C16A C9B C17A 144(2) . . ?
C16A C9B F7B 36.7(11) . . ?
C17A C9B F7B 142.1(9) . . ?
C16A C9B C10B 85.5(15) . . ?
C17A C9B C10B 74.1(9) . . ?
F7B C9B C10B 121.2(10) . . ?
C16A C9B C8B 154.6(17) . . ?
C17A C9B C8B 58.6(8) . . ?
F7B C9B C8B 121.2(9) . . ?
C10B C9B C8B 117.5(10) . . ?
C16A C9B C15A 50.1(10) . . ?
C17A C9B C15A 138.8(10) . . ?
F7B C9B C15A 14.5(5) . . ?
C10B C9B C15A 135.4(10) . . ?
C8B C9B C15A 106.8(8) . . ?
C16A C9B N1A 142.5(14) . . ?
C17A C9B N1A 42.0(5) . . ?
F7B C9B N1A 110.7(7) . . ?
C10B C9B N1A 116.0(7) . . ?
C8B C9B N1A 38.6(3) . . ?
C15A C9B N1A 101.0(6) . . ?
N1A C8B C17A 70.9(4) . . ?
N1A C8B F6B 81.3(5) . . ?
C17A C8B F6B 134.3(8) . . ?
N1A C8B C7B 94.4(5) . . ?
C17A C8B C7B 96.7(6) . . ?
F6B C8B C7B 121.5(7) . . ?
N1A C8B C9B 93.8(6) . . ?
C17A C8B C9B 37.2(5) . . ?
F6B C8B C9B 113.8(8) . . ?
C7B C8B C9B 124.7(8) . . ?
N1A C8B C13A 45.1(3) . . ?
C17A C8B C13A 96.8(5) . . ?
F6B C8B C13A 40.7(3) . . ?
C7B C8B C13A 128.2(5) . . ?
C9B C8B C13A 93.9(6) . . ?
N1A C8B C16A 96.2(5) . . ?
C17A C8B C16A 44.3(3) . . ?
F6B C8B C16A 107.0(6) . . ?
C7B C8B C16A 131.4(6) . . ?
C9B C8B C16A 7.5(5) . . ?
C13A C8B C16A 90.5(4) . . ?
N2B C22B C21B 120 . . ?
N2B C22B C27B 116.3(3) . . ?
C21B C22B C27B 123.6(3) . . ?
N2B C22B F10A 74.9(3) . . ?
C21B C22B F10A 81.2(3) . . ?
C27B C22B F10A 117.0(4) . . ?
N2B C22B C27A 104.5(4) . . ?
C21B C22B C27A 131.3(4) . . ?
C27B C22B C27A 20.2(3) . . ?
F10A C22B C27A 132.3(4) . . ?
C22B N2B C18B 120 . . ?
C22B N2B C12A 101.1(4) . . ?
C18B N2B C12A 51.5(4) . . ?
C22B N2B C11A 99.5(4) . . ?
C18B N2B C11A 21.0(4) . . ?
C12A N2B C11A 45.9(4) . . ?
C22B N2B Ag1 116.0(2) . . ?
C18B N2B Ag1 121.0(3) . . ?
C12A N2B Ag1 101.6(4) . . ?
C11A N2B Ag1 137.3(4) . . ?
C11A C18B C12A 83.4(11) . . ?
C11A C18B C19B 12.0(8) . . ?
C12A C18B C19B 92.9(5) . . ?
C11A C18B N2B 122.0(10) . . ?
C12A C18B N2B 67.6(4) . . ?
C19B C18B N2B 120 . . ?
C11A C18B C10A 69.8(10) . . ?
C12A C18B C10A 126.4(6) . . ?
C19B C18B C10A 69.2(5) . . ?
N2B C18B C10A 164.6(5) . . ?
C11A C18B C17B 121.7(10) . . ?
C12A C18B C17B 106.8(5) . . ?
C19B C18B C17B 125.5(5) . . ?
N2B C18B C17B 114.5(5) . . ?
C10A C18B C17B 58.0(5) . . ?
C11A C18B C7A 114.5(9) . . ?
C12A C18B C7A 42.9(5) . . ?
C19B C18B C7A 126.4(3) . . ?
N2B C18B C7A 76.2(3) . . ?
C10A C18B C7A 109.1(5) . . ?
C17B C18B C7A 65.7(4) . . ?
C11A C18B C9A 102.6(10) . . ?
C12A C18B C9A 109.0(5) . . ?
C19B C18B C9A 106.4(4) . . ?
N2B C18B C9A 133.5(4) . . ?
C10A C18B C9A 40.9(5) . . ?
C17B C18B C9A 19.2(3) . . ?
C7A C18B C9A 73.8(4) . . ?
C11A C19B F9A 132.4(14) . . ?
C11A C19B C18B 16.6(10) . . ?
F9A C19B C18B 124.3(7) . . ?
C11A C19B C20B 122.4(14) . . ?
F9A C19B C20B 18.6(8) . . ?
C18B C19B C20B 120 . . ?
C11A C19B C10A 58.2(15) . . ?
F9A C19B C10A 151.0(11) . . ?
C18B C19B C10A 56.5(4) . . ?
C20B C19B C10A 167.8(4) . . ?
C11A C19B C12A 28.9(14) . . ?
F9A C19B C12A 113.6(7) . . ?
C18B C19B C12A 40.5(3) . . ?
C20B C19B C12A 98.5(3) . . ?
C10A C19B C12A 85.1(5) . . ?
F9A C20B C21B 124.8(9) . . ?
F9A C20B C19B 23.5(9) . . ?
C21B C20B C19B 120 . . ?
F9A C20B C11A 36.0(9) . . ?
C21B C20B C11A 104.2(3) . . ?
C19B C20B C11A 16.6(4) . . ?
C20B C21B C22B 120 . . ?
C20B C21B F9A 17.1(3) . . ?
C22B C21B F9A 104.6(3) . . ?
C2A F1B C3A 79.9(5) . . ?
C2A F1B C1A 76.7(5) . . ?
C3A F1B C1A 146.6(6) . . ?
C2A F1B C2B 129.6(8) . . ?
C3A F1B C2B 134.9(6) . . ?
C1A F1B C2B 54.6(5) . . ?
C2A F1B C4A 128.1(6) . . ?
C3A F1B C4A 52.3(2) . . ?
C1A F1B C4A 132.5(5) . . ?
C2B F1B C4A 84.7(4) . . ?
C2A F1B C6A 123.9(6) . . ?
C3A F1B C6A 133.7(5) . . ?
C1A F1B C6A 50.7(2) . . ?
C2B F1B C6A 6.9(6) . . ?
C4A F1B C6A 86.0(3) . . ?
C5A F2B F4A 71.6(5) . . ?
C5A F2B C4A 71.3(4) . . ?
F4A F2B C4A 142.9(5) . . ?
C5A F2B C3B 20.3(4) . . ?
F4A F2B C3B 51.3(4) . . ?
C4A F2B C3B 91.7(4) . . ?
C5A F2B F3A 126.6(6) . . ?
F4A F2B F3A 159.8(6) . . ?
C4A F2B F3A 55.7(4) . . ?
C3B F2B F3A 146.8(6) . . ?
C4B F3B F4A 52.6(4) . . ?
C6A C1B F5A 63.8(4) . . ?
C6A C1B C6B 102.2(3) . . ?
F5A C1B C6B 39.3(3) . . ?
C6A C1B C2B 20.7(4) . . ?
F5A C1B C2B 83.4(3) . . ?
C6B C1B C2B 120 . . ?
C6A C1B C1A 63.2(3) . . ?
F5A C1B C1A 121.5(5) . . ?
C6B C1B C1A 158.4(5) . . ?
C2B C1B C1A 50.1(4) . . ?
C6A C1B Au2 132.1(5) . . ?
F5A C1B Au2 145.3(5) . . ?
C6B C1B Au2 119.5(3) . . ?
C2B C1B Au2 119.2(3) . . ?
C1A C1B Au2 69.8(2) . . ?
F5A C6B F5B 158.8(8) . . ?
F5A C6B C1B 62.9(4) . . ?
F5B C6B C1B 122.6(4) . . ?
F5A C6B C5B 61.5(4) . . ?
F5B C6B C5B 117.4(4) . . ?
C1B C6B C5B 120 . . ?
F5A C6B C6A 28.9(5) . . ?
F5B C6B C6A 156.7(4) . . ?
C1B C6B C6A 35.5(2) . . ?
C5B C6B C6A 85.1(2) . . ?
F5A C5B F4B 152.6(6) . . ?
F5A C5B C4B 83.3(3) . . ?
F4B C5B C4B 119.8(4) . . ?
F5A C5B C6B 39.5(3) . . ?
F4B C5B C6B 120.2(4) . . ?
C4B C5B C6B 120 . . ?
F4A C4B F3B 71.9(4) . . ?
F4A C4B C5B 166.7(4) . . ?
F3B C4B C5B 120.1(5) . . ?
F4A C4B C3B 48.2(4) . . ?
F3B C4B C3B 119.9(5) . . ?
C5B C4B C3B 120 . . ?
F4A C4B F5A 124.6(4) . . ?
F3B C4B F5A 161.0(6) . . ?
C5B C4B F5A 44.8(2) . . ?
C3B C4B F5A 76.5(2) . . ?
F4A C4B C5A 45.5(3) . . ?
F3B C4B C5A 117.1(5) . . ?
C5B C4B C5A 122.7(3) . . ?
C3B C4B C5A 2.8(3) . . ?
F5A C4B C5A 79.2(3) . . ?
F4A C3B C6A 161.5(6) . . ?
F4A C3B F2B 58.0(4) . . ?
C6A C3B F2B 139.9(6) . . ?
F4A C3B C4B 60.6(5) . . ?
C6A C3B C4B 101.2(2) . . ?
F2B C3B C4B 118.5(5) . . ?
F4A C3B C2B 173.4(7) . . ?
C6A C3B C2B 21.2(4) . . ?
F2B C3B C2B 121.3(5) . . ?
C4B C3B C2B 120 . . ?
F4A C3B C4A 101.2(4) . . ?
C6A C3B C4A 97.0(4) . . ?
F2B C3B C4A 43.3(3) . . ?
C4B C3B C4A 161.8(3) . . ?
C2B C3B C4A 78.1(3) . . ?
C6A C2B C1A 102.1(14) . . ?
C6A C2B C5A 88.3(11) . . ?
C1A C2B C5A 147.9(9) . . ?
C6A C2B F1B 154.6(19) . . ?
C1A C2B F1B 61.3(4) . . ?
C5A C2B F1B 97.1(5) . . ?
C6A C2B C3B 70.0(10) . . ?
C1A C2B C3B 158.0(6) . . ?
C5A C2B C3B 20.4(3) . . ?
F1B C2B C3B 117.6(5) . . ?
C6A C2B C1B 57.5(10) . . ?
C1A C2B C1B 66.6(4) . . ?
C5A C2B C1B 140.4(3) . . ?
F1B C2B C1B 122.4(5) . . ?
C3B C2B C1B 120 . . ?
C6A C2B F5A 18.7(13) . . ?
C1A C2B F5A 103.4(5) . . ?
C5A C2B F5A 96.2(4) . . ?
F1B C2B F5A 164.6(6) . . ?
C3B C2B F5A 75.9(2) . . ?
C1B C2B F5A 45.3(2) . . ?
C6A C2B C2A 136.8(17) . . ?
C1A C2B C2A 42.34(19) . . ?
C5A C2B C2A 111.6(4) . . ?
F1B C2B C2A 20.1(3) . . ?
C3B C2B C2A 131.3(3) . . ?
C1B C2B C2A 107.3(3) . . ?
F5A C2B C2A 144.6(5) . . ?
C31 O1 C33 97.5(10) . . ?
C32 C31 O1 112.8(10) . . ?
C31 C32 C32 106.6(8) . 2_556 ?
C32 C33 O1 99.2(10) 2_556 . ?
C37 O2 C35 97.4(11) . . ?
C36 C35 O2 100.1(10) . . ?
C36 C36 C35 113.8(7) 2_566 . ?
C36 C37 O2 112.7(10) 2_566 . ?



# END of CIF
