# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_EuAg
_database_code_depnum_ccdc_archive 'CCDC 2454863'
loop_
_audit_author_name
_audit_author_address
'Aleksander Hoffman'
;Jagiellonian University
Poland
;
_audit_update_record             
;
2025-05-28 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;

_audit_creation_date             2024-01-19T17:46:40-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

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

_chemical_formula_moiety         '2(C77 H66 Ag Eu N2 O6 P6), 4(C F3 O3 S), C O'
_chemical_formula_sum            'C159 H132 Ag2 Eu2 F12 N4 O25 P12 S4'
_chemical_formula_weight         3746.25

#----------------------------------------------------------------------------#
#                   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                   11.112(3)
_cell_length_b                   14.682(4)
_cell_length_c                   25.121(6)
_cell_angle_alpha                85.939(7)
_cell_angle_beta                 87.260(7)
_cell_angle_gamma                83.100(7)
_cell_volume                     4055.0(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    50687
_cell_measurement_theta_min      1.848
_cell_measurement_theta_max      25.026
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.237
_exptl_crystal_size_min          0.136
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1886

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

_exptl_absorpt_coefficient_mu    1.252
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6614
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

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

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  D8Venture
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_unetI/netI     0.0617
_diffrn_reflns_number            50687
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.848
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_full        25.026
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_reflns_Friedel_coverage         0
_reflns_number_total             14129
_reflns_number_gt                11630
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

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

_atom_sites_solution_hydrogens   geom

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0643P)²+0.9651P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14129
_refine_ls_number_parameters     1000
_refine_ls_number_restraints     14
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_ref         0.1217
_refine_ls_wR_factor_gt          0.1151
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.182
_refine_diff_density_min         -1.811
_refine_diff_density_rms         0.123

#----------------------------------------------------------------------------#
#                   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'
Eu Eu -0.1578 3.6682 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
Eu1 Eu 0.37440(2) 0.60222(2) 0.23281(2) 0.01252(8) Uani 1 1 d . . . . .
Ag1 Ag 0.88813(3) 0.55079(2) 0.20596(2) 0.02383(11) Uani 1 1 d . . . . .
P1 P 0.39351(11) 0.41811(8) 0.14125(5) 0.0147(3) Uani 1 1 d . . . . .
P6 P 0.17131(11) 0.72440(8) 0.32792(5) 0.0151(3) Uani 1 1 d . . . . .
P5 P 0.41248(11) 0.64992(8) 0.37154(5) 0.0156(3) Uani 1 1 d . . . . .
P4 P 0.33620(11) 0.78300(8) 0.12476(5) 0.0168(3) Uani 1 1 d . . . . .
P3 P 0.44993(11) 0.84441(8) 0.21978(5) 0.0164(3) Uani 1 1 d . . . . .
P2 P 0.33951(11) 0.35753(8) 0.25573(5) 0.0156(3) Uani 1 1 d . . . . .
S1 S 0.20813(12) 0.12888(8) 0.13039(5) 0.0235(3) Uani 1 1 d . . . . .
S2 S 0.24649(18) 0.89848(13) 0.51963(7) 0.0577(5) Uani 1 1 d . . . . .
O1 O 0.4343(3) 0.4986(2) 0.16543(12) 0.0155(7) Uani 1 1 d . . . . .
O5 O 0.4253(3) 0.5977(2) 0.32207(12) 0.0163(7) Uani 1 1 d . . . . .
F3 F 0.0802(3) 0.0044(2) 0.17757(13) 0.0363(8) Uani 1 1 d . . . . .
O2 O 0.3415(3) 0.4541(2) 0.27179(12) 0.0177(7) Uani 1 1 d . . . . .
O3 O 0.4597(3) 0.7458(2) 0.23983(12) 0.0175(7) Uani 1 1 d . . . . .
O6 O 0.2127(3) 0.6967(2) 0.27287(12) 0.0159(7) Uani 1 1 d . . . . .
O4 O 0.3380(3) 0.6900(2) 0.15256(12) 0.0196(7) Uani 1 1 d . . . . .
F1 F 0.0025(3) 0.1438(2) 0.18559(15) 0.0516(10) Uani 1 1 d . . . . .
F2 F -0.0056(3) 0.0826(2) 0.11196(14) 0.0465(9) Uani 1 1 d . . . . .
O2S O 0.2713(4) 0.1285(3) 0.17890(14) 0.0375(10) Uani 1 1 d . . . . .
O1S O 0.2605(4) 0.0614(2) 0.09472(15) 0.0372(10) Uani 1 1 d . . . . .
O3S O 0.1717(4) 0.2174(2) 0.10527(15) 0.0378(10) Uani 1 1 d . . . . .
N2 N 1.1721(4) 0.5619(3) 0.19843(15) 0.0196(9) Uani 1 1 d . . . . .
N1 N 0.6026(4) 0.5638(3) 0.22746(16) 0.0199(9) Uani 1 1 d . . . . .
C2N C 1.0709(4) 0.5551(3) 0.19677(19) 0.0210(11) Uani 1 1 d . . . . .
C27 C 0.5890(4) 0.8720(3) 0.18720(17) 0.0190(10) Uani 1 1 d . . . . .
C51 C 0.2957(4) 0.7472(3) 0.36640(18) 0.0171(10) Uani 1 1 d . . . . .
H51A H 0.264713 0.762373 0.402703 0.02 Uiso 1 1 calc R U . . .
H51B H 0.331456 0.80119 0.349463 0.02 Uiso 1 1 calc R U . . .
C64 C 0.0976(4) 0.6369(3) 0.36466(18) 0.0174(10) Uani 1 1 d . . . . .
C15 C 0.5804(5) 0.3372(3) 0.27779(19) 0.0235(11) Uani 1 1 d . . . . .
H15 H 0.565233 0.398664 0.288083 0.028 Uiso 1 1 calc R U . . .
C13 C 0.2023(4) 0.4228(3) 0.07075(19) 0.0201(10) Uani 1 1 d . . . . .
H13 H 0.167585 0.37876 0.094376 0.024 Uiso 1 1 calc R U . . .
C63 C 0.6510(4) 0.6693(3) 0.35254(18) 0.0196(10) Uani 1 1 d . . . . .
H63 H 0.647963 0.625848 0.326487 0.024 Uiso 1 1 calc R U . . .
C1N C 0.7053(5) 0.5549(3) 0.2192(2) 0.0233(11) Uani 1 1 d . . . . .
C8 C 0.3108(4) 0.4535(3) 0.08215(17) 0.0169(10) Uani 1 1 d . . . . .
C14 C 0.4852(4) 0.2928(3) 0.26134(18) 0.0180(10) Uani 1 1 d . . . . .
O6S O 0.2759(4) 0.8488(3) 0.47355(17) 0.0574(13) Uani 1 1 d . . . . .
C52 C 0.3726(4) 0.5757(3) 0.42761(18) 0.0179(10) Uani 1 1 d . . . . .
C58 C 0.5486(4) 0.6979(3) 0.38289(18) 0.0175(10) Uani 1 1 d . . . . .
C12 C 0.1446(5) 0.4573(3) 0.02422(19) 0.0255(12) Uani 1 1 d . . . . .
H12 H 0.070178 0.436555 0.016166 0.031 Uiso 1 1 calc R U . . .
C70 C 0.0656(4) 0.8262(3) 0.32536(17) 0.0172(10) Uani 1 1 d . . . . .
C33 C 0.4187(4) 0.9211(3) 0.27198(18) 0.0174(10) Uani 1 1 d . . . . .
C38 C 0.3084(5) 0.9756(3) 0.27912(19) 0.0245(11) Uani 1 1 d . . . . .
H38 H 0.247241 0.977087 0.253803 0.029 Uiso 1 1 calc R U . . .
C26 C 0.3309(4) 0.8697(3) 0.17270(18) 0.0181(10) Uani 1 1 d . . . . .
H26A H 0.251245 0.873907 0.192352 0.022 Uiso 1 1 calc R U . . .
H26B H 0.338617 0.930063 0.153504 0.022 Uiso 1 1 calc R U . . .
C71 C -0.0120(5) 0.8403(3) 0.2825(2) 0.0263(12) Uani 1 1 d . . . . .
H71 H -0.001677 0.799704 0.254371 0.032 Uiso 1 1 calc R U . . .
C39 C 0.4699(4) 0.7917(3) 0.08274(18) 0.0210(11) Uani 1 1 d . . . . .
C53 C 0.3538(4) 0.4859(3) 0.41878(19) 0.0223(11) Uani 1 1 d . . . . .
H53 H 0.361118 0.465467 0.383607 0.027 Uiso 1 1 calc R U . . .
C1 C 0.2985(4) 0.3546(3) 0.18677(17) 0.0158(10) Uani 1 1 d . . . . .
H1A H 0.305943 0.289898 0.177095 0.019 Uiso 1 1 calc R U . . .
H1B H 0.212809 0.380958 0.183154 0.019 Uiso 1 1 calc R U . . .
C69 C 0.0847(4) 0.5554(3) 0.34025(19) 0.0217(11) Uani 1 1 d . . . . .
H69 H 0.117511 0.546531 0.305124 0.026 Uiso 1 1 calc R U . . .
C65 C 0.0486(4) 0.6482(3) 0.41625(19) 0.0221(11) Uani 1 1 d . . . . .
H65 H 0.056854 0.702689 0.43329 0.026 Uiso 1 1 calc R U . . .
C40 C 0.5438(5) 0.7104(4) 0.0751(2) 0.0285(12) Uani 1 1 d . . . . .
H40 H 0.525149 0.654496 0.093207 0.034 Uiso 1 1 calc R U . . .
C75 C 0.0529(5) 0.8873(3) 0.3655(2) 0.0241(11) Uani 1 1 d . . . . .
H75 H 0.106949 0.879341 0.394084 0.029 Uiso 1 1 calc R U . . .
C59 C 0.5536(4) 0.7613(3) 0.42117(18) 0.0201(10) Uani 1 1 d . . . . .
H59 H 0.482985 0.78053 0.442208 0.024 Uiso 1 1 calc R U . . .
C20 C 0.2331(4) 0.2988(3) 0.29666(18) 0.0171(10) Uani 1 1 d . . . . .
C28 C 0.6056(5) 0.9610(3) 0.1679(2) 0.0259(12) Uani 1 1 d . . . . .
H28 H 0.541786 1.009581 0.17187 0.031 Uiso 1 1 calc R U . . .
C7 C 0.6369(4) 0.3559(3) 0.13833(18) 0.0207(11) Uani 1 1 d . . . . .
H7 H 0.644565 0.404618 0.160411 0.025 Uiso 1 1 calc R U . . .
C6 C 0.7375(5) 0.2989(3) 0.12245(19) 0.0250(11) Uani 1 1 d . . . . .
H6 H 0.815038 0.307498 0.134217 0.03 Uiso 1 1 calc R U . . .
C45 C 0.2070(4) 0.8049(3) 0.08337(19) 0.0215(11) Uani 1 1 d . . . . .
C21 C 0.1253(5) 0.2748(3) 0.2774(2) 0.0260(11) Uani 1 1 d . . . . .
H21 H 0.108792 0.285135 0.24057 0.031 Uiso 1 1 calc R U . . .
C19 C 0.5064(5) 0.2017(3) 0.24846(19) 0.0220(11) Uani 1 1 d . . . . .
H19 H 0.441592 0.170548 0.238624 0.026 Uiso 1 1 calc R U . . .
C30 C 0.8076(5) 0.9081(4) 0.1366(2) 0.0323(13) Uani 1 1 d . . . . .
H30 H 0.882269 0.920312 0.11918 0.039 Uiso 1 1 calc R U . . .
C32 C 0.6835(5) 0.8014(3) 0.18137(19) 0.0243(11) Uani 1 1 d . . . . .
H32 H 0.673634 0.740629 0.195045 0.029 Uiso 1 1 calc R U . . .
F4 F 0.3403(5) 0.8778(4) 0.61291(16) 0.1028(19) Uani 1 1 d . . . . .
C9 C 0.3613(5) 0.5175(3) 0.04649(19) 0.0247(11) Uani 1 1 d . . . . .
H9 H 0.436713 0.537355 0.053775 0.03 Uiso 1 1 calc R U . . .
C55 C 0.3139(4) 0.4552(3) 0.51261(19) 0.0257(11) Uani 1 1 d . . . . .
H55 H 0.29429 0.414012 0.541758 0.031 Uiso 1 1 calc R U . . .
C62 C 0.7596(5) 0.7051(3) 0.3606(2) 0.0253(11) Uani 1 1 d . . . . .
H62 H 0.830709 0.68612 0.339814 0.03 Uiso 1 1 calc R U . . .
C68 C 0.0239(5) 0.4878(3) 0.3676(2) 0.0253(11) Uani 1 1 d . . . . .
H68 H 0.01563 0.432744 0.35114 0.03 Uiso 1 1 calc R U . . .
C50 C 0.1300(5) 0.7362(4) 0.0847(2) 0.0287(12) Uani 1 1 d . . . . .
H50 H 0.143081 0.683423 0.108758 0.034 Uiso 1 1 calc R U . . .
C16 C 0.6956(5) 0.2917(3) 0.2790(2) 0.0304(12) Uani 1 1 d . . . . .
H16 H 0.760613 0.321726 0.289869 0.036 Uiso 1 1 calc R U . . .
C5 C 0.7266(5) 0.2288(3) 0.0894(2) 0.0290(13) Uani 1 1 d . . . . .
H5 H 0.796935 0.190863 0.077779 0.035 Uiso 1 1 calc R U . . .
C37 C 0.2880(5) 1.0278(3) 0.3233(2) 0.0295(12) Uani 1 1 d . . . . .
H37 H 0.212899 1.065288 0.328051 0.035 Uiso 1 1 calc R U . . .
C54 C 0.3242(5) 0.4263(3) 0.4618(2) 0.0284(12) Uani 1 1 d . . . . .
H54 H 0.311169 0.365169 0.455795 0.034 Uiso 1 1 calc R U . . .
C31 C 0.7923(5) 0.8200(4) 0.1555(2) 0.0303(12) Uani 1 1 d . . . . .
H31 H 0.856088 0.771647 0.150852 0.036 Uiso 1 1 calc R U . . .
C60 C 0.6615(5) 0.7963(3) 0.4286(2) 0.0241(11) Uani 1 1 d . . . . .
H60 H 0.664829 0.840048 0.454456 0.029 Uiso 1 1 calc R U . . .
C67 C -0.0242(5) 0.5004(3) 0.4183(2) 0.0276(12) Uani 1 1 d . . . . .
H67 H -0.065903 0.454105 0.436798 0.033 Uiso 1 1 calc R U . . .
C61 C 0.7635(5) 0.7677(3) 0.3986(2) 0.0251(11) Uani 1 1 d . . . . .
H61 H 0.837539 0.79128 0.404081 0.03 Uiso 1 1 calc R U . . .
C2 C 0.5227(4) 0.3410(3) 0.12142(18) 0.0188(10) Uani 1 1 d . . . . .
C24 C 0.1697(5) 0.2441(4) 0.3857(2) 0.0325(13) Uani 1 1 d . . . . .
H24 H 0.184705 0.23374 0.422636 0.039 Uiso 1 1 calc R U . . .
C11 C 0.1943(5) 0.5213(3) -0.0102(2) 0.0269(12) Uani 1 1 d . . . . .
H11 H 0.15396 0.544479 -0.041724 0.032 Uiso 1 1 calc R U . . .
C10 C 0.3028(5) 0.5519(4) 0.0010(2) 0.0289(12) Uani 1 1 d . . . . .
H10 H 0.336785 0.596339 -0.022623 0.035 Uiso 1 1 calc R U . . .
C34 C 0.5081(5) 0.9212(3) 0.3095(2) 0.0271(12) Uani 1 1 d . . . . .
H34 H 0.584559 0.88555 0.304691 0.033 Uiso 1 1 calc R U . . .
C49 C 0.0345(5) 0.7458(4) 0.0505(2) 0.0381(14) Uani 1 1 d . . . . .
H49 H -0.018587 0.699558 0.051051 0.046 Uiso 1 1 calc R U . . .
C22 C 0.0432(5) 0.2359(3) 0.3127(2) 0.0315(13) Uani 1 1 d . . . . .
H22 H -0.02911 0.218736 0.299722 0.038 Uiso 1 1 calc R U . . .
O5S O 0.1305(5) 0.8855(4) 0.5449(2) 0.085(2) Uani 1 1 d . . . . .
C29 C 0.7155(5) 0.9791(4) 0.1428(2) 0.0310(13) Uani 1 1 d . . . . .
H29 H 0.727053 1.040012 0.129936 0.037 Uiso 1 1 calc R U . . .
C57 C 0.3601(5) 0.6051(3) 0.47951(19) 0.0247(11) Uani 1 1 d . . . . .
H57 H 0.370939 0.666591 0.48583 0.03 Uiso 1 1 calc R U . . .
C66 C -0.0117(5) 0.5808(4) 0.44255(19) 0.0274(12) Uani 1 1 d . . . . .
H66 H -0.045208 0.589228 0.477607 0.033 Uiso 1 1 calc R U . . .
C47 C 0.0922(5) 0.8901(4) 0.0147(2) 0.0302(13) Uani 1 1 d . . . . .
H47 H 0.078803 0.942795 -0.009409 0.036 Uiso 1 1 calc R U . . .
C46 C 0.1874(5) 0.8819(3) 0.04833(19) 0.0250(11) Uani 1 1 d . . . . .
H46 H 0.239461 0.928748 0.047552 0.03 Uiso 1 1 calc R U . . .
C23 C 0.0647(5) 0.2218(3) 0.3664(2) 0.0329(13) Uani 1 1 d . . . . .
H23 H 0.006414 0.196442 0.39009 0.039 Uiso 1 1 calc R U . . .
C56 C 0.3319(5) 0.5446(4) 0.5215(2) 0.0298(12) Uani 1 1 d . . . . .
H56 H 0.324858 0.564371 0.556858 0.036 Uiso 1 1 calc R U . . .
C4 C 0.6144(5) 0.2141(3) 0.0733(2) 0.0277(12) Uani 1 1 d . . . . .
H4 H 0.607771 0.165075 0.051267 0.033 Uiso 1 1 calc R U . . .
C18 C 0.6224(5) 0.1573(3) 0.2501(2) 0.0299(12) Uani 1 1 d . . . . .
H18 H 0.637595 0.094957 0.241274 0.036 Uiso 1 1 calc R U . . .
C74 C -0.0399(5) 0.9607(3) 0.3636(2) 0.0317(13) Uani 1 1 d . . . . .
H74 H -0.050317 1.001756 0.391526 0.038 Uiso 1 1 calc R U . . .
C72 C -0.1029(5) 0.9123(4) 0.2809(2) 0.0330(13) Uani 1 1 d . . . . .
H72 H -0.15677 0.920633 0.252221 0.04 Uiso 1 1 calc R U . . .
C25 C 0.2556(5) 0.2826(3) 0.3506(2) 0.0277(12) Uani 1 1 d . . . . .
H25 H 0.328952 0.297474 0.363827 0.033 Uiso 1 1 calc R U . . .
C17 C 0.7168(5) 0.2021(4) 0.2645(2) 0.0311(13) Uani 1 1 d . . . . .
H17 H 0.796924 0.171091 0.264381 0.037 Uiso 1 1 calc R U . . .
C44 C 0.4996(5) 0.8739(4) 0.0577(2) 0.0310(13) Uani 1 1 d . . . . .
H44 H 0.450193 0.929941 0.063859 0.037 Uiso 1 1 calc R U . . .
C3 C 0.5114(5) 0.2695(3) 0.08867(18) 0.0227(11) Uani 1 1 d . . . . .
H3 H 0.434139 0.259253 0.077254 0.027 Uiso 1 1 calc R U . . .
C1F C 0.0641(5) 0.0877(3) 0.1530(2) 0.0255(11) Uani 1 1 d . . . . .
C73 C -0.1160(5) 0.9736(4) 0.3217(2) 0.0363(14) Uani 1 1 d . . . . .
H73 H -0.177762 1.024282 0.320202 0.044 Uiso 1 1 calc R U . . .
C41 C 0.6454(5) 0.7114(5) 0.0408(2) 0.0452(17) Uani 1 1 d . . . . .
H41 H 0.695583 0.655752 0.034718 0.054 Uiso 1 1 calc R U . . .
C36 C 0.3760(6) 1.0258(3) 0.3604(2) 0.0341(14) Uani 1 1 d . . . . .
H36 H 0.360965 1.06095 0.390846 0.041 Uiso 1 1 calc R U . . .
C35 C 0.4855(5) 0.9727(3) 0.3533(2) 0.0331(13) Uani 1 1 d . . . . .
H35 H 0.546047 0.971649 0.378906 0.04 Uiso 1 1 calc R U . . .
C42 C 0.6737(6) 0.7927(5) 0.0156(2) 0.0448(17) Uani 1 1 d . . . . .
H42 H 0.743586 0.79329 -0.007738 0.054 Uiso 1 1 calc R U . . .
C43 C 0.6003(6) 0.8738(5) 0.0242(2) 0.0446(17) Uani 1 1 d . . . . .
H43 H 0.620021 0.929852 0.006673 0.053 Uiso 1 1 calc R U . . .
C48 C 0.0166(5) 0.8231(4) 0.0156(2) 0.0388(15) Uani 1 1 d . . . . .
H48 H -0.048837 0.829639 -0.007901 0.047 Uiso 1 1 calc R U . . .
F6 F 0.3454(9) 0.7541(4) 0.5744(2) 0.166(4) Uani 1 1 d . . . . .
F5 F 0.4679(6) 0.8516(6) 0.5487(2) 0.142(3) Uani 1 1 d . . . . .
O4S O 0.2720(6) 0.9931(4) 0.5175(3) 0.100(2) Uani 1 1 d . . . . .
C2F C 0.3466(11) 0.8435(8) 0.5660(4) 0.096(3) Uani 1 1 d . . . . .
O1M O 0.0853(6) 0.1523(4) 0.5071(2) 0.0194(13) Uani 0.5 1 d D U P . .
C1M C -0.0163(9) 0.2065(8) 0.4904(5) 0.052(2) Uani 0.5 1 d D 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
Eu1 O5 2.333(3) . ?
Eu1 O4 2.340(3) . ?
Eu1 O6 2.365(3) . ?
Eu1 O1 2.374(3) . ?
Eu1 O2 2.383(3) . ?
Eu1 O3 2.434(3) . ?
Eu1 N1 2.530(4) . ?
Eu1 N2 2.593(4) 1_455 ?
Ag1 C1N 2.038(5) . ?
Ag1 C2N 2.041(5) . ?
P1 O1 1.492(3) . ?
P1 C2 1.792(5) . ?
P1 C8 1.796(5) . ?
P1 C1 1.806(5) . ?
P6 O6 1.504(3) . ?
P6 C64 1.785(5) . ?
P6 C70 1.785(4) . ?
P6 C51 1.800(5) . ?
P5 O5 1.498(3) . ?
P5 C58 1.787(5) . ?
P5 C52 1.791(5) . ?
P5 C51 1.812(4) . ?
P4 O4 1.487(3) . ?
P4 C39 1.793(5) . ?
P4 C45 1.797(5) . ?
P4 C26 1.807(4) . ?
P3 O3 1.492(3) . ?
P3 C33 1.783(4) . ?
P3 C27 1.790(5) . ?
P3 C26 1.804(5) . ?
P2 O2 1.504(3) . ?
P2 C14 1.782(5) . ?
P2 C20 1.789(5) . ?
P2 C1 1.817(4) . ?
S1 O3S 1.426(4) . ?
S1 O2S 1.434(4) . ?
S1 O1S 1.435(4) . ?
S1 C1F 1.830(5) . ?
S2 O6S 1.416(4) . ?
S2 O5S 1.437(5) . ?
S2 O4S 1.448(6) . ?
S2 C2F 1.738(12) . ?
F3 C1F 1.325(6) . ?
F1 C1F 1.313(6) . ?
F2 C1F 1.331(6) . ?
N2 C2N 1.144(6) . ?
N1 C1N 1.143(6) . ?
C27 C32 1.394(7) . ?
C27 C28 1.392(7) . ?
C64 C65 1.395(6) . ?
C64 C69 1.408(6) . ?
C15 C16 1.372(7) . ?
C15 C14 1.400(7) . ?
C13 C8 1.386(7) . ?
C13 C12 1.394(7) . ?
C63 C58 1.379(6) . ?
C63 C62 1.402(7) . ?
C8 C9 1.399(7) . ?
C14 C19 1.388(6) . ?
C52 C53 1.393(6) . ?
C52 C57 1.398(6) . ?
C58 C59 1.392(6) . ?
C12 C11 1.378(7) . ?
C70 C75 1.388(6) . ?
C70 C71 1.400(7) . ?
C33 C38 1.392(7) . ?
C33 C34 1.402(7) . ?
C38 C37 1.388(7) . ?
C71 C72 1.371(7) . ?
C39 C40 1.385(7) . ?
C39 C44 1.388(7) . ?
C53 C54 1.394(7) . ?
C69 C68 1.389(7) . ?
C65 C66 1.374(7) . ?
C40 C41 1.389(8) . ?
C75 C74 1.400(7) . ?
C59 C60 1.386(7) . ?
C20 C25 1.387(7) . ?
C20 C21 1.405(7) . ?
C28 C29 1.393(7) . ?
C7 C6 1.374(6) . ?
C7 C2 1.404(7) . ?
C6 C5 1.387(7) . ?
C45 C46 1.385(7) . ?
C45 C50 1.396(7) . ?
C21 C22 1.386(7) . ?
C19 C18 1.373(7) . ?
C30 C31 1.372(7) . ?
C30 C29 1.383(8) . ?
C32 C31 1.393(7) . ?
F4 C2F 1.309(8) . ?
C9 C10 1.377(7) . ?
C55 C54 1.369(7) . ?
C55 C56 1.387(7) . ?
C62 C61 1.377(7) . ?
C68 C67 1.374(7) . ?
C50 C49 1.385(7) . ?
C16 C17 1.380(7) . ?
C5 C4 1.374(7) . ?
C37 C36 1.379(8) . ?
C60 C61 1.370(7) . ?
C67 C66 1.390(7) . ?
C2 C3 1.399(6) . ?
C24 C23 1.368(8) . ?
C24 C25 1.409(7) . ?
C11 C10 1.384(7) . ?
C34 C35 1.376(7) . ?
C49 C48 1.385(8) . ?
C22 C23 1.376(8) . ?
C57 C56 1.380(7) . ?
C47 C48 1.366(8) . ?
C47 C46 1.374(7) . ?
C4 C3 1.378(7) . ?
C18 C17 1.378(7) . ?
C74 C73 1.371(8) . ?
C72 C73 1.402(7) . ?
C44 C43 1.368(8) . ?
C41 C42 1.374(9) . ?
C36 C35 1.375(8) . ?
C42 C43 1.384(9) . ?
F6 C2F 1.317(11) . ?
F5 C2F 1.412(11) . ?
O1M C1M 1.365(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Eu1 O4 147.98(10) . . ?
O5 Eu1 O6 76.31(10) . . ?
O4 Eu1 O6 88.05(10) . . ?
O5 Eu1 O1 131.00(10) . . ?
O4 Eu1 O1 75.50(10) . . ?
O6 Eu1 O1 146.24(10) . . ?
O5 Eu1 O2 73.00(10) . . ?
O4 Eu1 O2 138.32(10) . . ?
O6 Eu1 O2 101.55(11) . . ?
O1 Eu1 O2 74.44(10) . . ?
O5 Eu1 O3 76.06(10) . . ?
O4 Eu1 O3 73.24(10) . . ?
O6 Eu1 O3 76.94(10) . . ?
O1 Eu1 O3 123.90(10) . . ?
O2 Eu1 O3 148.39(10) . . ?
O5 Eu1 N1 77.36(12) . . ?
O4 Eu1 N1 102.05(12) . . ?
O6 Eu1 N1 144.17(11) . . ?
O1 Eu1 N1 69.15(11) . . ?
O2 Eu1 N1 93.47(12) . . ?
O3 Eu1 N1 73.43(11) . . ?
O5 Eu1 N2 125.88(11) . 1_455 ?
O4 Eu1 N2 72.66(12) . 1_455 ?
O6 Eu1 N2 71.54(11) . 1_455 ?
O1 Eu1 N2 75.44(11) . 1_455 ?
O2 Eu1 N2 72.32(11) . 1_455 ?
O3 Eu1 N2 133.70(11) . 1_455 ?
N1 Eu1 N2 144.29(11) . 1_455 ?
C1N Ag1 C2N 175.30(18) . . ?
O1 P1 C2 109.8(2) . . ?
O1 P1 C8 111.15(19) . . ?
C2 P1 C8 106.8(2) . . ?
O1 P1 C1 112.62(19) . . ?
C2 P1 C1 108.0(2) . . ?
C8 P1 C1 108.2(2) . . ?
O6 P6 C64 111.6(2) . . ?
O6 P6 C70 111.55(19) . . ?
C64 P6 C70 107.0(2) . . ?
O6 P6 C51 112.1(2) . . ?
C64 P6 C51 107.3(2) . . ?
C70 P6 C51 107.1(2) . . ?
O5 P5 C58 111.3(2) . . ?
O5 P5 C52 109.62(19) . . ?
C58 P5 C52 110.6(2) . . ?
O5 P5 C51 112.03(19) . . ?
C58 P5 C51 105.2(2) . . ?
C52 P5 C51 108.0(2) . . ?
O4 P4 C39 111.3(2) . . ?
O4 P4 C45 109.4(2) . . ?
C39 P4 C45 108.0(2) . . ?
O4 P4 C26 110.5(2) . . ?
C39 P4 C26 107.3(2) . . ?
C45 P4 C26 110.3(2) . . ?
O3 P3 C33 112.74(19) . . ?
O3 P3 C27 111.1(2) . . ?
C33 P3 C27 106.0(2) . . ?
O3 P3 C26 110.5(2) . . ?
C33 P3 C26 108.0(2) . . ?
C27 P3 C26 108.3(2) . . ?
O2 P2 C14 111.0(2) . . ?
O2 P2 C20 111.36(19) . . ?
C14 P2 C20 108.1(2) . . ?
O2 P2 C1 112.23(19) . . ?
C14 P2 C1 106.5(2) . . ?
C20 P2 C1 107.4(2) . . ?
O3S S1 O2S 115.6(2) . . ?
O3S S1 O1S 114.7(2) . . ?
O2S S1 O1S 114.2(3) . . ?
O3S S1 C1F 103.3(2) . . ?
O2S S1 C1F 103.3(2) . . ?
O1S S1 C1F 103.4(2) . . ?
O6S S2 O5S 114.6(3) . . ?
O6S S2 O4S 117.8(3) . . ?
O5S S2 O4S 113.0(4) . . ?
O6S S2 C2F 103.2(3) . . ?
O5S S2 C2F 102.3(5) . . ?
O4S S2 C2F 103.3(5) . . ?
P1 O1 Eu1 140.58(19) . . ?
P5 O5 Eu1 144.40(18) . . ?
P2 O2 Eu1 139.72(18) . . ?
P3 O3 Eu1 143.46(18) . . ?
P6 O6 Eu1 137.93(18) . . ?
P4 O4 Eu1 145.35(18) . . ?
C2N N2 Eu1 160.0(3) . 1_655 ?
C1N N1 Eu1 170.7(4) . . ?
N2 C2N Ag1 170.7(4) . . ?
C32 C27 C28 119.4(5) . . ?
C32 C27 P3 118.4(4) . . ?
C28 C27 P3 122.2(4) . . ?
P6 C51 P5 112.2(2) . . ?
C65 C64 C69 118.9(4) . . ?
C65 C64 P6 121.9(4) . . ?
C69 C64 P6 119.2(3) . . ?
C16 C15 C14 119.9(5) . . ?
C8 C13 C12 119.2(5) . . ?
C58 C63 C62 119.1(4) . . ?
N1 C1N Ag1 175.1(4) . . ?
C13 C8 C9 119.5(4) . . ?
C13 C8 P1 124.5(4) . . ?
C9 C8 P1 116.0(4) . . ?
C19 C14 C15 120.0(4) . . ?
C19 C14 P2 121.8(4) . . ?
C15 C14 P2 118.1(3) . . ?
C53 C52 C57 119.5(4) . . ?
C53 C52 P5 118.5(3) . . ?
C57 C52 P5 122.0(4) . . ?
C63 C58 C59 120.2(4) . . ?
C63 C58 P5 117.6(3) . . ?
C59 C58 P5 122.2(4) . . ?
C11 C12 C13 120.7(5) . . ?
C75 C70 C71 119.7(4) . . ?
C75 C70 P6 122.6(4) . . ?
C71 C70 P6 117.5(3) . . ?
C38 C33 C34 119.0(4) . . ?
C38 C33 P3 123.5(4) . . ?
C34 C33 P3 117.4(4) . . ?
C37 C38 C33 119.8(5) . . ?
P4 C26 P3 112.1(2) . . ?
C72 C71 C70 120.4(5) . . ?
C40 C39 C44 120.2(5) . . ?
C40 C39 P4 116.3(4) . . ?
C44 C39 P4 123.4(4) . . ?
C52 C53 C54 119.7(5) . . ?
P1 C1 P2 112.0(2) . . ?
C68 C69 C64 119.9(4) . . ?
C66 C65 C64 120.3(5) . . ?
C39 C40 C41 119.3(6) . . ?
C70 C75 C74 119.7(5) . . ?
C60 C59 C58 120.0(4) . . ?
C25 C20 C21 119.3(5) . . ?
C25 C20 P2 117.5(4) . . ?
C21 C20 P2 123.0(4) . . ?
C29 C28 C27 120.2(5) . . ?
C6 C7 C2 119.0(4) . . ?
C7 C6 C5 120.5(5) . . ?
C46 C45 C50 120.1(5) . . ?
C46 C45 P4 123.0(4) . . ?
C50 C45 P4 116.7(4) . . ?
C22 C21 C20 119.3(5) . . ?
C18 C19 C14 119.2(5) . . ?
C31 C30 C29 120.7(5) . . ?
C27 C32 C31 120.0(5) . . ?
C10 C9 C8 120.8(5) . . ?
C54 C55 C56 119.9(5) . . ?
C61 C62 C63 120.1(4) . . ?
C67 C68 C69 120.3(5) . . ?
C49 C50 C45 119.3(5) . . ?
C15 C16 C17 119.7(5) . . ?
C4 C5 C6 120.2(4) . . ?
C36 C37 C38 120.5(5) . . ?
C55 C54 C53 120.5(5) . . ?
C30 C31 C32 120.1(5) . . ?
C61 C60 C59 119.9(4) . . ?
C68 C67 C66 120.0(5) . . ?
C60 C61 C62 120.7(5) . . ?
C3 C2 C7 120.5(4) . . ?
C3 C2 P1 121.4(4) . . ?
C7 C2 P1 118.1(3) . . ?
C23 C24 C25 119.9(5) . . ?
C12 C11 C10 120.2(5) . . ?
C9 C10 C11 119.6(5) . . ?
C35 C34 C33 120.2(5) . . ?
C48 C49 C50 119.7(6) . . ?
C23 C22 C21 121.2(5) . . ?
C30 C29 C28 119.7(5) . . ?
C56 C57 C52 119.8(5) . . ?
C65 C66 C67 120.6(5) . . ?
C48 C47 C46 120.6(5) . . ?
C47 C46 C45 119.7(5) . . ?
C24 C23 C22 120.2(5) . . ?
C57 C56 C55 120.6(5) . . ?
C5 C4 C3 120.9(5) . . ?
C19 C18 C17 120.7(5) . . ?
C73 C74 C75 120.2(5) . . ?
C71 C72 C73 119.7(5) . . ?
C20 C25 C24 120.1(5) . . ?
C18 C17 C16 120.4(5) . . ?
C43 C44 C39 119.6(6) . . ?
C4 C3 C2 118.8(5) . . ?
F1 C1F F3 108.6(4) . . ?
F1 C1F F2 106.9(4) . . ?
F3 C1F F2 107.1(4) . . ?
F1 C1F S1 111.2(4) . . ?
F3 C1F S1 112.0(3) . . ?
F2 C1F S1 110.9(4) . . ?
C74 C73 C72 120.3(5) . . ?
C42 C41 C40 120.2(6) . . ?
C35 C36 C37 120.0(5) . . ?
C36 C35 C34 120.5(5) . . ?
C41 C42 C43 119.9(6) . . ?
C44 C43 C42 120.6(6) . . ?
C47 C48 C49 120.6(5) . . ?
F4 C2F F6 107.0(9) . . ?
F4 C2F F5 102.4(8) . . ?
F6 C2F F5 103.1(9) . . ?
F4 C2F S2 115.9(8) . . ?
F6 C2F S2 116.1(7) . . ?
F5 C2F S2 110.7(7) . . ?


####################################################################### 
# 
# 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_Yb@EuAg
_database_code_depnum_ccdc_archive 'CCDC 2454867'
loop_
_audit_author_name
_audit_author_address
'Aleksander Hoffman'
;Jagiellonian University
Poland
;
_audit_update_record             
;
2025-05-28 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;

_audit_creation_date             2024-01-20T02:30:16-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

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

_chemical_formula_moiety         
'2(C77 H66 Ag Eu0.96 N2 O6 P6 Yb0.04), 4(C F3 O3 S), C O'
_chemical_formula_sum            'C159 H132 Ag2 Eu1.92 F12 N4 O25 P12 S4 Yb0.08'
_chemical_formula_weight         3747.94

#----------------------------------------------------------------------------#
#                   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                   11.106(3)
_cell_length_b                   14.701(5)
_cell_length_c                   25.114(7)
_cell_angle_alpha                86.195(8)
_cell_angle_beta                 87.427(7)
_cell_angle_gamma                83.222(8)
_cell_volume                     4060(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    35287
_cell_measurement_theta_min      1.991
_cell_measurement_theta_max      25.027
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1886.6

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

_exptl_absorpt_coefficient_mu    1.266
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4625
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'


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

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  D8Venture
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.1146
_diffrn_reflns_av_unetI/netI     0.1627
_diffrn_reflns_number            35287
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.991
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_Friedel_coverage         0
_reflns_number_total             14320
_reflns_number_gt                9246
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

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

_atom_sites_solution_hydrogens   geom

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0784P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14320
_refine_ls_number_parameters     1000
_refine_ls_number_restraints     37
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.118
_refine_ls_R_factor_gt           0.0772
_refine_ls_wR_factor_ref         0.2046
_refine_ls_wR_factor_gt          0.1779
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.03
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.425
_refine_diff_density_min         -2.607
_refine_diff_density_rms         0.182

#----------------------------------------------------------------------------#
#                   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'
Eu Eu -0.1578 3.6682 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.385 5.5486 '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
Yb1 Yb 0.62598(3) 0.39740(3) 0.76741(2) 0.01716(15) Uani 0.04 1 d . . P . .
Eu1 Eu 0.62598(3) 0.39740(3) 0.76741(2) 0.01716(15) Uani 0.96 1 d . . P . .
Ag1 Ag 0.11238(5) 0.44858(6) 0.79473(3) 0.0285(2) Uani 1 1 d . . . . .
P5 P 0.82841(19) 0.27628(19) 0.67173(9) 0.0204(6) Uani 1 1 d . . . . .
P4 P 0.60603(19) 0.58022(18) 0.85976(9) 0.0198(6) Uani 1 1 d . . . . .
P1 P 0.66435(19) 0.21674(19) 0.87465(9) 0.0221(6) Uani 1 1 d . . . . .
P6 P 0.58649(19) 0.35120(18) 0.62864(9) 0.0202(6) Uani 1 1 d . . . . .
P2 P 0.55162(19) 0.15580(18) 0.77926(9) 0.0206(6) Uani 1 1 d . . . . .
S1 S 0.7900(2) 0.87163(19) 0.87025(9) 0.0281(6) Uani 1 1 d . . . . .
P3 P 0.66140(19) 0.64052(18) 0.74585(9) 0.0209(6) Uani 1 1 d . . . . .
O6 O 0.5729(5) 0.4035(4) 0.6784(2) 0.0183(14) Uani 1 1 d . . . . .
F1 F 0.9204(5) 0.9945(4) 0.8231(2) 0.0390(16) Uani 1 1 d . . . . .
O3 O 0.6597(5) 0.5446(5) 0.7296(2) 0.0218(15) Uani 1 1 d . . . . .
O5 O 0.7876(4) 0.3031(5) 0.7272(2) 0.0207(15) Uani 1 1 d . . . . .
O2 O 0.5418(5) 0.2532(5) 0.7589(2) 0.0240(16) Uani 1 1 d . . . . .
O4 O 0.5652(5) 0.5003(5) 0.8350(2) 0.0226(15) Uani 1 1 d . . . . .
O1 O 0.6617(5) 0.3095(5) 0.8467(2) 0.0241(15) Uani 1 1 d . . . . .
F3 F 0.9978(5) 0.8556(5) 0.8158(3) 0.0513(19) Uani 1 1 d . . . . .
F2 F 1.0032(5) 0.9182(5) 0.8898(2) 0.0438(17) Uani 1 1 d . . . . .
O2S O 0.7276(6) 0.8698(5) 0.8215(3) 0.0378(19) Uani 1 1 d . . . . .
O1S O 0.8281(6) 0.7836(5) 0.8954(3) 0.0412(19) Uani 1 1 d . . . . .
N2 N -0.1713(6) 0.4372(6) 0.8019(3) 0.0246(19) Uani 1 1 d . . . . .
O3S O 0.7372(6) 0.9401(5) 0.9054(3) 0.0398(19) Uani 1 1 d . . . . .
C47 C 0.8544(8) 0.5438(7) 0.9770(4) 0.025(2) Uani 1 1 d . . . . .
H47 H 0.928301 0.565228 0.98532 0.03 Uiso 1 1 calc R U . . .
C1N C 0.2955(7) 0.4428(7) 0.7812(3) 0.023(2) Uani 1 1 d . . . . .
N1 N 0.3982(6) 0.4360(6) 0.7731(3) 0.028(2) Uani 1 1 d . . . . .
C51 C 0.7020(7) 0.2542(7) 0.6334(3) 0.023(2) Uani 1 1 d . . . . .
H51A H 0.732067 0.238828 0.597003 0.027 Uiso 1 1 calc R U . . .
H51B H 0.665903 0.200534 0.650355 0.027 Uiso 1 1 calc R U . . .
C46 C 0.7979(8) 0.5771(7) 0.9313(4) 0.024(2) Uani 1 1 d . . . . .
H46 H 0.832773 0.621136 0.907885 0.029 Uiso 1 1 calc R U . . .
C45 C 0.6883(7) 0.5461(7) 0.9190(3) 0.017(2) Uani 1 1 d . . . . .
C70 C 0.4496(7) 0.3035(7) 0.6165(3) 0.019(2) Uani 1 1 d . . . . .
C71 C 0.3462(7) 0.3321(7) 0.6471(3) 0.025(2) Uani 1 1 d . . . . .
H71 H 0.347983 0.376104 0.672959 0.031 Uiso 1 1 calc R U . . .
C14 C 0.4109(7) 0.1273(7) 0.8116(3) 0.021(2) Uani 1 1 d . . . . .
C8 C 0.7955(7) 0.1953(7) 0.9158(3) 0.024(2) Uani 1 1 d . . . . .
C25 C 0.6924(8) 0.0238(7) 0.7204(4) 0.029(2) Uani 1 1 d . . . . .
H25 H 0.753768 0.023722 0.745592 0.034 Uiso 1 1 calc R U . . .
C2N C -0.0708(8) 0.4440(8) 0.8044(3) 0.029(2) Uani 1 1 d . . . . .
C2 C 0.5317(7) 0.2068(7) 0.9170(3) 0.025(2) Uani 1 1 d . . . . .
C48 C 0.8050(8) 0.4788(7) 1.0116(4) 0.027(2) Uani 1 1 d . . . . .
H48 H 0.844844 0.456495 1.043321 0.033 Uiso 1 1 calc R U . . .
C1 C 0.6707(7) 0.1292(7) 0.8260(3) 0.023(2) Uani 1 1 d . . . . .
H1A H 0.750387 0.125194 0.806444 0.027 Uiso 1 1 calc R U . . .
H1B H 0.662679 0.068835 0.844875 0.027 Uiso 1 1 calc R U . . .
C52 C 0.9024(7) 0.3651(7) 0.6360(3) 0.021(2) Uani 1 1 d . U . . .
C20 C 0.5820(8) 0.0774(7) 0.7272(3) 0.025(2) Uani 1 1 d . . . . .
C27 C 0.5160(8) 0.7059(7) 0.7393(3) 0.024(2) Uani 1 1 d . . . . .
C64 C 0.6260(7) 0.4268(7) 0.5729(3) 0.023(2) Uani 1 1 d . . . . .
C39 C 0.4750(8) 0.6591(7) 0.8787(3) 0.024(2) Uani 1 1 d . . . . .
C69 C 0.6433(8) 0.5152(8) 0.5820(4) 0.029(3) Uani 1 1 d . . . . .
H69 H 0.63381 0.535977 0.617124 0.035 Uiso 1 1 calc R U . . .
C40 C 0.3624(7) 0.6425(7) 0.8619(4) 0.027(2) Uani 1 1 d . . . . .
H40 H 0.354355 0.592681 0.84062 0.032 Uiso 1 1 calc R U . . .
C58 C 0.9338(7) 0.1732(7) 0.6735(4) 0.025(2) Uani 1 1 d . . . . .
C32 C 0.4209(8) 0.6612(8) 0.7222(4) 0.030(2) Uani 1 1 d . . . . .
H32 H 0.435644 0.599651 0.712017 0.036 Uiso 1 1 calc R U . . .
C63 C 1.0113(8) 0.1591(8) 0.7165(4) 0.032(3) Uani 1 1 d . . . . .
H63 H 1.001941 0.199507 0.744741 0.038 Uiso 1 1 calc R U . . .
C53 C 0.9158(7) 0.4434(7) 0.6610(4) 0.027(2) Uani 1 1 d . . . . .
H53 H 0.882209 0.451657 0.696091 0.032 Uiso 1 1 calc R U . . .
C49 C 0.6987(8) 0.4472(7) 0.9997(4) 0.028(2) Uani 1 1 d . . . . .
H49 H 0.665414 0.402155 1.022996 0.034 Uiso 1 1 calc R U . . .
C59 C 0.9455(7) 0.1126(7) 0.6335(3) 0.025(2) Uani 1 1 d . . . . .
H59 H 0.890504 0.12058 0.605205 0.03 Uiso 1 1 calc R U . . .
C18 C 0.2079(8) 0.1803(8) 0.8428(4) 0.033(3) Uani 1 1 d . . . . .
H18 H 0.142805 0.227797 0.846546 0.04 Uiso 1 1 calc R U . . .
C50 C 0.6404(8) 0.4805(7) 0.9543(3) 0.028(2) Uani 1 1 d . . . . .
H50 H 0.566256 0.45881 0.94657 0.034 Uiso 1 1 calc R U . . .
C75 C 0.4460(8) 0.2401(7) 0.5796(3) 0.027(2) Uani 1 1 d . . . . .
H75 H 0.51732 0.219822 0.559375 0.032 Uiso 1 1 calc R U . . .
C21 C 0.4941(8) 0.0807(7) 0.6887(4) 0.029(2) Uani 1 1 d . . . . .
H21 H 0.420141 0.119922 0.692008 0.034 Uiso 1 1 calc R U . . .
C67 C 0.6878(8) 0.5442(8) 0.4885(4) 0.032(3) Uani 1 1 d . . . . .
H67 H 0.709979 0.584478 0.459536 0.038 Uiso 1 1 calc R U . . .
C15 C 0.3976(8) 0.0399(7) 0.8310(4) 0.028(2) Uani 1 1 d . . . . .
H15 H 0.461973 -0.00805 0.827155 0.033 Uiso 1 1 calc R U . . .
C33 C 0.7684(8) 0.6992(7) 0.7061(4) 0.028(2) Uani 1 1 d . . . . .
C28 C 0.4955(8) 0.7977(7) 0.7525(3) 0.026(2) Uani 1 1 d . . . . .
H28 H 0.560598 0.828384 0.762861 0.031 Uiso 1 1 calc R U . . .
C19 C 0.3171(8) 0.1989(8) 0.8175(4) 0.029(2) Uani 1 1 d . . . . .
H19 H 0.327967 0.259525 0.804253 0.035 Uiso 1 1 calc R U . . .
C73 C 0.2362(8) 0.2338(8) 0.6011(4) 0.032(3) Uani 1 1 d . . . . .
H73 H 0.161554 0.210972 0.595314 0.038 Uiso 1 1 calc R U . . .
C68 C 0.6752(8) 0.5745(8) 0.5392(4) 0.036(3) Uani 1 1 d . . . . .
H68 H 0.688009 0.635729 0.545158 0.044 Uiso 1 1 calc R U . . .
C72 C 0.2404(8) 0.2944(8) 0.6386(4) 0.031(3) Uani 1 1 d . . . . .
H72 H 0.169408 0.311856 0.659689 0.038 Uiso 1 1 calc R U . . .
C74 C 0.3364(8) 0.2047(7) 0.5715(4) 0.030(2) Uani 1 1 d . . . . .
H74 H 0.332856 0.160917 0.545572 0.036 Uiso 1 1 calc R U . . .
C42 C 0.2725(8) 0.7719(8) 0.9105(4) 0.031(3) Uani 1 1 d . . . . .
H42 H 0.202711 0.811038 0.921316 0.037 Uiso 1 1 calc R U . . .
C13 C 0.8145(8) 0.1183(8) 0.9510(4) 0.033(3) Uani 1 1 d . . . . .
H13 H 0.762675 0.071232 0.951424 0.039 Uiso 1 1 calc R U . . .
C24 C 0.7123(9) -0.0291(8) 0.6770(4) 0.036(3) Uani 1 1 d . . . . .
H24 H 0.787046 -0.067056 0.67272 0.043 Uiso 1 1 calc R U . . .
C41 C 0.2617(8) 0.7020(7) 0.8775(4) 0.028(2) Uani 1 1 d . . . . .
H41 H 0.184104 0.694191 0.86527 0.034 Uiso 1 1 calc R U . . .
C38 C 0.8749(8) 0.7245(7) 0.7264(4) 0.032(3) Uani 1 1 d . . . . .
H38 H 0.888734 0.71604 0.763536 0.039 Uiso 1 1 calc R U . . .
C54 C 0.9793(8) 0.5111(8) 0.6345(4) 0.035(3) Uani 1 1 d . . . . .
H54 H 0.991227 0.564538 0.651965 0.043 Uiso 1 1 calc R U . . .
C57 C 0.9490(8) 0.3544(8) 0.5826(4) 0.032(3) Uani 1 1 d . . . . .
H57 H 0.937886 0.30121 0.564732 0.038 Uiso 1 1 calc R U . . .
C17 C 0.1953(10) 0.0908(9) 0.8627(4) 0.045(3) Uani 1 1 d . . . . .
H17 H 0.12156 0.077949 0.880638 0.054 Uiso 1 1 calc R U . . .
C31 C 0.3059(9) 0.7079(8) 0.7203(4) 0.039(3) Uani 1 1 d . . . . .
H31 H 0.240265 0.678536 0.709373 0.047 Uiso 1 1 calc R U . . .
C7 C 0.4561(8) 0.2884(8) 0.9238(4) 0.034(3) Uani 1 1 d . . . . .
H7 H 0.473517 0.34369 0.904884 0.04 Uiso 1 1 calc R U . . .
C26 C 0.7010(7) 0.6445(7) 0.8140(3) 0.025(2) Uani 1 1 d . . . . .
H26A H 0.69258 0.709271 0.823616 0.03 Uiso 1 1 calc R U . . .
H26B H 0.786937 0.619046 0.817863 0.03 Uiso 1 1 calc R U . . .
C65 C 0.6384(8) 0.3973(8) 0.5209(4) 0.031(3) Uani 1 1 d . . . . .
H65 H 0.625785 0.336388 0.514164 0.037 Uiso 1 1 calc R U . . .
C55 C 1.0248(8) 0.4996(8) 0.5827(4) 0.036(3) Uani 1 1 d . . . . .
H55 H 1.06651 0.545921 0.564461 0.044 Uiso 1 1 calc R U . . .
C62 C 1.1014(9) 0.0859(8) 0.7175(4) 0.038(3) Uani 1 1 d . . . . .
H62 H 1.154609 0.076264 0.746438 0.045 Uiso 1 1 calc R U . . .
C60 C 1.0352(9) 0.0419(8) 0.6345(4) 0.039(3) Uani 1 1 d . . . . .
H60 H 1.04483 0.00155 0.606223 0.047 Uiso 1 1 calc R U . . .
C9 C 0.8722(8) 0.2631(9) 0.9151(4) 0.038(3) Uani 1 1 d . . . . .
H9 H 0.858517 0.316009 0.891283 0.045 Uiso 1 1 calc R U . . .
C22 C 0.5164(9) 0.0267(8) 0.6462(4) 0.036(3) Uani 1 1 d . . . . .
H22 H 0.455519 0.026756 0.620822 0.043 Uiso 1 1 calc R U . . .
C12 C 0.9098(9) 0.1108(9) 0.9854(4) 0.039(3) Uani 1 1 d . . . . .
H12 H 0.922346 0.05904 1.01005 0.047 Uiso 1 1 calc R U . . .
C44 C 0.4868(8) 0.7287(7) 0.9121(4) 0.028(2) Uani 1 1 d . . . . .
H44 H 0.564209 0.737658 0.924071 0.034 Uiso 1 1 calc R U . . .
C56 C 1.0099(8) 0.4220(8) 0.5576(4) 0.033(3) Uani 1 1 d . . . . .
H56 H 1.042336 0.414852 0.522231 0.04 Uiso 1 1 calc R U . . .
C66 C 0.6692(8) 0.4579(7) 0.4796(4) 0.028(2) Uani 1 1 d . . . . .
H66 H 0.677376 0.438292 0.444154 0.033 Uiso 1 1 calc R U . . .
C61 C 1.1143(10) 0.0277(8) 0.6773(4) 0.044(3) Uani 1 1 d . . . . .
H61 H 1.176649 -0.022511 0.678052 0.053 Uiso 1 1 calc R U . . .
O5S O 0.2802(8) 0.8382(8) 0.4794(4) 0.083(4) Uani 1 1 d . . . . .
C30 C 0.2868(9) 0.7981(8) 0.7345(4) 0.039(3) Uani 1 1 d . . . . .
H30 H 0.207133 0.829587 0.733202 0.047 Uiso 1 1 calc R U . . .
C36 C 0.9402(9) 0.7764(8) 0.6380(4) 0.038(3) Uani 1 1 d . . . . .
H36 H 0.998503 0.803336 0.615238 0.046 Uiso 1 1 calc R U . . .
C3 C 0.5024(8) 0.1262(8) 0.9421(4) 0.034(3) Uani 1 1 d . . . . .
H3 H 0.55237 0.070275 0.936693 0.041 Uiso 1 1 calc R U . . .
C6 C 0.3550(9) 0.2879(10) 0.9587(4) 0.047(3) Uani 1 1 d . . . . .
H6 H 0.305296 0.343312 0.9656 0.057 Uiso 1 1 calc R U . . .
C16 C 0.2863(9) 0.0220(8) 0.8568(4) 0.035(3) Uani 1 1 d . . . . .
H16 H 0.275399 -0.038591 0.870094 0.043 Uiso 1 1 calc R U . . .
C43 C 0.3849(9) 0.7845(8) 0.9275(4) 0.037(3) Uani 1 1 d . . . . .
H43 H 0.392271 0.832473 0.950339 0.045 Uiso 1 1 calc R U . . .
C23 C 0.6240(10) -0.0274(9) 0.6396(4) 0.042(3) Uani 1 1 d . . . . .
H23 H 0.638306 -0.063554 0.609484 0.051 Uiso 1 1 calc R U . . .
C1F C 0.9358(9) 0.9124(8) 0.8484(4) 0.034(3) Uani 1 1 d . . . . .
C4 C 0.3985(9) 0.1268(10) 0.9755(4) 0.045(3) Uani 1 1 d . . . . .
H4 H 0.377738 0.071301 0.99313 0.054 Uiso 1 1 calc R U . . .
C11 C 0.9854(8) 0.1775(9) 0.9841(4) 0.043(3) Uani 1 1 d . . . . .
H11 H 1.05093 0.171451 1.007579 0.052 Uiso 1 1 calc R U . . .
C29 C 0.3786(9) 0.8435(9) 0.7502(4) 0.046(3) Uani 1 1 d . . . . .
H29 H 0.362748 0.905524 0.759381 0.055 Uiso 1 1 calc R U . . .
C10 C 0.9678(9) 0.2544(9) 0.9486(4) 0.045(3) Uani 1 1 d . . . . .
H10 H 1.021438 0.300303 0.947571 0.054 Uiso 1 1 calc R U . . .
C35 C 0.8360(10) 0.7516(8) 0.6172(4) 0.037(3) Uani 1 1 d . . . . .
H35 H 0.823086 0.760729 0.579949 0.044 Uiso 1 1 calc R U . . .
C37 C 0.9587(9) 0.7617(9) 0.6921(5) 0.050(3) Uani 1 1 d . . . . .
H37 H 1.031097 0.777686 0.70593 0.06 Uiso 1 1 calc R U . . .
C34 C 0.7487(9) 0.7122(8) 0.6520(4) 0.035(3) Uani 1 1 d . . . . .
H34 H 0.677055 0.694954 0.638115 0.042 Uiso 1 1 calc R U . . .
C5 C 0.3287(10) 0.2053(11) 0.9828(4) 0.052(4) Uani 1 1 d . . . . .
H5 H 0.258074 0.204379 1.005493 0.062 Uiso 1 1 calc R U . . .
O4S O 0.1589(13) 0.8659(12) 0.5530(5) 0.172(8) Uani 1 1 d . . . . .
F4 F 0.3768(10) 0.8589(9) 0.6176(4) 0.132(4) Uani 1 1 d . U . . .
S2 S 0.2658(5) 0.8853(4) 0.52842(19) 0.1062(19) Uani 1 1 d D . . . .
F6 F 0.3597(17) 0.7348(12) 0.5786(6) 0.226(8) Uani 1 1 d D U . . .
F5 F 0.4848(13) 0.8253(12) 0.5493(5) 0.168(5) Uani 1 1 d . U . . .
O6S O 0.3004(19) 0.9780(12) 0.5284(6) 0.209(10) Uani 1 1 d . . . . .
C2F C 0.3811(19) 0.8252(17) 0.5705(8) 0.102(6) Uani 1 1 d . U . . .
O1M O 0.9128(15) 0.8662(15) 0.5003(6) 0.059(6) Uani 0.5 1 d . . P . .
C1M C 0.978(2) 0.8081(17) 0.5032(8) 0.032(5) Uani 0.5 1 d . 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
Yb1 O1 2.323(6) . ?
Yb1 O6 2.331(6) . ?
Yb1 O5 2.366(6) . ?
Yb1 O3 2.369(6) . ?
Yb1 O4 2.372(6) . ?
Yb1 O2 2.442(7) . ?
Yb1 N1 2.526(7) . ?
Yb1 N2 2.591(7) 1_655 ?
Ag1 C1N 2.039(8) . ?
Ag1 C2N 2.047(8) . ?
P5 O5 1.510(6) . ?
P5 C52 1.793(9) . ?
P5 C58 1.801(10) . ?
P5 C51 1.809(9) . ?
P4 O4 1.489(7) . ?
P4 C45 1.793(9) . ?
P4 C39 1.817(9) . ?
P4 C26 1.819(8) . ?
P1 O1 1.490(7) . ?
P1 C2 1.792(8) . ?
P1 C8 1.809(9) . ?
P1 C1 1.825(10) . ?
P6 O6 1.503(6) . ?
P6 C70 1.794(8) . ?
P6 C64 1.799(9) . ?
P6 C51 1.804(10) . ?
P2 O2 1.481(7) . ?
P2 C20 1.795(10) . ?
P2 C1 1.799(9) . ?
P2 C14 1.809(8) . ?
S1 O1S 1.428(8) . ?
S1 O2S 1.437(7) . ?
S1 O3S 1.438(7) . ?
S1 C1F 1.841(9) . ?
P3 O3 1.496(7) . ?
P3 C33 1.782(9) . ?
P3 C27 1.787(10) . ?
P3 C26 1.793(9) . ?
F1 C1F 1.322(12) . ?
F3 C1F 1.321(12) . ?
F2 C1F 1.321(11) . ?
N2 C2N 1.138(11) . ?
C47 C46 1.368(12) . ?
C47 C48 1.391(12) . ?
C1N N1 1.144(10) . ?
C46 C45 1.402(11) . ?
C45 C50 1.401(12) . ?
C70 C75 1.362(13) . ?
C70 C71 1.391(11) . ?
C71 C72 1.387(13) . ?
C14 C15 1.365(13) . ?
C14 C19 1.400(13) . ?
C8 C9 1.385(14) . ?
C8 C13 1.391(14) . ?
C25 C24 1.376(13) . ?
C25 C20 1.386(13) . ?
C2 C3 1.371(14) . ?
C2 C7 1.397(14) . ?
C48 C49 1.370(13) . ?
C52 C53 1.374(14) . ?
C52 C57 1.427(12) . ?
C20 C21 1.398(13) . ?
C27 C28 1.402(14) . ?
C27 C32 1.405(12) . ?
C64 C69 1.371(14) . ?
C64 C65 1.399(13) . ?
C39 C44 1.387(14) . ?
C39 C40 1.390(12) . ?
C69 C68 1.399(13) . ?
C40 C41 1.394(13) . ?
C58 C59 1.378(13) . ?
C58 C63 1.401(13) . ?
C32 C31 1.378(14) . ?
C63 C62 1.379(14) . ?
C53 C54 1.402(12) . ?
C49 C50 1.371(13) . ?
C59 C60 1.353(14) . ?
C18 C17 1.396(16) . ?
C18 C19 1.392(12) . ?
C75 C74 1.407(12) . ?
C21 C22 1.368(13) . ?
C67 C66 1.344(14) . ?
C67 C68 1.372(14) . ?
C15 C16 1.414(12) . ?
C33 C34 1.382(13) . ?
C33 C38 1.408(13) . ?
C28 C29 1.392(14) . ?
C73 C72 1.345(14) . ?
C73 C74 1.353(13) . ?
C42 C43 1.374(14) . ?
C42 C41 1.381(14) . ?
C13 C12 1.386(13) . ?
C24 C23 1.386(14) . ?
C38 C37 1.376(13) . ?
C54 C55 1.389(13) . ?
C57 C56 1.371(14) . ?
C17 C16 1.353(16) . ?
C31 C30 1.385(15) . ?
C7 C6 1.392(13) . ?
C65 C66 1.382(13) . ?
C55 C56 1.370(15) . ?
C62 C61 1.359(15) . ?
C60 C61 1.408(15) . ?
C9 C10 1.374(14) . ?
C22 C23 1.366(14) . ?
C12 C11 1.362(16) . ?
C44 C43 1.374(13) . ?
O5S S2 1.446(10) . ?
C30 C29 1.368(15) . ?
C36 C37 1.381(15) . ?
C36 C35 1.387(15) . ?
C3 C4 1.396(13) . ?
C6 C5 1.377(18) . ?
C4 C5 1.330(18) . ?
C11 C10 1.393(16) . ?
C35 C34 1.425(12) . ?
O4S S2 1.365(10) . ?
F4 C2F 1.309(19) . ?
S2 O6S 1.459(13) . ?
S2 C2F 1.81(2) . ?
F6 C2F 1.38(2) . ?
F5 C2F 1.247(19) . ?
O1M C1M 1.06(3) . ?

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
O1 Yb1 O6 148.1(2) . . ?
O1 Yb1 O5 87.9(2) . . ?
O6 Yb1 O5 77.07(19) . . ?
O1 Yb1 O3 138.3(2) . . ?
O6 Yb1 O3 73.0(2) . . ?
O5 Yb1 O3 101.6(2) . . ?
O1 Yb1 O4 75.8(2) . . ?
O6 Yb1 O4 130.2(2) . . ?
O5 Yb1 O4 146.5(2) . . ?
O3 Yb1 O4 74.4(2) . . ?
O1 Yb1 O2 73.3(2) . . ?
O6 Yb1 O2 75.9(2) . . ?
O5 Yb1 O2 76.3(2) . . ?
O3 Yb1 O2 148.4(2) . . ?
O4 Yb1 O2 124.32(19) . . ?
O1 Yb1 N1 101.8(2) . . ?
O6 Yb1 N1 77.0(2) . . ?
O5 Yb1 N1 144.4(2) . . ?
O3 Yb1 N1 93.6(2) . . ?
O4 Yb1 N1 68.6(2) . . ?
O2 Yb1 N1 74.1(2) . . ?
O1 Yb1 N2 72.9(2) . 1_655 ?
O6 Yb1 N2 126.1(2) . 1_655 ?
O5 Yb1 N2 71.3(2) . 1_655 ?
O3 Yb1 N2 72.0(2) . 1_655 ?
O4 Yb1 N2 76.0(2) . 1_655 ?
O2 Yb1 N2 133.4(2) . 1_655 ?
N1 Yb1 N2 144.2(3) . 1_655 ?
C1N Ag1 C2N 174.8(4) . . ?
O5 P5 C52 111.0(4) . . ?
O5 P5 C58 111.5(4) . . ?
C52 P5 C58 107.6(4) . . ?
O5 P5 C51 111.6(3) . . ?
C52 P5 C51 108.0(4) . . ?
C58 P5 C51 106.9(5) . . ?
O4 P4 C45 112.0(4) . . ?
O4 P4 C39 109.7(4) . . ?
C45 P4 C39 107.4(4) . . ?
O4 P4 C26 112.3(4) . . ?
C45 P4 C26 108.3(4) . . ?
C39 P4 C26 106.9(4) . . ?
O1 P1 C2 111.8(4) . . ?
O1 P1 C8 109.6(4) . . ?
C2 P1 C8 108.0(4) . . ?
O1 P1 C1 110.1(4) . . ?
C2 P1 C1 107.6(4) . . ?
C8 P1 C1 109.8(4) . . ?
O6 P6 C70 111.2(4) . . ?
O6 P6 C64 109.1(4) . . ?
C70 P6 C64 110.4(4) . . ?
O6 P6 C51 112.6(4) . . ?
C70 P6 C51 105.0(4) . . ?
C64 P6 C51 108.5(4) . . ?
O2 P2 C20 112.8(4) . . ?
O2 P2 C1 111.8(4) . . ?
C20 P2 C1 107.1(4) . . ?
O2 P2 C14 111.5(4) . . ?
C20 P2 C14 104.9(4) . . ?
C1 P2 C14 108.4(4) . . ?
O1S S1 O2S 114.9(5) . . ?
O1S S1 O3S 115.7(4) . . ?
O2S S1 O3S 114.5(5) . . ?
O1S S1 C1F 102.0(5) . . ?
O2S S1 C1F 104.0(4) . . ?
O3S S1 C1F 103.2(5) . . ?
O3 P3 C33 111.6(4) . . ?
O3 P3 C27 111.3(4) . . ?
C33 P3 C27 107.7(4) . . ?
O3 P3 C26 112.7(4) . . ?
C33 P3 C26 106.7(4) . . ?
C27 P3 C26 106.6(4) . . ?
P6 O6 Yb1 143.4(4) . . ?
P3 O3 Yb1 140.0(3) . . ?
P5 O5 Yb1 137.5(3) . . ?
P2 O2 Yb1 142.7(4) . . ?
P4 O4 Yb1 140.4(3) . . ?
P1 O1 Yb1 146.2(4) . . ?
C2N N2 Yb1 161.1(7) . 1_455 ?
C46 C47 C48 120.9(9) . . ?
N1 C1N Ag1 177.2(9) . . ?
C1N N1 Yb1 169.9(8) . . ?
P6 C51 P5 112.4(5) . . ?
C47 C46 C45 119.8(8) . . ?
C46 C45 C50 118.3(8) . . ?
C46 C45 P4 125.2(7) . . ?
C50 C45 P4 116.5(6) . . ?
C75 C70 C71 120.5(8) . . ?
C75 C70 P6 122.0(6) . . ?
C71 C70 P6 117.6(7) . . ?
C72 C71 C70 118.0(10) . . ?
C15 C14 C19 121.1(8) . . ?
C15 C14 P2 121.4(7) . . ?
C19 C14 P2 117.5(7) . . ?
C9 C8 C13 120.0(9) . . ?
C9 C8 P1 117.4(8) . . ?
C13 C8 P1 122.4(8) . . ?
C24 C25 C20 119.5(9) . . ?
N2 C2N Ag1 169.3(8) . . ?
C3 C2 C7 120.0(8) . . ?
C3 C2 P1 124.4(8) . . ?
C7 C2 P1 115.6(8) . . ?
C49 C48 C47 119.9(9) . . ?
P2 C1 P1 111.0(5) . . ?
C53 C52 C57 120.1(9) . . ?
C53 C52 P5 119.1(7) . . ?
C57 C52 P5 120.8(8) . . ?
C25 C20 C21 120.0(9) . . ?
C25 C20 P2 122.9(7) . . ?
C21 C20 P2 116.6(8) . . ?
C28 C27 C32 120.6(9) . . ?
C28 C27 P3 121.6(7) . . ?
C32 C27 P3 117.8(8) . . ?
C69 C64 C65 119.7(9) . . ?
C69 C64 P6 118.9(7) . . ?
C65 C64 P6 121.4(8) . . ?
C44 C39 C40 121.7(9) . . ?
C44 C39 P4 120.5(7) . . ?
C40 C39 P4 117.6(8) . . ?
C64 C69 C68 119.6(10) . . ?
C39 C40 C41 117.4(10) . . ?
C59 C58 C63 119.9(10) . . ?
C59 C58 P5 123.1(7) . . ?
C63 C58 P5 116.8(8) . . ?
C31 C32 C27 119.0(10) . . ?
C62 C63 C58 119.5(10) . . ?
C52 C53 C54 119.6(9) . . ?
C50 C49 C48 119.9(8) . . ?
C60 C59 C58 120.0(10) . . ?
C17 C18 C19 119.0(10) . . ?
C49 C50 C45 121.2(8) . . ?
C70 C75 C74 119.9(8) . . ?
C22 C21 C20 119.0(9) . . ?
C66 C67 C68 120.6(9) . . ?
C14 C15 C16 118.9(10) . . ?
C34 C33 C38 119.8(8) . . ?
C34 C33 P3 116.9(7) . . ?
C38 C33 P3 123.1(7) . . ?
C29 C28 C27 119.2(10) . . ?
C18 C19 C14 119.4(10) . . ?
C72 C73 C74 121.1(9) . . ?
C67 C68 C69 119.9(11) . . ?
C73 C72 C71 121.5(9) . . ?
C73 C74 C75 119.1(10) . . ?
C43 C42 C41 119.6(9) . . ?
C12 C13 C8 119.4(11) . . ?
C25 C24 C23 120.4(10) . . ?
C42 C41 C40 121.3(9) . . ?
C37 C38 C33 119.6(10) . . ?
C55 C54 C53 119.7(11) . . ?
C56 C57 C52 119.0(10) . . ?
C16 C17 C18 121.2(9) . . ?
C32 C31 C30 119.5(9) . . ?
C2 C7 C6 119.4(11) . . ?
P3 C26 P4 112.2(5) . . ?
C66 C65 C64 119.2(10) . . ?
C56 C55 C54 120.6(10) . . ?
C61 C62 C63 120.3(11) . . ?
C59 C60 C61 120.4(11) . . ?
C10 C9 C8 120.3(11) . . ?
C23 C22 C21 121.5(10) . . ?
C11 C12 C13 120.3(11) . . ?
C39 C44 C43 119.0(10) . . ?
C55 C56 C57 121.0(9) . . ?
C67 C66 C65 121.1(9) . . ?
C62 C61 C60 119.8(11) . . ?
C29 C30 C31 122.4(10) . . ?
C37 C36 C35 119.8(9) . . ?
C2 C3 C4 119.6(11) . . ?
C5 C6 C7 118.5(11) . . ?
C17 C16 C15 120.3(10) . . ?
C42 C43 C44 120.9(11) . . ?
C22 C23 C24 119.6(10) . . ?
F1 C1F F2 107.7(9) . . ?
F1 C1F F3 107.9(7) . . ?
F2 C1F F3 107.7(9) . . ?
F1 C1F S1 111.7(7) . . ?
F2 C1F S1 110.6(6) . . ?
F3 C1F S1 111.1(8) . . ?
C5 C4 C3 119.9(12) . . ?
C12 C11 C10 120.7(10) . . ?
C30 C29 C28 119.2(12) . . ?
C9 C10 C11 119.3(11) . . ?
C36 C35 C34 119.4(10) . . ?
C38 C37 C36 121.6(10) . . ?
C33 C34 C35 119.8(10) . . ?
C4 C5 C6 122.5(10) . . ?
O4S S2 O5S 107.6(7) . . ?
O4S S2 O6S 119.6(11) . . ?
O5S S2 O6S 118.9(8) . . ?
O4S S2 C2F 104.4(10) . . ?
O5S S2 C2F 104.3(8) . . ?
O6S S2 C2F 99.4(12) . . ?
F5 C2F F4 110.5(17) . . ?
F5 C2F F6 107(2) . . ?
F4 C2F F6 106.8(18) . . ?
F5 C2F S2 112.1(16) . . ?
F4 C2F S2 111.4(17) . . ?
F6 C2F S2 108.9(15) . . ?



# 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_ErAg
_database_code_depnum_ccdc_archive 'CCDC 2454864'
loop_
_audit_author_name
_audit_author_address
'Aleksander Hoffman'
;Jagiellonian University
Poland
;
_audit_update_record             
;
2025-10-05 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;

_audit_creation_date             2024-01-19T17:06:58-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

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

_chemical_formula_moiety         '2(C77 H66 Ag Er N2 O6 P6), 4(C F3 O3 S), C O'
_chemical_formula_sum            'C159 H132 Ag2 Er2 F12 N4 O25 P12 S4'
_chemical_formula_weight         3776.83

#----------------------------------------------------------------------------#
#                   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                   11.0523(6)
_cell_length_b                   14.6703(8)
_cell_length_c                   25.1417(13)
_cell_angle_alpha                86.331(2)
_cell_angle_beta                 86.941(2)
_cell_angle_gamma                83.433(2)
_cell_volume                     4037.1(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    65104
_cell_measurement_theta_min      2.082
_cell_measurement_theta_max      25.027
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1896

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

_exptl_absorpt_coefficient_mu    1.521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6491
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

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

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  D8Venture
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_number            65104
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.082
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_reflns_Friedel_coverage         0
_reflns_number_total             14215
_reflns_number_gt                13540
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

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

_atom_sites_solution_hydrogens   geom

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0380P)²+21.9069P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14215
_refine_ls_number_parameters     1000
_refine_ls_number_restraints     1
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0413
_refine_ls_wR_factor_ref         0.1033
_refine_ls_wR_factor_gt          0.1021
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.801
_refine_diff_density_min         -1.773
_refine_diff_density_rms         0.124

# start Validation Reply Form 
_vrf_PLAT971_ErAg                
;
RESPONSE: The relatively large residual density remained in the
part of the crystal structure related to the non-coordinated
trifluoromethanesulfonate (triflate) counter-ion, which reveals
a high structural disorder. We found a single representative
position of this counter-ion, for which the occupancy of the
atoms was given to be full to follow the determined formula
of the compound (to ensure the charge balance; as was also
determined by the other measurements and the comparison with
the analogous reported compounds). We attempted to determine
the alternative position of this counter-ion to describe the
indicated residual density; however, all the related attempts
were unsuccessful as they resulted either in the unreliable
structural modelling of the counter-ion or the unstability
in the refinement procedure. 
Therefore, we decided to leave only the single, representative
model of this highly disordered counter-ion, whose presence 
was confirmed by the other measurements (e.g., CHNS elemental
analysis) and the comparison with the other members of the
reported family of compounds.
;
# end Validation Reply Form


#----------------------------------------------------------------------------#
#                   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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'

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
Er1 Er 0.62729(2) 0.39707(2) 0.76761(2) 0.01263(7) Uani 1 1 d . . . . .
Ag1 Ag 0.11510(3) 0.44723(2) 0.79467(2) 0.02282(9) Uani 1 1 d . . . . .
P6 P 0.82752(9) 0.27824(8) 0.67215(4) 0.0152(2) Uani 1 1 d . . . . .
P2 P 0.66661(10) 0.21927(8) 0.87331(4) 0.0171(2) Uani 1 1 d . . . . .
P1 P 0.55367(10) 0.15673(7) 0.77888(4) 0.0165(2) Uani 1 1 d . . . . .
P5 P 0.58497(10) 0.35212(8) 0.63057(4) 0.0154(2) Uani 1 1 d . . . . .
P3 P 0.60797(10) 0.57878(8) 0.85920(4) 0.0185(2) Uani 1 1 d . . . . .
P4 P 0.66349(11) 0.63795(8) 0.74540(5) 0.0197(2) Uani 1 1 d . . . . .
S1 S 0.78841(11) 0.87206(8) 0.87038(5) 0.0256(3) Uani 1 1 d . . . . .
O5 O 0.5727(3) 0.4034(2) 0.68077(11) 0.0166(6) Uani 1 1 d . . . . .
O4 O 0.6603(3) 0.5412(2) 0.72976(12) 0.0198(6) Uani 1 1 d . . . . .
O2 O 0.6634(3) 0.3119(2) 0.84498(12) 0.0191(6) Uani 1 1 d . . . . .
O1 O 0.5443(3) 0.2557(2) 0.75901(12) 0.0178(6) Uani 1 1 d . . . . .
O6 O 0.7863(3) 0.3065(2) 0.72708(11) 0.0164(6) Uani 1 1 d . . . . .
F3 F 0.9224(3) 0.9949(2) 0.82416(13) 0.0399(8) Uani 1 1 d . . . . .
O3 O 0.5686(3) 0.4975(2) 0.83462(12) 0.0193(6) Uani 1 1 d . . . . .
F2 F 1.0031(3) 0.9172(3) 0.89031(14) 0.0496(9) Uani 1 1 d . . . . .
F1 F 0.9983(3) 0.8544(3) 0.81644(16) 0.0563(10) Uani 1 1 d . . . . .
N1 N 0.4033(3) 0.4315(2) 0.77453(15) 0.0179(8) Uani 1 1 d . . . . .
N2 N -0.1712(3) 0.4358(3) 0.80000(14) 0.0186(8) Uani 1 1 d . . . . .
O2S O 0.8232(4) 0.7832(2) 0.89538(16) 0.0392(9) Uani 1 1 d . . . . .
O1S O 0.7277(4) 0.8711(3) 0.82133(16) 0.0442(10) Uani 1 1 d . . . . .
O3S O 0.7349(4) 0.9402(3) 0.90517(16) 0.0412(9) Uani 1 1 d . . . . .
C58 C 0.4484(4) 0.3041(3) 0.61878(17) 0.0168(9) Uani 1 1 d . . . . .
C2N C -0.0693(4) 0.4426(3) 0.80247(18) 0.0222(10) Uani 1 1 d . . . . .
C64 C 0.9029(4) 0.3656(3) 0.63535(17) 0.0160(8) Uani 1 1 d . . . . .
C2 C 0.4130(4) 0.1287(3) 0.81188(17) 0.0207(9) Uani 1 1 d . . . . .
C1N C 0.3004(4) 0.4421(3) 0.78226(19) 0.0229(10) Uani 1 1 d . . . . .
C52 C 0.6245(4) 0.4269(3) 0.57472(17) 0.0187(9) Uani 1 1 d . . . . .
C59 C 0.3431(4) 0.3327(3) 0.64870(18) 0.0226(10) Uani 1 1 d . . . . .
H59 H 0.344804 0.376952 0.674546 0.027 Uiso 1 1 calc R U . . .
C51 C 0.7023(4) 0.2553(3) 0.63404(17) 0.0172(9) Uani 1 1 d . . . . .
H51A H 0.666595 0.200808 0.650595 0.021 Uiso 1 1 calc R U . . .
H51B H 0.732892 0.241003 0.59745 0.021 Uiso 1 1 calc R U . . .
C65 C 0.9201(4) 0.4446(3) 0.66030(19) 0.0225(10) Uani 1 1 d . . . . .
H65 H 0.888776 0.452809 0.695812 0.027 Uiso 1 1 calc R U . . .
C8 C 0.5849(4) 0.0789(3) 0.72660(17) 0.0206(9) Uani 1 1 d . . . . .
C14 C 0.5330(4) 0.2109(3) 0.91574(17) 0.0234(10) Uani 1 1 d . . . . .
C34 C 0.7995(4) 0.5756(3) 0.92914(19) 0.0261(10) Uani 1 1 d . . . . .
H34 H 0.834569 0.619016 0.905108 0.031 Uiso 1 1 calc R U . . .
C70 C 0.9327(4) 0.1753(3) 0.67503(18) 0.0198(9) Uani 1 1 d . . . . .
C69 C 0.9488(4) 0.3535(3) 0.58308(18) 0.0225(9) Uani 1 1 d . . . . .
H69 H 0.936794 0.299553 0.565957 0.027 Uiso 1 1 calc R U . . .
C63 C 0.4448(4) 0.2389(3) 0.58099(19) 0.0234(10) Uani 1 1 d . . . . .
H63 H 0.516689 0.218681 0.560658 0.028 Uiso 1 1 calc R U . . .
C1 C 0.6734(4) 0.1313(3) 0.82590(17) 0.0191(9) Uani 1 1 d . . . . .
H1A H 0.66487 0.071231 0.845173 0.023 Uiso 1 1 calc R U . . .
H1B H 0.753776 0.126882 0.806284 0.023 Uiso 1 1 calc R U . . .
C9 C 0.6940(5) 0.0230(3) 0.72003(19) 0.0257(10) Uani 1 1 d . . . . .
H9 H 0.755537 0.022425 0.745059 0.031 Uiso 1 1 calc R U . . .
C33 C 0.6905(4) 0.5442(3) 0.91835(18) 0.0216(9) Uani 1 1 d . . . . .
C66 C 0.9830(4) 0.5117(3) 0.6333(2) 0.0278(10) Uani 1 1 d . . . . .
H66 H 0.994619 0.565812 0.650329 0.033 Uiso 1 1 calc R U . . .
C3 C 0.3182(4) 0.1980(3) 0.8182(2) 0.0261(10) Uani 1 1 d . . . . .
H3 H 0.327754 0.258978 0.804797 0.031 Uiso 1 1 calc R U . . .
C13 C 0.4942(5) 0.0791(3) 0.6895(2) 0.0287(11) Uani 1 1 d . . . . .
H13 H 0.418845 0.11672 0.693993 0.034 Uiso 1 1 calc R U . . .
C35 C 0.8575(5) 0.5429(4) 0.9756(2) 0.0321(11) Uani 1 1 d . . . . .
H35 H 0.932264 0.564112 0.983455 0.038 Uiso 1 1 calc R U . . .
C7 C 0.3983(5) 0.0395(3) 0.8312(2) 0.0297(11) Uani 1 1 d . . . . .
H7 H 0.463111 -0.008353 0.827216 0.036 Uiso 1 1 calc R U . . .
C60 C 0.2354(4) 0.2963(3) 0.6407(2) 0.0279(11) Uani 1 1 d . . . . .
H60 H 0.163398 0.315518 0.661235 0.033 Uiso 1 1 calc R U . . .
C75 C 1.0090(4) 0.1613(3) 0.7176(2) 0.0280(11) Uani 1 1 d . . . . .
H75 H 0.999716 0.202465 0.745608 0.034 Uiso 1 1 calc R U . . .
C39 C 0.5161(4) 0.7027(3) 0.73879(18) 0.0240(10) Uani 1 1 d . . . . .
C26 C 0.7040(4) 0.6426(3) 0.81390(18) 0.0211(9) Uani 1 1 d . . . . .
H26A H 0.790189 0.616962 0.817499 0.025 Uiso 1 1 calc R U . . .
H26B H 0.695934 0.707511 0.823514 0.025 Uiso 1 1 calc R U . . .
C20 C 0.7961(4) 0.1998(3) 0.91446(18) 0.0232(10) Uani 1 1 d . . . . .
C71 C 0.9446(4) 0.1138(3) 0.6345(2) 0.0261(10) Uani 1 1 d . . . . .
H71 H 0.891893 0.122798 0.605533 0.031 Uiso 1 1 calc R U . . .
C57 C 0.6404(5) 0.5167(3) 0.58404(19) 0.0274(10) Uani 1 1 d . . . . .
H57 H 0.630736 0.537201 0.619259 0.033 Uiso 1 1 calc R U . . .
C44 C 0.4214(5) 0.6589(4) 0.7223(2) 0.0329(12) Uani 1 1 d . . . . .
H44 H 0.435885 0.597312 0.711969 0.039 Uiso 1 1 calc R U . . .
C10 C 0.7132(5) -0.0321(4) 0.6768(2) 0.0355(12) Uani 1 1 d . . . . .
H10 H 0.787454 -0.070954 0.672436 0.043 Uiso 1 1 calc R U . . .
C53 C 0.6381(4) 0.3980(4) 0.52294(19) 0.0270(10) Uani 1 1 d . . . . .
H53 H 0.627354 0.336462 0.516349 0.032 Uiso 1 1 calc R U . . .
C27 C 0.4771(4) 0.6555(3) 0.87895(18) 0.0226(10) Uani 1 1 d . . . . .
C67 C 1.0288(4) 0.4994(4) 0.5816(2) 0.0291(11) Uani 1 1 d . . . . .
H67 H 1.072156 0.544983 0.563099 0.035 Uiso 1 1 calc R U . . .
C28 C 0.3637(4) 0.6409(3) 0.86177(19) 0.0251(10) Uani 1 1 d . . . . .
H28 H 0.356315 0.59191 0.839613 0.03 Uiso 1 1 calc R U . . .
C29 C 0.2609(5) 0.6990(4) 0.8775(2) 0.0304(11) Uani 1 1 d . . . . .
H29 H 0.183174 0.690366 0.865505 0.036 Uiso 1 1 calc R U . . .
C61 C 0.2328(4) 0.2323(4) 0.6029(2) 0.0299(11) Uani 1 1 d . . . . .
H61 H 0.158755 0.207901 0.597527 0.036 Uiso 1 1 calc R U . . .
C62 C 0.3366(5) 0.2036(3) 0.5731(2) 0.0289(11) Uani 1 1 d . . . . .
H62 H 0.334012 0.1596 0.547133 0.035 Uiso 1 1 calc R U . . .
C5 C 0.1948(5) 0.0900(4) 0.8630(2) 0.0365(13) Uani 1 1 d . . . . .
H5 H 0.120228 0.076629 0.880691 0.044 Uiso 1 1 calc R U . . .
C37 C 0.6977(5) 0.4483(4) 0.9995(2) 0.0351(12) Uani 1 1 d . . . . .
H37 H 0.663076 0.404285 1.023278 0.042 Uiso 1 1 calc R U . . .
C19 C 0.4562(5) 0.2913(4) 0.9232(2) 0.0331(12) Uani 1 1 d . . . . .
H19 H 0.473201 0.347242 0.904659 0.04 Uiso 1 1 calc R U . . .
C55 C 0.6829(4) 0.5475(4) 0.4904(2) 0.0307(11) Uani 1 1 d . . . . .
H55 H 0.702503 0.588975 0.461481 0.037 Uiso 1 1 calc R U . . .
C21 C 0.8711(5) 0.2696(4) 0.9141(2) 0.0334(12) Uani 1 1 d . . . . .
H21 H 0.857277 0.322483 0.890483 0.04 Uiso 1 1 calc R U . . .
C45 C 0.7720(4) 0.6963(3) 0.7049(2) 0.0259(10) Uani 1 1 d . . . . .
C40 C 0.4966(5) 0.7934(3) 0.7524(2) 0.0304(11) Uani 1 1 d . . . . .
H40 H 0.562293 0.823376 0.763017 0.036 Uiso 1 1 calc R U . . .
C38 C 0.6390(5) 0.4813(4) 0.9536(2) 0.0313(11) Uani 1 1 d . . . . .
H38 H 0.563498 0.460759 0.946297 0.038 Uiso 1 1 calc R U . . .
C54 C 0.6670(5) 0.4582(4) 0.48120(19) 0.0313(11) Uani 1 1 d . . . . .
H54 H 0.676098 0.438025 0.445899 0.038 Uiso 1 1 calc R U . . .
C32 C 0.4886(5) 0.7270(3) 0.91132(19) 0.0276(10) Uani 1 1 d . . . . .
H32 H 0.566392 0.737072 0.922588 0.033 Uiso 1 1 calc R U . . .
C25 C 0.8181(5) 0.1220(4) 0.9486(2) 0.0303(11) Uani 1 1 d . . . . .
H25 H 0.7682 0.073429 0.948536 0.036 Uiso 1 1 calc R U . . .
C4 C 0.2087(5) 0.1785(4) 0.8441(2) 0.0356(12) Uani 1 1 d . . . . .
H4 H 0.143858 0.226091 0.848615 0.043 Uiso 1 1 calc R U . . .
C56 C 0.6704(5) 0.5767(4) 0.5417(2) 0.0356(12) Uani 1 1 d . . . . .
H56 H 0.682397 0.638054 0.548077 0.043 Uiso 1 1 calc R U . . .
C1F C 0.9356(5) 0.9113(3) 0.8489(2) 0.0295(11) Uani 1 1 d . . . . .
C36 C 0.8058(5) 0.4792(4) 1.0106(2) 0.0355(12) Uani 1 1 d . . . . .
H36 H 0.845347 0.457037 1.042275 0.043 Uiso 1 1 calc R U . . .
C24 C 0.9137(5) 0.1158(4) 0.9830(2) 0.0375(13) Uani 1 1 d . . . . .
H24 H 0.928042 0.063023 1.006722 0.045 Uiso 1 1 calc R U . . .
C43 C 0.3053(5) 0.7059(4) 0.7209(3) 0.0421(14) Uani 1 1 d . . . . .
H43 H 0.239811 0.67601 0.709836 0.051 Uiso 1 1 calc R U . . .
C30 C 0.2719(5) 0.7687(4) 0.9102(2) 0.0341(12) Uani 1 1 d . . . . .
H30 H 0.20121 0.80704 0.921447 0.041 Uiso 1 1 calc R U . . .
C72 C 1.0342(5) 0.0392(3) 0.6368(2) 0.0341(12) Uani 1 1 d . . . . .
H72 H 1.042679 -0.003077 0.609398 0.041 Uiso 1 1 calc R U . . .
C68 C 1.0113(4) 0.4198(4) 0.55649(19) 0.0283(11) Uani 1 1 d . . . . .
H68 H 1.042738 0.411484 0.520998 0.034 Uiso 1 1 calc R U . . .
C31 C 0.3851(5) 0.7837(4) 0.9271(2) 0.0338(12) Uani 1 1 d . . . . .
H31 H 0.391846 0.832664 0.949337 0.041 Uiso 1 1 calc R U . . .
C41 C 0.3798(5) 0.8402(4) 0.7503(2) 0.0383(13) Uani 1 1 d . . . . .
H41 H 0.365529 0.902679 0.759082 0.046 Uiso 1 1 calc R U . . .
C12 C 0.5152(6) 0.0244(4) 0.6465(2) 0.0379(13) Uani 1 1 d . . . . .
H12 H 0.454176 0.024556 0.621212 0.046 Uiso 1 1 calc R U . . .
C22 C 0.9671(5) 0.2614(5) 0.9488(2) 0.0449(15) Uani 1 1 d . . . . .
H22 H 1.018865 0.308882 0.948759 0.054 Uiso 1 1 calc R U . . .
C15 C 0.5053(5) 0.1282(4) 0.9414(2) 0.0360(12) Uani 1 1 d . . . . .
H15 H 0.556055 0.072616 0.935436 0.043 Uiso 1 1 calc R U . . .
C74 C 1.0992(5) 0.0866(4) 0.7193(2) 0.0370(13) Uani 1 1 d . . . . .
H74 H 1.152232 0.077256 0.748119 0.044 Uiso 1 1 calc R U . . .
C50 C 0.8784(5) 0.7223(4) 0.7245(2) 0.0362(12) Uani 1 1 d . . . . .
H50 H 0.893058 0.713798 0.761449 0.043 Uiso 1 1 calc R U . . .
C11 C 0.6240(6) -0.0304(4) 0.6401(2) 0.0396(13) Uani 1 1 d . . . . .
H11 H 0.638068 -0.067308 0.610194 0.048 Uiso 1 1 calc R U . . .
C6 C 0.2885(5) 0.0209(4) 0.8564(2) 0.0365(13) Uani 1 1 d . . . . .
H6 H 0.277922 -0.040078 0.869305 0.044 Uiso 1 1 calc R U . . .
C49 C 0.9619(5) 0.7604(4) 0.6894(3) 0.0437(15) Uani 1 1 d . . . . .
H49 H 1.034302 0.777657 0.702802 0.052 Uiso 1 1 calc R U . . .
C23 C 0.9866(5) 0.1839(5) 0.9831(2) 0.0410(14) Uani 1 1 d . . . . .
H23 H 1.051404 0.178582 1.006852 0.049 Uiso 1 1 calc R U . . .
C48 C 0.9433(6) 0.7739(4) 0.6362(3) 0.0454(16) Uani 1 1 d . . . . .
H48 H 1.002616 0.79941 0.612849 0.054 Uiso 1 1 calc R U . . .
O5S O 0.2795(6) 0.8401(5) 0.4789(2) 0.092(2) Uani 1 1 d . . . . .
C73 C 1.1112(5) 0.0265(4) 0.6789(2) 0.0383(13) Uani 1 1 d . . . . .
H73 H 1.17285 -0.024203 0.680072 0.046 Uiso 1 1 calc R U . . .
C17 C 0.3290(6) 0.2081(6) 0.9839(2) 0.057(2) Uani 1 1 d . . . . .
H17 H 0.259552 0.20753 1.007822 0.068 Uiso 1 1 calc R U . . .
C18 C 0.3551(5) 0.2894(5) 0.9577(3) 0.0511(17) Uani 1 1 d . . . . .
H18 H 0.303127 0.344466 0.963352 0.061 Uiso 1 1 calc R U . . .
C46 C 0.7510(6) 0.7118(4) 0.6511(2) 0.0367(13) Uani 1 1 d . . . . .
H46 H 0.677503 0.696239 0.637847 0.044 Uiso 1 1 calc R U . . .
C16 C 0.4025(6) 0.1281(6) 0.9757(2) 0.0515(18) Uani 1 1 d . . . . .
H16 H 0.383062 0.072246 0.99355 0.062 Uiso 1 1 calc R U . . .
C42 C 0.2842(5) 0.7949(4) 0.7354(3) 0.0454(15) Uani 1 1 d . . . . .
H42 H 0.203912 0.825894 0.735214 0.054 Uiso 1 1 calc R U . . .
C47 C 0.8358(7) 0.7498(4) 0.6162(2) 0.0495(17) Uani 1 1 d . . . . .
H47 H 0.821302 0.759303 0.57923 0.059 Uiso 1 1 calc R U . . .
F5 F 0.3782(10) 0.8543(6) 0.6178(2) 0.182(5) Uani 1 1 d . . . . .
O4S O 0.1522(9) 0.8766(6) 0.5561(4) 0.157(5) Uani 1 1 d . . . . .
F6 F 0.3543(17) 0.7369(7) 0.5767(4) 0.263(8) Uani 1 1 d . . . . .
F4 F 0.4910(11) 0.8263(12) 0.5478(4) 0.238(7) Uani 1 1 d . . . . .
S2 S 0.2733(4) 0.8867(2) 0.52835(13) 0.1245(14) Uani 1 1 d . . . . .
O6S O 0.3134(14) 0.9754(7) 0.5270(4) 0.204(6) Uani 1 1 d . . . . .
C2F C 0.390(2) 0.8177(11) 0.5716(5) 0.142(6) Uani 1 1 d . . . . .
O1M O 1.0243(14) 0.1846(8) 0.4985(4) 0.093(5) Uani 0.5 1 d D . P . .
C1M C 1.0992(14) 0.1104(12) 0.4951(5) 0.063(4) Uani 0.5 1 d D . 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
Er1 O2 2.272(3) . ?
Er1 O5 2.289(3) . ?
Er1 O6 2.311(3) . ?
Er1 O4 2.322(3) . ?
Er1 O3 2.326(3) . ?
Er1 O1 2.388(3) . ?
Er1 N1 2.468(3) . ?
Er1 N2 2.548(4) 1_655 ?
Ag1 C2N 2.045(5) . ?
Ag1 C1N 2.049(5) . ?
P6 O6 1.500(3) . ?
P6 C64 1.790(4) . ?
P6 C70 1.797(4) . ?
P6 C51 1.799(4) . ?
P2 O2 1.491(3) . ?
P2 C14 1.786(5) . ?
P2 C20 1.796(5) . ?
P2 C1 1.805(4) . ?
P1 O1 1.499(3) . ?
P1 C8 1.790(5) . ?
P1 C2 1.800(5) . ?
P1 C1 1.813(4) . ?
P5 O5 1.502(3) . ?
P5 C58 1.783(4) . ?
P5 C52 1.793(4) . ?
P5 C51 1.811(4) . ?
P3 O3 1.495(3) . ?
P3 C27 1.797(5) . ?
P3 C33 1.801(5) . ?
P3 C26 1.806(5) . ?
P4 O4 1.501(3) . ?
P4 C45 1.789(5) . ?
P4 C39 1.800(5) . ?
P4 C26 1.810(5) . ?
S1 O3S 1.426(4) . ?
S1 O2S 1.431(4) . ?
S1 O1S 1.437(4) . ?
S1 C1F 1.831(5) . ?
F3 C1F 1.335(6) . ?
F2 C1F 1.325(6) . ?
F1 C1F 1.318(6) . ?
N1 C1N 1.138(6) . ?
N2 C2N 1.147(6) . ?
C58 C59 1.390(6) . ?
C58 C63 1.396(6) . ?
C64 C65 1.388(6) . ?
C64 C69 1.398(6) . ?
C2 C3 1.384(7) . ?
C2 C7 1.391(7) . ?
C52 C57 1.385(7) . ?
C52 C53 1.390(6) . ?
C59 C60 1.387(7) . ?
C65 C66 1.390(7) . ?
C8 C9 1.387(7) . ?
C8 C13 1.404(7) . ?
C14 C19 1.389(7) . ?
C14 C15 1.395(7) . ?
C34 C33 1.384(7) . ?
C34 C35 1.395(7) . ?
C70 C75 1.389(7) . ?
C70 C71 1.395(7) . ?
C69 C68 1.375(7) . ?
C63 C62 1.385(7) . ?
C9 C10 1.389(7) . ?
C33 C38 1.387(7) . ?
C66 C67 1.386(7) . ?
C3 C4 1.393(7) . ?
C13 C12 1.383(7) . ?
C35 C36 1.391(8) . ?
C7 C6 1.385(7) . ?
C60 C61 1.381(7) . ?
C75 C74 1.394(7) . ?
C39 C44 1.383(7) . ?
C39 C40 1.384(7) . ?
C20 C21 1.388(7) . ?
C20 C25 1.391(7) . ?
C71 C72 1.389(7) . ?
C57 C56 1.387(7) . ?
C44 C43 1.387(8) . ?
C10 C11 1.382(8) . ?
C53 C54 1.376(7) . ?
C27 C32 1.389(7) . ?
C27 C28 1.390(7) . ?
C67 C68 1.399(7) . ?
C28 C29 1.396(7) . ?
C29 C30 1.372(8) . ?
C61 C62 1.377(7) . ?
C5 C6 1.375(8) . ?
C5 C4 1.376(8) . ?
C37 C36 1.374(8) . ?
C37 C38 1.387(7) . ?
C19 C18 1.379(8) . ?
C55 C54 1.378(8) . ?
C55 C56 1.380(8) . ?
C21 C22 1.398(8) . ?
C45 C46 1.385(7) . ?
C45 C50 1.401(7) . ?
C40 C41 1.393(7) . ?
C32 C31 1.391(7) . ?
C25 C24 1.392(7) . ?
C24 C23 1.353(9) . ?
C43 C42 1.370(8) . ?
C30 C31 1.387(8) . ?
C72 C73 1.384(8) . ?
C41 C42 1.390(8) . ?
C12 C11 1.376(8) . ?
C22 C23 1.387(9) . ?
C15 C16 1.390(8) . ?
C74 C73 1.377(8) . ?
C50 C49 1.381(8) . ?
C49 C48 1.363(9) . ?
C48 C47 1.405(10) . ?
O5S S2 1.452(6) . ?
C17 C16 1.369(11) . ?
C17 C18 1.378(11) . ?
C46 C47 1.388(8) . ?
F5 C2F 1.305(13) . ?
O4S S2 1.495(8) . ?
F6 C2F 1.288(16) . ?
F4 C2F 1.25(2) . ?
S2 O6S 1.419(8) . ?
S2 C2F 1.893(17) . ?
O1M C1M 1.295(15) . ?

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
O2 Er1 O5 148.53(10) . . ?
O2 Er1 O6 88.44(10) . . ?
O5 Er1 O6 77.35(10) . . ?
O2 Er1 O4 138.40(10) . . ?
O5 Er1 O4 72.51(10) . . ?
O6 Er1 O4 100.69(11) . . ?
O2 Er1 O3 75.14(11) . . ?
O5 Er1 O3 130.13(10) . . ?
O6 Er1 O3 146.18(10) . . ?
O4 Er1 O3 75.15(10) . . ?
O2 Er1 O1 73.95(10) . . ?
O5 Er1 O1 75.50(10) . . ?
O6 Er1 O1 76.70(10) . . ?
O4 Er1 O1 147.63(10) . . ?
O3 Er1 O1 124.46(10) . . ?
O2 Er1 N1 101.38(12) . . ?
O5 Er1 N1 76.56(11) . . ?
O6 Er1 N1 144.05(11) . . ?
O4 Er1 N1 94.58(11) . . ?
O3 Er1 N1 69.28(11) . . ?
O1 Er1 N1 73.13(11) . . ?
O2 Er1 N2 72.67(11) . 1_655 ?
O5 Er1 N2 126.22(11) . 1_655 ?
O6 Er1 N2 70.62(11) . 1_655 ?
O4 Er1 N2 72.48(11) . 1_655 ?
O3 Er1 N2 76.27(11) . 1_655 ?
O1 Er1 N2 133.24(11) . 1_655 ?
N1 Er1 N2 145.33(12) . 1_655 ?
C2N Ag1 C1N 174.72(18) . . ?
O6 P6 C64 111.42(19) . . ?
O6 P6 C70 111.08(19) . . ?
C64 P6 C70 107.50(19) . . ?
O6 P6 C51 112.07(18) . . ?
C64 P6 C51 107.5(2) . . ?
C70 P6 C51 107.1(2) . . ?
O2 P2 C14 110.9(2) . . ?
O2 P2 C20 109.8(2) . . ?
C14 P2 C20 107.7(2) . . ?
O2 P2 C1 110.36(19) . . ?
C14 P2 C1 107.9(2) . . ?
C20 P2 C1 110.2(2) . . ?
O1 P1 C8 113.14(19) . . ?
O1 P1 C2 111.2(2) . . ?
C8 P1 C2 105.7(2) . . ?
O1 P1 C1 110.81(19) . . ?
C8 P1 C1 107.7(2) . . ?
C2 P1 C1 108.0(2) . . ?
O5 P5 C58 111.64(19) . . ?
O5 P5 C52 110.09(19) . . ?
C58 P5 C52 110.0(2) . . ?
O5 P5 C51 112.12(18) . . ?
C58 P5 C51 105.2(2) . . ?
C52 P5 C51 107.6(2) . . ?
O3 P3 C27 110.1(2) . . ?
O3 P3 C33 111.1(2) . . ?
C27 P3 C33 107.1(2) . . ?
O3 P3 C26 112.31(19) . . ?
C27 P3 C26 108.0(2) . . ?
C33 P3 C26 108.1(2) . . ?
O4 P4 C45 112.0(2) . . ?
O4 P4 C39 110.4(2) . . ?
C45 P4 C39 108.0(2) . . ?
O4 P4 C26 112.4(2) . . ?
C45 P4 C26 106.7(2) . . ?
C39 P4 C26 107.2(2) . . ?
O3S S1 O2S 115.6(2) . . ?
O3S S1 O1S 114.3(3) . . ?
O2S S1 O1S 114.7(2) . . ?
O3S S1 C1F 103.8(2) . . ?
O2S S1 C1F 102.6(2) . . ?
O1S S1 C1F 103.5(2) . . ?
P5 O5 Er1 143.92(18) . . ?
P4 O4 Er1 140.24(18) . . ?
P2 O2 Er1 146.44(18) . . ?
P1 O1 Er1 143.14(18) . . ?
P6 O6 Er1 138.52(17) . . ?
P3 O3 Er1 141.04(18) . . ?
C1N N1 Er1 173.3(4) . . ?
C2N N2 Er1 161.9(3) . 1_455 ?
C59 C58 C63 119.6(4) . . ?
C59 C58 P5 118.3(3) . . ?
C63 C58 P5 122.1(3) . . ?
N2 C2N Ag1 170.7(4) . . ?
C65 C64 C69 120.1(4) . . ?
C65 C64 P6 118.9(3) . . ?
C69 C64 P6 120.9(3) . . ?
C3 C2 C7 119.8(4) . . ?
C3 C2 P1 118.8(3) . . ?
C7 C2 P1 121.4(4) . . ?
N1 C1N Ag1 174.1(4) . . ?
C57 C52 C53 119.6(4) . . ?
C57 C52 P5 118.2(3) . . ?
C53 C52 P5 122.3(4) . . ?
C60 C59 C58 119.8(4) . . ?
P6 C51 P5 111.9(2) . . ?
C64 C65 C66 120.0(4) . . ?
C9 C8 C13 119.7(4) . . ?
C9 C8 P1 123.6(4) . . ?
C13 C8 P1 116.6(4) . . ?
C19 C14 C15 120.1(5) . . ?
C19 C14 P2 117.3(4) . . ?
C15 C14 P2 122.6(4) . . ?
C33 C34 C35 119.3(5) . . ?
C75 C70 C71 120.1(4) . . ?
C75 C70 P6 117.7(4) . . ?
C71 C70 P6 122.1(4) . . ?
C68 C69 C64 119.9(4) . . ?
C62 C63 C58 120.1(4) . . ?
P2 C1 P1 111.1(2) . . ?
C8 C9 C10 119.9(5) . . ?
C34 C33 C38 120.3(4) . . ?
C34 C33 P3 123.9(4) . . ?
C38 C33 P3 115.7(4) . . ?
C67 C66 C65 119.8(5) . . ?
C2 C3 C4 120.0(5) . . ?
C12 C13 C8 119.6(5) . . ?
C36 C35 C34 120.0(5) . . ?
C6 C7 C2 119.5(5) . . ?
C61 C60 C59 120.1(5) . . ?
C70 C75 C74 119.9(5) . . ?
C44 C39 C40 120.7(5) . . ?
C44 C39 P4 118.7(4) . . ?
C40 C39 P4 120.5(4) . . ?
P3 C26 P4 111.5(2) . . ?
C21 C20 C25 119.8(5) . . ?
C21 C20 P2 117.2(4) . . ?
C25 C20 P2 122.9(4) . . ?
C72 C71 C70 119.5(5) . . ?
C52 C57 C56 119.7(5) . . ?
C39 C44 C43 119.4(5) . . ?
C11 C10 C9 120.0(5) . . ?
C54 C53 C52 120.2(5) . . ?
C32 C27 C28 120.7(4) . . ?
C32 C27 P3 120.7(4) . . ?
C28 C27 P3 118.5(4) . . ?
C66 C67 C68 120.0(4) . . ?
C27 C28 C29 119.2(5) . . ?
C30 C29 C28 120.1(5) . . ?
C62 C61 C60 120.6(4) . . ?
C61 C62 C63 119.8(5) . . ?
C6 C5 C4 120.2(5) . . ?
C36 C37 C38 120.0(5) . . ?
C18 C19 C14 119.6(6) . . ?
C54 C55 C56 119.9(5) . . ?
C20 C21 C22 119.6(5) . . ?
C46 C45 C50 119.3(5) . . ?
C46 C45 P4 117.4(4) . . ?
C50 C45 P4 123.2(4) . . ?
C39 C40 C41 119.5(5) . . ?
C37 C38 C33 120.1(5) . . ?
C53 C54 C55 120.3(5) . . ?
C27 C32 C31 119.4(5) . . ?
C20 C25 C24 119.6(5) . . ?
C5 C4 C3 119.9(5) . . ?
C55 C56 C57 120.3(5) . . ?
F1 C1F F2 107.5(4) . . ?
F1 C1F F3 108.3(4) . . ?
F2 C1F F3 106.5(4) . . ?
F1 C1F S1 111.5(4) . . ?
F2 C1F S1 111.0(4) . . ?
F3 C1F S1 111.8(3) . . ?
C37 C36 C35 120.2(5) . . ?
C23 C24 C25 120.9(5) . . ?
C42 C43 C44 120.5(5) . . ?
C29 C30 C31 120.7(5) . . ?
C73 C72 C71 120.1(5) . . ?
C69 C68 C67 120.2(4) . . ?
C30 C31 C32 119.9(5) . . ?
C42 C41 C40 119.6(5) . . ?
C11 C12 C13 120.3(5) . . ?
C23 C22 C21 119.8(6) . . ?
C16 C15 C14 119.1(6) . . ?
C73 C74 C75 119.8(5) . . ?
C49 C50 C45 119.3(6) . . ?
C12 C11 C10 120.6(5) . . ?
C5 C6 C7 120.6(5) . . ?
C48 C49 C50 121.8(6) . . ?
C24 C23 C22 120.4(5) . . ?
C49 C48 C47 119.6(5) . . ?
C74 C73 C72 120.7(5) . . ?
C16 C17 C18 120.4(6) . . ?
C17 C18 C19 120.4(6) . . ?
C45 C46 C47 120.9(6) . . ?
C17 C16 C15 120.4(6) . . ?
C43 C42 C41 120.3(5) . . ?
C46 C47 C48 119.2(6) . . ?
O6S S2 O5S 118.2(6) . . ?
O6S S2 O4S 116.3(6) . . ?
O5S S2 O4S 108.3(5) . . ?
O6S S2 C2F 101.3(8) . . ?
O5S S2 C2F 105.4(5) . . ?
O4S S2 C2F 105.8(8) . . ?
F4 C2F F6 118.1(19) . . ?
F4 C2F F5 113.3(13) . . ?
F6 C2F F5 109.0(12) . . ?
F4 C2F S2 105.2(11) . . ?
F6 C2F S2 104.1(12) . . ?
F5 C2F S2 105.9(13) . . ?



# 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_Er@EuAg
_database_code_depnum_ccdc_archive 'CCDC 2454866'
loop_
_audit_author_name
_audit_author_address
'Aleksander Hoffman'
;Jagiellonian University
Poland
;
_audit_update_record             
;
2025-10-05 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;

_audit_creation_date             2024-03-06T02:24:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

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

_chemical_formula_moiety         
'2(C77 H66 Ag Er0.05 Eu0.95 N2 O6 P6), 4(C F3 O3 S), C O'
_chemical_formula_sum            'C159 H132 Ag2 Er0.10 Eu1.90 F12 N4 O25 P12 S4'
_chemical_formula_weight         3747.78

#----------------------------------------------------------------------------#
#                   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                   11.0368(2)
_cell_length_b                   14.6552(3)
_cell_length_c                   25.1310(7)
_cell_angle_alpha                86.2950(10)
_cell_angle_beta                 86.8580(10)
_cell_angle_gamma                83.4710(10)
_cell_volume                     4025.43(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    69976
_cell_measurement_theta_min      2.083
_cell_measurement_theta_max      25.026
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1887

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

_exptl_absorpt_coefficient_mu    1.288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6849
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

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

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  D8Venture
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_number            69976
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.083
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_full        25.026
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_reflns_Friedel_coverage         0
_reflns_number_total             14212
_reflns_number_gt                12994
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

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

_atom_sites_solution_hydrogens   geom

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0399P)²+28.8669P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14212
_refine_ls_number_parameters     1000
_refine_ls_number_restraints     44
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0484
_refine_ls_wR_factor_ref         0.1207
_refine_ls_wR_factor_gt          0.1177
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         4.882
_refine_diff_density_min         -1.555
_refine_diff_density_rms         0.132

# start Validation Reply Form 
_vrf_PLAT971_Er@EuAg             
;
RESPONSE: The relatively large residual density remained in the
part of the crystal structure related to the non-coordinated
trifluoromethanesulfonate (triflate) counter-ion, which reveals
a high structural disorder. We found a single representative
position of this counter-ion, for which the occupancy of the
atoms was given to be full to follow the determined formula
of the compound (to ensure the charge balance; as was also
determined by the other measurements and the comparison with
the analogous reported compounds). We attempted to determine
the alternative position of this counter-ion to describe the
indicated residual density; however, all the related attempts
were unsuccessful as they resulted either in the unreliable
structural modelling of the counter-ion or the unstability
in the refinement procedure. 
Therefore, we decided to leave only the single, representative
model of this highly disordered counter-ion, whose presence 
was confirmed by the other measurements (e.g., CHNS elemental
analysis) and the comparison with the other members of the
reported family of compounds.
;
# end Validation Reply Form

# start Validation Reply Form 
_vrf_PLAT973_Er@EuAg             
;
RESPONSE: This alert indicates that there is a positive residual density
that remained in the position of the heavy atom. This position
is partially occupied by the Eu and Er centers, and their 
partial occupancies were not taken from the electron density 
map, but they were fixed using the results of the EDX MA
studies on the single crystals. It is probable that, depending
on the selected crystal, the precise values of the related
partial occupancies of Er and Eu centers can slightly differ.
Such a small dispersion of the 4f-metal compositions in the
crystals was noticed within the EDX MA studies. However,
to avoid the misunderstanding of the interpretation, and to 
keep the uniform composition determined through multiple
measurements, we decided to keep the average Er/Eu ratio 
established by the EDX MA, especially since the amount of 
Er centers is small, and thus their number is determined by the 
residual electron density map cannot be treated as very
reliable due to the significant structural disorder of the crystals
of this compound. This was another reason why we kept
the Er/Eu ratio in the structural model as found by other physical
techniques. This resulted in the good agreement with the electron
density map, especially since the structures with heavy atoms
often contain the residual electron density close to them.
;
# end Validation Reply Form

#----------------------------------------------------------------------------#
#                   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'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
Eu1 Eu 0.62739(2) 0.39677(2) 0.76683(2) 0.00647(7) Uani 0.95 1 d . . P . .
Er1 Er 0.62739(2) 0.39677(2) 0.76683(2) 0.00647(7) Uani 0.05 1 d . . P . .
Ag1 Ag 0.11629(4) 0.44593(3) 0.79354(2) 0.02591(12) Uani 1 1 d . . . . .
P2 P 0.60818(13) 0.57698(10) 0.85870(6) 0.0189(3) Uani 1 1 d . . . . .
P5 P 0.66841(13) 0.21999(10) 0.87194(6) 0.0197(3) Uani 1 1 d . . . . .
P3 P 0.82681(13) 0.27896(10) 0.67190(6) 0.0196(3) Uani 1 1 d . . . . .
P4 P 0.58397(13) 0.35228(10) 0.63080(6) 0.0195(3) Uani 1 1 d . . . . .
P6 P 0.55453(13) 0.15662(10) 0.77820(6) 0.0198(3) Uani 1 1 d . . . . .
S1 S 0.78765(14) 0.87116(10) 0.87008(6) 0.0262(3) Uani 1 1 d . . . . .
P1 P 0.66343(13) 0.63619(10) 0.74482(6) 0.0202(3) Uani 1 1 d . . . . .
O2 O 0.5691(3) 0.4960(3) 0.83358(15) 0.0204(8) Uani 1 1 d . . . . .
O4 O 0.5721(3) 0.4033(3) 0.68077(15) 0.0204(8) Uani 1 1 d . . . . .
O3 O 0.7849(3) 0.3080(3) 0.72686(15) 0.0213(8) Uani 1 1 d . . . . .
O6 O 0.5448(3) 0.2555(2) 0.75846(15) 0.0213(8) Uani 1 1 d . . . . .
O5 O 0.6646(4) 0.3123(3) 0.84334(15) 0.0231(8) Uani 1 1 d . . . . .
O1 O 0.6608(4) 0.5396(3) 0.72906(15) 0.0227(8) Uani 1 1 d . . . . .
F1 F 0.9232(3) 0.9928(3) 0.82341(16) 0.0411(9) Uani 1 1 d . . . . .
F2 F 1.0020(4) 0.9171(3) 0.89112(17) 0.0473(10) Uani 1 1 d . . . . .
F3 F 1.0002(4) 0.8522(3) 0.81711(18) 0.0555(12) Uani 1 1 d . . . . .
O2S O 0.7276(4) 0.8699(3) 0.82078(19) 0.0422(12) Uani 1 1 d . . . . .
N1 N 0.4058(4) 0.4300(3) 0.77458(19) 0.0226(10) Uani 1 1 d . . . . .
O3S O 0.7336(4) 0.9403(3) 0.90499(19) 0.0374(11) Uani 1 1 d . . . . .
O1S O 0.8213(5) 0.7826(3) 0.89570(19) 0.0398(11) Uani 1 1 d . . . . .
C21 C 0.7995(5) 0.5752(4) 0.9290(2) 0.0231(12) Uani 1 1 d . . . . .
H21 H 0.834435 0.618686 0.90494 0.028 Uiso 1 1 calc R U . . .
C1N C 0.3023(5) 0.4404(4) 0.7818(2) 0.0246(12) Uani 1 1 d . . . . .
C20 C 0.6904(5) 0.5430(4) 0.9180(2) 0.0215(12) Uani 1 1 d . . . . .
C22 C 0.8573(6) 0.5433(4) 0.9755(2) 0.0290(13) Uani 1 1 d . . . . .
H22 H 0.931911 0.565073 0.98325 0.035 Uiso 1 1 calc R U . . .
C45 C 0.4470(5) 0.3036(4) 0.6185(2) 0.0222(12) Uani 1 1 d . . . . .
C28 C 0.9204(5) 0.4457(4) 0.6595(2) 0.0258(13) Uani 1 1 d . . . . .
H28 H 0.88867 0.454616 0.694952 0.031 Uiso 1 1 calc R U . . .
C27 C 0.9029(5) 0.3655(4) 0.6350(2) 0.0210(12) Uani 1 1 d . . . . .
C14 C 0.4761(5) 0.6538(4) 0.8786(2) 0.0218(12) Uani 1 1 d . . . . .
C26 C 0.7020(5) 0.2558(4) 0.6335(2) 0.0217(12) Uani 1 1 d . . . . .
H26A H 0.666844 0.200732 0.649731 0.026 Uiso 1 1 calc R U . . .
H26B H 0.732927 0.242451 0.596808 0.026 Uiso 1 1 calc R U . . .
C71 C 0.6940(6) 0.0215(4) 0.7191(2) 0.0285(13) Uani 1 1 d . . . . .
H71 H 0.755288 0.020173 0.744313 0.034 Uiso 1 1 calc R U . . .
C64 C 0.4138(5) 0.1283(4) 0.8118(2) 0.0229(12) Uani 1 1 d . . . . .
C39 C 0.6233(5) 0.4277(4) 0.5748(2) 0.0227(12) Uani 1 1 d . . . . .
C65 C 0.3188(6) 0.1971(4) 0.8182(3) 0.0303(14) Uani 1 1 d . . . . .
H65 H 0.328128 0.258083 0.804702 0.036 Uiso 1 1 calc R U . . .
C46 C 0.3414(5) 0.3323(4) 0.6482(2) 0.0273(13) Uani 1 1 d . . . . .
H46 H 0.343072 0.376691 0.673943 0.033 Uiso 1 1 calc R U . . .
C51 C 0.6757(5) 0.1309(4) 0.8249(2) 0.0218(12) Uani 1 1 d . . . . .
H51A H 0.66723 0.070856 0.844385 0.026 Uiso 1 1 calc R U . . .
H51B H 0.755945 0.126407 0.805041 0.026 Uiso 1 1 calc R U . . .
C58 C 0.7980(5) 0.2013(4) 0.9130(2) 0.0237(12) Uani 1 1 d . . . . .
C52 C 0.5353(5) 0.2113(4) 0.9146(2) 0.0241(12) Uani 1 1 d . . . . .
C2 C 0.5167(5) 0.7010(4) 0.7384(2) 0.0234(12) Uani 1 1 d . . . . .
C57 C 0.4564(6) 0.2922(5) 0.9216(3) 0.0343(15) Uani 1 1 d . . . . .
H57 H 0.472352 0.347824 0.902375 0.041 Uiso 1 1 calc R U . . .
C29 C 0.9838(6) 0.5120(4) 0.6325(3) 0.0337(15) Uani 1 1 d . . . . .
H29 H 0.995385 0.566429 0.649248 0.04 Uiso 1 1 calc R U . . .
C70 C 0.5847(6) 0.0783(4) 0.7255(2) 0.0242(12) Uani 1 1 d . . . . .
C1 C 0.7044(5) 0.6416(4) 0.8135(2) 0.0201(11) Uani 1 1 d . . . . .
H1A H 0.790839 0.616287 0.817102 0.024 Uiso 1 1 calc R U . . .
H1B H 0.695722 0.706559 0.823072 0.024 Uiso 1 1 calc R U . . .
C38 C 1.0079(6) 0.1618(4) 0.7180(3) 0.0314(14) Uani 1 1 d . . . . .
H38 H 0.998613 0.203082 0.745958 0.038 Uiso 1 1 calc R U . . .
C25 C 0.6388(6) 0.4810(4) 0.9538(2) 0.0297(13) Uani 1 1 d . . . . .
H25 H 0.56271 0.460984 0.946734 0.036 Uiso 1 1 calc R U . . .
C15 C 0.3634(5) 0.6396(4) 0.8610(2) 0.0241(12) Uani 1 1 d . . . . .
H15 H 0.356664 0.59101 0.838506 0.029 Uiso 1 1 calc R U . . .
C3 C 0.4968(6) 0.7924(4) 0.7526(2) 0.0306(14) Uani 1 1 d . . . . .
H3 H 0.56217 0.82245 0.763727 0.037 Uiso 1 1 calc R U . . .
C69 C 0.3999(6) 0.0390(4) 0.8310(2) 0.0307(14) Uani 1 1 d . . . . .
H69 H 0.46495 -0.008683 0.826588 0.037 Uiso 1 1 calc R U . . .
C63 C 0.8211(6) 0.1230(4) 0.9470(2) 0.0299(14) Uani 1 1 d . . . . .
H63 H 0.772755 0.073532 0.946218 0.036 Uiso 1 1 calc R U . . .
C24 C 0.6969(6) 0.4478(5) 0.9999(2) 0.0322(14) Uani 1 1 d . . . . .
H24 H 0.662352 0.403857 1.023754 0.039 Uiso 1 1 calc R U . . .
C32 C 0.9496(5) 0.3527(4) 0.5825(2) 0.0280(13) Uani 1 1 d . . . . .
H32 H 0.937627 0.298556 0.565524 0.034 Uiso 1 1 calc R U . . .
C59 C 0.8721(6) 0.2728(5) 0.9131(2) 0.0308(14) Uani 1 1 d . . . . .
H59 H 0.857164 0.326108 0.889794 0.037 Uiso 1 1 calc R U . . .
C30 C 1.0305(6) 0.4989(5) 0.5807(3) 0.0354(15) Uani 1 1 d . . . . .
H30 H 1.074479 0.544211 0.562149 0.043 Uiso 1 1 calc R U . . .
C17 C 0.2705(6) 0.7670(4) 0.9098(2) 0.0324(14) Uani 1 1 d . . . . .
H17 H 0.199434 0.805071 0.921043 0.039 Uiso 1 1 calc R U . . .
C33 C 0.9318(5) 0.1759(4) 0.6754(2) 0.0236(12) Uani 1 1 d . . . . .
C50 C 0.4444(5) 0.2386(4) 0.5811(2) 0.0277(13) Uani 1 1 d . . . . .
H50 H 0.516652 0.218828 0.560733 0.033 Uiso 1 1 calc R U . . .
C16 C 0.2600(6) 0.6971(4) 0.8765(2) 0.0295(14) Uani 1 1 d . . . . .
H16 H 0.182511 0.688261 0.864219 0.035 Uiso 1 1 calc R U . . .
C75 C 0.4939(6) 0.0784(4) 0.6890(3) 0.0323(14) Uani 1 1 d . . . . .
H75 H 0.418738 0.11621 0.693706 0.039 Uiso 1 1 calc R U . . .
C23 C 0.8060(6) 0.4796(4) 1.0105(2) 0.0310(14) Uani 1 1 d . . . . .
H23 H 0.846004 0.457646 1.042105 0.037 Uiso 1 1 calc R U . . .
C48 C 0.2321(6) 0.2314(4) 0.6026(3) 0.0325(14) Uani 1 1 d . . . . .
H48 H 0.158117 0.206778 0.59697 0.039 Uiso 1 1 calc R U . . .
C19 C 0.4878(6) 0.7252(4) 0.9111(2) 0.0267(13) Uani 1 1 d . . . . .
H19 H 0.565789 0.73507 0.922409 0.032 Uiso 1 1 calc R U . . .
C47 C 0.2339(6) 0.2963(4) 0.6403(3) 0.0318(14) Uani 1 1 d . . . . .
H47 H 0.161522 0.31592 0.66063 0.038 Uiso 1 1 calc R U . . .
C40 C 0.6380(6) 0.5180(4) 0.5841(2) 0.0313(14) Uani 1 1 d . . . . .
H40 H 0.627925 0.538516 0.619298 0.038 Uiso 1 1 calc R U . . .
C13 C 0.8787(6) 0.7204(4) 0.7231(3) 0.0366(15) Uani 1 1 d . . . . .
H13 H 0.8941 0.710772 0.759986 0.044 Uiso 1 1 calc R U . . .
C42 C 0.6805(6) 0.5485(5) 0.4907(3) 0.0354(15) Uani 1 1 d . . . . .
H42 H 0.699568 0.590196 0.461752 0.042 Uiso 1 1 calc R U . . .
C34 C 0.9443(6) 0.1141(4) 0.6348(3) 0.0305(14) Uani 1 1 d . . . . .
H34 H 0.891568 0.122867 0.605805 0.037 Uiso 1 1 calc R U . . .
C18 C 0.3838(6) 0.7823(4) 0.9271(2) 0.0301(14) Uani 1 1 d . . . . .
H18 H 0.390306 0.831136 0.94955 0.036 Uiso 1 1 calc R U . . .
C66 C 0.2092(6) 0.1777(5) 0.8443(3) 0.0382(16) Uani 1 1 d . . . . .
H66 H 0.143994 0.225182 0.848636 0.046 Uiso 1 1 calc R U . . .
C7 C 0.4211(6) 0.6569(4) 0.7213(3) 0.0324(14) Uani 1 1 d . . . . .
H7 H 0.43536 0.595443 0.710715 0.039 Uiso 1 1 calc R U . . .
C72 C 0.7131(7) -0.0327(5) 0.6759(3) 0.0385(16) Uani 1 1 d . . . . .
H72 H 0.788011 -0.070735 0.671058 0.046 Uiso 1 1 calc R U . . .
C8 C 0.7723(5) 0.6950(4) 0.7042(2) 0.0254(13) Uani 1 1 d . . . . .
C35 C 1.0350(6) 0.0394(4) 0.6372(3) 0.0376(16) Uani 1 1 d . . . . .
H35 H 1.044179 -0.00287 0.60981 0.045 Uiso 1 1 calc R U . . .
C44 C 0.6371(6) 0.3987(5) 0.5231(2) 0.0303(14) Uani 1 1 d . . . . .
H44 H 0.626507 0.337088 0.516483 0.036 Uiso 1 1 calc R U . . .
C6 C 0.3051(7) 0.7044(5) 0.7202(3) 0.0461(19) Uani 1 1 d . . . . .
H6 H 0.23931 0.674839 0.709071 0.055 Uiso 1 1 calc R U . . .
C53 C 0.5077(6) 0.1287(5) 0.9413(2) 0.0348(15) Uani 1 1 d . . . . .
H53 H 0.558975 0.073308 0.93558 0.042 Uiso 1 1 calc R U . . .
C49 C 0.3365(6) 0.2024(5) 0.5732(3) 0.0326(14) Uani 1 1 d . . . . .
H49 H 0.334717 0.157715 0.547625 0.039 Uiso 1 1 calc R U . . .
C37 C 1.0977(6) 0.0873(5) 0.7199(3) 0.0408(17) Uani 1 1 d . . . . .
H37 H 1.149933 0.077806 0.748985 0.049 Uiso 1 1 calc R U . . .
C67 C 0.1960(6) 0.0891(5) 0.8638(3) 0.0393(16) Uani 1 1 d . . . . .
H67 H 0.121944 0.075561 0.882019 0.047 Uiso 1 1 calc R U . . .
C60 C 0.9676(6) 0.2649(5) 0.9475(3) 0.0399(16) Uani 1 1 d . . . . .
H60 H 1.019566 0.312364 0.947066 0.048 Uiso 1 1 calc R U . . .
C31 C 1.0127(6) 0.4189(5) 0.5558(3) 0.0340(15) Uani 1 1 d . . . . .
H31 H 1.044437 0.410284 0.520385 0.041 Uiso 1 1 calc R U . . .
C43 C 0.6661(6) 0.4594(5) 0.4812(2) 0.0337(15) Uani 1 1 d . . . . .
H43 H 0.676076 0.439368 0.445891 0.04 Uiso 1 1 calc R U . . .
C41 C 0.6675(7) 0.5780(5) 0.5419(3) 0.0403(17) Uani 1 1 d . . . . .
H41 H 0.678755 0.639668 0.548182 0.048 Uiso 1 1 calc R U . . .
C74 C 0.5130(7) 0.0239(4) 0.6462(3) 0.0394(16) Uani 1 1 d . . . . .
H74 H 0.451337 0.024274 0.621209 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3801(6) 0.8384(5) 0.7503(3) 0.0405(17) Uani 1 1 d . . . . .
H4 H 0.365597 0.900839 0.75935 0.049 Uiso 1 1 calc R U . . .
C62 C 0.9150(6) 0.1177(5) 0.9820(3) 0.0356(15) Uani 1 1 d . . . . .
H62 H 0.929228 0.065067 1.005889 0.043 Uiso 1 1 calc R U . . .
C56 C 0.3557(6) 0.2907(6) 0.9566(3) 0.0454(19) Uani 1 1 d . . . . .
H56 H 0.303401 0.345766 0.962092 0.054 Uiso 1 1 calc R U . . .
C68 C 0.2907(6) 0.0198(5) 0.8567(3) 0.0377(16) Uani 1 1 d . . . . .
H68 H 0.280669 -0.041426 0.86961 0.045 Uiso 1 1 calc R U . . .
C73 C 0.6227(7) -0.0316(5) 0.6394(3) 0.0414(17) Uani 1 1 d . . . . .
H73 H 0.63605 -0.069126 0.609741 0.05 Uiso 1 1 calc R U . . .
C36 C 1.1111(6) 0.0272(5) 0.6794(3) 0.0423(17) Uani 1 1 d . . . . .
H36 H 1.173389 -0.023206 0.680658 0.051 Uiso 1 1 calc R U . . .
C11 C 0.9414(7) 0.7736(5) 0.6351(3) 0.0450(19) Uani 1 1 d . . . . .
H11 H 0.999849 0.799925 0.611468 0.054 Uiso 1 1 calc R U . . .
C5 C 0.2842(7) 0.7940(5) 0.7350(3) 0.0467(19) Uani 1 1 d . . . . .
H5 H 0.204034 0.825342 0.734645 0.056 Uiso 1 1 calc R U . . .
C54 C 0.4059(7) 0.1277(6) 0.9760(3) 0.0464(19) Uani 1 1 d . . . . .
H54 H 0.387564 0.071769 0.994262 0.056 Uiso 1 1 calc R U . . .
C61 C 0.9876(6) 0.1878(5) 0.9825(3) 0.0403(17) Uani 1 1 d . . . . .
H61 H 1.051363 0.183673 1.006671 0.048 Uiso 1 1 calc R U . . .
C55 C 0.3307(6) 0.2087(7) 0.9838(3) 0.051(2) Uani 1 1 d . . . . .
H55 H 0.261521 0.208249 1.008003 0.062 Uiso 1 1 calc R U . . .
C1F C 0.9352(6) 0.9100(4) 0.8489(3) 0.0322(14) Uani 1 1 d . . . . .
C12 C 0.9627(7) 0.7600(5) 0.6883(3) 0.0452(18) Uani 1 1 d . . . . .
H12 H 1.035162 0.777656 0.701425 0.054 Uiso 1 1 calc R U . . .
C10 C 0.8354(8) 0.7495(5) 0.6152(3) 0.049(2) Uani 1 1 d . . . . .
H10 H 0.821225 0.758948 0.578231 0.059 Uiso 1 1 calc R U . . .
C9 C 0.7500(7) 0.7114(5) 0.6502(3) 0.0394(17) Uani 1 1 d . . . . .
H9 H 0.675949 0.696461 0.637096 0.047 Uiso 1 1 calc R U . . .
S2 S 0.7296(4) 0.1122(3) 0.47197(16) 0.1244(16) Uani 1 1 d D . . . .
O5S O 0.7231(8) 0.1623(6) 0.5209(3) 0.103(3) Uani 1 1 d . U . . .
F6 F 0.6264(10) 0.1443(6) 0.3824(3) 0.158(4) Uani 1 1 d . U . . .
O4S O 0.8499(9) 0.1219(6) 0.4442(4) 0.127(4) Uani 1 1 d . U . . .
F4 F 0.6478(14) 0.2645(7) 0.4232(4) 0.214(5) Uani 1 1 d D U . . .
F5 F 0.5124(11) 0.1813(10) 0.4508(4) 0.194(5) Uani 1 1 d . U . . .
O6S O 0.6809(13) 0.0258(8) 0.4719(5) 0.178(5) Uani 1 1 d . U . . .
C2F C 0.6164(15) 0.1791(11) 0.4299(5) 0.108(4) Uani 1 1 d D U . . .
O1M O 0.9652(19) -0.1794(10) 0.5000(5) 0.095(6) Uani 0.5 1 d . . P . .
C1M C 0.9057(17) -0.1136(17) 0.5037(7) 0.065(6) Uani 0.5 1 d . . P . .
C2N C -0.0679(5) 0.4425(4) 0.8014(2) 0.0243(12) Uani 1 1 d . . . . .
N2 N -0.1714(4) 0.4364(3) 0.79885(19) 0.0235(10) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
Er1 O5 2.249(4) . ?
Er1 O4 2.273(4) . ?
Er1 O3 2.278(4) . ?
Er1 O1 2.302(4) . ?
Er1 O2 2.308(4) . ?
Er1 O6 2.380(4) . ?
Er1 N1 2.438(5) . ?
Er1 N2 2.543(5) 1_655 ?
Ag1 C2N 2.037(6) . ?
Ag1 C1N 2.052(6) . ?
P2 O2 1.496(4) . ?
P2 C20 1.800(6) . ?
P2 C14 1.806(6) . ?
P2 C1 1.809(6) . ?
P5 O5 1.488(4) . ?
P5 C52 1.782(6) . ?
P5 C58 1.796(6) . ?
P5 C51 1.810(6) . ?
P3 O3 1.504(4) . ?
P3 C27 1.783(6) . ?
P3 C33 1.797(6) . ?
P3 C26 1.799(6) . ?
P4 O4 1.495(4) . ?
P4 C45 1.792(6) . ?
P4 C39 1.797(6) . ?
P4 C26 1.811(6) . ?
P6 O6 1.495(4) . ?
P6 C70 1.800(6) . ?
P6 C64 1.804(6) . ?
P6 C51 1.818(6) . ?
S1 O1S 1.430(5) . ?
S1 O2S 1.439(5) . ?
S1 O3S 1.439(5) . ?
S1 C1F 1.827(7) . ?
P1 O1 1.499(4) . ?
P1 C2 1.792(6) . ?
P1 C8 1.793(6) . ?
P1 C1 1.817(5) . ?
F1 C1F 1.331(7) . ?
F2 C1F 1.340(7) . ?
F3 C1F 1.326(7) . ?
N1 C1N 1.141(7) . ?
C21 C22 1.390(8) . ?
C21 C20 1.390(8) . ?
C20 C25 1.384(8) . ?
C22 C23 1.388(9) . ?
C45 C50 1.386(8) . ?
C45 C46 1.387(8) . ?
C28 C29 1.383(8) . ?
C28 C27 1.399(8) . ?
C27 C32 1.405(8) . ?
C14 C15 1.384(8) . ?
C14 C19 1.390(8) . ?
C71 C72 1.379(9) . ?
C71 C70 1.394(8) . ?
C64 C65 1.380(8) . ?
C64 C69 1.388(8) . ?
C39 C40 1.387(8) . ?
C39 C44 1.389(8) . ?
C65 C66 1.393(9) . ?
C46 C47 1.380(9) . ?
C58 C63 1.392(8) . ?
C58 C59 1.400(9) . ?
C52 C53 1.402(9) . ?
C52 C57 1.403(9) . ?
C2 C7 1.397(8) . ?
C2 C3 1.399(8) . ?
C57 C56 1.380(9) . ?
C29 C30 1.390(9) . ?
C70 C75 1.396(8) . ?
C38 C33 1.388(8) . ?
C38 C37 1.388(9) . ?
C25 C24 1.388(9) . ?
C15 C16 1.392(8) . ?
C3 C4 1.387(9) . ?
C69 C68 1.385(9) . ?
C63 C62 1.388(9) . ?
C24 C23 1.384(9) . ?
C32 C31 1.376(9) . ?
C59 C60 1.390(9) . ?
C30 C31 1.402(10) . ?
C17 C16 1.383(9) . ?
C17 C18 1.393(9) . ?
C33 C34 1.399(8) . ?
C50 C49 1.386(8) . ?
C75 C74 1.374(9) . ?
C48 C49 1.373(9) . ?
C48 C47 1.390(9) . ?
C19 C18 1.398(8) . ?
C40 C41 1.382(9) . ?
C13 C8 1.388(9) . ?
C13 C12 1.390(9) . ?
C42 C43 1.370(10) . ?
C42 C41 1.379(10) . ?
C34 C35 1.397(9) . ?
C66 C67 1.378(10) . ?
C7 C6 1.386(9) . ?
C72 C73 1.389(10) . ?
C8 C9 1.395(9) . ?
C35 C36 1.379(10) . ?
C44 C43 1.381(9) . ?
C6 C5 1.378(10) . ?
C53 C54 1.384(9) . ?
C37 C36 1.379(10) . ?
C67 C68 1.384(10) . ?
C60 C61 1.390(10) . ?
C74 C73 1.389(10) . ?
C4 C5 1.388(10) . ?
C62 C61 1.374(10) . ?
C56 C55 1.391(12) . ?
C11 C12 1.368(11) . ?
C11 C10 1.387(11) . ?
C54 C55 1.388(12) . ?
C10 C9 1.392(9) . ?
S2 O6S 1.430(9) . ?
S2 O5S 1.466(7) . ?
S2 O4S 1.484(8) . ?
S2 C2F 1.836(13) . ?
F6 C2F 1.322(14) . ?
F4 C2F 1.334(16) . ?
F5 C2F 1.234(16) . ?
O1M C1M 1.11(2) . ?
C2N N2 1.161(7) . ?

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
O5 Er1 O4 148.64(13) . . ?
O5 Er1 O3 88.14(14) . . ?
O4 Er1 O3 77.74(13) . . ?
O5 Er1 O1 138.27(14) . . ?
O4 Er1 O1 72.47(13) . . ?
O3 Er1 O1 100.29(13) . . ?
O5 Er1 O2 75.08(13) . . ?
O4 Er1 O2 130.07(13) . . ?
O3 Er1 O2 145.92(13) . . ?
O1 Er1 O2 75.54(13) . . ?
O5 Er1 O6 74.03(13) . . ?
O4 Er1 O6 75.54(13) . . ?
O3 Er1 O6 76.89(13) . . ?
O1 Er1 O6 147.70(13) . . ?
O2 Er1 O6 124.31(13) . . ?
O5 Er1 N1 101.29(15) . . ?
O4 Er1 N1 76.69(15) . . ?
O3 Er1 N1 144.42(14) . . ?
O1 Er1 N1 95.14(15) . . ?
O2 Er1 N1 69.10(14) . . ?
O6 Er1 N1 73.06(14) . . ?
O5 Er1 N2 72.56(15) . 1_655 ?
O4 Er1 N2 126.33(14) . 1_655 ?
O3 Er1 N2 70.53(14) . 1_655 ?
O1 Er1 N2 72.10(15) . 1_655 ?
O2 Er1 N2 76.15(14) . 1_655 ?
O6 Er1 N2 133.42(14) . 1_655 ?
N1 Er1 N2 145.05(15) . 1_655 ?
C2N Ag1 C1N 175.4(2) . . ?
O2 P2 C20 111.8(2) . . ?
O2 P2 C14 110.1(2) . . ?
C20 P2 C14 106.8(3) . . ?
O2 P2 C1 112.1(2) . . ?
C20 P2 C1 107.9(3) . . ?
C14 P2 C1 107.9(3) . . ?
O5 P5 C52 111.0(3) . . ?
O5 P5 C58 109.9(3) . . ?
C52 P5 C58 107.5(3) . . ?
O5 P5 C51 110.6(2) . . ?
C52 P5 C51 107.7(3) . . ?
C58 P5 C51 110.1(3) . . ?
O3 P3 C27 111.5(2) . . ?
O3 P3 C33 111.0(2) . . ?
C27 P3 C33 107.4(3) . . ?
O3 P3 C26 112.2(2) . . ?
C27 P3 C26 107.3(3) . . ?
C33 P3 C26 107.1(3) . . ?
O4 P4 C45 112.2(2) . . ?
O4 P4 C39 109.9(2) . . ?
C45 P4 C39 109.6(3) . . ?
O4 P4 C26 112.4(2) . . ?
C45 P4 C26 105.2(3) . . ?
C39 P4 C26 107.3(3) . . ?
O6 P6 C70 113.3(2) . . ?
O6 P6 C64 111.2(2) . . ?
C70 P6 C64 105.5(3) . . ?
O6 P6 C51 110.9(2) . . ?
C70 P6 C51 107.7(3) . . ?
C64 P6 C51 108.0(3) . . ?
O1S S1 O2S 115.0(3) . . ?
O1S S1 O3S 115.2(3) . . ?
O2S S1 O3S 114.5(3) . . ?
O1S S1 C1F 102.8(3) . . ?
O2S S1 C1F 103.5(3) . . ?
O3S S1 C1F 103.6(3) . . ?
O1 P1 C2 110.7(3) . . ?
O1 P1 C8 111.9(2) . . ?
C2 P1 C8 107.8(3) . . ?
O1 P1 C1 112.8(2) . . ?
C2 P1 C1 107.0(3) . . ?
C8 P1 C1 106.3(3) . . ?
P2 O2 Er1 141.4(2) . . ?
P4 O4 Er1 143.8(2) . . ?
P3 O3 Er1 138.8(2) . . ?
P6 O6 Er1 143.2(2) . . ?
P5 O5 Er1 146.8(2) . . ?
P1 O1 Er1 139.9(2) . . ?
C1N N1 Er1 174.3(5) . . ?
C22 C21 C20 119.7(5) . . ?
N1 C1N Ag1 174.4(5) . . ?
C25 C20 C21 119.8(5) . . ?
C25 C20 P2 116.1(4) . . ?
C21 C20 P2 124.1(4) . . ?
C23 C22 C21 119.9(6) . . ?
C50 C45 C46 119.8(5) . . ?
C50 C45 P4 122.1(4) . . ?
C46 C45 P4 118.1(4) . . ?
C29 C28 C27 120.3(6) . . ?
C28 C27 C32 119.7(5) . . ?
C28 C27 P3 119.2(4) . . ?
C32 C27 P3 121.0(4) . . ?
C15 C14 C19 121.0(5) . . ?
C15 C14 P2 118.6(4) . . ?
C19 C14 P2 120.5(4) . . ?
P3 C26 P4 111.6(3) . . ?
C72 C71 C70 119.8(6) . . ?
C65 C64 C69 119.9(6) . . ?
C65 C64 P6 119.0(4) . . ?
C69 C64 P6 121.1(5) . . ?
C40 C39 C44 119.6(5) . . ?
C40 C39 P4 118.3(4) . . ?
C44 C39 P4 122.1(5) . . ?
C64 C65 C66 120.4(6) . . ?
C47 C46 C45 120.2(6) . . ?
P5 C51 P6 110.3(3) . . ?
C63 C58 C59 120.0(6) . . ?
C63 C58 P5 122.8(5) . . ?
C59 C58 P5 117.1(5) . . ?
C53 C52 C57 119.5(6) . . ?
C53 C52 P5 123.2(5) . . ?
C57 C52 P5 117.3(5) . . ?
C7 C2 C3 120.7(6) . . ?
C7 C2 P1 118.6(4) . . ?
C3 C2 P1 120.6(5) . . ?
C56 C57 C52 119.9(7) . . ?
C28 C29 C30 119.9(6) . . ?
C71 C70 C75 119.8(6) . . ?
C71 C70 P6 123.2(5) . . ?
C75 C70 P6 116.9(5) . . ?
P2 C1 P1 110.9(3) . . ?
C33 C38 C37 120.0(6) . . ?
C20 C25 C24 120.8(6) . . ?
C14 C15 C16 119.6(6) . . ?
C4 C3 C2 118.9(6) . . ?
C68 C69 C64 119.6(6) . . ?
C62 C63 C58 119.7(6) . . ?
C23 C24 C25 119.1(6) . . ?
C31 C32 C27 119.7(6) . . ?
C60 C59 C58 119.3(6) . . ?
C29 C30 C31 120.1(6) . . ?
C16 C17 C18 120.9(6) . . ?
C38 C33 C34 119.9(6) . . ?
C38 C33 P3 118.1(5) . . ?
C34 C33 P3 121.8(5) . . ?
C45 C50 C49 120.1(6) . . ?
C17 C16 C15 119.8(6) . . ?
C74 C75 C70 120.1(6) . . ?
C24 C23 C22 120.6(6) . . ?
C49 C48 C47 120.5(6) . . ?
C14 C19 C18 119.4(6) . . ?
C46 C47 C48 119.6(6) . . ?
C41 C40 C39 119.8(6) . . ?
C8 C13 C12 120.2(7) . . ?
C43 C42 C41 120.5(6) . . ?
C35 C34 C33 119.4(6) . . ?
C17 C18 C19 119.3(6) . . ?
C67 C66 C65 119.6(6) . . ?
C6 C7 C2 119.0(6) . . ?
C71 C72 C73 120.0(6) . . ?
C13 C8 C9 119.1(6) . . ?
C13 C8 P1 123.7(5) . . ?
C9 C8 P1 117.1(5) . . ?
C36 C35 C34 120.0(6) . . ?
C43 C44 C39 120.1(6) . . ?
C5 C6 C7 120.7(6) . . ?
C54 C53 C52 120.2(7) . . ?
C48 C49 C50 119.9(6) . . ?
C36 C37 C38 120.1(7) . . ?
C66 C67 C68 120.0(6) . . ?
C61 C60 C59 120.3(7) . . ?
C32 C31 C30 120.4(6) . . ?
C42 C43 C44 120.0(6) . . ?
C42 C41 C40 120.0(6) . . ?
C75 C74 C73 119.9(6) . . ?
C3 C4 C5 120.4(6) . . ?
C61 C62 C63 120.6(6) . . ?
C57 C56 C55 120.1(7) . . ?
C67 C68 C69 120.5(6) . . ?
C72 C73 C74 120.3(6) . . ?
C37 C36 C35 120.6(6) . . ?
C12 C11 C10 120.8(6) . . ?
C6 C5 C4 120.2(7) . . ?
C53 C54 C55 119.6(7) . . ?
C62 C61 C60 120.0(6) . . ?
C54 C55 C56 120.6(6) . . ?
F3 C1F F1 108.0(5) . . ?
F3 C1F F2 107.1(5) . . ?
F1 C1F F2 106.5(5) . . ?
F3 C1F S1 112.0(5) . . ?
F1 C1F S1 112.1(4) . . ?
F2 C1F S1 110.8(4) . . ?
C11 C12 C13 120.2(7) . . ?
C11 C10 C9 119.2(7) . . ?
C10 C9 C8 120.5(7) . . ?
O6S S2 O5S 120.5(6) . . ?
O6S S2 O4S 118.6(6) . . ?
O5S S2 O4S 107.9(6) . . ?
O6S S2 C2F 97.3(9) . . ?
O5S S2 C2F 104.1(6) . . ?
O4S S2 C2F 105.6(7) . . ?
F5 C2F F6 113.2(13) . . ?
F5 C2F F4 109.4(16) . . ?
F6 C2F F4 107.1(12) . . ?
F5 C2F S2 111.7(12) . . ?
F6 C2F S2 107.8(11) . . ?
F4 C2F S2 107.3(10) . . ?
N2 C2N Ag1 170.6(5) . . ?
C2N N2 Eu1 161.6(4) . 1_455 ?



# 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_YbAg
_database_code_depnum_ccdc_archive 'CCDC 2454865'
loop_
_audit_author_name
_audit_author_address
'Aleksander Hoffman'
;Jagiellonian University
Poland
;
_audit_update_record             
;
2025-05-28 deposited with the CCDC.	2026-02-10 downloaded from the CCDC.
;

_audit_creation_date             2024-01-19T13:28:04-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

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

_chemical_formula_moiety         '2(C77 H66 Ag N2 O6 P6 Yb), 4(C F3 O3 S), C O'
_chemical_formula_sum            'C159 H132 Ag2 F12 N4 O25 P12 S4 Yb2'
_chemical_formula_weight         3788.39

#----------------------------------------------------------------------------#
#                   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                   11.0554(4)
_cell_length_b                   14.6220(5)
_cell_length_c                   25.1213(9)
_cell_angle_alpha                86.1550(10)
_cell_angle_beta                 86.7200(10)
_cell_angle_gamma                83.4230(10)
_cell_volume                     4020.1(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    14163
_cell_measurement_theta_min      2.064
_cell_measurement_theta_max      25.026
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.207
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1900

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

_exptl_absorpt_coefficient_mu    1.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6349
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   "SADABS (Sheldrick, 1996)'"

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

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  D8Venture
_diffrn_measurement_method       ω
_diffrn_standards_number         0
_diffrn_standards_interval_time  0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_number            67892
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.064
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_full        25.026
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_reflns_Friedel_coverage         0
_reflns_number_total             14163
_reflns_number_gt                13498
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

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

_atom_sites_solution_hydrogens   geom

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+15.0514P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14163
_refine_ls_number_parameters     1000
_refine_ls_number_restraints     8
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.086
_refine_ls_wR_factor_gt          0.0848
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.689
_refine_diff_density_min         -2.2
_refine_diff_density_rms         0.107

#----------------------------------------------------------------------------#
#                   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'
Ag Ag -0.8971 1.1015 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.385 5.5486 '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'

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
Yb1 Yb 0.37209(2) 0.60265(2) 0.23312(2) 0.01071(5) Uani 1 1 d . . . . .
Ag1 Ag -0.11634(2) 0.55282(2) 0.20697(2) 0.02003(8) Uani 1 1 d . . . . .
P2 P 0.33156(8) 0.77954(6) 0.12755(4) 0.01428(18) Uani 1 1 d . . . . .
P6 P 0.17161(8) 0.72229(6) 0.32756(4) 0.01323(18) Uani 1 1 d . . . . .
P3 P 0.39140(8) 0.42196(6) 0.14170(4) 0.01364(18) Uani 1 1 d . . . . .
P1 P 0.44523(8) 0.84330(6) 0.22098(4) 0.01404(18) Uani 1 1 d . . . . .
P5 P 0.41363(8) 0.64892(6) 0.36899(3) 0.01315(18) Uani 1 1 d . . . . .
P4 P 0.33703(8) 0.36212(6) 0.25569(4) 0.01456(19) Uani 1 1 d . . . . .
S1 S 0.21149(9) 0.12865(6) 0.12981(4) 0.0214(2) Uani 1 1 d . . . . .
S2 S 0.2538(2) 0.89659(14) 0.52144(8) 0.0829(7) Uani 1 1 d . . . . .
O3 O 0.4305(2) 0.50338(16) 0.16659(10) 0.0150(5) Uani 1 1 d . . . . .
O1 O 0.4548(2) 0.74414(16) 0.24097(10) 0.0152(5) Uani 1 1 d . . . . .
O2 O 0.3348(2) 0.68674(17) 0.15647(10) 0.0168(5) Uani 1 1 d . . . . .
O4 O 0.3402(2) 0.45944(17) 0.27117(10) 0.0163(5) Uani 1 1 d . . . . .
O6 O 0.2140(2) 0.69288(17) 0.27271(9) 0.0146(5) Uani 1 1 d . . . . .
O5 O 0.4253(2) 0.59726(17) 0.31904(9) 0.0150(5) Uani 1 1 d . . . . .
F3 F 0.0764(2) 0.00632(18) 0.17658(11) 0.0355(6) Uani 1 1 d . . . . .
F2 F -0.0031(2) 0.0836(2) 0.10977(11) 0.0431(7) Uani 1 1 d . . . . .
F1 F 0.0010(3) 0.1474(2) 0.18376(13) 0.0500(8) Uani 1 1 d . . . . .
N1 N 0.1702(3) 0.5625(2) 0.20157(12) 0.0167(6) Uani 1 1 d . . . . .
O2S O 0.2720(3) 0.1293(2) 0.17888(12) 0.0367(7) Uani 1 1 d . . . . .
O1S O 0.1775(3) 0.2178(2) 0.10458(13) 0.0348(7) Uani 1 1 d . . . . .
O3S O 0.2647(3) 0.0597(2) 0.09470(13) 0.0338(7) Uani 1 1 d . . . . .
N2 N -0.4062(3) 0.5685(2) 0.22588(12) 0.0162(6) Uani 1 1 d . . . . .
C33 C 0.3094(3) 0.4564(2) 0.08269(14) 0.0163(7) Uani 1 1 d . . . . .
C1N C 0.0682(3) 0.5562(3) 0.19929(15) 0.0185(8) Uani 1 1 d . . . . .
C38 C 0.1996(3) 0.4256(3) 0.07196(15) 0.0200(8) Uani 1 1 d . . . . .
H38 H 0.163859 0.382413 0.096199 0.024 Uiso 1 1 calc R U . . .
C63 C 0.6555(3) 0.6679(3) 0.35047(15) 0.0189(8) Uani 1 1 d . . . . .
H63 H 0.653472 0.62403 0.324371 0.023 Uiso 1 1 calc R U . . .
C51 C 0.2963(3) 0.7462(2) 0.36570(14) 0.0156(7) Uani 1 1 d . . . . .
H51A H 0.265407 0.760377 0.402333 0.019 Uiso 1 1 calc R U . . .
H51B H 0.331769 0.801 0.349014 0.019 Uiso 1 1 calc R U . . .
C2 C 0.5856(3) 0.8716(3) 0.18741(14) 0.0179(8) Uani 1 1 d . . . . .
C58 C 0.5504(3) 0.6969(2) 0.38077(14) 0.0148(7) Uani 1 1 d . . . . .
C64 C 0.0961(3) 0.6350(2) 0.36513(14) 0.0146(7) Uani 1 1 d . . . . .
C2N C -0.3018(3) 0.5580(3) 0.21854(15) 0.0190(8) Uani 1 1 d . . . . .
C69 C 0.0814(3) 0.5539(3) 0.34132(16) 0.0199(8) Uani 1 1 d . . . . .
H69 H 0.114178 0.544343 0.306093 0.024 Uiso 1 1 calc R U . . .
C14 C 0.4655(3) 0.7875(3) 0.08473(14) 0.0198(8) Uani 1 1 d . . . . .
C39 C 0.4845(3) 0.2974(3) 0.26158(14) 0.0174(7) Uani 1 1 d . . . . .
C13 C 0.3052(4) 0.9773(3) 0.28049(16) 0.0230(8) Uani 1 1 d . . . . .
H13 H 0.243384 0.978001 0.25564 0.028 Uiso 1 1 calc R U . . .
C7 C 0.6805(4) 0.8018(3) 0.18109(16) 0.0237(8) Uani 1 1 d . . . . .
H7 H 0.67078 0.740687 0.194577 0.028 Uiso 1 1 calc R U . . .
C52 C 0.3749(3) 0.5735(3) 0.42528(14) 0.0157(7) Uani 1 1 d . . . . .
C26 C 0.2957(3) 0.3574(2) 0.18728(14) 0.0159(7) Uani 1 1 d . . . . .
H26A H 0.303981 0.29228 0.177696 0.019 Uiso 1 1 calc R U . . .
H26B H 0.209412 0.382931 0.183941 0.019 Uiso 1 1 calc R U . . .
C27 C 0.5230(3) 0.3457(2) 0.12171(14) 0.0165(7) Uani 1 1 d . . . . .
C15 C 0.5423(4) 0.7065(3) 0.07789(16) 0.0266(9) Uani 1 1 d . . . . .
H15 H 0.525254 0.650631 0.096809 0.032 Uiso 1 1 calc R U . . .
C70 C 0.0662(3) 0.8252(2) 0.32399(15) 0.0171(7) Uani 1 1 d . . . . .
C9 C 0.5053(4) 0.9211(3) 0.30979(16) 0.0244(9) Uani 1 1 d . . . . .
H9 H 0.580772 0.883818 0.304744 0.029 Uiso 1 1 calc R U . . .
C34 C 0.3618(4) 0.5187(3) 0.04653(16) 0.0232(8) Uani 1 1 d . . . . .
H34 H 0.437844 0.538715 0.0534 0.028 Uiso 1 1 calc R U . . .
C68 C 0.0191(4) 0.4874(3) 0.36900(17) 0.0261(9) Uani 1 1 d . . . . .
H68 H 0.009492 0.43187 0.352874 0.031 Uiso 1 1 calc R U . . .
C59 C 0.5530(3) 0.7626(3) 0.41841(15) 0.0199(8) Uani 1 1 d . . . . .
H59 H 0.480752 0.783373 0.438424 0.024 Uiso 1 1 calc R U . . .
C8 C 0.4147(4) 0.9217(2) 0.27334(15) 0.0183(8) Uani 1 1 d . . . . .
C3 C 0.5999(4) 0.9615(3) 0.16784(16) 0.0243(9) Uani 1 1 d . . . . .
H3 H 0.535102 1.009497 0.172049 0.029 Uiso 1 1 calc R U . . .
C1 C 0.3252(3) 0.8687(2) 0.17442(14) 0.0158(7) Uani 1 1 d . . . . .
H1A H 0.245033 0.873527 0.194309 0.019 Uiso 1 1 calc R U . . .
H1B H 0.333907 0.928738 0.154727 0.019 Uiso 1 1 calc R U . . .
C37 C 0.1422(4) 0.4583(3) 0.02544(16) 0.0236(8) Uani 1 1 d . . . . .
H37 H 0.066992 0.437535 0.017899 0.028 Uiso 1 1 calc R U . . .
C71 C -0.0099(4) 0.8381(3) 0.28105(16) 0.0236(8) Uani 1 1 d . . . . .
H71 H 0.000428 0.796645 0.2532 0.028 Uiso 1 1 calc R U . . .
C35 C 0.3036(4) 0.5513(3) 0.00072(16) 0.0275(9) Uani 1 1 d . . . . .
H35 H 0.338872 0.594728 -0.023484 0.033 Uiso 1 1 calc R U . . .
C32 C 0.6359(3) 0.3605(3) 0.13885(15) 0.0203(8) Uani 1 1 d . . . . .
H32 H 0.642964 0.409263 0.161226 0.024 Uiso 1 1 calc R U . . .
C75 C 0.0528(4) 0.8873(3) 0.36391(16) 0.0221(8) Uani 1 1 d . . . . .
H75 H 0.105791 0.879196 0.392748 0.027 Uiso 1 1 calc R U . . .
C20 C 0.2019(3) 0.7984(3) 0.08644(15) 0.0192(8) Uani 1 1 d . . . . .
C65 C 0.0484(3) 0.6490(3) 0.41685(15) 0.0211(8) Uani 1 1 d . . . . .
H65 H 0.058983 0.704027 0.433293 0.025 Uiso 1 1 calc R U . . .
C46 C 0.1220(4) 0.2785(3) 0.27811(18) 0.0271(9) Uani 1 1 d . . . . .
H46 H 0.106293 0.288331 0.241266 0.032 Uiso 1 1 calc R U . . .
C62 C 0.7634(4) 0.7039(3) 0.35892(16) 0.0246(9) Uani 1 1 d . . . . .
H62 H 0.835674 0.684204 0.33857 0.03 Uiso 1 1 calc R U . . .
C53 C 0.3605(4) 0.4832(3) 0.41645(16) 0.0235(8) Uani 1 1 d . . . . .
H53 H 0.369633 0.462356 0.381288 0.028 Uiso 1 1 calc R U . . .
C25 C 0.1284(4) 0.7272(3) 0.08644(17) 0.0265(9) Uani 1 1 d . . . . .
H25 H 0.143102 0.673715 0.109821 0.032 Uiso 1 1 calc R U . . .
C40 C 0.5792(4) 0.3415(3) 0.27822(16) 0.0229(8) Uani 1 1 d . . . . .
H40 H 0.564261 0.403255 0.28864 0.028 Uiso 1 1 calc R U . . .
C67 C -0.0293(4) 0.5016(3) 0.42013(17) 0.0276(9) Uani 1 1 d . . . . .
H67 H -0.072766 0.456051 0.438931 0.033 Uiso 1 1 calc R U . . .
C44 C 0.5048(4) 0.2060(3) 0.24775(16) 0.0237(8) Uani 1 1 d . . . . .
H44 H 0.439284 0.175529 0.237346 0.028 Uiso 1 1 calc R U . . .
C31 C 0.7390(4) 0.3027(3) 0.12283(16) 0.0237(8) Uani 1 1 d . . . . .
H31 H 0.816668 0.311772 0.134615 0.028 Uiso 1 1 calc R U . . .
O5S O 0.2767(4) 0.8468(3) 0.47439(16) 0.0638(12) Uani 1 1 d . . . . .
C60 C 0.6621(4) 0.7975(3) 0.42644(16) 0.0225(8) Uani 1 1 d . . . . .
H60 H 0.66479 0.841471 0.452383 0.027 Uiso 1 1 calc R U . . .
C28 C 0.5118(4) 0.2740(3) 0.08913(15) 0.0217(8) Uani 1 1 d . . . . .
H28 H 0.433981 0.263707 0.078033 0.026 Uiso 1 1 calc R U . . .
C10 C 0.4850(4) 0.9752(3) 0.35343(17) 0.0314(10) Uani 1 1 d . . . . .
H10 H 0.546364 0.974501 0.378496 0.038 Uiso 1 1 calc R U . . .
C12 C 0.2861(4) 1.0319(3) 0.32423(17) 0.0309(10) Uani 1 1 d . . . . .
H12 H 0.211509 1.07038 0.329039 0.037 Uiso 1 1 calc R U . . .
C61 C 0.7665(4) 0.7679(3) 0.39655(17) 0.0244(9) Uani 1 1 d . . . . .
H61 H 0.840903 0.791879 0.401996 0.029 Uiso 1 1 calc R U . . .
C6 C 0.7900(4) 0.8214(3) 0.15495(18) 0.0305(10) Uani 1 1 d . . . . .
H6 H 0.854959 0.773684 0.150487 0.037 Uiso 1 1 calc R U . . .
C55 C 0.3193(4) 0.4531(3) 0.51051(16) 0.0274(9) Uani 1 1 d . . . . .
H55 H 0.300427 0.411663 0.539764 0.033 Uiso 1 1 calc R U . . .
C45 C 0.2289(3) 0.3034(2) 0.29693(15) 0.0189(8) Uani 1 1 d . . . . .
C41 C 0.6953(4) 0.2953(3) 0.27954(19) 0.0312(10) Uani 1 1 d . . . . .
H41 H 0.760478 0.325189 0.29078 0.037 Uiso 1 1 calc R U . . .
C66 C -0.0147(4) 0.5822(3) 0.44415(16) 0.0269(9) Uani 1 1 d . . . . .
H66 H -0.047877 0.591539 0.479343 0.032 Uiso 1 1 calc R U . . .
C57 C 0.3604(4) 0.6034(3) 0.47702(15) 0.0248(9) Uani 1 1 d . . . . .
H57 H 0.3691 0.665665 0.483077 0.03 Uiso 1 1 calc R U . . .
C54 C 0.3323(4) 0.4229(3) 0.45969(17) 0.0313(10) Uani 1 1 d . . . . .
H54 H 0.322146 0.360753 0.453926 0.038 Uiso 1 1 calc R U . . .
C21 C 0.1797(4) 0.8766(3) 0.05223(16) 0.0252(9) Uani 1 1 d . . . . .
H21 H 0.22901 0.925683 0.052383 0.03 Uiso 1 1 calc R U . . .
C29 C 0.6157(4) 0.2177(3) 0.07300(16) 0.0270(9) Uani 1 1 d . . . . .
H29 H 0.60931 0.169009 0.050433 0.032 Uiso 1 1 calc R U . . .
C56 C 0.3335(4) 0.5433(3) 0.51932(16) 0.0274(9) Uani 1 1 d . . . . .
H56 H 0.324638 0.563865 0.554565 0.033 Uiso 1 1 calc R U . . .
C36 C 0.1946(4) 0.5211(3) -0.00993(16) 0.0263(9) Uani 1 1 d . . . . .
H36 H 0.155161 0.543401 -0.041615 0.032 Uiso 1 1 calc R U . . .
C43 C 0.6213(4) 0.1602(3) 0.24932(18) 0.0281(9) Uani 1 1 d . . . . .
H43 H 0.636001 0.097866 0.240016 0.034 Uiso 1 1 calc R U . . .
C5 C 0.8038(4) 0.9102(3) 0.13558(17) 0.0326(10) Uani 1 1 d . . . . .
H5 H 0.878266 0.923526 0.117603 0.039 Uiso 1 1 calc R U . . .
C19 C 0.4926(4) 0.8705(3) 0.05822(16) 0.0287(9) Uani 1 1 d . . . . .
H19 H 0.441184 0.926017 0.063667 0.034 Uiso 1 1 calc R U . . .
C30 C 0.7284(4) 0.2326(3) 0.08991(16) 0.0266(9) Uani 1 1 d . . . . .
H30 H 0.79919 0.194182 0.078714 0.032 Uiso 1 1 calc R U . . .
C11 C 0.3753(5) 1.0302(3) 0.36045(17) 0.0326(10) Uani 1 1 d . . . . .
H11 H 0.361491 1.066892 0.390467 0.039 Uiso 1 1 calc R U . . .
C72 C -0.1008(4) 0.9119(3) 0.27926(18) 0.0330(10) Uani 1 1 d . . . . .
H72 H -0.153933 0.920407 0.250482 0.04 Uiso 1 1 calc R U . . .
C4 C 0.7097(4) 0.9802(3) 0.14218(17) 0.0299(10) Uani 1 1 d . . . . .
H4 H 0.720297 1.041349 0.12906 0.036 Uiso 1 1 calc R U . . .
C49 C 0.1675(5) 0.2479(3) 0.38605(18) 0.0363(11) Uani 1 1 d . . . . .
H49 H 0.183005 0.237344 0.422885 0.044 Uiso 1 1 calc R U . . .
C47 C 0.0384(4) 0.2392(3) 0.3135(2) 0.0346(10) Uani 1 1 d . . . . .
H47 H -0.034447 0.222064 0.300593 0.042 Uiso 1 1 calc R U . . .
C48 C 0.0602(4) 0.2248(3) 0.36688(19) 0.0349(11) Uani 1 1 d . . . . .
H48 H 0.001732 0.198982 0.390787 0.042 Uiso 1 1 calc R U . . .
C74 C -0.0380(4) 0.9614(3) 0.36174(18) 0.0299(10) Uani 1 1 d . . . . .
H74 H -0.047697 1.003737 0.389158 0.036 Uiso 1 1 calc R U . . .
C42 C 0.7165(4) 0.2051(3) 0.26443(19) 0.0325(10) Uani 1 1 d . . . . .
H42 H 0.796736 0.173886 0.264453 0.039 Uiso 1 1 calc R U . . .
C24 C 0.0337(4) 0.7349(4) 0.05204(18) 0.0350(11) Uani 1 1 d . . . . .
H24 H -0.017308 0.686845 0.052145 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6442(4) 0.7085(4) 0.0431(2) 0.0412(12) Uani 1 1 d . . . . .
H16 H 0.69674 0.653344 0.037759 0.049 Uiso 1 1 calc R U . . .
C17 C 0.6697(4) 0.7895(4) 0.01621(18) 0.0451(14) Uani 1 1 d . . . . .
H17 H 0.738975 0.789824 -0.007932 0.054 Uiso 1 1 calc R U . . .
C18 C 0.5951(5) 0.8707(4) 0.02403(17) 0.0406(12) Uani 1 1 d . . . . .
H18 H 0.614382 0.926706 0.005872 0.049 Uiso 1 1 calc R U . . .
C22 C 0.0848(4) 0.8824(3) 0.01789(17) 0.0308(10) Uani 1 1 d . . . . .
H22 H 0.069673 0.935582 -0.00562 0.037 Uiso 1 1 calc R U . . .
C1F C 0.0642(4) 0.0899(3) 0.15151(17) 0.0259(9) Uani 1 1 d . . . . .
C50 C 0.2520(4) 0.2867(3) 0.35076(17) 0.0287(9) Uani 1 1 d . . . . .
H50 H 0.325986 0.301933 0.36354 0.034 Uiso 1 1 calc R U . . .
C73 C -0.1141(4) 0.9731(3) 0.31938(19) 0.0332(10) Uani 1 1 d . . . . .
H73 H -0.176145 1.023709 0.317852 0.04 Uiso 1 1 calc R U . . .
F4 F 0.3510(7) 0.8693(4) 0.61447(17) 0.141(3) Uani 1 1 d . . . . .
C23 C 0.0130(4) 0.8124(4) 0.01747(18) 0.0347(11) Uani 1 1 d . . . . .
H23 H -0.051192 0.816834 -0.006489 0.042 Uiso 1 1 calc R U . . .
O4S O 0.1347(5) 0.8851(4) 0.5474(2) 0.103(2) Uani 1 1 d . . . . .
F6 F 0.3403(10) 0.7478(5) 0.5751(2) 0.187(4) Uani 1 1 d . . . . .
F5 F 0.4728(7) 0.8376(7) 0.5486(2) 0.182(4) Uani 1 1 d . . . . .
O6S O 0.2874(8) 0.9884(5) 0.5194(3) 0.149(4) Uani 1 1 d . . . . .
C2F C 0.3614(11) 0.8362(8) 0.5672(3) 0.109(4) Uani 1 1 d . . . . .
O1M O 0.0849(6) 0.1507(5) 0.5071(2) 0.0388(15) Uani 0.5 1 d D U P . .
C1M C -0.0224(10) 0.2005(9) 0.4936(5) 0.079(4) Uani 0.5 1 d D 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
Yb1 O2 2.247(2) . ?
Yb1 O5 2.263(2) . ?
Yb1 O6 2.288(2) . ?
Yb1 O4 2.299(2) . ?
Yb1 O3 2.303(2) . ?
Yb1 O1 2.380(2) . ?
Yb1 N2 2.444(3) 1_655 ?
Yb1 N1 2.553(3) . ?
Ag1 C1N 2.044(4) . ?
Ag1 C2N 2.048(4) . ?
P2 O2 1.493(3) . ?
P2 C14 1.790(4) . ?
P2 C20 1.800(4) . ?
P2 C1 1.807(4) . ?
P6 O6 1.504(2) . ?
P6 C64 1.792(4) . ?
P6 C70 1.795(4) . ?
P6 C51 1.802(4) . ?
P3 O3 1.498(2) . ?
P3 C33 1.795(4) . ?
P3 C27 1.798(4) . ?
P3 C26 1.808(4) . ?
P1 O1 1.496(3) . ?
P1 C8 1.795(4) . ?
P1 C2 1.801(4) . ?
P1 C1 1.809(4) . ?
P5 O5 1.499(3) . ?
P5 C58 1.786(4) . ?
P5 C52 1.797(4) . ?
P5 C51 1.813(4) . ?
P4 O4 1.505(3) . ?
P4 C45 1.793(4) . ?
P4 C39 1.797(4) . ?
P4 C26 1.811(4) . ?
S1 O1S 1.431(3) . ?
S1 O3S 1.437(3) . ?
S1 O2S 1.437(3) . ?
S1 C1F 1.827(4) . ?
S2 O5S 1.425(4) . ?
S2 O6S 1.431(6) . ?
S2 O4S 1.458(5) . ?
S2 C2F 1.815(13) . ?
F3 C1F 1.333(5) . ?
F2 C1F 1.334(5) . ?
F1 C1F 1.321(5) . ?
N1 C1N 1.147(5) . ?
N2 C2N 1.152(5) . ?
C33 C38 1.389(5) . ?
C33 C34 1.393(5) . ?
C38 C37 1.392(5) . ?
C63 C62 1.391(5) . ?
C63 C58 1.392(5) . ?
C2 C7 1.387(6) . ?
C2 C3 1.395(5) . ?
C58 C59 1.396(5) . ?
C64 C65 1.393(5) . ?
C64 C69 1.393(5) . ?
C69 C68 1.383(5) . ?
C14 C15 1.390(6) . ?
C14 C19 1.398(6) . ?
C39 C40 1.389(5) . ?
C39 C44 1.393(5) . ?
C13 C8 1.389(6) . ?
C13 C12 1.394(6) . ?
C7 C6 1.394(6) . ?
C52 C53 1.382(5) . ?
C52 C57 1.393(5) . ?
C27 C32 1.388(5) . ?
C27 C28 1.393(5) . ?
C15 C16 1.388(6) . ?
C70 C75 1.388(5) . ?
C70 C71 1.396(6) . ?
C9 C10 1.387(6) . ?
C9 C8 1.394(6) . ?
C34 C35 1.381(6) . ?
C68 C67 1.382(6) . ?
C59 C60 1.392(5) . ?
C3 C4 1.388(6) . ?
C37 C36 1.387(6) . ?
C71 C72 1.388(6) . ?
C35 C36 1.376(6) . ?
C32 C31 1.395(5) . ?
C75 C74 1.391(6) . ?
C20 C21 1.391(6) . ?
C20 C25 1.392(6) . ?
C65 C66 1.387(6) . ?
C46 C47 1.390(6) . ?
C46 C45 1.391(6) . ?
C62 C61 1.379(6) . ?
C53 C54 1.396(6) . ?
C25 C24 1.385(6) . ?
C40 C41 1.381(6) . ?
C67 C66 1.389(6) . ?
C44 C43 1.384(6) . ?
C31 C30 1.379(6) . ?
C60 C61 1.384(6) . ?
C28 C29 1.393(6) . ?
C10 C11 1.386(7) . ?
C12 C11 1.376(7) . ?
C6 C5 1.378(6) . ?
C55 C54 1.373(6) . ?
C55 C56 1.380(6) . ?
C45 C50 1.391(6) . ?
C41 C42 1.387(6) . ?
C57 C56 1.374(6) . ?
C21 C22 1.387(6) . ?
C29 C30 1.384(6) . ?
C43 C42 1.386(6) . ?
C5 C4 1.384(7) . ?
C19 C18 1.382(6) . ?
C72 C73 1.382(7) . ?
C49 C48 1.389(7) . ?
C49 C50 1.393(6) . ?
C47 C48 1.375(7) . ?
C74 C73 1.384(7) . ?
C24 C23 1.386(7) . ?
C16 C17 1.373(8) . ?
C17 C18 1.385(8) . ?
C22 C23 1.366(7) . ?
F4 C2F 1.307(8) . ?
F6 C2F 1.338(11) . ?
F5 C2F 1.294(12) . ?
O1M C1M 1.366(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Yb1 O5 148.52(9) . . ?
O2 Yb1 O6 87.78(9) . . ?
O5 Yb1 O6 77.48(9) . . ?
O2 Yb1 O4 138.30(9) . . ?
O5 Yb1 O4 72.51(9) . . ?
O6 Yb1 O4 100.97(9) . . ?
O2 Yb1 O3 74.93(9) . . ?
O5 Yb1 O3 130.63(9) . . ?
O6 Yb1 O3 145.82(9) . . ?
O4 Yb1 O3 75.47(9) . . ?
O2 Yb1 O1 74.13(9) . . ?
O5 Yb1 O1 75.49(9) . . ?
O6 Yb1 O1 76.85(9) . . ?
O4 Yb1 O1 147.57(9) . . ?
O3 Yb1 O1 124.08(8) . . ?
O2 Yb1 N2 101.78(10) . 1_655 ?
O5 Yb1 N2 76.86(9) . 1_655 ?
O6 Yb1 N2 144.40(9) . 1_655 ?
O4 Yb1 N2 94.37(9) . 1_655 ?
O3 Yb1 N2 69.17(9) . 1_655 ?
O1 Yb1 N2 73.14(9) . 1_655 ?
O2 Yb1 N1 72.63(9) . . ?
O5 Yb1 N1 125.79(9) . . ?
O6 Yb1 N1 70.37(9) . . ?
O4 Yb1 N1 72.30(9) . . ?
O3 Yb1 N1 76.34(9) . . ?
O1 Yb1 N1 133.54(9) . . ?
N2 Yb1 N1 145.22(10) 1_655 . ?
C1N Ag1 C2N 175.44(15) . . ?
O2 P2 C14 110.89(17) . . ?
O2 P2 C20 109.73(17) . . ?
C14 P2 C20 107.71(17) . . ?
O2 P2 C1 110.47(15) . . ?
C14 P2 C1 107.60(18) . . ?
C20 P2 C1 110.38(17) . . ?
O6 P6 C64 111.52(16) . . ?
O6 P6 C70 111.25(16) . . ?
C64 P6 C70 107.40(16) . . ?
O6 P6 C51 112.03(15) . . ?
C64 P6 C51 107.28(17) . . ?
C70 P6 C51 107.11(17) . . ?
O3 P3 C33 111.47(16) . . ?
O3 P3 C27 109.88(16) . . ?
C33 P3 C27 106.94(17) . . ?
O3 P3 C26 112.02(15) . . ?
C33 P3 C26 108.20(17) . . ?
C27 P3 C26 108.13(17) . . ?
O1 P1 C8 113.21(16) . . ?
O1 P1 C2 111.25(16) . . ?
C8 P1 C2 105.52(17) . . ?
O1 P1 C1 110.79(15) . . ?
C8 P1 C1 107.72(17) . . ?
C2 P1 C1 108.06(17) . . ?
O5 P5 C58 112.11(16) . . ?
O5 P5 C52 109.83(16) . . ?
C58 P5 C52 109.44(16) . . ?
O5 P5 C51 112.20(15) . . ?
C58 P5 C51 105.25(17) . . ?
C52 P5 C51 107.83(17) . . ?
O4 P4 C45 111.93(16) . . ?
O4 P4 C39 110.43(16) . . ?
C45 P4 C39 108.10(17) . . ?
O4 P4 C26 112.38(16) . . ?
C45 P4 C26 106.73(18) . . ?
C39 P4 C26 107.01(17) . . ?
O1S S1 O3S 115.42(19) . . ?
O1S S1 O2S 114.9(2) . . ?
O3S S1 O2S 114.5(2) . . ?
O1S S1 C1F 102.62(19) . . ?
O3S S1 C1F 103.68(19) . . ?
O2S S1 C1F 103.38(19) . . ?
O5S S2 O6S 117.6(3) . . ?
O5S S2 O4S 112.6(3) . . ?
O6S S2 O4S 115.0(4) . . ?
O5S S2 C2F 103.1(4) . . ?
O6S S2 C2F 101.8(5) . . ?
O4S S2 C2F 104.2(5) . . ?
P3 O3 Yb1 141.22(15) . . ?
P1 O1 Yb1 143.22(15) . . ?
P2 O2 Yb1 146.56(15) . . ?
P4 O4 Yb1 140.14(15) . . ?
P6 O6 Yb1 138.72(15) . . ?
P5 O5 Yb1 144.26(15) . . ?
C1N N1 Yb1 161.8(3) . . ?
C2N N2 Yb1 173.8(3) . 1_455 ?
C38 C33 C34 119.8(3) . . ?
C38 C33 P3 124.2(3) . . ?
C34 C33 P3 116.0(3) . . ?
N1 C1N Ag1 170.9(3) . . ?
C33 C38 C37 119.5(4) . . ?
C62 C63 C58 119.1(4) . . ?
P6 C51 P5 111.29(19) . . ?
C7 C2 C3 120.1(4) . . ?
C7 C2 P1 118.6(3) . . ?
C3 C2 P1 121.3(3) . . ?
C63 C58 C59 120.4(3) . . ?
C63 C58 P5 117.9(3) . . ?
C59 C58 P5 121.7(3) . . ?
C65 C64 C69 120.1(3) . . ?
C65 C64 P6 120.7(3) . . ?
C69 C64 P6 119.2(3) . . ?
N2 C2N Ag1 174.4(3) . . ?
C68 C69 C64 120.0(4) . . ?
C15 C14 C19 120.5(4) . . ?
C15 C14 P2 117.0(3) . . ?
C19 C14 P2 122.5(3) . . ?
C40 C39 C44 120.6(4) . . ?
C40 C39 P4 118.5(3) . . ?
C44 C39 P4 120.8(3) . . ?
C8 C13 C12 119.8(4) . . ?
C2 C7 C6 120.0(4) . . ?
C53 C52 C57 119.7(3) . . ?
C53 C52 P5 118.3(3) . . ?
C57 C52 P5 122.0(3) . . ?
P3 C26 P4 111.18(19) . . ?
C32 C27 C28 120.8(3) . . ?
C32 C27 P3 118.7(3) . . ?
C28 C27 P3 120.5(3) . . ?
C16 C15 C14 119.1(4) . . ?
C75 C70 C71 120.0(4) . . ?
C75 C70 P6 122.3(3) . . ?
C71 C70 P6 117.5(3) . . ?
C10 C9 C8 119.9(4) . . ?
C35 C34 C33 120.2(4) . . ?
C69 C68 C67 120.0(4) . . ?
C60 C59 C58 119.6(4) . . ?
C13 C8 C9 119.9(4) . . ?
C13 C8 P1 123.5(3) . . ?
C9 C8 P1 116.5(3) . . ?
C4 C3 C2 119.3(4) . . ?
P2 C1 P1 110.75(19) . . ?
C36 C37 C38 120.1(4) . . ?
C72 C71 C70 119.6(4) . . ?
C36 C35 C34 120.1(4) . . ?
C27 C32 C31 119.2(4) . . ?
C70 C75 C74 120.1(4) . . ?
C21 C20 C25 120.0(4) . . ?
C21 C20 P2 122.6(3) . . ?
C25 C20 P2 117.1(3) . . ?
C66 C65 C64 119.5(4) . . ?
C47 C46 C45 119.7(4) . . ?
C61 C62 C63 120.6(4) . . ?
C52 C53 C54 119.4(4) . . ?
C24 C25 C20 119.4(4) . . ?
C41 C40 C39 119.7(4) . . ?
C68 C67 C66 120.3(4) . . ?
C43 C44 C39 119.3(4) . . ?
C30 C31 C32 120.1(4) . . ?
C61 C60 C59 119.8(4) . . ?
C29 C28 C27 119.3(4) . . ?
C11 C10 C9 120.0(4) . . ?
C11 C12 C13 120.0(4) . . ?
C62 C61 C60 120.4(4) . . ?
C5 C6 C7 119.8(4) . . ?
C54 C55 C56 120.4(4) . . ?
C46 C45 C50 119.6(4) . . ?
C46 C45 P4 123.2(3) . . ?
C50 C45 P4 117.2(3) . . ?
C40 C41 C42 119.9(4) . . ?
C65 C66 C67 120.1(4) . . ?
C56 C57 C52 120.4(4) . . ?
C55 C54 C53 120.2(4) . . ?
C22 C21 C20 119.4(4) . . ?
C30 C29 C28 119.9(4) . . ?
C57 C56 C55 119.8(4) . . ?
C35 C36 C37 120.2(4) . . ?
C44 C43 C42 120.1(4) . . ?
C6 C5 C4 120.4(4) . . ?
C18 C19 C14 119.3(5) . . ?
C31 C30 C29 120.7(4) . . ?
C12 C11 C10 120.4(4) . . ?
C73 C72 C71 120.0(4) . . ?
C5 C4 C3 120.4(4) . . ?
C48 C49 C50 119.4(4) . . ?
C48 C47 C46 120.6(4) . . ?
C47 C48 C49 120.3(4) . . ?
C73 C74 C75 119.6(4) . . ?
C43 C42 C41 120.4(4) . . ?
C25 C24 C23 120.4(4) . . ?
C17 C16 C15 120.4(5) . . ?
C16 C17 C18 120.6(4) . . ?
C19 C18 C17 120.1(5) . . ?
C23 C22 C21 120.8(4) . . ?
F1 C1F F3 108.2(3) . . ?
F1 C1F F2 107.4(3) . . ?
F3 C1F F2 106.3(3) . . ?
F1 C1F S1 111.8(3) . . ?
F3 C1F S1 112.0(3) . . ?
F2 C1F S1 110.9(3) . . ?
C45 C50 C49 120.4(4) . . ?
C72 C73 C74 120.7(4) . . ?
C22 C23 C24 119.9(4) . . ?
F5 C2F F4 108.7(8) . . ?
F5 C2F F6 107.7(11) . . ?
F4 C2F F6 105.7(8) . . ?
F5 C2F S2 111.7(7) . . ?
F4 C2F S2 112.8(9) . . ?
F6 C2F S2 109.9(7) . . ?



# END of CIF
