# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_mo_I95ABB82_0m_a
_audit_block_doi                 10.5517/ccdc.csd.cc2h57qn
_database_code_depnum_ccdc_archive 'CCDC 2298951'
loop_
_audit_author_name
_audit_author_address
'Merce Font Bardia'
;Centre Cientific i Tecnologic de la Universitat de Barcelona (CCiTUB), Universitat de Barcelona
Spain
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_mo_I95ABB82_0m_a    
;
PROBLEM: Ratio of Maximum / Minimum Residual Density
RESPONSE: The alert was mainly due to the fact that there is q peak that is 
not assigned to any element. However, when observed closely the electron 
density appears close to the lanthanide ion around 
  0.97 DY1  1.39 O6  2.24 O4  2.31 O1
Thus,such residual density is likely not come from unaccounted atom types.  
;
_vrf_PLAT971__mo_I95ABB82_0m_a   
;
PROBLEM: Ratio of Maximum / Minimum Residual Density
RESPONSE: The alert was mainly due to the fact that there is q peak that is 
not assigned to any element. However, when observed closely the electron 
density appears close to the lanthanide ion around 
  1.00 DY1  1.63 O2  1.73 O3  2.13 N1
Thus,such residual density is likely not come from unaccounted atom types.  
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H62 Dy F9 N2 O6'
_chemical_formula_sum            'C58 H62 Dy F9 N2 O6'
_chemical_formula_weight         1216.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8613(12)
_cell_length_b                   14.1376(14)
_cell_length_c                   16.0565(15)
_cell_angle_alpha                106.879(4)
_cell_angle_beta                 94.113(4)
_cell_angle_gamma                94.906(4)
_cell_volume                     2769.2(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9324
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      26.45

_exptl_crystal_description       prism
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_F_000             1238
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.132
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.062
_exptl_absorpt_coefficient_mu    1.430
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5399
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64753
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.693
_diffrn_reflns_theta_max         26.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11396
_reflns_number_gt                9834
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL, Mercury 2022.1.0'
_computing_publication_material  
'Bruker SHELXTL, PLATON for Windows Taskbar v1.19'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0502P)²+4.7835P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11396
_refine_ls_number_parameters     687
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.1076
_refine_ls_wR_factor_gt          0.0998
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
O1 O 0.7227(2) 0.92572(19) 0.61326(17) 0.0226(6) Uani 1 1 d . . . . .
N1 N 0.6505(2) 0.6058(2) 0.5676(2) 0.0229(7) Uani 1 1 d . . . . .
N2 N 0.5710(2) 0.7487(2) 0.5138(2) 0.0223(7) Uani 1 1 d . . . . .
O2 O 0.8120(2) 0.75132(19) 0.56607(17) 0.0219(6) Uani 1 1 d . . . . .
O3 O 0.8123(2) 0.7270(2) 0.73181(17) 0.0258(6) Uani 1 1 d . . . . .
O4 O 0.7355(2) 0.9057(2) 0.79135(17) 0.0232(6) Uani 1 1 d . . . . .
O5 O 0.5931(2) 0.7011(2) 0.74116(17) 0.0265(6) Uani 1 1 d . . . . .
O6 O 0.5346(2) 0.8686(2) 0.70285(17) 0.0234(6) Uani 1 1 d . . . . .
F2 F 0.8378(2) 1.07008(19) 0.49362(19) 0.0437(7) Uani 1 1 d . . . . .
F3 F 0.7644(2) 1.11440(17) 0.61295(17) 0.0380(6) Uani 1 1 d . . . . .
F4 F 0.8528(2) 0.58581(18) 0.81601(19) 0.0429(7) Uani 1 1 d . . . . .
F5 F 0.9899(2) 0.6526(2) 0.7772(2) 0.0455(7) Uani 1 1 d . . . . .
F6 F 0.9602(3) 0.6968(2) 0.91140(19) 0.0605(10) Uani 1 1 d . . . . .
F7 F 0.5012(2) 0.57293(19) 0.81778(18) 0.0460(7) Uani 1 1 d . . . . .
F8 F 0.4723(2) 0.6935(2) 0.92733(18) 0.0458(7) Uani 1 1 d . . . . .
F9 F 0.6294(2) 0.6648(2) 0.90358(19) 0.0467(7) Uani 1 1 d . . . . .
C2 C 0.7765(3) 0.9406(3) 0.5545(3) 0.0235(8) Uani 1 1 d . . . . .
C12 C 0.8492(3) 0.7503(3) 0.8111(3) 0.0231(8) Uani 1 1 d . . . . .
C13 C 0.8397(3) 0.8355(3) 0.8779(3) 0.0249(8) Uani 1 1 d . . . . .
H13 H 0.871044 0.842391 0.935103 0.030 Uiso 1 1 calc R U . . .
C14 C 0.7848(3) 0.9124(3) 0.8636(2) 0.0201(8) Uani 1 1 d . . . . .
C15 C 0.7831(3) 1.0084(3) 0.9343(2) 0.0229(8) Uani 1 1 d . . . . .
C16 C 0.7140(3) 1.0745(3) 0.9207(3) 0.0269(9) Uani 1 1 d . . . . .
H16 H 0.669832 1.058058 0.867314 0.032 Uiso 1 1 calc R U . . .
C17 C 0.7092(4) 1.1637(3) 0.9841(3) 0.0330(10) Uani 1 1 d . . . . .
H17 H 0.661874 1.208173 0.974011 0.040 Uiso 1 1 calc R U . . .
C18 C 0.7726(4) 1.1887(3) 1.0620(3) 0.0339(10) Uani 1 1 d . . . . .
H18 H 0.768867 1.249985 1.105625 0.041 Uiso 1 1 calc R U . . .
C19 C 0.8413(4) 1.1241(3) 1.0760(3) 0.0348(10) Uani 1 1 d . . . . .
H19 H 0.885408 1.141453 1.129465 0.042 Uiso 1 1 calc R U . . .
C20 C 0.8469(3) 1.0340(3) 1.0132(3) 0.0300(9) Uani 1 1 d . . . . .
H20 H 0.894261 0.989831 1.023934 0.036 Uiso 1 1 calc R U . . .
C21 C 0.5355(3) 0.6668(3) 0.8646(3) 0.0292(9) Uani 1 1 d . . . . .
C22 C 0.5418(3) 0.7350(3) 0.8051(3) 0.0255(8) Uani 1 1 d . . . . .
C23 C 0.4953(3) 0.8213(3) 0.8273(3) 0.0257(8) Uani 1 1 d . . . . .
H23 H 0.462904 0.838533 0.880177 0.031 Uiso 1 1 calc R U . . .
C24 C 0.4937(3) 0.8861(3) 0.7743(3) 0.0238(8) Uani 1 1 d . . . . .
C25 C 0.4404(3) 0.9785(3) 0.8025(3) 0.0243(8) Uani 1 1 d . . . . .
C26 C 0.4205(3) 1.0308(3) 0.7423(3) 0.0320(9) Uani 1 1 d . . . . .
H26 H 0.439543 1.006385 0.684508 0.038 Uiso 1 1 calc R U . . .
C27 C 0.3735(4) 1.1172(3) 0.7661(3) 0.0377(11) Uani 1 1 d . . . . .
H27 H 0.359742 1.151799 0.724571 0.045 Uiso 1 1 calc R U . . .
C28 C 0.3459(4) 1.1543(3) 0.8511(3) 0.0389(11) Uani 1 1 d . . . . .
H28 H 0.313605 1.214068 0.867446 0.047 Uiso 1 1 calc R U . . .
C29 C 0.3658(4) 1.1039(3) 0.9112(3) 0.0355(10) Uani 1 1 d . . . . .
H29 H 0.347841 1.129400 0.969254 0.043 Uiso 1 1 calc R U . . .
C30 C 0.4117(3) 1.0162(3) 0.8871(3) 0.0312(9) Uani 1 1 d . . . . .
H30 H 0.423868 0.981245 0.928620 0.037 Uiso 1 1 calc R U . . .
C31 C 0.5283(3) 0.8217(3) 0.4909(3) 0.0274(9) Uani 1 1 d . . . . .
H31 H 0.531761 0.885030 0.533251 0.033 Uiso 1 1 calc R U . . .
C32 C 0.4794(3) 0.8090(3) 0.4085(3) 0.0274(9) Uani 1 1 d . . . . .
H32 H 0.450030 0.862894 0.395050 0.033 Uiso 1 1 calc R U . . .
C33 C 0.4734(3) 0.7171(3) 0.3450(3) 0.0261(8) Uani 1 1 d . . . . .
C34 C 0.5167(3) 0.6412(3) 0.3689(3) 0.0251(8) Uani 1 1 d . . . . .
H34 H 0.513149 0.577006 0.327671 0.030 Uiso 1 1 calc R U . . .
C35 C 0.5655(3) 0.6588(3) 0.4535(2) 0.0210(8) Uani 1 1 d . . . . .
C36 C 0.6125(3) 0.5800(3) 0.4826(2) 0.0213(8) Uani 1 1 d . . . . .
C37 C 0.6173(3) 0.4847(3) 0.4268(3) 0.0243(8) Uani 1 1 d . . . . .
H37 H 0.589349 0.468525 0.367373 0.029 Uiso 1 1 calc R U . . .
C38 C 0.6619(3) 0.4134(3) 0.4563(3) 0.0250(8) Uani 1 1 d . . . . .
C39 C 0.6994(3) 0.4412(3) 0.5446(3) 0.0267(9) Uani 1 1 d . . . . .
H39 H 0.730173 0.394878 0.568560 0.032 Uiso 1 1 calc R U . . .
C40 C 0.6916(3) 0.5363(3) 0.5970(3) 0.0256(8) Uani 1 1 d . . . . .
H40 H 0.716854 0.553353 0.657158 0.031 Uiso 1 1 calc R U . . .
C41 C 0.6703(3) 0.3111(3) 0.3971(3) 0.0290(9) Uani 1 1 d . . . . .
H41A H 0.632492 0.303537 0.339177 0.035 Uiso 1 1 calc R U . . .
H41B H 0.635353 0.261481 0.421546 0.035 Uiso 1 1 calc R U . . .
C42 C 0.7833(3) 0.2893(3) 0.3849(3) 0.0302(9) Uani 1 1 d . . . . .
H42A H 0.823054 0.302176 0.442914 0.036 Uiso 1 1 calc R U . . .
H42B H 0.816618 0.334667 0.355264 0.036 Uiso 1 1 calc R U . . .
C43 C 0.7891(3) 0.1817(3) 0.3308(3) 0.0275(9) Uani 1 1 d . . . . .
H43A H 0.752362 0.170408 0.271855 0.033 Uiso 1 1 calc R U . . .
H43B H 0.751577 0.136851 0.358702 0.033 Uiso 1 1 calc R U . . .
C44 C 0.9011(3) 0.1544(3) 0.3211(3) 0.0312(9) Uani 1 1 d . . . . .
H44A H 0.935962 0.193156 0.286521 0.037 Uiso 1 1 calc R U . . .
H44B H 0.940652 0.173206 0.379747 0.037 Uiso 1 1 calc R U . . .
C45 C 0.9051(3) 0.0443(3) 0.2767(3) 0.0292(9) Uani 1 1 d . . . . .
H45A H 0.855505 0.022654 0.222914 0.035 Uiso 1 1 calc R U . . .
H45B H 0.882130 0.006161 0.316250 0.035 Uiso 1 1 calc R U . . .
C46 C 1.0149(3) 0.0205(4) 0.2527(3) 0.0349(10) Uani 1 1 d . . . . .
H46A H 1.031956 0.048923 0.205106 0.042 Uiso 1 1 calc R U . . .
H46B H 1.066020 0.054012 0.304069 0.042 Uiso 1 1 calc R U . . .
C47 C 1.0287(4) -0.0893(4) 0.2235(3) 0.0384(11) Uani 1 1 d . . . . .
H47A H 1.103495 -0.096326 0.215077 0.046 Uiso 1 1 calc R U . . .
H47B H 1.011370 -0.117824 0.270962 0.046 Uiso 1 1 calc R U . . .
C48 C 0.9626(4) -0.1496(4) 0.1400(3) 0.0407(11) Uani 1 1 d . . . . .
H48A H 0.887932 -0.140260 0.146934 0.049 Uiso 1 1 calc R U . . .
H48B H 0.982760 -0.124220 0.091436 0.049 Uiso 1 1 calc R U . . .
C49 C 0.9746(5) -0.2595(4) 0.1163(4) 0.0556(15) Uani 1 1 d . . . . .
H49A H 0.929879 -0.294753 0.062284 0.083 Uiso 1 1 calc R U . . .
H49B H 0.953662 -0.285365 0.163743 0.083 Uiso 1 1 calc R U . . .
H49C H 1.047950 -0.269459 0.107617 0.083 Uiso 1 1 calc R U . . .
C50 C 0.4176(3) 0.6987(3) 0.2556(3) 0.0319(9) Uani 1 1 d . . . . .
H50A H 0.457562 0.656916 0.211272 0.038 Uiso 1 1 calc R U . . .
H50B H 0.413234 0.762801 0.242895 0.038 Uiso 1 1 calc R U . . .
C51 C 0.3062(3) 0.6460(3) 0.2500(3) 0.0304(9) Uani 1 1 d . . . . .
H51A H 0.311828 0.578293 0.254655 0.037 Uiso 1 1 calc R U . . .
H51B H 0.271156 0.682791 0.300519 0.037 Uiso 1 1 calc R U . . .
C52 C 0.2380(4) 0.6378(3) 0.1662(3) 0.0328(10) Uani 1 1 d . . . . .
H52A H 0.166710 0.607649 0.169771 0.039 Uiso 1 1 calc R U . . .
H52B H 0.231915 0.705474 0.161615 0.039 Uiso 1 1 calc R U . . .
C53 C 0.2797(4) 0.5764(4) 0.0843(3) 0.0336(10) Uani 1 1 d . . . . .
H53A H 0.293387 0.511223 0.091453 0.040 Uiso 1 1 calc R U . . .
H53B H 0.347248 0.610620 0.076817 0.040 Uiso 1 1 calc R U . . .
C54 C 0.2038(4) 0.5590(3) 0.0012(3) 0.0338(10) Uani 1 1 d . . . . .
H54A H 0.138257 0.520101 0.006661 0.041 Uiso 1 1 calc R U . . .
H54B H 0.185819 0.623989 -0.003595 0.041 Uiso 1 1 calc R U . . .
C55 C 0.2491(4) 0.5046(4) -0.0807(3) 0.0348(10) Uani 1 1 d . . . . .
H55A H 0.261450 0.437486 -0.077585 0.042 Uiso 1 1 calc R U . . .
H55B H 0.318024 0.540421 -0.082790 0.042 Uiso 1 1 calc R U . . .
C56 C 0.1805(4) 0.4936(4) -0.1652(3) 0.0367(10) Uani 1 1 d . . . . .
H56A H 0.162655 0.560188 -0.165808 0.044 Uiso 1 1 calc R U . . .
H56B H 0.114186 0.452281 -0.165720 0.044 Uiso 1 1 calc R U . . .
C57 C 0.2317(4) 0.4467(4) -0.2482(3) 0.0475(13) Uani 1 1 d . . . . .
H57A H 0.183665 0.445703 -0.299533 0.057 Uiso 1 1 calc R U . . .
H57B H 0.296790 0.489388 -0.248436 0.057 Uiso 1 1 calc R U . . .
C58 C 0.2583(4) 0.3429(4) -0.2581(3) 0.0497(14) Uani 1 1 d . . . . .
H58A H 0.276429 0.313110 -0.317588 0.075 Uiso 1 1 calc R U . . .
H58B H 0.197693 0.302871 -0.247119 0.075 Uiso 1 1 calc R U . . .
H58C H 0.318098 0.344957 -0.215922 0.075 Uiso 1 1 calc R U . . .
C3 C 0.8412(3) 0.8807(3) 0.5042(3) 0.0256(8) Uani 1 1 d . . . . .
H3 H 0.876945 0.903713 0.462842 0.031 Uiso 1 1 calc R U . . .
C4 C 0.8564(3) 0.7853(3) 0.5122(2) 0.0214(8) Uani 1 1 d . . . . .
C5 C 0.9269(3) 0.7207(3) 0.4568(2) 0.0213(8) Uani 1 1 d . . . . .
C6 C 0.9854(3) 0.7515(3) 0.3979(3) 0.0275(9) Uani 1 1 d . . . . .
H6 H 0.982653 0.816566 0.392959 0.033 Uiso 1 1 calc R U . . .
C7 C 1.0478(3) 0.6880(3) 0.3463(3) 0.0313(9) Uani 1 1 d . . . . .
H7 H 1.087638 0.709626 0.306343 0.038 Uiso 1 1 calc R U . . .
C8 C 1.0518(3) 0.5937(3) 0.3531(3) 0.0292(9) Uani 1 1 d . . . . .
H8 H 1.094393 0.550161 0.317593 0.035 Uiso 1 1 calc R U . . .
C9 C 0.9940(3) 0.5617(3) 0.4116(3) 0.0306(9) Uani 1 1 d . . . . .
H9 H 0.996893 0.496374 0.415987 0.037 Uiso 1 1 calc R U . . .
C10 C 0.9324(3) 0.6251(3) 0.4634(3) 0.0251(8) Uani 1 1 d . . . . .
H10 H 0.893422 0.603428 0.503871 0.030 Uiso 1 1 calc R U . . .
C11 C 0.9140(4) 0.6719(3) 0.8301(3) 0.0342(10) Uani 1 1 d . . . . .
C1 C 0.7639(3) 1.0415(3) 0.5384(3) 0.0302(9) Uani 1 1 d . . . . .
Dy1 Dy 0.68212(2) 0.78605(2) 0.65924(2) 0.02073(7) Uani 1 1 d . . . . .
F1 F 0.6711(2) 1.0364(2) 0.49222(18) 0.0430(7) Uani 1 1 d . . . . .


_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
O1 C2 1.264(5) . ?
O1 Dy1 2.333(3) . ?
N1 C40 1.338(5) . ?
N1 C36 1.349(5) . ?
N1 Dy1 2.526(3) . ?
N2 C31 1.338(5) . ?
N2 C35 1.349(5) . ?
N2 Dy1 2.540(3) . ?
O2 C4 1.253(5) . ?
O2 Dy1 2.311(3) . ?
O3 C12 1.264(5) . ?
O3 Dy1 2.320(3) . ?
O4 C14 1.256(5) . ?
O4 Dy1 2.311(3) . ?
O5 C22 1.260(5) . ?
O5 Dy1 2.320(3) . ?
O6 C24 1.265(5) . ?
O6 Dy1 2.355(3) . ?
F2 C1 1.337(5) . ?
F3 C1 1.333(5) . ?
F4 C11 1.344(5) . ?
F5 C11 1.334(6) . ?
F6 C11 1.329(5) . ?
F7 C21 1.339(5) . ?
F8 C21 1.330(5) . ?
F9 C21 1.326(5) . ?
C2 C3 1.372(6) . ?
C2 C1 1.540(6) . ?
C12 C13 1.382(5) . ?
C12 C11 1.528(6) . ?
C13 C14 1.411(5) . ?
C14 C15 1.498(5) . ?
C15 C20 1.394(6) . ?
C15 C16 1.395(6) . ?
C16 C17 1.381(6) . ?
C17 C18 1.379(6) . ?
C18 C19 1.376(7) . ?
C19 C20 1.388(6) . ?
C21 C22 1.542(6) . ?
C22 C23 1.370(6) . ?
C23 C24 1.420(6) . ?
C24 C25 1.495(5) . ?
C25 C30 1.397(6) . ?
C25 C26 1.399(6) . ?
C26 C27 1.376(6) . ?
C27 C28 1.395(7) . ?
C28 C29 1.378(7) . ?
C29 C30 1.384(6) . ?
C31 C32 1.379(6) . ?
C32 C33 1.391(6) . ?
C33 C34 1.385(6) . ?
C33 C50 1.500(5) . ?
C34 C35 1.398(5) . ?
C35 C36 1.484(6) . ?
C36 C37 1.393(5) . ?
C37 C38 1.380(6) . ?
C38 C39 1.394(6) . ?
C38 C41 1.500(5) . ?
C39 C40 1.380(6) . ?
C41 C42 1.527(6) . ?
C42 C43 1.527(5) . ?
C43 C44 1.530(6) . ?
C44 C45 1.519(6) . ?
C45 C46 1.529(6) . ?
C46 C47 1.516(7) . ?
C47 C48 1.515(7) . ?
C48 C49 1.512(7) . ?
C50 C51 1.541(6) . ?
C51 C52 1.522(6) . ?
C52 C53 1.513(6) . ?
C53 C54 1.540(6) . ?
C54 C55 1.503(6) . ?
C55 C56 1.525(6) . ?
C56 C57 1.529(7) . ?
C57 C58 1.502(8) . ?
C3 C4 1.420(6) . ?
C4 C5 1.493(5) . ?
C5 C6 1.392(6) . ?
C5 C10 1.393(5) . ?
C6 C7 1.386(6) . ?
C7 C8 1.373(6) . ?
C8 C9 1.389(6) . ?
C9 C10 1.382(6) . ?
C1 F1 1.344(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
C2 O1 Dy1 132.9(2) . . ?
C40 N1 C36 117.7(3) . . ?
C40 N1 Dy1 119.7(2) . . ?
C36 N1 Dy1 121.1(3) . . ?
C31 N2 C35 118.3(3) . . ?
C31 N2 Dy1 120.3(3) . . ?
C35 N2 Dy1 120.8(2) . . ?
C4 O2 Dy1 140.0(2) . . ?
C12 O3 Dy1 132.8(2) . . ?
C14 O4 Dy1 138.6(2) . . ?
C22 O5 Dy1 128.8(3) . . ?
C24 O6 Dy1 130.3(3) . . ?
O1 C2 C3 129.7(4) . . ?
O1 C2 C1 112.9(3) . . ?
C3 C2 C1 117.4(4) . . ?
O3 C12 C13 128.5(4) . . ?
O3 C12 C11 112.4(3) . . ?
C13 C12 C11 119.1(4) . . ?
C12 C13 C14 121.8(4) . . ?
O4 C14 C13 122.6(3) . . ?
O4 C14 C15 115.9(3) . . ?
C13 C14 C15 121.5(3) . . ?
C20 C15 C16 118.7(4) . . ?
C20 C15 C14 122.9(4) . . ?
C16 C15 C14 118.4(3) . . ?
C17 C16 C15 120.5(4) . . ?
C18 C17 C16 120.5(4) . . ?
C19 C18 C17 119.4(4) . . ?
C18 C19 C20 120.9(4) . . ?
C19 C20 C15 119.9(4) . . ?
F9 C21 F8 106.9(4) . . ?
F9 C21 F7 106.7(4) . . ?
F8 C21 F7 106.9(3) . . ?
F9 C21 C22 111.0(3) . . ?
F8 C21 C22 114.1(3) . . ?
F7 C21 C22 110.9(3) . . ?
O5 C22 C23 129.0(4) . . ?
O5 C22 C21 111.9(3) . . ?
C23 C22 C21 119.1(4) . . ?
C22 C23 C24 122.6(4) . . ?
O6 C24 C23 122.7(4) . . ?
O6 C24 C25 117.8(4) . . ?
C23 C24 C25 119.4(4) . . ?
C30 C25 C26 118.5(4) . . ?
C30 C25 C24 122.7(4) . . ?
C26 C25 C24 118.8(4) . . ?
C27 C26 C25 120.6(4) . . ?
C26 C27 C28 120.2(5) . . ?
C29 C28 C27 119.8(4) . . ?
C28 C29 C30 120.2(4) . . ?
C29 C30 C25 120.8(4) . . ?
N2 C31 C32 123.0(4) . . ?
C31 C32 C33 119.8(4) . . ?
C34 C33 C32 117.4(4) . . ?
C34 C33 C50 120.8(4) . . ?
C32 C33 C50 121.7(4) . . ?
C33 C34 C35 120.1(4) . . ?
N2 C35 C34 121.5(4) . . ?
N2 C35 C36 116.2(3) . . ?
C34 C35 C36 122.3(3) . . ?
N1 C36 C37 121.3(4) . . ?
N1 C36 C35 115.8(3) . . ?
C37 C36 C35 122.9(3) . . ?
C38 C37 C36 121.3(4) . . ?
C37 C38 C39 116.6(4) . . ?
C37 C38 C41 122.3(4) . . ?
C39 C38 C41 121.2(4) . . ?
C40 C39 C38 119.7(4) . . ?
N1 C40 C39 123.5(4) . . ?
C38 C41 C42 113.3(3) . . ?
C41 C42 C43 111.8(3) . . ?
C42 C43 C44 113.9(3) . . ?
C45 C44 C43 112.9(3) . . ?
C44 C45 C46 112.5(4) . . ?
C47 C46 C45 115.0(4) . . ?
C48 C47 C46 114.9(4) . . ?
C49 C48 C47 112.9(4) . . ?
C33 C50 C51 110.4(3) . . ?
C52 C51 C50 114.1(4) . . ?
C53 C52 C51 113.7(4) . . ?
C52 C53 C54 113.1(4) . . ?
C55 C54 C53 112.7(4) . . ?
C54 C55 C56 114.5(4) . . ?
C55 C56 C57 114.0(4) . . ?
C58 C57 C56 114.5(4) . . ?
C2 C3 C4 122.0(4) . . ?
O2 C4 C3 121.8(4) . . ?
O2 C4 C5 116.8(3) . . ?
C3 C4 C5 121.4(4) . . ?
C6 C5 C10 118.9(4) . . ?
C6 C5 C4 122.7(4) . . ?
C10 C5 C4 118.4(4) . . ?
C7 C6 C5 120.6(4) . . ?
C8 C7 C6 119.8(4) . . ?
C7 C8 C9 120.4(4) . . ?
C10 C9 C8 119.8(4) . . ?
C9 C10 C5 120.5(4) . . ?
F6 C11 F5 106.6(4) . . ?
F6 C11 F4 107.5(4) . . ?
F5 C11 F4 106.6(3) . . ?
F6 C11 C12 114.3(4) . . ?
F5 C11 C12 111.6(4) . . ?
F4 C11 C12 110.0(4) . . ?
F3 C1 F2 107.2(4) . . ?
F3 C1 F1 106.7(3) . . ?
F2 C1 F1 106.9(4) . . ?
F3 C1 C2 112.0(3) . . ?
F2 C1 C2 113.9(3) . . ?
F1 C1 C2 109.8(3) . . ?
O4 Dy1 O2 114.47(9) . . ?
O4 Dy1 O5 85.61(10) . . ?
O2 Dy1 O5 134.85(9) . . ?
O4 Dy1 O3 72.13(9) . . ?
O2 Dy1 O3 73.79(9) . . ?
O5 Dy1 O3 75.23(10) . . ?
O4 Dy1 O1 78.82(9) . . ?
O2 Dy1 O1 72.26(9) . . ?
O5 Dy1 O1 152.83(9) . . ?
O3 Dy1 O1 119.72(10) . . ?
O4 Dy1 O6 73.40(9) . . ?
O2 Dy1 O6 150.05(9) . . ?
O5 Dy1 O6 72.48(9) . . ?
O3 Dy1 O6 133.90(9) . . ?
O1 Dy1 O6 81.74(9) . . ?
O4 Dy1 N1 150.38(10) . . ?
O2 Dy1 N1 70.65(10) . . ?
O5 Dy1 N1 73.36(10) . . ?
O3 Dy1 N1 82.31(10) . . ?
O1 Dy1 N1 128.20(10) . . ?
O6 Dy1 N1 117.74(10) . . ?
O4 Dy1 N2 144.62(10) . . ?
O2 Dy1 N2 80.74(10) . . ?
O5 Dy1 N2 106.46(10) . . ?
O3 Dy1 N2 142.70(10) . . ?
O1 Dy1 N2 75.95(10) . . ?
O6 Dy1 N2 78.73(9) . . ?
N1 Dy1 N2 63.53(10) . . ?

_refine_diff_density_max         2.950
_refine_diff_density_min         -1.608
_refine_diff_density_rms         0.115



####################################################################### 
# 
# 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_mo_I95ABB83_0m_a
_audit_block_doi                 10.5517/ccdc.csd.cc2h57rp
_database_code_depnum_ccdc_archive 'CCDC 2298952'
loop_
_audit_author_name
_audit_author_address
'Merce Font Bardia'
;Centre Cientific i Tecnologic de la Universitat de Barcelona (CCiTUB), Universitat de Barcelona
Spain
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_mo_I95ABB83_0m_a    
;
PROBLEM: Ratio of Maximum / Minimum Residual Density
RESPONSE: The alert was mainly due to the fact that there is q peak that is 
not assigned to any element. However, when observed closely the electron 
density appears too far from the Carbon ion around 
  1.699 C57
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H62 F9 N2 O6 Yb'
_chemical_formula_sum            'C58 H62 F9 N2 O6 Yb'
_chemical_formula_weight         1227.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8760(8)
_cell_length_b                   14.2205(9)
_cell_length_c                   15.9478(10)
_cell_angle_alpha                107.041(2)
_cell_angle_beta                 93.862(2)
_cell_angle_gamma                94.880(2)
_cell_volume                     2768.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9565
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      30.57

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_F_000             1246
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.265
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.770
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5156
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            143148
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.982
_diffrn_reflns_theta_max         30.623
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17018
_reflns_number_gt                15400
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL, Mercury 2022.1.0'
_computing_publication_material  
'Bruker SHELXTL, PLATON for Windows Taskbarv 1.19'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+8.4204P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17018
_refine_ls_number_parameters     687
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0373
_refine_ls_wR_factor_ref         0.0863
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
F3 F 0.0418(2) 0.30347(17) 0.09007(15) 0.0608(8) Uani 1 1 d . . . . .
F4 F 0.4986(2) 0.42629(15) 0.18284(14) 0.0476(6) Uani 1 1 d . . . . .
F5 F 0.37118(18) 0.33567(19) 0.09518(16) 0.0474(5) Uani 1 1 d . . . . .
F6 F 0.5283(2) 0.30620(17) 0.07210(14) 0.0467(6) Uani 1 1 d . . . . .
F7 F 0.32979(17) -0.03422(16) 0.50510(14) 0.0410(5) Uani 1 1 d . . . . .
F8 F 0.23897(17) -0.11126(14) 0.38201(13) 0.0371(4) Uani 1 1 d . . . . .
F9 F 0.16297(19) -0.06914(16) 0.50141(15) 0.0442(5) Uani 1 1 d . . . . .
N1 N 0.42715(17) 0.25031(18) 0.48339(14) 0.0209(4) Uani 1 1 d . . . . .
N2 N 0.34920(17) 0.39249(17) 0.43037(14) 0.0207(4) Uani 1 1 d . . . . .
C1 C 0.0881(3) 0.3284(2) 0.1715(2) 0.0312(6) Uani 1 1 d . . . . .
Yb1 Yb 0.31807(2) 0.21533(2) 0.34061(2) 0.01902(3) Uani 1 1 d . . . . .
O2 O 0.26634(14) 0.09699(15) 0.21073(12) 0.0207(4) Uani 1 1 d . . . . .
O3 O 0.27862(15) 0.07729(15) 0.38372(12) 0.0220(4) Uani 1 1 d . . . . .
O4 O 0.19115(14) 0.25050(14) 0.43368(12) 0.0201(4) Uani 1 1 d . . . . .
O5 O 0.40403(16) 0.29829(16) 0.25889(13) 0.0245(4) Uani 1 1 d . . . . .
O6 O 0.46304(14) 0.13384(15) 0.29852(12) 0.0219(4) Uani 1 1 d . . . . .
F2 F 0.01257(17) 0.34812(18) 0.22531(17) 0.0469(5) Uani 1 1 d . . . . .
O1 O 0.18943(15) 0.27358(15) 0.27034(12) 0.0221(4) Uani 1 1 d . . . . .
C00W C 0.3015(2) 0.5570(2) 0.45313(19) 0.0251(5) Uani 1 1 d . . . . .
H00W H 0.271694 0.603352 0.428907 0.030 Uiso 1 1 calc R U . . .
C2 C 0.1528(2) 0.2501(2) 0.19043(17) 0.0209(5) Uani 1 1 d . . . . .
C11 C 0.2379(3) -0.0393(2) 0.4574(2) 0.0292(6) Uani 1 1 d . . . . .
C12 C 0.2247(2) 0.0607(2) 0.44220(17) 0.0206(5) Uani 1 1 d . . . . .
C13 C 0.1599(2) 0.1207(2) 0.49443(18) 0.0243(5) Uani 1 1 d . . . . .
H13 H 0.124349 0.097565 0.536097 0.029 Uiso 1 1 calc R U . . .
C14 C 0.14539(19) 0.21603(19) 0.48713(16) 0.0175(4) Uani 1 1 d . . . . .
C15 C 0.07410(19) 0.27966(19) 0.54247(16) 0.0182(4) Uani 1 1 d . . . . .
C16 C 0.0683(2) 0.3752(2) 0.53637(18) 0.0243(5) Uani 1 1 d . . . . .
H16 H 0.107771 0.397233 0.496156 0.029 Uiso 1 1 calc R U . . .
C17 C 0.0052(2) 0.4383(2) 0.5887(2) 0.0292(6) Uani 1 1 d . . . . .
H17 H 0.001831 0.503263 0.584552 0.035 Uiso 1 1 calc R U . . .
C18 C -0.0529(2) 0.4056(2) 0.64720(19) 0.0282(6) Uani 1 1 d . . . . .
H18 H -0.095751 0.448597 0.683263 0.034 Uiso 1 1 calc R U . . .
C19 C -0.0486(2) 0.3111(2) 0.6531(2) 0.0302(6) Uani 1 1 d . . . . .
H19 H -0.088844 0.289149 0.692924 0.036 Uiso 1 1 calc R U . . .
C20 C 0.0143(2) 0.2478(2) 0.60091(19) 0.0260(5) Uani 1 1 d . . . . .
H20 H 0.016689 0.182670 0.605043 0.031 Uiso 1 1 calc R U . . .
C21 C 0.4646(2) 0.3332(2) 0.13541(19) 0.0279(6) Uani 1 1 d . . . . .
C22 C 0.4566(2) 0.2648(2) 0.19413(17) 0.0227(5) Uani 1 1 d . . . . .
C23 C 0.5042(2) 0.1791(2) 0.17242(18) 0.0236(5) Uani 1 1 d . . . . .
H23 H 0.537614 0.161690 0.119514 0.028 Uiso 1 1 calc R U . . .
C24 C 0.50507(19) 0.1156(2) 0.22680(17) 0.0206(5) Uani 1 1 d . . . . .
C25 C 0.5587(2) 0.0241(2) 0.19998(18) 0.0219(5) Uani 1 1 d . . . . .
C26 C 0.5784(2) -0.0266(2) 0.2605(2) 0.0292(6) Uani 1 1 d . . . . .
H26 H 0.558656 -0.001687 0.318593 0.035 Uiso 1 1 calc R U . . .
C27 C 0.6266(3) -0.1132(3) 0.2378(3) 0.0375(7) Uani 1 1 d . . . . .
H27 H 0.640712 -0.146461 0.280340 0.045 Uiso 1 1 calc R U . . .
C28 C 0.6541(3) -0.1512(3) 0.1518(3) 0.0379(8) Uani 1 1 d . . . . .
H28 H 0.686509 -0.210685 0.135594 0.046 Uiso 1 1 calc R U . . .
C29 C 0.6339(3) -0.1018(2) 0.0906(2) 0.0356(7) Uani 1 1 d . . . . .
H29 H 0.651900 -0.127649 0.032043 0.043 Uiso 1 1 calc R U . . .
C30 C 0.5875(2) -0.0145(2) 0.1145(2) 0.0300(6) Uani 1 1 d . . . . .
H30 H 0.575154 0.019650 0.072404 0.036 Uiso 1 1 calc R U . . .
C31 C 0.3083(2) 0.4616(2) 0.40038(18) 0.0238(5) Uani 1 1 d . . . . .
H31 H 0.282735 0.444187 0.339935 0.029 Uiso 1 1 calc R U . . .
C32 C 0.38709(19) 0.4185(2) 0.51572(16) 0.0190(5) Uani 1 1 d . . . . .
C33 C 0.3825(2) 0.5137(2) 0.57245(17) 0.0224(5) Uani 1 1 d . . . . .
H33 H 0.409718 0.529928 0.632421 0.027 Uiso 1 1 calc R U . . .
C34 C 0.3386(2) 0.5846(2) 0.54184(19) 0.0238(5) Uani 1 1 d . . . . .
C35 C 0.43294(19) 0.3403(2) 0.54484(16) 0.0182(5) Uani 1 1 d . . . . .
C36 C 0.4700(2) 0.1781(2) 0.50668(18) 0.0239(5) Uani 1 1 d . . . . .
H36 H 0.467171 0.115291 0.463624 0.029 Uiso 1 1 calc R U . . .
C37 C 0.5183(2) 0.1896(2) 0.59008(19) 0.0264(6) Uani 1 1 d . . . . .
H37 H 0.546594 0.135626 0.603578 0.032 Uiso 1 1 calc R U . . .
C38 C 0.5246(2) 0.2818(2) 0.65382(18) 0.0252(5) Uani 1 1 d . . . . .
C39 C 0.4814(2) 0.3574(2) 0.62962(17) 0.0244(5) Uani 1 1 d . . . . .
H39 H 0.484932 0.421247 0.671175 0.029 Uiso 1 1 calc R U . . .
C40 C 0.3298(2) 0.6870(2) 0.6016(2) 0.0285(6) Uani 1 1 d . . . . .
H40A H 0.364802 0.736143 0.576913 0.034 Uiso 1 1 calc R U . . .
H40B H 0.367283 0.694712 0.659946 0.034 Uiso 1 1 calc R U . . .
C41 C 0.2169(2) 0.7091(2) 0.6142(2) 0.0284(6) Uani 1 1 d . . . . .
H41A H 0.183835 0.664916 0.644908 0.034 Uiso 1 1 calc R U . . .
H41B H 0.177164 0.695156 0.555720 0.034 Uiso 1 1 calc R U . . .
C42 C 0.2112(2) 0.8167(2) 0.66736(19) 0.0257(5) Uani 1 1 d . . . . .
H42A H 0.248369 0.829207 0.726618 0.031 Uiso 1 1 calc R U . . .
H42B H 0.248194 0.860395 0.638130 0.031 Uiso 1 1 calc R U . . .
C43 C 0.0997(2) 0.8442(2) 0.6778(2) 0.0292(6) Uani 1 1 d . . . . .
H43A H 0.060031 0.824979 0.618857 0.035 Uiso 1 1 calc R U . . .
H43B H 0.065132 0.805988 0.712987 0.035 Uiso 1 1 calc R U . . .
C44 C 0.0954(2) 0.9539(2) 0.7222(2) 0.0286(6) Uani 1 1 d . . . . .
H44A H 0.117776 0.991481 0.681930 0.034 Uiso 1 1 calc R U . . .
H44B H 0.145118 0.975993 0.776062 0.034 Uiso 1 1 calc R U . . .
C45 C -0.0144(2) 0.9770(3) 0.7469(2) 0.0344(7) Uani 1 1 d . . . . .
H45A H -0.065484 0.942373 0.695672 0.041 Uiso 1 1 calc R U . . .
H45B H -0.030480 0.949782 0.795585 0.041 Uiso 1 1 calc R U . . .
C46 C -0.0299(3) 1.0867(3) 0.7752(2) 0.0374(7) Uani 1 1 d . . . . .
H46A H -0.013268 1.114282 0.726786 0.045 Uiso 1 1 calc R U . . .
H46B H -0.104555 1.093232 0.784138 0.045 Uiso 1 1 calc R U . . .
C47 C 0.0362(3) 1.1474(3) 0.8583(3) 0.0400(8) Uani 1 1 d . . . . .
H47A H 0.110819 1.138917 0.850513 0.048 Uiso 1 1 calc R U . . .
H47B H 0.017353 1.122162 0.907537 0.048 Uiso 1 1 calc R U . . .
C48 C 0.5810(2) 0.2999(3) 0.74395(19) 0.0301(6) Uani 1 1 d . . . . .
H48A H 0.585641 0.236082 0.756351 0.036 Uiso 1 1 calc R U . . .
H48B H 0.541249 0.341418 0.789088 0.036 Uiso 1 1 calc R U . . .
C49 C 0.6920(2) 0.3524(2) 0.7488(2) 0.0302(6) Uani 1 1 d . . . . .
H49A H 0.726993 0.315538 0.697721 0.036 Uiso 1 1 calc R U . . .
H49B H 0.686121 0.419600 0.743830 0.036 Uiso 1 1 calc R U . . .
C50 C 0.7605(3) 0.3613(3) 0.8330(2) 0.0322(6) Uani 1 1 d . . . . .
H50A H 0.766452 0.294190 0.838018 0.039 Uiso 1 1 calc R U . . .
H50B H 0.831663 0.390818 0.828711 0.039 Uiso 1 1 calc R U . . .
C51 C 0.7196(3) 0.4233(3) 0.9156(2) 0.0320(6) Uani 1 1 d . . . . .
H51A H 0.652262 0.389670 0.923948 0.038 Uiso 1 1 calc R U . . .
H51B H 0.705755 0.487884 0.907970 0.038 Uiso 1 1 calc R U . . .
C52 C 0.7959(3) 0.4414(3) 0.9986(2) 0.0339(7) Uani 1 1 d . . . . .
H52A H 0.813680 0.376924 1.003954 0.041 Uiso 1 1 calc R U . . .
H52B H 0.861334 0.479408 0.992139 0.041 Uiso 1 1 calc R U . . .
C53 C 0.7510(3) 0.4973(3) 1.0817(2) 0.0372(7) Uani 1 1 d . . . . .
H53A H 0.682084 0.462469 1.084659 0.045 Uiso 1 1 calc R U . . .
H53B H 0.739274 0.563989 1.078185 0.045 Uiso 1 1 calc R U . . .
C54 C 0.8201(3) 0.5084(3) 1.1660(2) 0.0362(7) Uani 1 1 d . . . . .
H54A H 0.886312 0.549268 1.166157 0.043 Uiso 1 1 calc R U . . .
H54B H 0.837628 0.442288 1.167057 0.043 Uiso 1 1 calc R U . . .
C55 C 0.7674(3) 0.5566(3) 1.2499(2) 0.0446(9) Uani 1 1 d . . . . .
H55A H 0.701758 0.515056 1.249979 0.053 Uiso 1 1 calc R U . . .
H55B H 0.814345 0.557910 1.302128 0.053 Uiso 1 1 calc R U . . .
C56 C 0.7424(3) 0.6605(4) 1.2583(3) 0.0490(10) Uani 1 1 d . . . . .
H56A H 0.804599 0.699812 1.249323 0.073 Uiso 1 1 calc R U . . .
H56B H 0.721115 0.690655 1.317233 0.073 Uiso 1 1 calc R U . . .
H56C H 0.685239 0.658583 1.213839 0.073 Uiso 1 1 calc R U . . .
C57 C 0.0228(4) 1.2574(3) 0.8828(3) 0.0560(11) Uani 1 1 d . . . . .
H57A H 0.035496 1.281809 0.832562 0.084 Uiso 1 1 calc R U . . .
H57B H 0.072898 1.293826 0.933261 0.084 Uiso 1 1 calc R U . . .
H57C H -0.048674 1.267344 0.898395 0.084 Uiso 1 1 calc R U . . .
F1 F 0.14906(18) 0.41386(15) 0.18537(15) 0.0417(5) Uani 1 1 d . . . . .
C3 C 0.1617(2) 0.1652(2) 0.12283(18) 0.0249(5) Uani 1 1 d . . . . .
H3 H 0.130433 0.158093 0.065313 0.030 Uiso 1 1 calc R U . . .
C4 C 0.21631(19) 0.08901(19) 0.13785(16) 0.0175(4) Uani 1 1 d . . . . .
C5 C 0.2181(2) -0.0072(2) 0.06687(16) 0.0197(5) Uani 1 1 d . . . . .
C6 C 0.2860(2) -0.0731(2) 0.08168(19) 0.0266(6) Uani 1 1 d . . . . .
H6 H 0.329252 -0.056283 0.135723 0.032 Uiso 1 1 calc R U . . .
C7 C 0.2911(3) -0.1633(2) 0.0182(2) 0.0316(6) Uani 1 1 d . . . . .
H7 H 0.338072 -0.207622 0.028552 0.038 Uiso 1 1 calc R U . . .
C8 C 0.2270(3) -0.1882(2) -0.0606(2) 0.0327(7) Uani 1 1 d . . . . .
H8 H 0.230461 -0.249538 -0.104286 0.039 Uiso 1 1 calc R U . . .
C9 C 0.1583(3) -0.1238(2) -0.0752(2) 0.0340(7) Uani 1 1 d . . . . .
H9 H 0.113860 -0.141735 -0.128756 0.041 Uiso 1 1 calc R U . . .
C10 C 0.1536(3) -0.0330(2) -0.01242(19) 0.0281(6) Uani 1 1 d . . . . .
H10 H 0.106785 0.011174 -0.023310 0.034 Uiso 1 1 calc R U . . .


_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
F3 C1 1.326(4) . ?
F4 C21 1.336(4) . ?
F5 C21 1.333(4) . ?
F6 C21 1.333(3) . ?
F7 C11 1.348(4) . ?
F8 C11 1.333(4) . ?
F9 C11 1.342(4) . ?
N1 C36 1.337(4) . ?
N1 C35 1.358(3) . ?
N1 Yb1 2.488(2) . ?
N2 C31 1.342(4) . ?
N2 C32 1.346(3) . ?
N2 Yb1 2.489(2) . ?
C1 F2 1.333(4) . ?
C1 F1 1.341(4) . ?
C1 C2 1.532(4) . ?
Yb1 O2 2.2686(18) . ?
Yb1 O4 2.2704(18) . ?
Yb1 O5 2.278(2) . ?
Yb1 O1 2.283(2) . ?
Yb1 O3 2.292(2) . ?
Yb1 O6 2.3149(19) . ?
O2 C4 1.260(3) . ?
O3 C12 1.263(3) . ?
O4 C14 1.256(3) . ?
O5 C22 1.270(3) . ?
O6 C24 1.266(3) . ?
O1 C2 1.265(3) . ?
C00W C31 1.385(4) . ?
C00W C34 1.391(4) . ?
C2 C3 1.382(4) . ?
C11 C12 1.532(4) . ?
C12 C13 1.384(4) . ?
C13 C14 1.422(4) . ?
C14 C15 1.491(3) . ?
C15 C20 1.397(4) . ?
C15 C16 1.398(4) . ?
C16 C17 1.393(4) . ?
C17 C18 1.390(4) . ?
C18 C19 1.380(5) . ?
C19 C20 1.391(4) . ?
C21 C22 1.537(4) . ?
C22 C23 1.375(4) . ?
C23 C24 1.424(4) . ?
C24 C25 1.489(4) . ?
C25 C26 1.387(4) . ?
C25 C30 1.400(4) . ?
C26 C27 1.390(4) . ?
C27 C28 1.401(5) . ?
C28 C29 1.384(5) . ?
C29 C30 1.387(4) . ?
C32 C33 1.399(4) . ?
C32 C35 1.476(4) . ?
C33 C34 1.386(4) . ?
C34 C40 1.507(4) . ?
C35 C39 1.395(4) . ?
C36 C37 1.388(4) . ?
C37 C38 1.396(4) . ?
C38 C39 1.388(4) . ?
C38 C48 1.507(4) . ?
C40 C41 1.526(4) . ?
C41 C42 1.528(4) . ?
C42 C43 1.526(4) . ?
C43 C44 1.521(4) . ?
C44 C45 1.530(4) . ?
C45 C46 1.526(5) . ?
C46 C47 1.510(5) . ?
C47 C57 1.525(6) . ?
C48 C49 1.542(4) . ?
C49 C50 1.523(4) . ?
C50 C51 1.510(5) . ?
C51 C52 1.538(4) . ?
C52 C53 1.511(5) . ?
C53 C54 1.522(4) . ?
C54 C55 1.544(5) . ?
C55 C56 1.508(6) . ?
C3 C4 1.409(4) . ?
C4 C5 1.502(3) . ?
C5 C6 1.392(4) . ?
C5 C10 1.400(4) . ?
C6 C7 1.393(4) . ?
C7 C8 1.390(5) . ?
C8 C9 1.383(5) . ?
C9 C10 1.392(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C36 N1 C35 117.8(2) . . ?
C36 N1 Yb1 121.12(18) . . ?
C35 N1 Yb1 120.52(18) . . ?
C31 N2 C32 117.9(2) . . ?
C31 N2 Yb1 119.88(17) . . ?
C32 N2 Yb1 120.80(18) . . ?
F3 C1 F2 106.6(3) . . ?
F3 C1 F1 107.6(3) . . ?
F2 C1 F1 106.5(3) . . ?
F3 C1 C2 114.2(2) . . ?
F2 C1 C2 111.5(3) . . ?
F1 C1 C2 110.2(3) . . ?
O2 Yb1 O4 114.78(7) . . ?
O2 Yb1 O5 85.88(7) . . ?
O4 Yb1 O5 134.31(7) . . ?
O2 Yb1 O1 73.06(7) . . ?
O4 Yb1 O1 73.30(7) . . ?
O5 Yb1 O1 75.13(7) . . ?
O2 Yb1 O3 77.32(7) . . ?
O4 Yb1 O3 73.28(7) . . ?
O5 Yb1 O3 152.29(7) . . ?
O1 Yb1 O3 119.40(7) . . ?
O2 Yb1 O6 73.47(6) . . ?
O4 Yb1 O6 149.42(7) . . ?
O5 Yb1 O6 73.49(7) . . ?
O1 Yb1 O6 135.14(7) . . ?
O3 Yb1 O6 80.62(7) . . ?
O2 Yb1 N1 143.49(7) . . ?
O4 Yb1 N1 80.80(7) . . ?
O5 Yb1 N1 107.01(7) . . ?
O1 Yb1 N1 142.78(7) . . ?
O3 Yb1 N1 76.26(7) . . ?
O6 Yb1 N1 77.72(7) . . ?
O2 Yb1 N2 150.55(7) . . ?
O4 Yb1 N2 70.62(7) . . ?
O5 Yb1 N2 72.88(7) . . ?
O1 Yb1 N2 81.75(7) . . ?
O3 Yb1 N2 129.69(7) . . ?
O6 Yb1 N2 117.64(7) . . ?
N1 Yb1 N2 64.45(8) . . ?
C4 O2 Yb1 138.61(18) . . ?
C12 O3 Yb1 133.12(18) . . ?
C14 O4 Yb1 139.89(17) . . ?
C22 O5 Yb1 129.04(19) . . ?
C24 O6 Yb1 130.48(18) . . ?
C2 O1 Yb1 132.18(17) . . ?
C31 C00W C34 119.5(3) . . ?
O1 C2 C3 128.9(3) . . ?
O1 C2 C1 112.1(2) . . ?
C3 C2 C1 118.9(2) . . ?
F8 C11 F9 107.1(3) . . ?
F8 C11 F7 106.8(2) . . ?
F9 C11 F7 106.5(3) . . ?
F8 C11 C12 112.1(2) . . ?
F9 C11 C12 113.8(2) . . ?
F7 C11 C12 110.1(3) . . ?
O3 C12 C13 129.2(3) . . ?
O3 C12 C11 113.4(2) . . ?
C13 C12 C11 117.4(3) . . ?
C12 C13 C14 121.5(3) . . ?
O4 C14 C13 121.9(2) . . ?
O4 C14 C15 116.8(2) . . ?
C13 C14 C15 121.3(2) . . ?
C20 C15 C16 119.0(2) . . ?
C20 C15 C14 122.4(2) . . ?
C16 C15 C14 118.6(2) . . ?
C17 C16 C15 120.6(3) . . ?
C18 C17 C16 119.6(3) . . ?
C19 C18 C17 120.3(3) . . ?
C18 C19 C20 120.3(3) . . ?
C19 C20 C15 120.2(3) . . ?
F5 C21 F6 106.4(3) . . ?
F5 C21 F4 106.7(3) . . ?
F6 C21 F4 107.2(3) . . ?
F5 C21 C22 110.9(2) . . ?
F6 C21 C22 114.0(3) . . ?
F4 C21 C22 111.3(2) . . ?
O5 C22 C23 128.6(3) . . ?
O5 C22 C21 112.1(3) . . ?
C23 C22 C21 119.3(2) . . ?
C22 C23 C24 122.0(2) . . ?
O6 C24 C23 122.9(3) . . ?
O6 C24 C25 117.7(3) . . ?
C23 C24 C25 119.5(2) . . ?
C26 C25 C30 118.4(3) . . ?
C26 C25 C24 119.3(2) . . ?
C30 C25 C24 122.2(3) . . ?
C25 C26 C27 121.2(3) . . ?
C26 C27 C28 119.6(3) . . ?
C29 C28 C27 119.7(3) . . ?
C28 C29 C30 120.1(3) . . ?
C29 C30 C25 120.9(3) . . ?
N2 C31 C00W 123.3(3) . . ?
N2 C32 C33 121.6(3) . . ?
N2 C32 C35 115.6(2) . . ?
C33 C32 C35 122.8(2) . . ?
C34 C33 C32 120.5(2) . . ?
C33 C34 C00W 117.1(3) . . ?
C33 C34 C40 121.9(3) . . ?
C00W C34 C40 120.9(3) . . ?
N1 C35 C39 121.4(3) . . ?
N1 C35 C32 116.0(2) . . ?
C39 C35 C32 122.6(2) . . ?
N1 C36 C37 123.8(3) . . ?
C36 C37 C38 118.9(3) . . ?
C39 C38 C37 117.5(3) . . ?
C39 C38 C48 121.3(3) . . ?
C37 C38 C48 121.1(3) . . ?
C38 C39 C35 120.6(3) . . ?
C34 C40 C41 113.5(2) . . ?
C40 C41 C42 111.8(2) . . ?
C43 C42 C41 113.9(2) . . ?
C44 C43 C42 113.1(2) . . ?
C43 C44 C45 112.3(3) . . ?
C46 C45 C44 115.1(3) . . ?
C47 C46 C45 114.3(3) . . ?
C46 C47 C57 113.2(3) . . ?
C38 C48 C49 110.2(3) . . ?
C50 C49 C48 114.0(3) . . ?
C51 C50 C49 113.8(3) . . ?
C50 C51 C52 113.0(3) . . ?
C53 C52 C51 112.6(3) . . ?
C52 C53 C54 114.2(3) . . ?
C53 C54 C55 112.8(3) . . ?
C56 C55 C54 113.9(3) . . ?
C2 C3 C4 121.0(2) . . ?
O2 C4 C3 122.6(2) . . ?
O2 C4 C5 116.0(2) . . ?
C3 C4 C5 121.4(2) . . ?
C6 C5 C10 119.3(3) . . ?
C6 C5 C4 118.2(2) . . ?
C10 C5 C4 122.4(3) . . ?
C5 C6 C7 120.7(3) . . ?
C8 C7 C6 119.6(3) . . ?
C9 C8 C7 120.0(3) . . ?
C8 C9 C10 120.7(3) . . ?
C9 C10 C5 119.6(3) . . ?

_refine_diff_density_max         3.733
_refine_diff_density_min         -1.390
_refine_diff_density_rms         0.121



####################################################################### 
# 
# 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_mo_I95AAB84_0m_a
_audit_block_doi                 10.5517/ccdc.csd.cc2h57sq
_database_code_depnum_ccdc_archive 'CCDC 2298953'
loop_
_audit_author_name
_audit_author_address
'Merce Font Bardia'
;Centre Cientific i Tecnologic de la Universitat de Barcelona (CCiTUB), Universitat de Barcelona
Spain
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H62 Eu F9 N2 O6'
_chemical_formula_sum            'C58 H62 Eu F9 N2 O6'
_chemical_formula_weight         1206.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8601(5)
_cell_length_b                   14.0622(7)
_cell_length_c                   16.1521(7)
_cell_angle_alpha                106.558(2)
_cell_angle_beta                 94.495(2)
_cell_angle_gamma                94.606(2)
_cell_volume                     2775.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9971
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.24

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_F_000             1232
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.089
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.059
_exptl_absorpt_coefficient_mu    1.211
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6629
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            168189
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_av_R_equivalents  0.1247
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.598
_diffrn_reflns_theta_max         28.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13876
_reflns_number_gt                11063
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL, Mercury2022.1.0'
_computing_publication_material  
'Bruker SHELXTL, PLATON for Windows Taskbar v1.19'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+7.2945P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13876
_refine_ls_number_parameters     687
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0708
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
O1 O 0.53191(17) 0.87145(17) 0.70439(14) 0.0226(5) Uani 1 1 d . . . . .
N1 N 0.6488(2) 0.6061(2) 0.56570(17) 0.0227(6) Uani 1 1 d . . . . .
C1 C 0.5352(3) 0.6665(3) 0.8640(2) 0.0287(8) Uani 1 1 d . . . . .
F2 F 0.4731(2) 0.69295(17) 0.92673(15) 0.0451(6) Uani 1 1 d . . . . .
O2 O 0.59106(18) 0.70043(18) 0.74056(15) 0.0267(5) Uani 1 1 d . . . . .
N2 N 0.5691(2) 0.7498(2) 0.51176(17) 0.0239(6) Uani 1 1 d . . . . .
C2 C 0.5407(3) 0.7348(3) 0.8050(2) 0.0240(7) Uani 1 1 d . . . . .
F3 F 0.63028(18) 0.66458(19) 0.90291(16) 0.0468(6) Uani 1 1 d . . . . .
O3 O 0.73583(17) 0.90831(17) 0.79251(14) 0.0227(5) Uani 1 1 d . . . . .
C3 C 0.4937(3) 0.8216(3) 0.8276(2) 0.0253(7) Uani 1 1 d . . . . .
H3 H 0.461551 0.838215 0.880117 0.030 Uiso 1 1 calc R U . . .
F4 F 0.99119(18) 0.65402(18) 0.77992(17) 0.0469(6) Uani 1 1 d . . . . .
O4 O 0.81353(17) 0.72874(18) 0.73362(14) 0.0253(5) Uani 1 1 d . . . . .
C4 C 0.4916(2) 0.8876(3) 0.7752(2) 0.0223(7) Uani 1 1 d . . . . .
F5 F 0.85388(19) 0.58586(16) 0.81652(16) 0.0447(6) Uani 1 1 d . . . . .
O5 O 0.72320(17) 0.92874(17) 0.60975(14) 0.0235(5) Uani 1 1 d . . . . .
C5 C 0.4385(2) 0.9804(2) 0.8036(2) 0.0228(7) Uani 1 1 d . . . . .
F6 F 0.9605(2) 0.69608(19) 0.91257(16) 0.0641(9) Uani 1 1 d . . . . .
O6 O 0.81286(17) 0.75194(17) 0.56433(14) 0.0226(5) Uani 1 1 d . . . . .
C6 C 0.4181(3) 1.0338(3) 0.7445(2) 0.0297(8) Uani 1 1 d . . . . .
H6 H 0.437006 1.010022 0.687065 0.036 Uiso 1 1 calc R U . . .
F7 F 0.76792(18) 1.11744(15) 0.60820(14) 0.0388(5) Uani 1 1 d . . . . .
C7 C 0.3707(3) 1.1209(3) 0.7687(3) 0.0379(9) Uani 1 1 d . . . . .
H7 H 0.355755 1.156006 0.727639 0.045 Uiso 1 1 calc R U . . .
F8 F 0.67359(19) 1.04006(18) 0.48870(15) 0.0451(6) Uani 1 1 d . . . . .
C8 C 0.3449(3) 1.1571(3) 0.8530(3) 0.0389(9) Uani 1 1 d . . . . .
H8 H 0.313634 1.217757 0.869868 0.047 Uiso 1 1 calc R U . . .
F9 F 0.8406(2) 1.07184(17) 0.49009(16) 0.0457(6) Uani 1 1 d . . . . .
C9 C 0.3645(3) 1.1058(3) 0.9121(3) 0.0351(9) Uani 1 1 d . . . . .
H9 H 0.346524 1.130650 0.969741 0.042 Uiso 1 1 calc R U . . .
C10 C 0.4105(3) 1.0176(3) 0.8875(2) 0.0285(8) Uani 1 1 d . . . . .
H10 H 0.423187 0.981952 0.928500 0.034 Uiso 1 1 calc R U . . .
Eu1 Eu 0.68168(2) 0.78853(2) 0.65881(2) 0.02004(5) Uani 1 1 d . . . . .
F1 F 0.5014(2) 0.57221(16) 0.81845(15) 0.0448(6) Uani 1 1 d . . . . .
C11 C 0.9148(3) 0.6725(3) 0.8316(2) 0.0323(8) Uani 1 1 d . . . . .
C12 C 0.8499(3) 0.7517(3) 0.8126(2) 0.0241(7) Uani 1 1 d . . . . .
C13 C 0.8405(3) 0.8364(2) 0.8789(2) 0.0241(7) Uani 1 1 d . . . . .
H13 H 0.872064 0.842683 0.935689 0.029 Uiso 1 1 calc R U . . .
C14 C 0.7850(2) 0.9144(2) 0.8648(2) 0.0200(7) Uani 1 1 d . . . . .
C15 C 0.7830(2) 1.0092(2) 0.9355(2) 0.0211(7) Uani 1 1 d . . . . .
C16 C 0.7131(3) 1.0758(3) 0.9219(2) 0.0254(7) Uani 1 1 d . . . . .
H16 H 0.669209 1.059898 0.868641 0.030 Uiso 1 1 calc R U . . .
C17 C 0.7071(3) 1.1645(3) 0.9852(2) 0.0317(8) Uani 1 1 d . . . . .
H17 H 0.658599 1.208761 0.975522 0.038 Uiso 1 1 calc R U . . .
C18 C 0.7712(3) 1.1890(3) 1.0622(2) 0.0341(9) Uani 1 1 d . . . . .
H18 H 0.767148 1.250202 1.105575 0.041 Uiso 1 1 calc R U . . .
C19 C 0.8413(3) 1.1246(3) 1.0763(2) 0.0346(9) Uani 1 1 d . . . . .
H19 H 0.885955 1.141759 1.129263 0.042 Uiso 1 1 calc R U . . .
C20 C 0.8470(3) 1.0350(3) 1.0136(2) 0.0276(7) Uani 1 1 d . . . . .
H20 H 0.895092 0.990784 1.024053 0.033 Uiso 1 1 calc R U . . .
C21 C 0.7668(3) 1.0437(3) 0.5347(2) 0.0315(8) Uani 1 1 d . . . . .
C22 C 0.7785(3) 0.9435(3) 0.5520(2) 0.0231(7) Uani 1 1 d . . . . .
C23 C 0.8424(3) 0.8821(3) 0.5020(2) 0.0250(7) Uani 1 1 d . . . . .
H23 H 0.877783 0.904424 0.460426 0.030 Uiso 1 1 calc R U . . .
C24 C 0.8573(2) 0.7860(2) 0.5109(2) 0.0203(7) Uani 1 1 d . . . . .
C25 C 0.9267(2) 0.7209(2) 0.45574(19) 0.0198(6) Uani 1 1 d . . . . .
C26 C 0.9845(3) 0.7509(3) 0.3965(2) 0.0292(8) Uani 1 1 d . . . . .
H26 H 0.981779 0.816194 0.391118 0.035 Uiso 1 1 calc R U . . .
C27 C 1.0460(3) 0.6864(3) 0.3455(2) 0.0321(8) Uani 1 1 d . . . . .
H27 H 1.085109 0.707832 0.305317 0.039 Uiso 1 1 calc R U . . .
C28 C 1.0506(3) 0.5920(3) 0.3524(2) 0.0293(8) Uani 1 1 d . . . . .
H28 H 1.092596 0.548030 0.316943 0.035 Uiso 1 1 calc R U . . .
C29 C 0.9942(3) 0.5606(3) 0.4112(2) 0.0300(8) Uani 1 1 d . . . . .
H29 H 0.997754 0.495235 0.416295 0.036 Uiso 1 1 calc R U . . .
C30 C 0.9326(3) 0.6247(3) 0.4626(2) 0.0252(7) Uani 1 1 d . . . . .
H30 H 0.893932 0.603011 0.502874 0.030 Uiso 1 1 calc R U . . .
C31 C 0.6909(3) 0.5362(3) 0.5954(2) 0.0253(7) Uani 1 1 d . . . . .
H31 H 0.716483 0.553301 0.655131 0.030 Uiso 1 1 calc R U . . .
C32 C 0.6988(3) 0.4406(3) 0.5436(2) 0.0270(7) Uani 1 1 d . . . . .
H32 H 0.729399 0.393717 0.567589 0.032 Uiso 1 1 calc R U . . .
C33 C 0.6615(3) 0.4139(3) 0.4559(2) 0.0253(7) Uani 1 1 d . . . . .
C34 C 0.6157(2) 0.4850(3) 0.4255(2) 0.0246(7) Uani 1 1 d . . . . .
H34 H 0.587676 0.468868 0.366357 0.030 Uiso 1 1 calc R U . . .
C35 C 0.6107(2) 0.5802(2) 0.4812(2) 0.0216(7) Uani 1 1 d . . . . .
C36 C 0.5634(2) 0.6597(3) 0.4520(2) 0.0222(7) Uani 1 1 d . . . . .
C37 C 0.5149(3) 0.6423(3) 0.3683(2) 0.0260(7) Uani 1 1 d . . . . .
H37 H 0.511748 0.577932 0.327707 0.031 Uiso 1 1 calc R U . . .
C38 C 0.4710(3) 0.7188(3) 0.3436(2) 0.0266(7) Uani 1 1 d . . . . .
C39 C 0.4773(3) 0.8111(3) 0.4060(2) 0.0279(8) Uani 1 1 d . . . . .
H39 H 0.448164 0.865466 0.392242 0.034 Uiso 1 1 calc R U . . .
C40 C 0.5260(3) 0.8230(3) 0.4876(2) 0.0265(7) Uani 1 1 d . . . . .
H40 H 0.529448 0.886643 0.529400 0.032 Uiso 1 1 calc R U . . .
C41 C 0.6707(3) 0.3111(3) 0.3971(2) 0.0303(8) Uani 1 1 d . . . . .
H41A H 0.632096 0.303357 0.339636 0.036 Uiso 1 1 calc R U . . .
H41B H 0.636857 0.260977 0.421647 0.036 Uiso 1 1 calc R U . . .
C42 C 0.7836(3) 0.2898(3) 0.3846(2) 0.0293(8) Uani 1 1 d . . . . .
H42A H 0.816186 0.336496 0.355984 0.035 Uiso 1 1 calc R U . . .
H42B H 0.823658 0.301429 0.442071 0.035 Uiso 1 1 calc R U . . .
C43 C 0.7899(3) 0.1830(3) 0.3298(2) 0.0263(7) Uani 1 1 d . . . . .
H43A H 0.753869 0.173378 0.271055 0.032 Uiso 1 1 calc R U . . .
H43B H 0.751841 0.136887 0.356063 0.032 Uiso 1 1 calc R U . . .
C44 C 0.9014(3) 0.1554(3) 0.3209(2) 0.0310(8) Uani 1 1 d . . . . .
H44A H 0.940580 0.173288 0.379415 0.037 Uiso 1 1 calc R U . . .
H44B H 0.936674 0.195022 0.287320 0.037 Uiso 1 1 calc R U . . .
C45 C 0.9058(3) 0.0449(3) 0.2761(2) 0.0294(8) Uani 1 1 d . . . . .
H45A H 0.881548 0.005818 0.314410 0.035 Uiso 1 1 calc R U . . .
H45B H 0.857180 0.024358 0.221919 0.035 Uiso 1 1 calc R U . . .
C46 C 1.0150(3) 0.0208(3) 0.2541(3) 0.0354(9) Uani 1 1 d . . . . .
H46A H 1.065243 0.052810 0.306240 0.042 Uiso 1 1 calc R U . . .
H46B H 1.033718 0.050883 0.208121 0.042 Uiso 1 1 calc R U . . .
C47 C 1.0285(3) -0.0902(3) 0.2236(3) 0.0387(9) Uani 1 1 d . . . . .
H47A H 1.103285 -0.097610 0.215631 0.046 Uiso 1 1 calc R U . . .
H47B H 1.010480 -0.120276 0.269781 0.046 Uiso 1 1 calc R U . . .
C48 C 0.9625(3) -0.1477(3) 0.1399(3) 0.0409(10) Uani 1 1 d . . . . .
H48A H 0.985144 -0.122280 0.092283 0.049 Uiso 1 1 calc R U . . .
H48B H 0.888266 -0.135675 0.145796 0.049 Uiso 1 1 calc R U . . .
C49 C 0.4145(3) 0.7004(3) 0.2544(2) 0.0319(8) Uani 1 1 d . . . . .
H49A H 0.454976 0.659261 0.210517 0.038 Uiso 1 1 calc R U . . .
H49B H 0.408825 0.764772 0.241862 0.038 Uiso 1 1 calc R U . . .
C50 C 0.3045(3) 0.6464(3) 0.2488(2) 0.0308(8) Uani 1 1 d . . . . .
H50A H 0.311486 0.578488 0.253537 0.037 Uiso 1 1 calc R U . . .
H50B H 0.269136 0.682555 0.298867 0.037 Uiso 1 1 calc R U . . .
C51 C 0.2353(3) 0.6377(3) 0.1653(2) 0.0321(8) Uani 1 1 d . . . . .
H51A H 0.164532 0.606671 0.168760 0.039 Uiso 1 1 calc R U . . .
H51B H 0.227859 0.705591 0.160534 0.039 Uiso 1 1 calc R U . . .
C52 C 0.2774(3) 0.5772(3) 0.0845(2) 0.0327(8) Uani 1 1 d . . . . .
H52A H 0.291991 0.511836 0.091671 0.039 Uiso 1 1 calc R U . . .
H52B H 0.344511 0.612184 0.077312 0.039 Uiso 1 1 calc R U . . .
C53 C 0.2009(3) 0.5599(3) 0.0018(2) 0.0318(8) Uani 1 1 d . . . . .
H53A H 0.136208 0.519564 0.006615 0.038 Uiso 1 1 calc R U . . .
H53B H 0.181271 0.625046 -0.002647 0.038 Uiso 1 1 calc R U . . .
C54 C 0.2476(3) 0.5069(3) -0.0802(2) 0.0345(9) Uani 1 1 d . . . . .
H54A H 0.261189 0.439395 -0.077837 0.041 Uiso 1 1 calc R U . . .
H54B H 0.315953 0.543936 -0.081713 0.041 Uiso 1 1 calc R U . . .
C55 C 0.1786(3) 0.4970(3) -0.1637(2) 0.0341(9) Uani 1 1 d . . . . .
H55A H 0.158524 0.563693 -0.163252 0.041 Uiso 1 1 calc R U . . .
H55B H 0.113482 0.453570 -0.165436 0.041 Uiso 1 1 calc R U . . .
C56 C 0.2314(3) 0.4539(4) -0.2458(3) 0.0466(11) Uani 1 1 d . . . . .
H56A H 0.183484 0.453767 -0.296943 0.056 Uiso 1 1 calc R U . . .
H56B H 0.295714 0.498186 -0.244464 0.056 Uiso 1 1 calc R U . . .
C57 C 0.2604(3) 0.3493(4) -0.2572(3) 0.0541(13) Uani 1 1 d . . . . .
H57A H 0.278428 0.321140 -0.316439 0.081 Uiso 1 1 calc R U . . .
H57B H 0.200748 0.307724 -0.246911 0.081 Uiso 1 1 calc R U . . .
H57C H 0.320755 0.351165 -0.215569 0.081 Uiso 1 1 calc R U . . .
C024 C 0.9704(4) -0.2596(3) 0.1159(3) 0.0590(14) Uani 1 1 d . . . . .
H02A H 0.920216 -0.293746 0.065227 0.089 Uiso 1 1 calc R U . . .
H02B H 0.954407 -0.284206 0.164928 0.089 Uiso 1 1 calc R U . . .
H02C H 1.041686 -0.272735 0.102029 0.089 Uiso 1 1 calc R U . . .


_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
O1 C4 1.262(4) . ?
O1 Eu1 2.388(2) . ?
N1 C31 1.343(4) . ?
N1 C35 1.349(4) . ?
N1 Eu1 2.559(3) . ?
C1 F2 1.328(4) . ?
C1 F3 1.337(4) . ?
C1 F1 1.338(4) . ?
C1 C2 1.534(5) . ?
O2 C2 1.267(4) . ?
O2 Eu1 2.362(2) . ?
N2 C40 1.343(4) . ?
N2 C36 1.349(4) . ?
N2 Eu1 2.575(3) . ?
C2 C3 1.375(5) . ?
O3 C14 1.260(4) . ?
O3 Eu1 2.343(2) . ?
C3 C4 1.424(5) . ?
F4 C11 1.332(4) . ?
O4 C12 1.264(4) . ?
O4 Eu1 2.351(2) . ?
C4 C5 1.492(5) . ?
F5 C11 1.344(4) . ?
O5 C22 1.269(4) . ?
O5 Eu1 2.364(2) . ?
C5 C10 1.393(4) . ?
C5 C6 1.395(5) . ?
F6 C11 1.330(4) . ?
O6 C24 1.253(4) . ?
O6 Eu1 2.353(2) . ?
C6 C7 1.382(5) . ?
F7 C21 1.333(4) . ?
C7 C8 1.388(5) . ?
F8 C21 1.349(4) . ?
C8 C9 1.370(6) . ?
F9 C21 1.337(4) . ?
C9 C10 1.386(5) . ?
C11 C12 1.528(5) . ?
C12 C13 1.377(4) . ?
C13 C14 1.417(5) . ?
C14 C15 1.491(4) . ?
C15 C20 1.389(4) . ?
C15 C16 1.398(5) . ?
C16 C17 1.381(5) . ?
C17 C18 1.377(5) . ?
C18 C19 1.380(5) . ?
C19 C20 1.385(5) . ?
C21 C22 1.529(5) . ?
C22 C23 1.376(4) . ?
C23 C24 1.424(5) . ?
C24 C25 1.491(4) . ?
C25 C26 1.391(5) . ?
C25 C30 1.395(5) . ?
C26 C27 1.385(5) . ?
C27 C28 1.370(5) . ?
C28 C29 1.385(5) . ?
C29 C30 1.387(5) . ?
C31 C32 1.383(5) . ?
C32 C33 1.393(5) . ?
C33 C34 1.385(5) . ?
C33 C41 1.506(5) . ?
C34 C35 1.394(5) . ?
C35 C36 1.485(5) . ?
C36 C37 1.390(4) . ?
C37 C38 1.393(5) . ?
C38 C39 1.390(5) . ?
C38 C49 1.504(4) . ?
C39 C40 1.374(5) . ?
C41 C42 1.523(5) . ?
C42 C43 1.522(5) . ?
C43 C44 1.522(5) . ?
C44 C45 1.523(5) . ?
C45 C46 1.516(5) . ?
C46 C47 1.526(6) . ?
C47 C48 1.513(6) . ?
C48 C024 1.523(6) . ?
C49 C50 1.535(5) . ?
C50 C51 1.526(5) . ?
C51 C52 1.507(5) . ?
C52 C53 1.543(5) . ?
C53 C54 1.518(5) . ?
C54 C55 1.520(5) . ?
C55 C56 1.528(5) . ?
C56 C57 1.510(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
C4 O1 Eu1 130.7(2) . . ?
C31 N1 C35 117.7(3) . . ?
C31 N1 Eu1 118.9(2) . . ?
C35 N1 Eu1 121.9(2) . . ?
F2 C1 F3 106.5(3) . . ?
F2 C1 F1 106.8(3) . . ?
F3 C1 F1 106.3(3) . . ?
F2 C1 C2 114.6(3) . . ?
F3 C1 C2 110.7(3) . . ?
F1 C1 C2 111.4(3) . . ?
C2 O2 Eu1 128.4(2) . . ?
C40 N2 C36 117.6(3) . . ?
C40 N2 Eu1 120.4(2) . . ?
C36 N2 Eu1 121.3(2) . . ?
O2 C2 C3 129.3(3) . . ?
O2 C2 C1 112.2(3) . . ?
C3 C2 C1 118.5(3) . . ?
C14 O3 Eu1 139.1(2) . . ?
C2 C3 C4 122.4(3) . . ?
C12 O4 Eu1 133.1(2) . . ?
O1 C4 C3 123.2(3) . . ?
O1 C4 C5 117.4(3) . . ?
C3 C4 C5 119.4(3) . . ?
C22 O5 Eu1 133.4(2) . . ?
C10 C5 C6 118.2(3) . . ?
C10 C5 C4 122.9(3) . . ?
C6 C5 C4 118.8(3) . . ?
C24 O6 Eu1 140.0(2) . . ?
C7 C6 C5 120.6(3) . . ?
C6 C7 C8 120.0(4) . . ?
C9 C8 C7 120.3(4) . . ?
C8 C9 C10 119.7(4) . . ?
C9 C10 C5 121.1(4) . . ?
O3 Eu1 O4 71.19(8) . . ?
O3 Eu1 O6 115.12(8) . . ?
O4 Eu1 O6 74.40(8) . . ?
O3 Eu1 O2 85.50(8) . . ?
O4 Eu1 O2 75.09(8) . . ?
O6 Eu1 O2 134.33(8) . . ?
O3 Eu1 O5 80.45(8) . . ?
O4 Eu1 O5 119.73(8) . . ?
O6 Eu1 O5 71.54(8) . . ?
O2 Eu1 O5 154.11(8) . . ?
O3 Eu1 O1 73.14(7) . . ?
O4 Eu1 O1 132.39(7) . . ?
O6 Eu1 O1 151.17(8) . . ?
O2 Eu1 O1 71.64(8) . . ?
O5 Eu1 O1 83.48(8) . . ?
O3 Eu1 N1 150.32(8) . . ?
O4 Eu1 N1 83.25(8) . . ?
O6 Eu1 N1 70.15(8) . . ?
O2 Eu1 N1 73.24(8) . . ?
O5 Eu1 N1 126.66(8) . . ?
O1 Eu1 N1 117.34(8) . . ?
O3 Eu1 N2 145.60(8) . . ?
O4 Eu1 N2 142.76(8) . . ?
O6 Eu1 N2 80.20(8) . . ?
O2 Eu1 N2 105.94(9) . . ?
O5 Eu1 N2 75.64(8) . . ?
O1 Eu1 N2 79.83(8) . . ?
N1 Eu1 N2 62.49(9) . . ?
F6 C11 F4 106.4(3) . . ?
F6 C11 F5 107.4(3) . . ?
F4 C11 F5 106.5(3) . . ?
F6 C11 C12 114.4(3) . . ?
F4 C11 C12 111.6(3) . . ?
F5 C11 C12 110.1(3) . . ?
O4 C12 C13 129.0(3) . . ?
O4 C12 C11 112.0(3) . . ?
C13 C12 C11 119.0(3) . . ?
C12 C13 C14 121.7(3) . . ?
O3 C14 C13 122.4(3) . . ?
O3 C14 C15 116.5(3) . . ?
C13 C14 C15 121.1(3) . . ?
C20 C15 C16 118.4(3) . . ?
C20 C15 C14 123.6(3) . . ?
C16 C15 C14 118.0(3) . . ?
C17 C16 C15 120.7(3) . . ?
C18 C17 C16 120.2(4) . . ?
C17 C18 C19 119.9(3) . . ?
C18 C19 C20 120.3(3) . . ?
C19 C20 C15 120.5(3) . . ?
F7 C21 F9 106.9(3) . . ?
F7 C21 F8 106.3(3) . . ?
F9 C21 F8 106.8(3) . . ?
F7 C21 C22 111.8(3) . . ?
F9 C21 C22 114.5(3) . . ?
F8 C21 C22 110.1(3) . . ?
O5 C22 C23 129.8(3) . . ?
O5 C22 C21 113.2(3) . . ?
C23 C22 C21 117.0(3) . . ?
C22 C23 C24 122.0(3) . . ?
O6 C24 C23 122.3(3) . . ?
O6 C24 C25 116.9(3) . . ?
C23 C24 C25 120.9(3) . . ?
C26 C25 C30 118.5(3) . . ?
C26 C25 C24 123.0(3) . . ?
C30 C25 C24 118.5(3) . . ?
C27 C26 C25 120.6(3) . . ?
C28 C27 C26 120.4(3) . . ?
C27 C28 C29 120.1(3) . . ?
C28 C29 C30 119.9(3) . . ?
C29 C30 C25 120.6(3) . . ?
N1 C31 C32 123.5(3) . . ?
C31 C32 C33 119.2(3) . . ?
C34 C33 C32 117.5(3) . . ?
C34 C33 C41 121.8(3) . . ?
C32 C33 C41 120.7(3) . . ?
C33 C34 C35 120.3(3) . . ?
N1 C35 C34 121.8(3) . . ?
N1 C35 C36 115.5(3) . . ?
C34 C35 C36 122.7(3) . . ?
N2 C36 C37 121.7(3) . . ?
N2 C36 C35 116.2(3) . . ?
C37 C36 C35 122.1(3) . . ?
C36 C37 C38 120.3(3) . . ?
C39 C38 C37 117.3(3) . . ?
C39 C38 C49 121.5(3) . . ?
C37 C38 C49 121.1(3) . . ?
C40 C39 C38 119.3(3) . . ?
N2 C40 C39 123.7(3) . . ?
C33 C41 C42 113.5(3) . . ?
C43 C42 C41 111.9(3) . . ?
C42 C43 C44 114.0(3) . . ?
C43 C44 C45 113.0(3) . . ?
C46 C45 C44 112.7(3) . . ?
C45 C46 C47 115.1(3) . . ?
C48 C47 C46 114.5(3) . . ?
C47 C48 C024 113.0(4) . . ?
C38 C49 C50 110.2(3) . . ?
C51 C50 C49 114.1(3) . . ?
C52 C51 C50 113.6(3) . . ?
C51 C52 C53 112.9(3) . . ?
C54 C53 C52 112.6(3) . . ?
C53 C54 C55 114.1(3) . . ?
C54 C55 C56 113.5(3) . . ?
C57 C56 C55 114.3(4) . . ?

_refine_diff_density_max         0.930
_refine_diff_density_min         -1.547
_refine_diff_density_rms         0.117



