# Supplementary Information (SI) 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_el1_73b_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2374028'
loop_
_audit_author_name
_audit_author_address
'Edward Loukopoulos'
;University of Crete
Greece
;
_audit_update_record             
;
2024-07-28 deposited with the CCDC.	2024-12-02 downloaded from the CCDC.
;
_audit_creation_date             2024-07-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C95 H52 F8 O26 Sm6'
_chemical_formula_sum            'C95 H52 F8 O26 Sm6'
_chemical_formula_weight         2663.46
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -5.3236 12.2178 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   24.216(8)
_cell_length_b                   25.257(7)
_cell_length_c                   26.243(8)
_cell_angle_alpha                77.829(15)
_cell_angle_beta                 87.412(16)
_cell_angle_gamma                63.578(14)
_cell_volume                     14029(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7780
_cell_measurement_temperature    214.99
_cell_measurement_theta_max      50.69
_cell_measurement_theta_min      3.45
_shelx_estimated_absorpt_T_max   0.832
_shelx_estimated_absorpt_T_min   0.702
_exptl_absorpt_coefficient_mu    9.530
_exptl_absorpt_correction_T_max  0.7500
_exptl_absorpt_correction_T_min  0.5552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1120 before and 0.0785 after correction.
The Ratio of minimum to maximum transmission is 0.7403.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.631
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2548
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.1032
_diffrn_reflns_Laue_measured_fraction_full 0.943
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            62716
_diffrn_reflns_point_group_measured_fraction_full 0.943
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_theta_full        51.197
_diffrn_reflns_theta_max         51.197
_diffrn_reflns_theta_min         2.040
_diffrn_ambient_temperature      214.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18604
_reflns_number_total             28652
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.067
_refine_diff_density_min         -2.484
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     856
_refine_ls_number_reflns         28652
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0701
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1369P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1946
_refine_ls_wR_factor_ref         0.2332
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 O22-C041 = O23-C041
 1.3 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O6) = Uanis(C45) = Uanis(O5)
Uanis(C53) = Uanis(C48) = Uanis(C49) = Uanis(C50) = Uanis(C51) = Uanis(C52)
Uanis(C45) = Uanis(O5) = Uanis(O6)
Uanis(C43) = Uanis(C42) = Uanis(C41) = Uanis(C40) = Uanis(C39) = Uanis(C44)
Uanis(F3) = Uanis(F4) = Uanis(F1)
Uanis(O21) = Uanis(F5) = Uanis(C042) = Uanis(O20)
Uanis(O9) = Uanis(C47) = Uanis(O10)
Uanis(C041) = Uanis(O23) = Uanis(O22)
Uanis(C77) = Uanis(C76) = Uanis(C75) = Uanis(C74) = Uanis(C73) = Uanis(C72)
Uanis(C8) = Uanis(C9) = Uanis(C10) = Uanis(C11) = Uanis(C12) = Uanis(C13)
Uanis(C5) = Uanis(C2) = Uanis(C3) = Uanis(C6) = Uanis(C4) = Uanis(C7)
Uanis(O12) = Uanis(C78) = Uanis(O11)
Uanis(O014) = Uanis(C93) = Uanis(O016)
4.a Aromatic/amide H refined with riding coordinates:
 C75(H75), C73(H73), C77(H77), C68(H68), C67(H67), C71(H71), C70(H70),
 C37(H37), C38(H38), C34(H34), C35(H35), C61(H61), C44(H44), C42(H42), C40(H40),
  C91(H91), C90(H90), C88(H88), C87(H87), C65(H65), C6(H6), C7(H7), C3(H3),
 C4(H4), C63(H63), C59(H59), C58(H58), C56(H56), C55(H55), C15(H15), C17(H17),
 C19(H19), C12(H12), C13(H13), C9(H9), C10(H10), C82(H82), C81(H81), C52(H52),
 C50(H50), C49(H49), C53(H53), C85(H85), C31(H31), C30(H30), C84(H84), C28(H28),
  C27(H27), C25(H25), C24(H24), C21(H21), C22(H22)
4.b Fitted hexagon refined as free rotating group:
 C76(C75,C74,C73,C72,C77), C69(C68,C67,C66,C71,C70), C36(C37,C38,C33,C34,C35),
 C44(C43,C42,C41,C40,C39), C86(C91,C90,C89,C88,C87), C5(C6,C7,C2,C3,C4),
 C54(C59,C58,C57,C56,C55), C14(C15,C16,C17,C18,C19), C11(C12,C13,C8,C9,C10),
 C52(C51,C50,C49,C48,C53)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Sm1 Sm -0.46836(3) 1.53122(3) -0.10061(2) 0.0396(2) Uani 1 1 d . . . . .
Sm3 Sm -0.39389(3) 1.49576(3) 0.03939(2) 0.0400(2) Uani 1 1 d . . . . .
Sm5 Sm 0.49750(3) 0.39874(3) 0.56489(2) 0.0456(2) Uani 1 1 d . . . . .
Sm4 Sm 0.46513(3) 0.47136(3) 0.41315(2) 0.0442(2) Uani 1 1 d . . . . .
Sm2 Sm -0.56945(3) 1.62856(3) 0.00319(2) 0.0426(2) Uani 1 1 d . . . . .
Sm6 Sm 1.37158(3) -0.42590(3) 0.51723(2) 0.0462(2) Uani 1 1 d . . . . .
F6 F 0.5421(3) 0.5021(3) 0.42426(19) 0.0457(16) Uani 1 1 d . . . . .
F4 F -0.4076(3) 1.4565(3) -0.02970(19) 0.0440(9) Uani 1 1 d . . . . .
F3 F -0.4660(3) 1.5716(3) -0.02617(19) 0.0440(9) Uani 1 1 d . . . . .
F8 F 0.5380(3) 0.4091(3) 0.48267(19) 0.0471(16) Uani 1 1 d . . . . .
F5 F 0.4264(3) 0.5644(3) 0.4394(2) 0.0761(14) Uani 1 1 d . . . . .
F7 F 0.4235(3) 0.4711(3) 0.4979(2) 0.0505(17) Uani 1 1 d . . . . .
F1 F -0.5637(3) 1.5747(3) -0.06270(19) 0.0440(9) Uani 1 1 d . . . . .
O13 O 1.4588(3) -0.4479(3) 0.8307(3) 0.0462(19) Uani 1 1 d . . . . .
O5 O 0.3890(3) 0.6368(3) 0.0877(3) 0.0466(12) Uani 1 1 d . . . . .
O6 O 0.4168(3) 0.5463(3) 0.1452(3) 0.0466(12) Uani 1 1 d . . . . .
O8 O 0.4519(4) 0.5434(3) 0.3341(2) 0.057(2) Uani 1 1 d . . . . .
O16 O 0.6260(3) -0.4647(3) 0.8921(3) 0.053(2) Uani 1 1 d . . . . .
O14 O 1.3828(3) -0.4673(4) 0.8680(3) 0.056(2) Uani 1 1 d . . . . .
O12 O 1.4550(4) -0.4148(3) 0.6361(3) 0.0539(14) Uani 1 1 d . . . . .
O10 O 0.6649(4) 0.3217(4) 0.5294(3) 0.0669(17) Uani 1 1 d . . . . .
O3 O 0.4985(3) 1.3632(3) 0.1322(3) 0.053(2) Uani 1 1 d . . . . .
O17 O -0.5036(4) 1.6648(3) 0.0383(3) 0.072(3) Uani 1 1 d . . . . .
O11 O 1.3642(4) -0.3875(3) 0.5943(3) 0.0539(14) Uani 1 1 d . . . . .
O2 O -0.3235(4) 1.3309(4) 0.0286(3) 0.067(2) Uani 1 1 d . . . . .
O4 O 0.5567(4) 1.3114(5) 0.0739(3) 0.075(3) Uani 1 1 d . . . . .
C76 C 1.3721(3) -0.4205(3) 0.77767(18) 0.0451(12) Uani 1 1 d G . . . .
C75 C 1.4017(2) -0.4213(3) 0.7310(2) 0.0451(12) Uani 1 1 d G . . . .
H75 H 1.445102 -0.439528 0.731435 0.054 Uiso 1 1 calc R U . . .
C74 C 1.3672(3) -0.3951(3) 0.68372(18) 0.0451(12) Uani 1 1 d G . . . .
C73 C 1.3031(3) -0.3681(3) 0.68309(18) 0.0451(12) Uani 1 1 d G . . . .
H73 H 1.279736 -0.350417 0.651105 0.054 Uiso 1 1 calc R U . . .
C72 C 1.2735(2) -0.3673(3) 0.7297(2) 0.0451(12) Uani 1 1 d G . . . .
C77 C 1.3080(3) -0.3935(3) 0.77704(18) 0.0451(12) Uani 1 1 d G . . . .
H77 H 1.287977 -0.392949 0.808593 0.054 Uiso 1 1 calc R U . . .
O1 O -0.3070(4) 1.4047(4) 0.0525(3) 0.072(3) Uani 1 1 d . . . . .
O7 O 0.4707(4) 0.6194(4) 0.3469(3) 0.061(2) Uani 1 1 d . . . . .
O9 O 0.5882(4) 0.3116(4) 0.5749(3) 0.0669(17) Uani 1 1 d . . . . .
O21 O 0.3275(4) 0.5160(4) 0.5742(3) 0.0761(14) Uani 1 1 d . . . . .
O15 O 0.6687(4) -0.4808(4) 0.9732(3) 0.060(2) Uani 1 1 d . . . . .
O22 O 0.3573(4) 0.5123(5) 0.3926(4) 0.095(2) Uani 1 1 d D . . . .
O23 O 0.3011(4) 0.5751(5) 0.4548(4) 0.095(2) Uani 1 1 d D . . . .
O20 O 0.4069(4) 0.4064(4) 0.6062(3) 0.0761(14) Uani 1 1 d . . . . .
O014 O 0.4515(5) 0.3831(5) 0.4291(5) 0.117(3) Uani 1 1 d . . . . .
C45 C 0.4017(5) 0.6022(5) 0.1348(4) 0.0466(12) Uani 1 1 d . . . . .
O016 O 0.4693(5) 0.3366(5) 0.5277(5) 0.117(3) Uani 1 1 d . . . . .
O24 O 1.2586(5) -0.3665(5) 0.5362(4) 0.112(4) Uani 1 1 d . . . . .
C69 C 1.2033(3) -0.3339(3) 0.7300(3) 0.046(3) Uani 1 1 d G . . . .
C68 C 1.1691(3) -0.2834(4) 0.6913(2) 0.071(4) Uani 1 1 d G . . . .
H68 H 1.189310 -0.269100 0.664481 0.085 Uiso 1 1 calc R U . . .
C67 C 1.1052(3) -0.2542(3) 0.6922(3) 0.079(5) Uani 1 1 d G . . . .
H67 H 1.082066 -0.220121 0.666002 0.095 Uiso 1 1 calc R U . . .
C66 C 1.0753(3) -0.2754(3) 0.7319(3) 0.058(4) Uani 1 1 d G . . . .
C71 C 1.1095(3) -0.3258(4) 0.7706(3) 0.070(4) Uani 1 1 d G . . . .
H71 H 1.089341 -0.340166 0.797410 0.083 Uiso 1 1 calc R U . . .
C70 C 1.1735(3) -0.3551(3) 0.7697(3) 0.077(4) Uani 1 1 d G . . . .
H70 H 1.196585 -0.389145 0.795890 0.093 Uiso 1 1 calc R U . . .
C79 C 1.4075(6) -0.4479(6) 0.8295(4) 0.053(3) Uani 1 1 d . . . . .
C78 C 1.3971(6) -0.3999(5) 0.6352(4) 0.0539(14) Uani 1 1 d . . . . .
O19 O -0.6333(5) 1.7420(4) 0.0053(3) 0.101(4) Uani 1 1 d . . . . .
O18 O -0.3809(6) 1.5772(6) 0.0602(4) 0.136(5) Uani 1 1 d . . . . .
C46 C 0.4509(6) 0.5951(5) 0.3182(4) 0.053(3) Uani 1 1 d . . . . .
C36 C 0.3393(3) 0.7968(2) 0.1963(3) 0.046(3) Uani 1 1 d G . . . .
C37 C 0.3623(3) 0.8267(3) 0.2215(3) 0.066(4) Uani 1 1 d G . . . .
H37 H 0.396506 0.804339 0.245499 0.079 Uiso 1 1 calc R U . . .
C38 C 0.3347(4) 0.8895(3) 0.2111(3) 0.070(4) Uani 1 1 d G . . . .
H38 H 0.350217 0.909733 0.228108 0.084 Uiso 1 1 calc R U . . .
C33 C 0.2841(3) 0.9225(2) 0.1756(3) 0.058(3) Uani 1 1 d G . . . .
C34 C 0.2611(3) 0.8926(3) 0.1504(3) 0.061(4) Uani 1 1 d G . . . .
H34 H 0.226875 0.914962 0.126377 0.073 Uiso 1 1 calc R U . . .
C35 C 0.2887(3) 0.8298(3) 0.1608(3) 0.065(4) Uani 1 1 d G . . . .
H35 H 0.273164 0.809568 0.143767 0.078 Uiso 1 1 calc R U . . .
C47 C 0.6397(7) 0.2913(6) 0.5616(5) 0.0669(17) Uani 1 1 d . . . . .
C61 C 0.9718(6) -0.1806(5) 0.7111(4) 0.055(3) Uani 1 1 d . . . . .
H61 H 0.992466 -0.158013 0.695347 0.066 Uiso 1 1 calc R U . . .
C44 C 0.3965(3) 0.6934(3) 0.2555(2) 0.0423(11) Uani 1 1 d G . . . .
H44 H 0.395735 0.713077 0.282416 0.051 Uiso 1 1 calc R U . . .
C43 C 0.4214(3) 0.6306(3) 0.26568(17) 0.0423(11) Uani 1 1 d G . . . .
C42 C 0.4226(3) 0.6015(2) 0.2259(2) 0.0423(11) Uani 1 1 d G . . . .
H42 H 0.439440 0.559108 0.232791 0.051 Uiso 1 1 calc R U . . .
C41 C 0.3988(3) 0.6352(3) 0.17602(19) 0.0423(11) Uani 1 1 d G . . . .
C40 C 0.3739(3) 0.6979(3) 0.16586(17) 0.0423(11) Uani 1 1 d G . . . .
H40 H 0.357868 0.720680 0.132111 0.051 Uiso 1 1 calc R U . . .
C39 C 0.3728(3) 0.7270(2) 0.2056(2) 0.0423(11) Uani 1 1 d G . . . .
C92 C 0.6612(6) -0.4618(6) 0.9223(5) 0.062(4) Uani 1 1 d . . . . .
C86 C 0.7798(3) -0.3827(4) 0.8522(3) 0.060(4) Uani 1 1 d G . . . .
C91 C 0.7454(4) -0.3969(4) 0.8213(2) 0.075(4) Uani 1 1 d G . . . .
H91 H 0.746732 -0.388009 0.784727 0.090 Uiso 1 1 calc R U . . .
C90 C 0.7092(4) -0.4244(4) 0.8443(3) 0.067(4) Uani 1 1 d G . . . .
H90 H 0.686008 -0.434004 0.823363 0.080 Uiso 1 1 calc R U . . .
C89 C 0.7073(4) -0.4376(4) 0.8983(3) 0.063(4) Uani 1 1 d G . . . .
C88 C 0.7416(4) -0.4233(4) 0.9293(2) 0.073(4) Uani 1 1 d G . . . .
H88 H 0.740352 -0.432219 0.965862 0.088 Uiso 1 1 calc R U . . .
C87 C 0.7779(4) -0.3959(4) 0.9063(3) 0.104(6) Uani 1 1 d G . . . .
H87 H 0.801076 -0.386224 0.927227 0.125 Uiso 1 1 calc R U . . .
C32 C 0.5169(7) 1.3205(5) 0.1055(6) 0.062(4) Uani 1 1 d . . . . .
C65 C 0.8772(6) -0.1855(5) 0.7340(5) 0.069(4) Uani 1 1 d . . . . .
H65 H 0.833779 -0.166514 0.732721 0.083 Uiso 1 1 calc R U . . .
C83 C 0.8142(5) -0.3499(6) 0.8272(5) 0.065(4) Uani 1 1 d . . . . .
C5 C -0.0983(3) 1.2322(4) 0.0885(4) 0.108(2) Uani 1 1 d G . . . .
C6 C -0.1262(4) 1.2900(4) 0.0989(4) 0.108(2) Uani 1 1 d G . . . .
H6 H -0.102687 1.304208 0.114401 0.130 Uiso 1 1 calc R U . . .
C7 C -0.1888(4) 1.3266(3) 0.0864(4) 0.108(2) Uani 1 1 d G . . . .
H7 H -0.207679 1.365638 0.093501 0.130 Uiso 1 1 calc R U . . .
C2 C -0.2236(3) 1.3055(4) 0.0635(4) 0.108(2) Uani 1 1 d G . . . .
C3 C -0.1957(4) 1.2478(4) 0.0531(4) 0.108(2) Uani 1 1 d G . . . .
H3 H -0.219173 1.233566 0.037567 0.130 Uiso 1 1 calc R U . . .
C4 C -0.1330(4) 1.2112(3) 0.0655(4) 0.108(2) Uani 1 1 d G . . . .
H4 H -0.114181 1.172135 0.058467 0.130 Uiso 1 1 calc R U . . .
C62 C 1.0061(5) -0.2421(6) 0.7312(4) 0.055(3) Uani 1 1 d . . . . .
C1 C -0.2884(7) 1.3537(9) 0.0477(5) 0.076(5) Uani 1 1 d . . . . .
C80 C 0.8777(5) -0.2824(6) 0.7812(6) 0.075(4) Uani 1 1 d . . . . .
C63 C 0.9742(6) -0.2766(6) 0.7536(5) 0.079(5) Uani 1 1 d . . . . .
H63 H 0.995834 -0.318540 0.766609 0.094 Uiso 1 1 calc R U . . .
C54 C 0.8028(4) 0.0382(3) 0.6504(4) 0.088(5) Uani 1 1 d G . . . .
C59 C 0.7868(4) 0.0109(4) 0.6965(4) 0.095(5) Uani 1 1 d G . . . .
H59 H 0.752812 0.034199 0.714118 0.115 Uiso 1 1 calc R U . . .
C58 C 0.8209(4) -0.0507(4) 0.7167(3) 0.085(5) Uani 1 1 d G . . . .
H58 H 0.810077 -0.069078 0.747860 0.101 Uiso 1 1 calc R U . . .
C57 C 0.8711(4) -0.0851(3) 0.6907(3) 0.076(4) Uani 1 1 d G . . . .
C56 C 0.8871(4) -0.0578(4) 0.6446(3) 0.091(5) Uani 1 1 d G . . . .
H56 H 0.921081 -0.081097 0.627007 0.109 Uiso 1 1 calc R U . . .
C55 C 0.8530(4) 0.0038(4) 0.6244(3) 0.097(5) Uani 1 1 d G . . . .
H55 H 0.863817 0.022180 0.593263 0.116 Uiso 1 1 calc R U . . .
C60 C 0.9084(6) -0.1513(6) 0.7136(5) 0.072(4) Uani 1 1 d . . . . .
C29 C 0.4807(8) 1.2834(6) 0.1153(6) 0.083(5) Uani 1 1 d . . . . .
C14 C 0.1645(3) 1.0878(3) 0.1376(3) 0.070(4) Uani 1 1 d G . . . .
C15 C 0.1911(3) 1.0249(4) 0.1508(3) 0.066(4) Uani 1 1 d G . . . .
H15 H 0.166405 1.004777 0.151320 0.079 Uiso 1 1 calc R U . . .
C16 C 0.2542(4) 0.9919(2) 0.1632(3) 0.062(4) Uani 1 1 d G . . . .
C17 C 0.2907(3) 1.0217(3) 0.1625(4) 0.079(4) Uani 1 1 d G . . . .
H17 H 0.333349 0.999309 0.170868 0.094 Uiso 1 1 calc R U . . .
C18 C 0.2641(4) 1.0845(3) 0.1492(4) 0.084(5) Uani 1 1 d G . . . .
C19 C 0.2010(4) 1.1175(2) 0.1368(3) 0.075(4) Uani 1 1 d G . . . .
H19 H 0.183078 1.160033 0.127877 0.090 Uiso 1 1 calc R U . . .
C64 C 0.9082(7) -0.2457(6) 0.7558(6) 0.079(5) Uani 1 1 d . . . . .
C11 C 0.0938(3) 1.1262(4) 0.1267(4) 0.101(2) Uani 1 1 d G . . . .
C12 C 0.0628(4) 1.1820(4) 0.1405(4) 0.101(2) Uani 1 1 d G . . . .
H12 H 0.084562 1.196720 0.157643 0.121 Uiso 1 1 calc R U . . .
C13 C -0.0003(4) 1.2161(3) 0.1290(4) 0.101(2) Uani 1 1 d G . . . .
H13 H -0.021323 1.253796 0.138367 0.121 Uiso 1 1 calc R U . . .
C8 C -0.0325(3) 1.1943(4) 0.1037(4) 0.101(2) Uani 1 1 d G . . . .
C9 C -0.0015(4) 1.1385(4) 0.0898(4) 0.101(2) Uani 1 1 d G . . . .
H9 H -0.023218 1.123772 0.072679 0.121 Uiso 1 1 calc R U . . .
C10 C 0.0617(4) 1.1044(3) 0.1013(4) 0.101(2) Uani 1 1 d G . . . .
H10 H 0.082667 1.066694 0.091954 0.121 Uiso 1 1 calc R U . . .
C82 C 0.8679(6) -0.3586(6) 0.8511(6) 0.078(4) Uani 1 1 d . . . . .
H82 H 0.883172 -0.386455 0.883133 0.093 Uiso 1 1 calc R U . . .
C81 C 0.8995(7) -0.3262(6) 0.8279(5) 0.087(5) Uani 1 1 d . . . . .
H81 H 0.936927 -0.333958 0.844158 0.104 Uiso 1 1 calc R U . . .
C20 C 0.3035(8) 1.1178(7) 0.1433(7) 0.095(5) Uani 1 1 d . . . . .
C52 C 0.7006(4) 0.1315(4) 0.6407(3) 0.093(2) Uani 1 1 d G . . . .
H52 H 0.684654 0.109212 0.664617 0.112 Uiso 1 1 calc R U . . .
C51 C 0.7618(4) 0.1043(3) 0.6278(4) 0.093(2) Uani 1 1 d G . . . .
C50 C 0.7854(3) 0.1373(4) 0.5924(4) 0.093(2) Uani 1 1 d G . . . .
H50 H 0.826807 0.118947 0.583761 0.112 Uiso 1 1 calc R U . . .
C49 C 0.7476(4) 0.1976(4) 0.5698(3) 0.093(2) Uani 1 1 d G . . . .
H49 H 0.763532 0.219894 0.545870 0.112 Uiso 1 1 calc R U . . .
C48 C 0.6863(4) 0.2248(3) 0.5826(4) 0.093(2) Uani 1 1 d G . . . .
C53 C 0.6628(3) 0.1918(4) 0.6181(4) 0.093(2) Uani 1 1 d G . . . .
H53 H 0.621378 0.210161 0.626724 0.112 Uiso 1 1 calc R U . . .
C85 C 0.8227(6) -0.2725(6) 0.7584(5) 0.083(5) Uani 1 1 d . . . . .
H85 H 0.805177 -0.241378 0.728557 0.100 Uiso 1 1 calc R U . . .
C31 C 0.3983(7) 1.2599(7) 0.1553(6) 0.093(5) Uani 1 1 d . . . . .
H31 H 0.365367 1.268302 0.177655 0.112 Uiso 1 1 calc R U . . .
C26 C 0.4126(8) 1.2154(7) 0.1306(6) 0.092(5) Uani 1 1 d . . . . .
C30 C 0.4315(8) 1.2960(7) 0.1489(6) 0.097(5) Uani 1 1 d . . . . .
H30 H 0.420571 1.327469 0.166978 0.116 Uiso 1 1 calc R U . . .
C84 C 0.7920(6) -0.3082(6) 0.7788(6) 0.081(4) Uani 1 1 d . . . . .
H84 H 0.757433 -0.304187 0.760540 0.097 Uiso 1 1 calc R U . . .
C28 C 0.4985(7) 1.2321(7) 0.0917(7) 0.107(6) Uani 1 1 d . . . . .
H28 H 0.533618 1.220699 0.071732 0.129 Uiso 1 1 calc R U . . .
C27 C 0.4644(9) 1.1992(8) 0.0979(7) 0.125(7) Uani 1 1 d . . . . .
H27 H 0.475088 1.166886 0.081066 0.151 Uiso 1 1 calc R U . . .
C23 C 0.3757(8) 1.1796(8) 0.1384(8) 0.126(7) Uani 1 1 d . . . . .
C25 C 0.2791(7) 1.1755(7) 0.1478(8) 0.126(8) Uani 1 1 d . . . . .
H25 H 0.236754 1.194577 0.153683 0.152 Uiso 1 1 calc R U . . .
C24 C 0.3120(9) 1.2089(7) 0.1442(7) 0.119(7) Uani 1 1 d . . . . .
H24 H 0.292158 1.250016 0.145732 0.143 Uiso 1 1 calc R U . . .
C21 C 0.3658(8) 1.0890(8) 0.1343(9) 0.148(9) Uani 1 1 d . . . . .
H21 H 0.384108 1.048725 0.130240 0.178 Uiso 1 1 calc R U . . .
C041 C 0.3120(6) 0.5416(7) 0.4206(6) 0.095(2) Uani 1 1 d D . . . .
C042 C 0.3510(7) 0.4655(7) 0.6029(5) 0.0761(14) Uani 1 1 d . . . . .
C22 C 0.4012(9) 1.1215(8) 0.1313(9) 0.149(9) Uani 1 1 d . . . . .
H22 H 0.443176 1.102666 0.124248 0.179 Uiso 1 1 calc R U . . .
F2 F -0.4951(3) 1.5422(3) 0.0651(2) 0.0623(19) Uani 1 1 d . . . . .
C93 C 0.4661(9) 0.3357(9) 0.4782(8) 0.117(3) 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
Sm1 Sm3 3.9052(13) 2_485 ?
Sm1 Sm3 3.9148(14) . ?
Sm1 Sm2 4.0291(14) 2_485 ?
Sm1 Sm2 4.0400(14) . ?
Sm1 F4 2.342(5) . ?
Sm1 F3 2.400(5) . ?
Sm1 F1 2.351(6) . ?
Sm1 O13 2.386(7) 1_374 ?
Sm1 O6 2.327(7) 2_575 ?
Sm1 O16 2.332(7) 1_474 ?
Sm1 O3 2.392(7) 2_585 ?
Sm1 F2 2.398(6) 2_485 ?
Sm3 Sm2 3.9934(12) 2_485 ?
Sm3 Sm2 4.0691(16) . ?
Sm3 F4 2.343(5) . ?
Sm3 F3 2.363(5) . ?
Sm3 F1 2.387(5) 2_485 ?
Sm3 O14 2.377(7) 2_666 ?
Sm3 O1 2.294(10) . ?
Sm3 O15 2.407(7) 1_474 ?
Sm3 O18 2.387(9) . ?
Sm3 F2 2.337(7) . ?
Sm5 Sm4 3.9696(14) . ?
Sm5 Sm4 3.9244(13) 2_666 ?
Sm5 Sm6 4.0580(16) 1_465 ?
Sm5 Sm6 3.9825(14) 2_756 ?
Sm5 F6 2.326(6) 2_666 ?
Sm5 F8 2.342(5) . ?
Sm5 F5 2.395(7) 2_666 ?
Sm5 F7 2.378(5) . ?
Sm5 O7 2.358(7) 2_666 ?
Sm5 O9 2.290(9) . ?
Sm5 O20 2.349(8) . ?
Sm5 O016 2.353(9) . ?
Sm4 Sm6 4.0027(16) 2_756 ?
Sm4 Sm6 4.0648(14) 1_465 ?
Sm4 F6 2.365(5) . ?
Sm4 F8 2.350(5) . ?
Sm4 F5 2.354(8) . ?
Sm4 F7 2.400(5) . ?
Sm4 O8 2.380(7) . ?
Sm4 O12 2.353(8) 2_756 ?
Sm4 O22 2.381(9) . ?
Sm4 O014 2.346(10) . ?
Sm2 F4 2.408(5) 2_485 ?
Sm2 F3 2.455(6) . ?
Sm2 F1 2.380(5) . ?
Sm2 O5 2.404(7) 1_465 ?
Sm2 O17 2.454(8) . ?
Sm2 O2 2.437(8) 2_485 ?
Sm2 O4 2.357(8) 2_585 ?
Sm2 O19 2.592(10) . ?
Sm2 F2 2.432(6) . ?
Sm6 F6 2.428(5) 2_756 ?
Sm6 F8 2.409(5) 2_756 ?
Sm6 F5 2.382(7) 1_645 ?
Sm6 F7 2.488(6) 1_645 ?
Sm6 O10 2.424(8) 2_756 ?
Sm6 O11 2.388(7) . ?
Sm6 O21 2.418(8) 1_645 ?
Sm6 O23 2.408(9) 1_645 ?
Sm6 O24 2.554(10) . ?
O13 C79 1.244(12) . ?
O5 C45 1.314(12) . ?
O6 C45 1.260(12) . ?
O8 C46 1.274(12) . ?
O16 C92 1.226(13) . ?
O14 C79 1.271(12) . ?
O12 C78 1.280(13) . ?
O10 C47 1.331(15) . ?
O3 C32 1.309(16) . ?
O11 C78 1.264(12) . ?
O2 C1 1.379(15) . ?
O4 C32 1.218(17) . ?
C76 C75 1.3900 . ?
C76 C77 1.3900 . ?
C76 C79 1.499(12) . ?
C75 H75 0.9400 . ?
C75 C74 1.3900 . ?
C74 C73 1.3900 . ?
C74 C78 1.438(12) . ?
C73 H73 0.9400 . ?
C73 C72 1.3900 . ?
C72 C77 1.3900 . ?
C72 C69 1.525(7) . ?
C77 H77 0.9400 . ?
O1 C1 1.193(17) . ?
O7 C46 1.292(13) . ?
O9 C47 1.185(15) . ?
O21 C042 1.228(15) . ?
O15 C92 1.311(14) . ?
O22 C041 1.313(12) . ?
O23 C041 1.300(12) . ?
O20 C042 1.494(16) . ?
O014 C93 1.49(2) . ?
C45 C41 1.481(12) . ?
O016 C93 1.312(19) . ?
C69 C68 1.3900 . ?
C69 C70 1.3900 . ?
C68 H68 0.9400 . ?
C68 C67 1.3900 . ?
C67 H67 0.9400 . ?
C67 C66 1.3900 . ?
C66 C71 1.3900 . ?
C66 C62 1.504(12) . ?
C71 H71 0.9400 . ?
C71 C70 1.3900 . ?
C70 H70 0.9400 . ?
C46 C43 1.487(11) . ?
C36 C37 1.3900 . ?
C36 C35 1.3900 . ?
C36 C39 1.544(7) . ?
C37 H37 0.9400 . ?
C37 C38 1.3900 . ?
C38 H38 0.9400 . ?
C38 C33 1.3900 . ?
C33 C34 1.3900 . ?
C33 C16 1.533(7) . ?
C34 H34 0.9400 . ?
C34 C35 1.3900 . ?
C35 H35 0.9400 . ?
C47 C48 1.542(15) . ?
C61 H61 0.9400 . ?
C61 C62 1.389(15) . ?
C61 C60 1.381(15) . ?
C44 H44 0.9400 . ?
C44 C43 1.3900 . ?
C44 C39 1.3900 . ?
C43 C42 1.3900 . ?
C42 H42 0.9400 . ?
C42 C41 1.3900 . ?
C41 C40 1.3900 . ?
C40 H40 0.9400 . ?
C40 C39 1.3900 . ?
C92 C89 1.549(12) . ?
C86 C91 1.3900 . ?
C86 C87 1.3900 . ?
C86 C83 1.465(12) . ?
C91 H91 0.9400 . ?
C91 C90 1.3900 . ?
C90 H90 0.9400 . ?
C90 C89 1.3900 . ?
C89 C88 1.3900 . ?
C88 H88 0.9400 . ?
C88 C87 1.3900 . ?
C87 H87 0.9400 . ?
C32 C29 1.524(18) . ?
C65 H65 0.9400 . ?
C65 C60 1.397(15) . ?
C65 C64 1.364(16) . ?
C83 C82 1.376(16) . ?
C83 C84 1.416(17) . ?
C5 C6 1.3900 . ?
C5 C4 1.3900 . ?
C5 C8 1.468(8) . ?
C6 H6 0.9400 . ?
C6 C7 1.3900 . ?
C7 H7 0.9400 . ?
C7 C2 1.3900 . ?
C2 C3 1.3900 . ?
C2 C1 1.504(17) . ?
C3 H3 0.9400 . ?
C3 C4 1.3900 . ?
C4 H4 0.9400 . ?
C62 C63 1.429(15) . ?
C80 C64 1.468(16) . ?
C80 C81 1.404(16) . ?
C80 C85 1.383(16) . ?
C63 H63 0.9400 . ?
C63 C64 1.436(17) . ?
C54 C59 1.3900 . ?
C54 C55 1.3900 . ?
C54 C51 1.513(8) . ?
C59 H59 0.9400 . ?
C59 C58 1.3900 . ?
C58 H58 0.9400 . ?
C58 C57 1.3900 . ?
C57 C56 1.3900 . ?
C57 C60 1.502(13) . ?
C56 H56 0.9400 . ?
C56 C55 1.3900 . ?
C55 H55 0.9400 . ?
C29 C30 1.408(19) . ?
C29 C28 1.44(2) . ?
C14 C15 1.3900 . ?
C14 C19 1.3900 . ?
C14 C11 1.550(8) . ?
C15 H15 0.9400 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 H17 0.9400 . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C18 C20 1.513(14) . ?
C19 H19 0.9400 . ?
C11 C12 1.3900 . ?
C11 C10 1.3900 . ?
C12 H12 0.9400 . ?
C12 C13 1.3900 . ?
C13 H13 0.9400 . ?
C13 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 H9 0.9400 . ?
C9 C10 1.3900 . ?
C10 H10 0.9400 . ?
C82 H82 0.9400 . ?
C82 C81 1.389(16) . ?
C81 H81 0.9400 . ?
C20 C25 1.335(19) . ?
C20 C21 1.386(19) . ?
C52 H52 0.9400 . ?
C52 C51 1.3900 . ?
C52 C53 1.3900 . ?
C51 C50 1.3900 . ?
C50 H50 0.9400 . ?
C50 C49 1.3900 . ?
C49 H49 0.9400 . ?
C49 C48 1.3900 . ?
C48 C53 1.3900 . ?
C53 H53 0.9400 . ?
C85 H85 0.9400 . ?
C85 C84 1.416(16) . ?
C31 H31 0.9400 . ?
C31 C26 1.319(18) . ?
C31 C30 1.447(18) . ?
C26 C27 1.44(2) . ?
C26 C23 1.51(2) . ?
C30 H30 0.9400 . ?
C84 H84 0.9400 . ?
C28 H28 0.9400 . ?
C28 C27 1.395(18) . ?
C27 H27 0.9400 . ?
C23 C24 1.40(2) . ?
C23 C22 1.37(2) . ?
C25 H25 0.9400 . ?
C25 C24 1.38(2) . ?
C24 H24 0.9400 . ?
C21 H21 0.9400 . ?
C21 C22 1.417(19) . ?
C22 H22 0.9400 . ?

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
Sm3 Sm1 Sm3 89.91(3) 2_485 . ?
Sm3 Sm1 Sm2 60.34(2) . 2_485 ?
Sm3 Sm1 Sm2 60.32(2) 2_485 . ?
Sm3 Sm1 Sm2 61.51(3) . . ?
Sm3 Sm1 Sm2 61.68(2) 2_485 2_485 ?
Sm2 Sm1 Sm2 93.40(3) 2_485 . ?
F4 Sm1 Sm3 85.94(13) . 2_485 ?
F4 Sm1 Sm3 33.34(13) . . ?
F4 Sm1 Sm2 32.48(12) . 2_485 ?
F4 Sm1 Sm2 87.90(15) . . ?
F4 Sm1 F3 67.30(19) . . ?
F4 Sm1 F1 101.01(19) . . ?
F4 Sm1 O13 142.9(2) . 1_374 ?
F4 Sm1 O3 136.1(2) . 2_585 ?
F4 Sm1 F2 65.22(19) . 2_485 ?
F3 Sm1 Sm3 86.97(13) . 2_485 ?
F3 Sm1 Sm3 34.41(13) . . ?
F3 Sm1 Sm2 88.71(12) . 2_485 ?
F3 Sm1 Sm2 34.11(14) . . ?
F1 Sm1 Sm3 85.84(12) . . ?
F1 Sm1 Sm3 34.79(13) . 2_485 ?
F1 Sm1 Sm2 31.58(12) . . ?
F1 Sm1 Sm2 89.30(13) . 2_485 ?
F1 Sm1 F3 65.12(18) . . ?
F1 Sm1 O13 77.0(2) . 1_374 ?
F1 Sm1 O3 78.6(2) . 2_585 ?
F1 Sm1 F2 68.1(2) . 2_485 ?
O13 Sm1 Sm3 71.49(18) 1_374 2_485 ?
O13 Sm1 Sm3 161.11(17) 1_374 . ?
O13 Sm1 Sm2 104.71(16) 1_374 . ?
O13 Sm1 Sm2 110.92(18) 1_374 2_485 ?
O13 Sm1 F3 137.2(2) 1_374 . ?
O13 Sm1 O3 80.4(2) 1_374 2_585 ?
O13 Sm1 F2 80.4(2) 1_374 2_485 ?
O6 Sm1 Sm3 112.88(17) 2_575 . ?
O6 Sm1 Sm3 105.40(17) 2_575 2_485 ?
O6 Sm1 Sm2 163.26(17) 2_575 . ?
O6 Sm1 Sm2 71.03(16) 2_575 2_485 ?
O6 Sm1 F4 82.1(2) 2_575 . ?
O6 Sm1 F3 146.2(2) 2_575 . ?
O6 Sm1 F1 138.2(2) 2_575 . ?
O6 Sm1 O13 76.4(2) 2_575 1_374 ?
O6 Sm1 O16 80.8(3) 2_575 1_474 ?
O6 Sm1 O3 127.2(3) 2_575 2_585 ?
O6 Sm1 F2 76.0(2) 2_575 2_485 ?
O16 Sm1 Sm3 70.96(18) 1_474 . ?
O16 Sm1 Sm3 160.71(18) 1_474 2_485 ?
O16 Sm1 Sm2 109.9(2) 1_474 . ?
O16 Sm1 Sm2 104.83(18) 1_474 2_485 ?
O16 Sm1 F4 76.7(2) 1_474 . ?
O16 Sm1 F3 78.6(2) 1_474 . ?
O16 Sm1 F1 140.8(2) 1_474 . ?
O16 Sm1 O13 127.8(3) 1_474 1_374 ?
O16 Sm1 O3 77.2(3) 1_474 2_585 ?
O16 Sm1 F2 137.5(2) 1_474 2_485 ?
O3 Sm1 Sm3 104.16(19) 2_585 . ?
O3 Sm1 Sm3 111.05(18) 2_585 2_485 ?
O3 Sm1 Sm2 161.31(19) 2_585 2_485 ?
O3 Sm1 Sm2 68.87(19) 2_585 . ?
O3 Sm1 F3 73.3(2) 2_585 . ?
O3 Sm1 F2 144.5(2) 2_585 2_485 ?
F2 Sm1 Sm3 33.95(17) 2_485 2_485 ?
F2 Sm1 Sm3 85.92(14) 2_485 . ?
F2 Sm1 Sm2 87.62(16) 2_485 . ?
F2 Sm1 Sm2 33.73(15) 2_485 2_485 ?
F2 Sm1 F3 102.15(19) 2_485 . ?
Sm1 Sm3 Sm1 90.09(3) 2_485 . ?
Sm1 Sm3 Sm2 61.25(2) . 2_485 ?
Sm1 Sm3 Sm2 60.65(3) 2_485 . ?
Sm1 Sm3 Sm2 61.51(2) 2_485 2_485 ?
Sm1 Sm3 Sm2 60.76(2) . . ?
Sm2 Sm3 Sm2 93.49(3) 2_485 . ?
F4 Sm3 Sm1 33.32(14) . . ?
F4 Sm3 Sm1 86.10(13) . 2_485 ?
F4 Sm3 Sm2 87.18(15) . . ?
F4 Sm3 Sm2 33.32(12) . 2_485 ?
F4 Sm3 F3 67.9(2) . . ?
F4 Sm3 F1 65.25(17) . 2_485 ?
F4 Sm3 O14 137.2(2) . 2_666 ?
F4 Sm3 O15 76.3(2) . 1_474 ?
F4 Sm3 O18 143.8(3) . . ?
F3 Sm3 Sm1 35.04(14) . . ?
F3 Sm3 Sm1 87.08(13) . 2_485 ?
F3 Sm3 Sm2 33.07(14) . . ?
F3 Sm3 Sm2 90.09(13) . 2_485 ?
F3 Sm3 F1 102.67(18) . 2_485 ?
F3 Sm3 O14 138.6(2) . 2_666 ?
F3 Sm3 O15 75.6(2) . 1_474 ?
F3 Sm3 O18 84.6(3) . . ?
F1 Sm3 Sm1 34.18(15) 2_485 2_485 ?
F1 Sm3 Sm1 86.06(12) 2_485 . ?
F1 Sm3 Sm2 87.85(15) 2_485 . ?
F1 Sm3 Sm2 33.06(13) 2_485 2_485 ?
F1 Sm3 O15 138.3(2) 2_485 1_474 ?
F1 Sm3 O18 147.3(3) 2_485 . ?
O14 Sm3 Sm1 67.54(17) 2_666 2_485 ?
O14 Sm3 Sm1 157.59(17) 2_666 . ?
O14 Sm3 Sm2 104.29(19) 2_666 2_485 ?
O14 Sm3 Sm2 106.29(19) 2_666 . ?
O14 Sm3 F1 74.7(2) 2_666 2_485 ?
O14 Sm3 O15 133.6(2) 2_666 1_474 ?
O14 Sm3 O18 78.9(3) 2_666 . ?
O1 Sm3 Sm1 108.6(2) . 2_485 ?
O1 Sm3 Sm1 109.3(2) . . ?
O1 Sm3 Sm2 70.0(2) . 2_485 ?
O1 Sm3 Sm2 163.5(2) . . ?
O1 Sm3 F4 79.3(3) . . ?
O1 Sm3 F3 142.7(3) . . ?
O1 Sm3 F1 78.0(3) . 2_485 ?
O1 Sm3 O14 78.3(3) . 2_666 ?
O1 Sm3 O15 79.8(3) . 1_474 ?
O1 Sm3 O18 115.2(4) . . ?
O1 Sm3 F2 142.2(3) . . ?
O15 Sm3 Sm1 158.89(17) 1_474 2_485 ?
O15 Sm3 Sm1 68.79(18) 1_474 . ?
O15 Sm3 Sm2 105.79(19) 1_474 2_485 ?
O15 Sm3 Sm2 106.27(19) 1_474 . ?
O18 Sm3 Sm1 114.3(3) . . ?
O18 Sm3 Sm1 116.6(3) . 2_485 ?
O18 Sm3 Sm2 174.5(3) . 2_485 ?
O18 Sm3 Sm2 81.3(3) . . ?
O18 Sm3 O15 74.4(3) . 1_474 ?
F2 Sm3 Sm1 85.97(14) . . ?
F2 Sm3 Sm1 34.96(15) . 2_485 ?
F2 Sm3 Sm2 89.57(15) . 2_485 ?
F2 Sm3 Sm2 32.13(14) . . ?
F2 Sm3 F4 101.2(2) . . ?
F2 Sm3 F3 64.8(2) . . ?
F2 Sm3 F1 68.5(2) . 2_485 ?
F2 Sm3 O14 76.4(2) . 2_666 ?
F2 Sm3 O15 137.6(2) . 1_474 ?
F2 Sm3 O18 86.8(4) . . ?
Sm4 Sm5 Sm4 90.40(2) 2_666 . ?
Sm4 Sm5 Sm6 60.44(2) . 2_756 ?
Sm4 Sm5 Sm6 60.83(2) . 1_465 ?
Sm4 Sm5 Sm6 61.87(2) 2_666 2_756 ?
Sm4 Sm5 Sm6 60.16(3) 2_666 1_465 ?
Sm6 Sm5 Sm6 92.46(3) 2_756 1_465 ?
F6 Sm5 Sm4 33.52(14) 2_666 2_666 ?
F6 Sm5 Sm4 85.50(12) 2_666 . ?
F6 Sm5 Sm6 87.87(14) 2_666 2_756 ?
F6 Sm5 Sm6 32.17(12) 2_666 1_465 ?
F6 Sm5 F8 99.9(2) 2_666 . ?
F6 Sm5 F5 66.6(2) 2_666 2_666 ?
F6 Sm5 F7 65.97(19) 2_666 . ?
F6 Sm5 O7 80.2(2) 2_666 2_666 ?
F6 Sm5 O20 80.8(3) 2_666 . ?
F6 Sm5 O016 140.4(3) 2_666 . ?
F8 Sm5 Sm4 86.77(13) . 2_666 ?
F8 Sm5 Sm4 32.29(14) . . ?
F8 Sm5 Sm6 86.34(15) . 1_465 ?
F8 Sm5 Sm6 33.57(12) . 2_756 ?
F8 Sm5 F5 65.8(2) . 2_666 ?
F8 Sm5 F7 65.9(2) . . ?
F8 Sm5 O7 138.0(2) . 2_666 ?
F8 Sm5 O20 142.7(2) . . ?
F8 Sm5 O016 80.2(3) . . ?
F5 Sm5 Sm4 33.93(19) 2_666 2_666 ?
F5 Sm5 Sm4 85.58(15) 2_666 . ?
F5 Sm5 Sm6 86.63(18) 2_666 1_465 ?
F5 Sm5 Sm6 33.42(17) 2_666 2_756 ?
F7 Sm5 Sm4 33.99(14) . . ?
F7 Sm5 Sm4 87.72(14) . 2_666 ?
F7 Sm5 Sm6 34.37(15) . 1_465 ?
F7 Sm5 Sm6 88.59(13) . 2_756 ?
F7 Sm5 F5 101.9(2) . 2_666 ?
O7 Sm5 Sm4 70.28(19) 2_666 2_666 ?
O7 Sm5 Sm4 160.35(18) 2_666 . ?
O7 Sm5 Sm6 105.29(19) 2_666 2_756 ?
O7 Sm5 Sm6 109.6(2) 2_666 1_465 ?
O7 Sm5 F5 76.4(2) 2_666 2_666 ?
O7 Sm5 F7 143.1(3) 2_666 . ?
O9 Sm5 Sm4 108.0(2) . 2_666 ?
O9 Sm5 Sm4 107.3(2) . . ?
O9 Sm5 Sm6 161.1(2) . 1_465 ?
O9 Sm5 Sm6 68.7(2) . 2_756 ?
O9 Sm5 F6 140.8(2) . 2_666 ?
O9 Sm5 F8 78.0(2) . . ?
O9 Sm5 F5 77.4(3) . 2_666 ?
O9 Sm5 F7 139.8(2) . . ?
O9 Sm5 O7 76.6(3) . 2_666 ?
O9 Sm5 O20 124.3(3) . . ?
O9 Sm5 O016 78.3(4) . . ?
O20 Sm5 Sm4 111.9(2) . . ?
O20 Sm5 Sm4 109.6(2) . 2_666 ?
O20 Sm5 Sm6 74.6(2) . 1_465 ?
O20 Sm5 Sm6 167.0(2) . 2_756 ?
O20 Sm5 F5 141.9(3) . 2_666 ?
O20 Sm5 F7 81.0(2) . . ?
O20 Sm5 O7 79.2(3) . 2_666 ?
O20 Sm5 O016 76.6(4) . . ?
O016 Sm5 Sm4 164.0(3) . 2_666 ?
O016 Sm5 Sm4 73.7(3) . . ?
O016 Sm5 Sm6 109.5(3) . 1_465 ?
O016 Sm5 Sm6 109.1(3) . 2_756 ?
O016 Sm5 F5 141.5(3) . 2_666 ?
O016 Sm5 F7 78.6(3) . . ?
O016 Sm5 O7 125.7(3) . 2_666 ?
Sm5 Sm4 Sm5 89.60(2) 2_666 . ?
Sm5 Sm4 Sm6 59.77(2) 2_666 1_465 ?
Sm5 Sm4 Sm6 59.94(2) . 2_756 ?
Sm5 Sm4 Sm6 61.57(2) 2_666 2_756 ?
Sm5 Sm4 Sm6 60.66(3) . 1_465 ?
Sm6 Sm4 Sm6 92.06(3) 2_756 1_465 ?
F6 Sm4 Sm5 84.91(12) . . ?
F6 Sm4 Sm5 32.91(15) . 2_666 ?
F6 Sm4 Sm6 33.88(13) . 2_756 ?
F6 Sm4 Sm6 85.44(15) . 1_465 ?
F6 Sm4 F7 100.65(19) . . ?
F6 Sm4 O8 77.7(2) . . ?
F6 Sm4 O22 140.9(3) . . ?
F8 Sm4 Sm5 32.16(14) . . ?
F8 Sm4 Sm5 86.10(13) . 2_666 ?
F8 Sm4 Sm6 33.21(13) . 2_756 ?
F8 Sm4 Sm6 86.07(15) . 1_465 ?
F8 Sm4 F6 65.73(18) . . ?
F8 Sm4 F5 99.8(2) . . ?
F8 Sm4 F7 65.4(2) . . ?
F8 Sm4 O8 141.2(2) . . ?
F8 Sm4 O12 82.1(2) . 2_756 ?
F8 Sm4 O22 139.6(3) . . ?
F5 Sm4 Sm5 84.84(16) . . ?
F5 Sm4 Sm5 34.61(16) . 2_666 ?
F5 Sm4 Sm6 31.08(15) . 1_465 ?
F5 Sm4 Sm6 88.48(17) . 2_756 ?
F5 Sm4 F6 66.6(2) . . ?
F5 Sm4 F7 65.0(2) . . ?
F5 Sm4 O8 75.8(2) . . ?
F5 Sm4 O22 78.0(3) . . ?
F7 Sm4 Sm5 87.08(14) . 2_666 ?
F7 Sm4 Sm5 33.64(14) . . ?
F7 Sm4 Sm6 87.82(13) . 2_756 ?
F7 Sm4 Sm6 34.43(15) . 1_465 ?
O8 Sm4 Sm5 157.88(17) . . ?
O8 Sm4 Sm5 68.38(17) . 2_666 ?
O8 Sm4 Sm6 103.96(18) . 1_465 ?
O8 Sm4 Sm6 108.21(19) . 2_756 ?
O8 Sm4 F7 137.3(2) . . ?
O8 Sm4 O22 78.1(3) . . ?
O12 Sm4 Sm5 105.71(18) 2_756 2_666 ?
O12 Sm4 Sm5 111.88(17) 2_756 . ?
O12 Sm4 Sm6 161.99(18) 2_756 1_465 ?
O12 Sm4 Sm6 70.69(17) 2_756 2_756 ?
O12 Sm4 F6 77.3(2) 2_756 . ?
O12 Sm4 F5 138.9(2) 2_756 . ?
O12 Sm4 F7 144.4(2) 2_756 . ?
O12 Sm4 O8 77.7(3) 2_756 . ?
O12 Sm4 O22 126.0(3) 2_756 . ?
O22 Sm4 Sm5 108.6(2) . . ?
O22 Sm4 Sm5 108.8(2) . 2_666 ?
O22 Sm4 Sm6 71.3(2) . 1_465 ?
O22 Sm4 Sm6 163.3(2) . 2_756 ?
O22 Sm4 F7 77.7(3) . . ?
O014 Sm4 Sm5 71.8(3) . . ?
O014 Sm4 Sm5 161.4(3) . 2_666 ?
O014 Sm4 Sm6 106.4(3) . 2_756 ?
O014 Sm4 Sm6 109.4(3) . 1_465 ?
O014 Sm4 F6 139.6(3) . . ?
O014 Sm4 F8 77.7(3) . . ?
O014 Sm4 F5 139.6(3) . . ?
O014 Sm4 F7 77.9(3) . . ?
O014 Sm4 O8 130.2(3) . . ?
O014 Sm4 O12 81.3(3) . 2_756 ?
O014 Sm4 O22 78.9(4) . . ?
Sm1 Sm2 Sm1 86.60(3) 2_485 . ?
Sm3 Sm2 Sm1 58.41(2) 2_485 2_485 ?
Sm3 Sm2 Sm1 58.17(2) 2_485 . ?
F4 Sm2 Sm1 31.48(12) 2_485 2_485 ?
F4 Sm2 Sm1 82.25(14) 2_485 . ?
F4 Sm2 Sm3 32.31(12) 2_485 2_485 ?
F4 Sm2 F3 96.21(19) 2_485 . ?
F4 Sm2 O17 135.5(2) 2_485 . ?
F4 Sm2 O2 76.7(2) 2_485 2_485 ?
F4 Sm2 O19 131.6(3) 2_485 . ?
F4 Sm2 F2 63.73(19) 2_485 . ?
F3 Sm2 Sm1 83.13(12) . 2_485 ?
F3 Sm2 Sm1 33.26(11) . . ?
F3 Sm2 Sm3 84.29(12) . 2_485 ?
F3 Sm2 O19 132.2(3) . . ?
F1 Sm2 Sm1 31.14(14) . . ?
F1 Sm2 Sm1 83.54(12) . 2_485 ?
F1 Sm2 Sm3 33.16(12) . 2_485 ?
F1 Sm2 F4 64.38(17) . 2_485 ?
F1 Sm2 F3 63.84(18) . . ?
F1 Sm2 O5 138.0(2) . 1_465 ?
F1 Sm2 O17 136.6(2) . . ?
F1 Sm2 O2 76.1(2) . 2_485 ?
F1 Sm2 O19 130.9(2) . . ?
F1 Sm2 F2 96.1(2) . . ?
O5 Sm2 Sm1 152.14(16) 1_465 . ?
O5 Sm2 Sm1 65.60(16) 1_465 2_485 ?
O5 Sm2 Sm3 104.90(16) 1_465 2_485 ?
O5 Sm2 F4 74.9(2) 1_465 2_485 ?
O5 Sm2 F3 133.6(2) 1_465 . ?
O5 Sm2 O17 80.7(3) 1_465 . ?
O5 Sm2 O2 85.2(2) 1_465 2_485 ?
O5 Sm2 O19 71.0(3) 1_465 . ?
O5 Sm2 F2 73.7(2) 1_465 . ?
O17 Sm2 Sm1 104.29(18) . 2_485 ?
O17 Sm2 Sm1 105.8(2) . . ?
O17 Sm2 Sm3 154.7(2) . 2_485 ?
O17 Sm2 F3 74.7(2) . . ?
O17 Sm2 O19 70.5(3) . . ?
O2 Sm2 Sm1 105.1(2) 2_485 . ?
O2 Sm2 Sm1 105.60(18) 2_485 2_485 ?
O2 Sm2 Sm3 67.6(2) 2_485 2_485 ?
O2 Sm2 F3 137.9(2) 2_485 . ?
O2 Sm2 O17 137.8(3) 2_485 . ?
O2 Sm2 O19 67.2(3) 2_485 . ?
O4 Sm2 Sm1 152.9(3) 2_585 2_485 ?
O4 Sm2 Sm1 66.7(3) 2_585 . ?
O4 Sm2 Sm3 107.0(2) 2_585 2_485 ?
O4 Sm2 F4 139.3(2) 2_585 2_485 ?
O4 Sm2 F3 72.2(3) 2_585 . ?
O4 Sm2 F1 75.8(3) 2_585 . ?
O4 Sm2 O5 140.8(3) 2_585 1_465 ?
O4 Sm2 O17 80.2(3) 2_585 . ?
O4 Sm2 O2 86.4(3) 2_585 2_485 ?
O4 Sm2 O19 70.5(3) 2_585 . ?
O4 Sm2 F2 131.7(3) 2_585 . ?
O19 Sm2 Sm1 136.9(2) . . ?
O19 Sm2 Sm1 136.5(2) . 2_485 ?
O19 Sm2 Sm3 134.8(2) . 2_485 ?
F2 Sm2 Sm1 82.01(16) . . ?
F2 Sm2 Sm1 33.21(14) . 2_485 ?
F2 Sm2 Sm3 83.74(14) . 2_485 ?
F2 Sm2 F3 62.07(19) . . ?
F2 Sm2 O17 74.0(2) . . ?
F2 Sm2 O2 138.6(2) . 2_485 ?
F2 Sm2 O19 133.0(2) . . ?
Sm5 Sm6 Sm5 87.54(3) 2_756 1_645 ?
Sm5 Sm6 Sm4 59.62(3) 2_756 2_756 ?
Sm4 Sm6 Sm5 58.26(2) 2_756 1_645 ?
F6 Sm6 Sm5 83.85(13) 2_756 2_756 ?
F6 Sm6 Sm5 30.67(13) 2_756 1_645 ?
F6 Sm6 Sm4 32.87(12) 2_756 2_756 ?
F6 Sm6 F7 62.79(18) 2_756 1_645 ?
F6 Sm6 O24 129.7(3) 2_756 . ?
F8 Sm6 Sm5 32.52(12) 2_756 2_756 ?
F8 Sm6 Sm5 82.36(14) 2_756 1_645 ?
F8 Sm6 Sm4 32.30(12) 2_756 2_756 ?
F8 Sm6 F6 63.87(18) 2_756 2_756 ?
F8 Sm6 F7 97.1(2) 2_756 1_645 ?
F8 Sm6 O10 76.7(2) 2_756 2_756 ?
F8 Sm6 O21 137.6(2) 2_756 1_645 ?
F8 Sm6 O24 134.5(3) 2_756 . ?
F5 Sm6 Sm5 33.63(16) 1_645 2_756 ?
F5 Sm6 Sm5 82.49(18) 1_645 1_645 ?
F5 Sm6 Sm4 84.98(17) 1_645 2_756 ?
F5 Sm6 F6 96.0(2) 1_645 2_756 ?
F5 Sm6 F8 65.0(2) 1_645 2_756 ?
F5 Sm6 F7 63.2(2) 1_645 1_645 ?
F5 Sm6 O10 77.3(3) 1_645 2_756 ?
F5 Sm6 O11 140.7(2) 1_645 . ?
F5 Sm6 O21 135.6(3) 1_645 1_645 ?
F5 Sm6 O23 75.8(3) 1_645 1_645 ?
F5 Sm6 O24 134.0(3) 1_645 . ?
F7 Sm6 Sm5 32.65(12) 1_645 1_645 ?
F7 Sm6 Sm5 84.64(12) 1_645 2_756 ?
F7 Sm6 Sm4 84.53(13) 1_645 2_756 ?
F7 Sm6 O24 128.3(3) 1_645 . ?
O10 Sm6 Sm5 67.9(2) 2_756 2_756 ?
O10 Sm6 Sm5 155.5(2) 2_756 1_645 ?
O10 Sm6 Sm4 105.83(19) 2_756 2_756 ?
O10 Sm6 F6 138.6(2) 2_756 2_756 ?
O10 Sm6 F7 138.2(2) 2_756 1_645 ?
O10 Sm6 O24 71.3(3) 2_756 . ?
O11 Sm6 Sm5 107.06(17) . 2_756 ?
O11 Sm6 Sm5 101.95(18) . 1_645 ?
O11 Sm6 Sm4 65.91(18) . 2_756 ?
O11 Sm6 F6 74.1(2) . 2_756 ?
O11 Sm6 F8 76.8(2) . 2_756 ?
O11 Sm6 F7 133.8(2) . 1_645 ?
O11 Sm6 O10 85.6(2) . 2_756 ?
O11 Sm6 O21 79.8(3) . 1_645 ?
O11 Sm6 O23 136.8(3) . 1_645 ?
O11 Sm6 O24 69.4(3) . . ?
O21 Sm6 Sm5 156.1(2) 1_645 2_756 ?
O21 Sm6 Sm5 68.6(2) 1_645 1_645 ?
O21 Sm6 Sm4 105.5(2) 1_645 2_756 ?
O21 Sm6 F6 76.0(2) 1_645 2_756 ?
O21 Sm6 F7 74.8(3) 1_645 1_645 ?
O21 Sm6 O10 136.0(3) 1_645 2_756 ?
O21 Sm6 O24 64.6(3) 1_645 . ?
O23 Sm6 Sm5 106.2(2) 1_645 2_756 ?
O23 Sm6 Sm5 106.4(2) 1_645 1_645 ?
O23 Sm6 Sm4 157.2(2) 1_645 2_756 ?
O23 Sm6 F6 136.6(3) 1_645 2_756 ?
O23 Sm6 F8 138.5(3) 1_645 2_756 ?
O23 Sm6 F7 76.0(3) 1_645 1_645 ?
O23 Sm6 O10 82.0(3) 1_645 2_756 ?
O23 Sm6 O21 80.9(3) 1_645 1_645 ?
O23 Sm6 O24 67.3(3) 1_645 . ?
O24 Sm6 Sm5 133.2(3) . 1_645 ?
O24 Sm6 Sm5 139.3(3) . 2_756 ?
O24 Sm6 Sm4 135.3(2) . 2_756 ?
Sm5 F6 Sm4 113.6(2) 2_666 . ?
Sm5 F6 Sm6 117.2(2) 2_666 2_756 ?
Sm4 F6 Sm6 113.2(2) . 2_756 ?
Sm1 F4 Sm3 113.3(2) . . ?
Sm1 F4 Sm2 116.0(2) . 2_485 ?
Sm3 F4 Sm2 114.4(2) . 2_485 ?
Sm1 F3 Sm2 112.6(2) . . ?
Sm3 F3 Sm1 110.5(2) . . ?
Sm3 F3 Sm2 115.3(2) . . ?
Sm5 F8 Sm4 115.6(2) . . ?
Sm5 F8 Sm6 113.9(2) . 2_756 ?
Sm4 F8 Sm6 114.5(2) . 2_756 ?
Sm4 F5 Sm5 111.5(3) . 2_666 ?
Sm4 F5 Sm6 118.3(3) . 1_465 ?
Sm6 F5 Sm5 113.0(3) 1_465 2_666 ?
Sm5 F7 Sm4 112.4(2) . . ?
Sm5 F7 Sm6 113.0(2) . 1_465 ?
Sm4 F7 Sm6 112.5(2) . 1_465 ?
Sm1 F1 Sm3 111.0(2) . 2_485 ?
Sm1 F1 Sm2 117.3(2) . . ?
Sm2 F1 Sm3 113.8(2) . 2_485 ?
C79 O13 Sm1 133.8(7) . 1_736 ?
C45 O5 Sm2 136.5(7) . 1_645 ?
C45 O6 Sm1 133.8(7) . 2_575 ?
C46 O8 Sm4 140.0(7) . . ?
C92 O16 Sm1 134.6(8) . 1_636 ?
C79 O14 Sm3 140.1(7) . 2_666 ?
C78 O12 Sm4 132.1(7) . 2_756 ?
C47 O10 Sm6 134.5(9) . 2_756 ?
C32 O3 Sm1 128.3(7) . 2_585 ?
C78 O11 Sm6 137.9(8) . . ?
C1 O2 Sm2 135.4(10) . 2_485 ?
C32 O4 Sm2 133.7(9) . 2_585 ?
C75 C76 C77 120.0 . . ?
C75 C76 C79 121.8(6) . . ?
C77 C76 C79 118.2(6) . . ?
C76 C75 H75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C75 C74 C78 120.5(6) . . ?
C73 C74 C75 120.0 . . ?
C73 C74 C78 119.3(6) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 C74 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C72 C77 120.0 . . ?
C73 C72 C69 120.8(5) . . ?
C77 C72 C69 119.1(5) . . ?
C76 C77 H77 120.0 . . ?
C72 C77 C76 120.0 . . ?
C72 C77 H77 120.0 . . ?
C1 O1 Sm3 142.2(9) . . ?
C46 O7 Sm5 137.6(7) . 2_666 ?
C47 O9 Sm5 143.0(9) . . ?
C042 O21 Sm6 132.2(9) . 1_465 ?
C92 O15 Sm3 133.8(7) . 1_636 ?
C041 O22 Sm4 127.0(9) . . ?
C041 O23 Sm6 129.2(9) . 1_465 ?
C042 O20 Sm5 122.3(7) . . ?
C93 O014 Sm4 128.7(9) . . ?
O5 C45 C41 112.9(9) . . ?
O6 C45 O5 125.2(10) . . ?
O6 C45 C41 121.9(9) . . ?
C93 O016 Sm5 127.9(10) . . ?
C68 C69 C72 121.2(5) . . ?
C68 C69 C70 120.0 . . ?
C70 C69 C72 118.8(5) . . ?
C69 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C67 H67 120.0 . . ?
C66 C67 C68 120.0 . . ?
C66 C67 H67 120.0 . . ?
C67 C66 C62 118.0(6) . . ?
C71 C66 C67 120.0 . . ?
C71 C66 C62 122.0(6) . . ?
C66 C71 H71 120.0 . . ?
C66 C71 C70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C69 C70 H70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C71 C70 H70 120.0 . . ?
O13 C79 O14 126.1(10) . . ?
O13 C79 C76 115.3(9) . . ?
O14 C79 C76 118.6(10) . . ?
O12 C78 C74 117.7(9) . . ?
O11 C78 O12 124.4(11) . . ?
O11 C78 C74 117.8(11) . . ?
O8 C46 O7 122.8(9) . . ?
O8 C46 C43 118.3(10) . . ?
O7 C46 C43 118.7(9) . . ?
C37 C36 C35 120.0 . . ?
C37 C36 C39 119.5(5) . . ?
C35 C36 C39 120.4(5) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C33 120.0 . . ?
C33 C38 H38 120.0 . . ?
C38 C33 C16 120.2(6) . . ?
C34 C33 C38 120.0 . . ?
C34 C33 C16 119.8(6) . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
O10 C47 C48 112.2(12) . . ?
O9 C47 O10 125.8(13) . . ?
O9 C47 C48 121.9(12) . . ?
C62 C61 H61 118.8 . . ?
C60 C61 H61 118.8 . . ?
C60 C61 C62 122.4(10) . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C39 120.0 . . ?
C39 C44 H44 120.0 . . ?
C44 C43 C46 119.3(6) . . ?
C44 C43 C42 120.0 . . ?
C42 C43 C46 120.5(6) . . ?
C43 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C41 C45 118.1(6) . . ?
C40 C41 C45 121.9(6) . . ?
C40 C41 C42 120.0 . . ?
C41 C40 H40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C44 C39 C36 119.3(5) . . ?
C40 C39 C36 120.4(5) . . ?
C40 C39 C44 120.0 . . ?
O16 C92 O15 128.5(10) . . ?
O16 C92 C89 117.4(10) . . ?
O15 C92 C89 113.9(10) . . ?
C91 C86 C87 120.0 . . ?
C91 C86 C83 119.2(8) . . ?
C87 C86 C83 120.6(8) . . ?
C86 C91 H91 120.0 . . ?
C86 C91 C90 120.0 . . ?
C90 C91 H91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C89 C90 C91 120.0 . . ?
C89 C90 H90 120.0 . . ?
C90 C89 C92 118.5(7) . . ?
C90 C89 C88 120.0 . . ?
C88 C89 C92 121.2(7) . . ?
C89 C88 H88 120.0 . . ?
C87 C88 C89 120.0 . . ?
C87 C88 H88 120.0 . . ?
C86 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C88 C87 H87 120.0 . . ?
O3 C32 C29 113.3(15) . . ?
O4 C32 O3 125.4(11) . . ?
O4 C32 C29 121.2(15) . . ?
C60 C65 H65 119.2 . . ?
C64 C65 H65 119.2 . . ?
C64 C65 C60 121.5(12) . . ?
C82 C83 C86 120.1(11) . . ?
C82 C83 C84 119.4(11) . . ?
C84 C83 C86 120.5(11) . . ?
C6 C5 C4 120.0 . . ?
C6 C5 C8 118.3(7) . . ?
C4 C5 C8 121.7(7) . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C2 C7 H7 120.0 . . ?
C7 C2 C1 112.2(9) . . ?
C3 C2 C7 120.0 . . ?
C3 C2 C1 127.5(9) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C61 C62 C66 124.4(9) . . ?
C61 C62 C63 118.5(11) . . ?
C63 C62 C66 117.1(11) . . ?
O2 C1 C2 111.4(14) . . ?
O1 C1 O2 124.8(14) . . ?
O1 C1 C2 123.8(12) . . ?
C81 C80 C64 124.9(12) . . ?
C85 C80 C64 118.0(12) . . ?
C85 C80 C81 117.1(11) . . ?
C62 C63 H63 120.7 . . ?
C62 C63 C64 118.6(12) . . ?
C64 C63 H63 120.7 . . ?
C59 C54 C55 120.0 . . ?
C59 C54 C51 118.3(7) . . ?
C55 C54 C51 121.5(7) . . ?
C54 C59 H59 120.0 . . ?
C54 C59 C58 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C58 H58 120.0 . . ?
C59 C58 C57 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C57 C60 119.4(8) . . ?
C56 C57 C58 120.0 . . ?
C56 C57 C60 120.6(8) . . ?
C57 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
C61 C60 C65 118.8(12) . . ?
C61 C60 C57 122.4(10) . . ?
C65 C60 C57 118.5(11) . . ?
C30 C29 C32 121.9(15) . . ?
C30 C29 C28 118.4(14) . . ?
C28 C29 C32 119.6(15) . . ?
C15 C14 C19 120.0 . . ?
C15 C14 C11 121.4(6) . . ?
C19 C14 C11 118.5(6) . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C33 120.1(6) . . ?
C15 C16 C17 120.0 . . ?
C17 C16 C33 119.8(6) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C20 121.1(8) . . ?
C19 C18 C17 120.0 . . ?
C19 C18 C20 118.7(8) . . ?
C14 C19 H19 120.0 . . ?
C18 C19 C14 120.0 . . ?
C18 C19 H19 120.0 . . ?
C65 C64 C80 123.5(13) . . ?
C65 C64 C63 119.9(11) . . ?
C63 C64 C80 116.6(12) . . ?
C12 C11 C14 121.4(7) . . ?
C12 C11 C10 120.0 . . ?
C10 C11 C14 118.6(7) . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C8 C13 C12 120.0 . . ?
C8 C13 H13 120.0 . . ?
C13 C8 C5 119.7(7) . . ?
C9 C8 C5 120.2(7) . . ?
C9 C8 C13 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C83 C82 H82 120.0 . . ?
C83 C82 C81 119.9(13) . . ?
C81 C82 H82 120.0 . . ?
C80 C81 H81 118.7 . . ?
C82 C81 C80 122.6(13) . . ?
C82 C81 H81 118.7 . . ?
C25 C20 C18 120.3(14) . . ?
C25 C20 C21 118.7(14) . . ?
C21 C20 C18 121.0(13) . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C51 C54 120.6(7) . . ?
C50 C51 C54 119.3(7) . . ?
C50 C51 C52 120.0 . . ?
C51 C50 H50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C48 C47 125.6(8) . . ?
C49 C48 C53 120.0 . . ?
C53 C48 C47 114.3(8) . . ?
C52 C53 H53 120.0 . . ?
C48 C53 C52 120.0 . . ?
C48 C53 H53 120.0 . . ?
C80 C85 H85 119.3 . . ?
C80 C85 C84 121.5(13) . . ?
C84 C85 H85 119.3 . . ?
C26 C31 H31 119.0 . . ?
C26 C31 C30 122.0(15) . . ?
C30 C31 H31 119.0 . . ?
C31 C26 C27 120.6(14) . . ?
C31 C26 C23 119.6(17) . . ?
C27 C26 C23 119.7(16) . . ?
C29 C30 C31 118.8(15) . . ?
C29 C30 H30 120.6 . . ?
C31 C30 H30 120.6 . . ?
C83 C84 H84 120.4 . . ?
C85 C84 C83 119.1(13) . . ?
C85 C84 H84 120.4 . . ?
C29 C28 H28 119.7 . . ?
C27 C28 C29 120.7(16) . . ?
C27 C28 H28 119.7 . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 119.1(17) . . ?
C28 C27 H27 120.5 . . ?
C24 C23 C26 119.8(17) . . ?
C22 C23 C26 120.8(18) . . ?
C22 C23 C24 118.5(15) . . ?
C20 C25 H25 117.9 . . ?
C20 C25 C24 124.2(16) . . ?
C24 C25 H25 117.9 . . ?
C23 C24 H24 120.9 . . ?
C25 C24 C23 118.1(15) . . ?
C25 C24 H24 120.9 . . ?
C20 C21 H21 120.6 . . ?
C20 C21 C22 118.7(17) . . ?
C22 C21 H21 120.6 . . ?
O23 C041 O22 139.3(14) . . ?
O21 C042 O20 138.8(12) . . ?
C23 C22 C21 121.5(19) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
Sm1 F2 Sm2 113.1(2) 2_485 . ?
Sm3 F2 Sm1 111.1(3) . 2_485 ?
Sm3 F2 Sm2 117.1(2) . . ?
O016 C93 O014 133.2(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sm1 O13 C79 O14 -9(2) 1_736 . . . ?
Sm1 O13 C79 C76 169.0(5) 1_736 . . . ?
Sm1 O6 C45 O5 29.9(16) 2_575 . . . ?
Sm1 O6 C45 C41 -147.8(7) 2_575 . . . ?
Sm1 O16 C92 O15 27(2) 1_636 . . . ?
Sm1 O16 C92 C89 -158.9(7) 1_636 . . . ?
Sm1 O3 C32 O4 49.8(16) 2_585 . . . ?
Sm1 O3 C32 C29 -127.0(9) 2_585 . . . ?
Sm3 O14 C79 O13 15(2) 2_666 . . . ?
Sm3 O14 C79 C76 -163.4(7) 2_666 . . . ?
Sm3 O1 C1 O2 -1(3) . . . . ?
Sm3 O1 C1 C2 -178.6(8) . . . . ?
Sm3 O15 C92 O16 -20(2) 1_636 . . . ?
Sm3 O15 C92 C89 165.1(6) 1_636 . . . ?
Sm5 O7 C46 O8 -10(2) 2_666 . . . ?
Sm5 O7 C46 C43 165.2(7) 2_666 . . . ?
Sm5 O9 C47 O10 1(2) . . . . ?
Sm5 O9 C47 C48 178.3(8) . . . . ?
Sm5 O20 C042 O21 24(2) . . . . ?
Sm5 O016 C93 O014 -31(3) . . . . ?
Sm4 O8 C46 O7 14(2) . . . . ?
Sm4 O8 C46 C43 -161.1(7) . . . . ?
Sm4 O12 C78 O11 -35.1(16) 2_756 . . . ?
Sm4 O12 C78 C74 147.0(7) 2_756 . . . ?
Sm4 O22 C041 O23 27(3) . . . . ?
Sm4 O014 C93 O016 27(3) . . . . ?
Sm2 O5 C45 O6 -41.4(16) 1_645 . . . ?
Sm2 O5 C45 C41 136.6(7) 1_645 . . . ?
Sm2 O2 C1 O1 0(2) 2_485 . . . ?
Sm2 O2 C1 C2 177.9(7) 2_485 . . . ?
Sm2 O4 C32 O3 -57.5(17) 2_585 . . . ?
Sm2 O4 C32 C29 119.1(12) 2_585 . . . ?
Sm6 O10 C47 O9 1(2) 2_756 . . . ?
Sm6 O10 C47 C48 -176.9(7) 2_756 . . . ?
Sm6 O11 C78 O12 42.5(17) . . . . ?
Sm6 O11 C78 C74 -139.6(8) . . . . ?
Sm6 O21 C042 O20 -29(2) 1_465 . . . ?
Sm6 O23 C041 O22 -29(3) 1_465 . . . ?
O5 C45 C41 C42 -167.9(6) . . . . ?
O5 C45 C41 C40 11.4(11) . . . . ?
O6 C45 C41 C42 10.0(12) . . . . ?
O6 C45 C41 C40 -170.6(8) . . . . ?
O8 C46 C43 C44 153.3(8) . . . . ?
O8 C46 C43 C42 -31.3(13) . . . . ?
O16 C92 C89 C90 -4.3(14) . . . . ?
O16 C92 C89 C88 169.2(9) . . . . ?
O10 C47 C48 C49 -1.1(14) . . . . ?
O10 C47 C48 C53 177.6(8) . . . . ?
O3 C32 C29 C30 1.5(19) . . . . ?
O3 C32 C29 C28 -175.5(12) . . . . ?
O4 C32 C29 C30 -175.4(13) . . . . ?
O4 C32 C29 C28 8(2) . . . . ?
C76 C75 C74 C73 0.0 . . . . ?
C76 C75 C74 C78 -174.9(8) . . . . ?
C75 C76 C77 C72 0.0 . . . . ?
C75 C76 C79 O13 28.9(13) . . . . ?
C75 C76 C79 O14 -152.7(9) . . . . ?
C75 C74 C73 C72 0.0 . . . . ?
C75 C74 C78 O12 -17.3(13) . . . . ?
C75 C74 C78 O11 164.7(7) . . . . ?
C74 C73 C72 C77 0.0 . . . . ?
C74 C73 C72 C69 175.4(6) . . . . ?
C73 C74 C78 O12 167.8(7) . . . . ?
C73 C74 C78 O11 -10.3(12) . . . . ?
C73 C72 C77 C76 0.0 . . . . ?
C73 C72 C69 C68 -29.1(7) . . . . ?
C73 C72 C69 C70 150.2(4) . . . . ?
C72 C69 C68 C67 179.3(7) . . . . ?
C72 C69 C70 C71 -179.3(7) . . . . ?
C77 C76 C75 C74 0.0 . . . . ?
C77 C76 C79 O13 -150.8(8) . . . . ?
C77 C76 C79 O14 27.6(13) . . . . ?
C77 C72 C69 C68 146.3(5) . . . . ?
C77 C72 C69 C70 -34.4(7) . . . . ?
O7 C46 C43 C44 -22.2(14) . . . . ?
O7 C46 C43 C42 153.2(9) . . . . ?
O9 C47 C48 C49 -178.9(10) . . . . ?
O9 C47 C48 C53 -0.2(16) . . . . ?
O15 C92 C89 C90 171.0(8) . . . . ?
O15 C92 C89 C88 -15.5(14) . . . . ?
C45 C41 C40 C39 -179.3(8) . . . . ?
C69 C72 C77 C76 -175.5(6) . . . . ?
C69 C68 C67 C66 0.0 . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C68 C67 C66 C71 0.0 . . . . ?
C68 C67 C66 C62 179.8(8) . . . . ?
C67 C66 C71 C70 0.0 . . . . ?
C67 C66 C62 C61 -30.3(14) . . . . ?
C67 C66 C62 C63 150.7(9) . . . . ?
C66 C71 C70 C69 0.0 . . . . ?
C66 C62 C63 C64 177.2(11) . . . . ?
C71 C66 C62 C61 149.5(10) . . . . ?
C71 C66 C62 C63 -29.4(14) . . . . ?
C70 C69 C68 C67 0.0 . . . . ?
C79 C76 C75 C74 -179.7(8) . . . . ?
C79 C76 C77 C72 179.7(8) . . . . ?
C78 C74 C73 C72 175.0(8) . . . . ?
C46 C43 C42 C41 -175.4(8) . . . . ?
C36 C37 C38 C33 0.0 . . . . ?
C37 C36 C35 C34 0.0 . . . . ?
C37 C36 C39 C44 39.5(7) . . . . ?
C37 C36 C39 C40 -146.7(4) . . . . ?
C37 C38 C33 C34 0.0 . . . . ?
C37 C38 C33 C16 -178.9(7) . . . . ?
C38 C33 C34 C35 0.0 . . . . ?
C38 C33 C16 C15 -147.9(5) . . . . ?
C38 C33 C16 C17 34.7(8) . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C33 C16 C17 C18 177.4(8) . . . . ?
C34 C33 C16 C15 33.2(8) . . . . ?
C34 C33 C16 C17 -144.2(5) . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C35 C36 C39 C44 -144.2(4) . . . . ?
C35 C36 C39 C40 29.6(7) . . . . ?
C47 C48 C53 C52 -178.8(10) . . . . ?
C61 C62 C63 C64 -1.8(19) . . . . ?
C44 C43 C42 C41 0.0 . . . . ?
C43 C44 C39 C36 173.8(6) . . . . ?
C43 C44 C39 C40 0.0 . . . . ?
C43 C42 C41 C45 179.3(7) . . . . ?
C43 C42 C41 C40 0.0 . . . . ?
C42 C41 C40 C39 0.0 . . . . ?
C41 C40 C39 C36 -173.7(6) . . . . ?
C41 C40 C39 C44 0.0 . . . . ?
C39 C36 C37 C38 176.3(7) . . . . ?
C39 C36 C35 C34 -176.3(7) . . . . ?
C39 C44 C43 C46 175.4(8) . . . . ?
C39 C44 C43 C42 0.0 . . . . ?
C92 C89 C88 C87 -173.4(9) . . . . ?
C86 C91 C90 C89 0.0 . . . . ?
C86 C83 C82 C81 -178.3(13) . . . . ?
C86 C83 C84 C85 173.4(12) . . . . ?
C91 C86 C87 C88 0.0 . . . . ?
C91 C86 C83 C82 -150.0(11) . . . . ?
C91 C86 C83 C84 31.1(16) . . . . ?
C91 C90 C89 C92 173.6(9) . . . . ?
C91 C90 C89 C88 0.0 . . . . ?
C90 C89 C88 C87 0.0 . . . . ?
C89 C88 C87 C86 0.0 . . . . ?
C87 C86 C91 C90 0.0 . . . . ?
C87 C86 C83 C82 34.4(16) . . . . ?
C87 C86 C83 C84 -144.5(11) . . . . ?
C32 C29 C30 C31 178.4(13) . . . . ?
C32 C29 C28 C27 -176.9(14) . . . . ?
C83 C86 C91 C90 -175.6(10) . . . . ?
C83 C86 C87 C88 175.6(10) . . . . ?
C83 C82 C81 C80 2(2) . . . . ?
C5 C6 C7 C2 0.0 . . . . ?
C5 C8 C9 C10 175.8(11) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C6 C5 C8 C13 1.6(12) . . . . ?
C6 C5 C8 C9 -174.3(6) . . . . ?
C6 C7 C2 C3 0.0 . . . . ?
C6 C7 C2 C1 -173.8(11) . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C7 C2 C1 O2 -175.5(8) . . . . ?
C7 C2 C1 O1 2.6(17) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C1 O2 11.3(15) . . . . ?
C3 C2 C1 O1 -170.6(11) . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C4 C5 C8 C13 -176.6(6) . . . . ?
C4 C5 C8 C9 7.6(12) . . . . ?
C62 C66 C71 C70 -179.8(9) . . . . ?
C62 C61 C60 C65 -4(2) . . . . ?
C62 C61 C60 C57 -178.4(11) . . . . ?
C62 C63 C64 C65 4(2) . . . . ?
C62 C63 C64 C80 -177.4(12) . . . . ?
C1 C2 C3 C4 172.8(12) . . . . ?
C80 C85 C84 C83 8(2) . . . . ?
C54 C59 C58 C57 0.0 . . . . ?
C54 C51 C50 C49 177.5(10) . . . . ?
C59 C54 C55 C56 0.0 . . . . ?
C59 C54 C51 C52 -22.4(10) . . . . ?
C59 C54 C51 C50 160.0(6) . . . . ?
C59 C58 C57 C56 0.0 . . . . ?
C59 C58 C57 C60 178.7(10) . . . . ?
C58 C57 C56 C55 0.0 . . . . ?
C58 C57 C60 C61 -142.5(12) . . . . ?
C58 C57 C60 C65 43.1(16) . . . . ?
C57 C56 C55 C54 0.0 . . . . ?
C56 C57 C60 C61 36.2(17) . . . . ?
C56 C57 C60 C65 -138.2(11) . . . . ?
C55 C54 C59 C58 0.0 . . . . ?
C55 C54 C51 C52 153.3(6) . . . . ?
C55 C54 C51 C50 -24.2(11) . . . . ?
C60 C61 C62 C66 -176.9(12) . . . . ?
C60 C61 C62 C63 2.1(19) . . . . ?
C60 C65 C64 C80 175.3(14) . . . . ?
C60 C65 C64 C63 -6(2) . . . . ?
C60 C57 C56 C55 -178.7(10) . . . . ?
C29 C28 C27 C26 -3(3) . . . . ?
C14 C15 C16 C33 -177.4(8) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C14 C11 C12 C13 178.4(10) . . . . ?
C14 C11 C10 C9 -178.5(9) . . . . ?
C15 C14 C19 C18 0.0 . . . . ?
C15 C14 C11 C12 145.2(6) . . . . ?
C15 C14 C11 C10 -36.4(10) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C33 C34 C35 178.9(7) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C16 C17 C18 C20 -174.4(11) . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C17 C18 C20 C25 -157.9(15) . . . . ?
C17 C18 C20 C21 21(2) . . . . ?
C18 C20 C25 C24 178.3(16) . . . . ?
C18 C20 C21 C22 -177.3(17) . . . . ?
C19 C14 C15 C16 0.0 . . . . ?
C19 C14 C11 C12 -31.2(10) . . . . ?
C19 C14 C11 C10 147.2(6) . . . . ?
C19 C18 C20 C25 28(2) . . . . ?
C19 C18 C20 C21 -153.7(16) . . . . ?
C64 C65 C60 C61 6(2) . . . . ?
C64 C65 C60 C57 -179.4(13) . . . . ?
C64 C80 C81 C82 178.2(15) . . . . ?
C64 C80 C85 C84 176.6(14) . . . . ?
C11 C14 C15 C16 -176.4(9) . . . . ?
C11 C14 C19 C18 176.5(8) . . . . ?
C11 C12 C13 C8 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C12 C13 C8 C5 -175.8(11) . . . . ?
C12 C13 C8 C9 0.0 . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C8 C5 C6 C7 -178.2(11) . . . . ?
C8 C5 C4 C3 178.1(11) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C82 C83 C84 C85 -5(2) . . . . ?
C81 C80 C64 C65 -138.2(16) . . . . ?
C81 C80 C64 C63 43(2) . . . . ?
C81 C80 C85 C84 -5(2) . . . . ?
C20 C18 C19 C14 174.5(11) . . . . ?
C20 C25 C24 C23 -4(3) . . . . ?
C20 C21 C22 C23 2(4) . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C51 C54 C59 C58 175.8(9) . . . . ?
C51 C54 C55 C56 -175.7(10) . . . . ?
C51 C52 C53 C48 0.0 . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C50 C49 C48 C47 178.6(11) . . . . ?
C50 C49 C48 C53 0.0 . . . . ?
C49 C48 C53 C52 0.0 . . . . ?
C53 C52 C51 C54 -177.5(10) . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
C85 C80 C64 C65 40(2) . . . . ?
C85 C80 C64 C63 -138.6(15) . . . . ?
C85 C80 C81 C82 0(2) . . . . ?
C31 C26 C27 C28 -1(3) . . . . ?
C31 C26 C23 C24 36(3) . . . . ?
C31 C26 C23 C22 -155(2) . . . . ?
C26 C31 C30 C29 0(3) . . . . ?
C26 C23 C24 C25 175.8(18) . . . . ?
C26 C23 C22 C21 -174.9(19) . . . . ?
C30 C29 C28 C27 6(2) . . . . ?
C30 C31 C26 C27 3(3) . . . . ?
C30 C31 C26 C23 -179.3(16) . . . . ?
C84 C83 C82 C81 1(2) . . . . ?
C28 C29 C30 C31 -5(2) . . . . ?
C27 C26 C23 C24 -146(2) . . . . ?
C27 C26 C23 C22 23(3) . . . . ?
C23 C26 C27 C28 -179.2(16) . . . . ?
C25 C20 C21 C22 1(3) . . . . ?
C24 C23 C22 C21 -6(4) . . . . ?
C21 C20 C25 C24 0(3) . . . . ?
C22 C23 C24 C25 6(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.836 -0.242 -0.410 10528.3 3357.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_THETM01_el1_73b_2_0m_a      
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The structure contains heavily disordered solvent molecules and 
cations. These resulted in weakly diffracting crystals in higher angles. 
Although a high-brilliance IuS microfocus with Cu radiation was used, 
reasonable diffraction data could be obtained only to moderate resolution, 
despite multiple efforts to improve crystal quality.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_el3_407d_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2374029'
loop_
_audit_author_name
_audit_author_address
'Edward Loukopoulos'
;University of Crete
Greece
;
_audit_update_record             
;
2024-07-28 deposited with the CCDC.	2024-12-02 downloaded from the CCDC.
;
_audit_creation_date             2024-07-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C118 H88 Eu6 F10 N4 O26'
_chemical_formula_sum            'C118 H88 Eu6 F10 N4 O26'
_chemical_formula_weight         3079.68
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   24.354(8)
_cell_length_b                   25.255(8)
_cell_length_c                   26.050(7)
_cell_angle_alpha                79.367(9)
_cell_angle_beta                 88.674(9)
_cell_angle_gamma                62.912(9)
_cell_volume                     13986(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    199.99
_cell_measurement_theta_max      21.91
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.984
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_T_max  0.7447
_exptl_absorpt_correction_T_min  0.5104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1455 before and 0.1092 after correction.
The Ratio of minimum to maximum transmission is 0.6854.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.731
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3000
_exptl_crystal_size_max          0.012
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1634
_diffrn_reflns_av_unetI/netI     0.1301
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            163687
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        22.114
_diffrn_reflns_theta_max         22.114
_diffrn_reflns_theta_min         2.183
_diffrn_ambient_temperature      199.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21923
_reflns_number_total             34254
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         8.806
_refine_diff_density_min         -1.669
_refine_diff_density_rms         0.209
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     633
_refine_ls_number_reflns         34254
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1205
_refine_ls_R_factor_gt           0.0944
_refine_ls_restrained_S_all      0.995
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1653P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2471
_refine_ls_wR_factor_ref         0.2678
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C94F-C95F = C99F-C94F = C98F-C99F = C96F-C95F = C102-C101 = C103-C102 = C106-
 C101
 1.39 with sigma of 0.02
 C94F-C93F = C101-C100
 1.54 with sigma of 0.02
 C114-N3D = C115-N3D = C108-N1D = C109-N1D = C117-N4D = C118-N4D = C112-N2D =
 C111-N2D
 1.48 with sigma of 0.02
 C106-O20F
 2.8 with sigma of 0.02
 F10F-O20F
 2.62 with sigma of 0.02
 O22D-C110
 1.25 with sigma of 0.02
 N2D-C110
 1.35 with sigma of 0.02
 Eu6-C116
 3.33 with sigma of 0.01
 O26D-C116
 1.3 with sigma of 0.02
 C79-C76
 1.5 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(N3D) = Uanis(C113) = Uanis(C115) = Uanis(C114) = Uanis(O24D)
Uanis(O15) = Uanis(O16) = Uanis(C92)
Uanis(C24) = Uanis(C20) = Uanis(C25) = Uanis(C23) = Uanis(C21) = Uanis(C22)
Uanis(C29) = Uanis(C30) = Uanis(C31) = Uanis(C26) = Uanis(C27) = Uanis(C28)
Uanis(C32) = Uanis(O6) = Uanis(O5)
Uanis(O8) = Uanis(C33) = Uanis(O7)
Uanis(O18F) = Uanis(O17F) = Uanis(C93F) = Uanis(F9F) = Uanis(C95F) =
Uanis(C94F) = Uanis(C99F) = Uanis(C98F) = Uanis(C96F)
Uanis(O12) = Uanis(O11) = Uanis(C54)
Uanis(O2) = Uanis(O1) = Uanis(C1)
Uanis(C107) = Uanis(N1D) = Uanis(C108) = Uanis(C109) = Uanis(O21D)
Uanis(C83) = Uanis(C82) = Uanis(C81) = Uanis(C80) = Uanis(C85) = Uanis(C84)
Uanis(C50) = Uanis(C51) = Uanis(C52) = Uanis(C53) = Uanis(C48) = Uanis(C49)
Uanis(C86) = Uanis(C91) = Uanis(C90) = Uanis(C89) = Uanis(C88) = Uanis(C87)
Uanis(O19F) = Uanis(O20F) = Uanis(C100) = Uanis(C101) = Uanis(C102) =
Uanis(C103) = Uanis(F10F) = Uanis(C106) = Uanis(C104) = Uanis(C105)
Uanis(C7) = Uanis(C2) = Uanis(C3) = Uanis(C4) = Uanis(C5) = Uanis(C6)
Uanis(C59) = Uanis(C58) = Uanis(C57) = Uanis(C56) = Uanis(C55) = Uanis(C60)
Uanis(C62) = Uanis(C61) = Uanis(C66) = Uanis(C65) = Uanis(C64) = Uanis(C63)
Uanis(C18) = Uanis(C19) = Uanis(C14) = Uanis(C15) = Uanis(C16) = Uanis(C17)
Uanis(O14) = Uanis(O13) = Uanis(C79)
Uanis(O22D) = Uanis(C110) = Uanis(N2D) = Uanis(C111) = Uanis(C112)
Uanis(F9F) = Uanis(C95F) = Uanis(C94F) = Uanis(C99F) = Uanis(C98F) =
Uanis(C96F) = Uanis(C97F) = Uanis(O18F) = Uanis(O17F) = Uanis(C93F)
Uanis(C11) = Uanis(C12) = Uanis(C13) = Uanis(C8) = Uanis(C9) = Uanis(C10)
Uanis(O9) = Uanis(O10) = Uanis(C47)
Uanis(F6) = Uanis(F5)
Uanis(C68) = Uanis(C67) = Uanis(C72) = Uanis(C71) = Uanis(C70) = Uanis(C69)
Uanis(C39) = Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(C37) = Uanis(C38)
Uanis(C42) = Uanis(C43) = Uanis(C44) = Uanis(C45) = Uanis(C40) = Uanis(C41)
4.a Aromatic/amide H refined with riding coordinates:
 C51(H51), C53(H53), C49(H49), C29(H29), C31(H31), C27(H27), C62(H62),
 C66(H66), C64(H64), C42(H42), C44(H44), C45(H45), C41(H41), C24(H24), C25(H25),
  C21(H21), C22(H22), C59(H59), C57(H57), C56(H56), C60(H60), C12(H12),
 C13(H13), C9(H9), C10(H10), C75(H75), C74(H74), C78(H78), C77(H77), C19(H19),
 C15(H15), C17(H17), C82(H82), C81(H81), C85(H85), C84(H84), C91(H91), C90(H90),
  C88(H88), C87(H87), C39(H39), C35(H35), C36(H36), C38(H38), C68(H68),
 C72(H72), C71(H71), C69(H69), C7(H7), C3(H3), C4(H4), C6(H6), C116(H116),
 C107(H107), C113(H113), C102(H102), C103(H103), C104(H104), C105(H105),
 C95F(H95F), C96F(H96F), C97F(H97F), C98F(H98F), C110(H110)
4.b Fitted hexagon refined as free rotating group:
 C50(C51,C52,C53,C48,C49), C29(C30,C31,C26,C27,C28), C62(C61,C66,C65,C64,C63),
 C42(C43,C44,C45,C40,C41), C24(C25,C20,C21,C22,C23), C59(C58,C57,C56,C55,C60),
 C11(C12,C13,C8,C9,C10), C76(C75,C74,C73,C78,C77), C18(C19,C14,C15,C16,C17),
 C83(C82,C81,C80,C85,C84), C86(C91,C90,C89,C88,C87), C39(C34,C35,C36,C37,C38),
 C68(C67,C72,C71,C70,C69), C7(C2,C3,C4,C5,C6), C101(C102,C103,C104,C105,C106),
 C95F(C96F,C97F,C98F,C99F,C94F)
4.c Idealised Me refined as rotating group:
 C118(H11A,H11B,H11C), C117(H11D,H11E,H11F), C108(H10A,H10B,H10C), C111(H11G,
 H11H,H11I), C109(H10D,H10E,H10F), C112(H11J,H11K,H11L), C115(H11M,H11N,H11O),
 C114(H11P,H11Q,H11R)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Eu5 Eu 0.96986(3) 0.97109(3) 0.09991(2) 0.01784(19) Uani 1 1 d . . . . .
Eu2 Eu 1.03292(3) 0.02655(3) 0.58885(2) 0.02105(19) Uani 1 1 d . . . . .
Eu6 Eu 1.10508(3) 0.99832(3) 0.03987(2) 0.02112(19) Uani 1 1 d D . . . .
Eu4 Eu 0.92767(3) 0.12935(3) 0.00218(2) 0.02110(19) Uani 1 1 d . . . . .
Eu1 Eu 1.13035(3) -0.07926(3) 0.48807(3) 0.0258(2) Uani 1 1 d . . . . .
Eu3 Eu 1.00848(3) 0.09756(3) 0.43897(3) 0.0241(2) Uani 1 1 d . . . . .
F8 F 0.9663(3) 0.9277(3) 0.0262(3) 0.0285(18) Uani 1 1 d . . . . .
F2 F 1.0464(3) -0.0029(3) 0.4279(3) 0.0213(16) Uani 1 1 d . . . . .
F5 F 1.0039(3) 1.0446(3) 0.0651(3) 0.0260(13) Uani 1 1 d . . . . .
F4 F 1.0380(3) -0.0954(3) 0.4805(3) 0.0308(19) Uani 1 1 d . . . . .
F6 F 1.0657(3) 0.9274(3) 0.0629(3) 0.0260(13) Uani 1 1 d . . . . .
F7 F 0.9061(3) 1.0444(3) 0.0301(3) 0.0305(19) Uani 1 1 d . . . . .
F3 F 1.0713(3) -0.0675(3) 0.5609(3) 0.0306(19) Uani 1 1 d . . . . .
O12 O 0.8904(4) 0.1381(4) 0.0873(3) 0.0262(14) Uani 1 1 d . . . . .
O7 O 0.0431(4) 0.9521(4) 0.1697(3) 0.0329(15) Uani 1 1 d . . . . .
O11 O 0.9158(4) 0.0495(4) 0.1431(3) 0.0262(14) Uani 1 1 d . . . . .
O9 O 0.9800(4) 0.1140(4) 0.3499(3) 0.0310(15) Uani 1 1 d . . . . .
O6 O 0.0473(4) 0.9145(4) 0.3638(3) 0.0268(14) Uani 1 1 d . . . . .
O5 O 0.1375(4) 0.8851(4) 0.4083(3) 0.0268(14) Uani 1 1 d . . . . .
O8 O 0.1186(4) 0.9722(4) 0.1335(3) 0.0329(15) Uani 1 1 d . . . . .
O2 O 0.8408(4) 0.1823(4) 0.4658(4) 0.0391(17) Uani 1 1 d . . . . .
O10 O 0.9572(4) 0.0435(4) 0.3325(3) 0.0310(15) Uani 1 1 d . . . . .
O15 O 0.1959(4) 0.9059(4) 0.0556(3) 0.0337(15) Uani 1 1 d . . . . .
O14 O 1.0016(4) 0.8667(4) 0.1339(4) 0.0417(17) Uani 1 1 d . . . . .
O3 O 0.8753(4) 0.9678(5) 0.1097(4) 0.047(3) Uani 1 1 d . . . . .
O1 O 0.9176(5) 0.1894(4) 0.4257(4) 0.0391(17) Uani 1 1 d . . . . .
O13 O 1.0599(4) 0.8113(4) 0.0771(4) 0.0417(17) Uani 1 1 d . . . . .
O25D O 0.9922(5) 0.1662(4) 0.0389(4) 0.052(3) Uani 1 1 d . . . . .
O16 O 0.1780(4) 0.8342(4) 0.0303(3) 0.0337(15) Uani 1 1 d . . . . .
O19F O 1.1724(8) -0.0213(8) 0.4363(8) 0.129(3) Uani 1 1 d . . . . .
O18F O 1.1402(8) -0.0209(10) 0.6156(7) 0.154(3) Uani 1 1 d . . . . .
O17F O 1.1940(7) -0.0822(10) 0.5584(8) 0.154(3) Uani 1 1 d . . . . .
C92 C 0.2140(7) 0.8527(7) 0.0487(5) 0.0337(15) Uani 1 1 d . . . . .
O4 O 0.8315(5) 0.9817(5) 0.0272(4) 0.049(3) Uani 1 1 d . . . . .
C54 C 0.9013(6) 0.1079(6) 0.1329(5) 0.0262(14) Uani 1 1 d . . . . .
C33 C 0.0960(6) 0.9543(6) 0.1704(5) 0.0329(15) Uani 1 1 d . . . . .
O21D O 1.2424(6) -0.1438(9) 0.4750(6) 0.142(5) Uani 1 1 d . . . . .
O24D O 0.8657(8) 0.2385(6) 0.0060(6) 0.114(3) Uani 1 1 d . . . . .
C32 C 0.1077(6) 0.8978(6) 0.3660(5) 0.0268(14) Uani 1 1 d . . . . .
C50 C 0.9021(4) 0.1363(3) 0.1770(3) 0.0240(13) Uani 1 1 d G . . . .
C51 C 0.8773(4) 0.1991(3) 0.1678(2) 0.0240(13) Uani 1 1 d G . . . .
H51 H 0.859365 0.222324 0.133986 0.029 Uiso 1 1 calc R U . . .
C52 C 0.8786(4) 0.2280(2) 0.2079(3) 0.0240(13) Uani 1 1 d G . . . .
C53 C 0.9048(4) 0.1940(3) 0.2574(3) 0.0240(13) Uani 1 1 d G . . . .
H53 H 0.905688 0.213707 0.284830 0.029 Uiso 1 1 calc R U . . .
C48 C 0.9296(4) 0.1312(3) 0.2666(2) 0.0240(13) Uani 1 1 d G . . . .
C49 C 0.9283(4) 0.1023(2) 0.2264(3) 0.0240(13) Uani 1 1 d G . . . .
H49 H 0.945256 0.059407 0.232736 0.029 Uiso 1 1 calc R U . . .
C47 C 0.9572(7) 0.0947(6) 0.3219(5) 0.0310(15) Uani 1 1 d . . . . .
C29 C 0.1024(2) 0.9240(4) 0.2682(3) 0.0267(13) Uani 1 1 d G . . . .
H29 H 0.058548 0.941363 0.267452 0.032 Uiso 1 1 calc R U . . .
C30 C 0.1374(3) 0.8968(4) 0.3157(2) 0.0267(13) Uani 1 1 d G . . . .
C31 C 0.2015(3) 0.8713(4) 0.3167(2) 0.0267(13) Uani 1 1 d G . . . .
H31 H 0.225490 0.852699 0.349185 0.032 Uiso 1 1 calc R U . . .
C26 C 0.2305(2) 0.8730(4) 0.2703(3) 0.0267(13) Uani 1 1 d G . . . .
C27 C 0.1955(3) 0.9002(4) 0.2229(2) 0.0267(13) Uani 1 1 d G . . . .
H27 H 0.215313 0.901414 0.191134 0.032 Uiso 1 1 calc R U . . .
C28 C 0.1314(3) 0.9257(4) 0.2218(2) 0.0267(13) Uani 1 1 d G . . . .
O20F O 1.1080(7) 0.0785(7) 0.4003(7) 0.129(3) Uani 1 1 d D . . . .
O26D O 1.1282(8) 1.0722(6) 0.0627(4) 0.089(5) Uani 1 1 d D . . . .
C79 C 1.0141(7) 0.8264(6) 0.1080(6) 0.0417(17) Uani 1 1 d D . . . .
C62 C 0.6990(4) 0.5266(4) 0.1571(5) 0.0505(19) Uani 1 1 d G . . . .
H62 H 0.674459 0.506119 0.157646 0.061 Uiso 1 1 calc R U . . .
C61 C 0.7625(4) 0.4936(3) 0.1686(5) 0.0505(19) Uani 1 1 d G . . . .
C66 C 0.7984(3) 0.5235(4) 0.1679(5) 0.0505(19) Uani 1 1 d G . . . .
H66 H 0.841789 0.500949 0.175718 0.061 Uiso 1 1 calc R U . . .
C65 C 0.7708(4) 0.5865(4) 0.1556(5) 0.0505(19) Uani 1 1 d G . . . .
C64 C 0.7072(4) 0.6195(3) 0.1441(5) 0.0505(19) Uani 1 1 d G . . . .
H64 H 0.688359 0.662557 0.135767 0.061 Uiso 1 1 calc R U . . .
C63 C 0.6714(3) 0.5896(4) 0.1449(5) 0.0505(19) Uani 1 1 d G . . . .
C46 C 0.8355(7) 0.9657(7) 0.0759(7) 0.043(4) Uani 1 1 d . . . . .
C42 C 0.7936(4) 0.9302(5) 0.1554(3) 0.0474(17) Uani 1 1 d G . . . .
H42 H 0.817644 0.940230 0.176244 0.057 Uiso 1 1 calc R U . . .
C43 C 0.7934(4) 0.9426(5) 0.1012(4) 0.0474(17) Uani 1 1 d G . . . .
C44 C 0.7582(5) 0.9279(5) 0.0707(3) 0.0474(17) Uani 1 1 d G . . . .
H44 H 0.758093 0.936369 0.033629 0.057 Uiso 1 1 calc R U . . .
C45 C 0.7231(4) 0.9008(5) 0.0945(3) 0.0474(17) Uani 1 1 d G . . . .
H45 H 0.699054 0.890809 0.073717 0.057 Uiso 1 1 calc R U . . .
C40 C 0.7233(4) 0.8885(5) 0.1488(4) 0.0474(17) Uani 1 1 d G . . . .
C41 C 0.7585(5) 0.9031(5) 0.1792(3) 0.0474(17) Uani 1 1 d G . . . .
H41 H 0.758604 0.894669 0.216333 0.057 Uiso 1 1 calc R U . . .
C24 C 0.3364(3) 0.7894(4) 0.3099(3) 0.0355(15) Uani 1 1 d G . . . .
H24 H 0.316028 0.774870 0.336009 0.043 Uiso 1 1 calc R U . . .
C25 C 0.4005(3) 0.7605(3) 0.3105(3) 0.0355(15) Uani 1 1 d G . . . .
H25 H 0.424026 0.726220 0.337098 0.043 Uiso 1 1 calc R U . . .
C20 C 0.4303(2) 0.7818(4) 0.2723(3) 0.0355(15) Uani 1 1 d G . . . .
C21 C 0.3960(3) 0.8320(4) 0.2334(3) 0.0355(15) Uani 1 1 d G . . . .
H21 H 0.416366 0.846592 0.207313 0.043 Uiso 1 1 calc R U . . .
C22 C 0.3318(3) 0.8609(3) 0.2328(3) 0.0355(15) Uani 1 1 d G . . . .
H22 H 0.308368 0.895243 0.206223 0.043 Uiso 1 1 calc R U . . .
C23 C 0.3020(2) 0.8396(4) 0.2710(3) 0.0355(15) Uani 1 1 d G . . . .
C59 C 0.8432(4) 0.3899(3) 0.2150(3) 0.0319(14) Uani 1 1 d G . . . .
H59 H 0.859436 0.410098 0.232413 0.038 Uiso 1 1 calc R U . . .
C58 C 0.7922(4) 0.4233(2) 0.1792(3) 0.0319(14) Uani 1 1 d G . . . .
C57 C 0.7684(3) 0.3937(3) 0.1537(3) 0.0319(14) Uani 1 1 d G . . . .
H57 H 0.733510 0.416490 0.129228 0.038 Uiso 1 1 calc R U . . .
C56 C 0.7956(4) 0.3307(3) 0.1639(3) 0.0319(14) Uani 1 1 d G . . . .
H56 H 0.779364 0.310459 0.146434 0.038 Uiso 1 1 calc R U . . .
C55 C 0.8466(4) 0.2973(2) 0.1996(3) 0.0319(14) Uani 1 1 d G . . . .
C60 C 0.8704(3) 0.3269(3) 0.2252(3) 0.0319(14) Uani 1 1 d G . . . .
H60 H 0.905291 0.304065 0.249620 0.038 Uiso 1 1 calc R U . . .
C11 C 0.6360(5) 0.5917(3) 0.3153(4) 0.064(2) Uani 1 1 d G . . . .
C12 C 0.6199(4) 0.5641(4) 0.3601(4) 0.064(2) Uani 1 1 d G . . . .
H12 H 0.584544 0.587252 0.377228 0.077 Uiso 1 1 calc R U . . .
C13 C 0.6556(5) 0.5025(4) 0.3799(4) 0.064(2) Uani 1 1 d G . . . .
H13 H 0.644566 0.483626 0.410540 0.077 Uiso 1 1 calc R U . . .
C8 C 0.7073(5) 0.4686(3) 0.3548(4) 0.064(2) Uani 1 1 d G . . . .
C9 C 0.7234(4) 0.4963(4) 0.3100(4) 0.064(2) Uani 1 1 d G . . . .
H9 H 0.758739 0.473093 0.292897 0.077 Uiso 1 1 calc R U . . .
C10 C 0.6877(5) 0.5578(4) 0.2902(4) 0.064(2) Uani 1 1 d G . . . .
H10 H 0.698718 0.576720 0.259584 0.077 Uiso 1 1 calc R U . . .
C76 C 0.9855(4) 0.7837(4) 0.1191(4) 0.042(4) Uani 1 1 d DG . . . .
C75 C 0.9348(5) 0.8001(4) 0.1495(4) 0.060(5) Uani 1 1 d G . . . .
H75 H 0.922366 0.834476 0.165420 0.072 Uiso 1 1 calc R U . . .
C74 C 0.9025(4) 0.7664(5) 0.1567(4) 0.066(6) Uani 1 1 d G . . . .
H74 H 0.867852 0.777599 0.177533 0.079 Uiso 1 1 calc R U . . .
C73 C 0.9207(5) 0.7161(5) 0.1334(5) 0.060(5) Uani 1 1 d G . . . .
C78 C 0.9713(5) 0.6997(4) 0.1030(5) 0.072(6) Uani 1 1 d G . . . .
H78 H 0.983780 0.665348 0.087087 0.086 Uiso 1 1 calc R U . . .
C77 C 1.0037(4) 0.7335(5) 0.0958(4) 0.066(5) Uani 1 1 d G . . . .
H77 H 1.038295 0.722224 0.074974 0.079 Uiso 1 1 calc R U . . .
C1 C 0.8650(7) 0.2125(6) 0.4365(6) 0.0391(17) Uani 1 1 d . . . . .
C18 C 0.5009(3) 0.7500(4) 0.2728(4) 0.0506(19) Uani 1 1 d G . . . .
C19 C 0.5339(4) 0.6886(4) 0.2944(4) 0.0506(19) Uani 1 1 d G . . . .
H19 H 0.512708 0.666687 0.309889 0.061 Uiso 1 1 calc R U . . .
C14 C 0.5979(4) 0.6592(3) 0.2932(4) 0.0506(19) Uani 1 1 d G . . . .
C15 C 0.6289(3) 0.6912(4) 0.2706(4) 0.0506(19) Uani 1 1 d G . . . .
H15 H 0.672584 0.671092 0.269789 0.061 Uiso 1 1 calc R U . . .
C16 C 0.5959(4) 0.7526(4) 0.2490(4) 0.0506(19) Uani 1 1 d G . . . .
C17 C 0.5319(4) 0.7820(3) 0.2502(4) 0.0506(19) Uani 1 1 d G . . . .
H17 H 0.509364 0.824033 0.235447 0.061 Uiso 1 1 calc R U . . .
C83 C 0.4735(3) 0.6955(4) 0.1098(5) 0.062(2) Uani 1 1 d G . . . .
C82 C 0.5045(4) 0.6396(4) 0.0949(5) 0.062(2) Uani 1 1 d G . . . .
H82 H 0.482399 0.625033 0.076854 0.074 Uiso 1 1 calc R U . . .
C81 C 0.5679(4) 0.6051(4) 0.1063(5) 0.062(2) Uani 1 1 d G . . . .
H81 H 0.589131 0.566922 0.096056 0.074 Uiso 1 1 calc R U . . .
C80 C 0.6003(3) 0.6265(4) 0.1326(5) 0.062(2) Uani 1 1 d G . . . .
C85 C 0.5692(4) 0.6824(4) 0.1475(5) 0.062(2) Uani 1 1 d G . . . .
H85 H 0.591366 0.696985 0.165512 0.074 Uiso 1 1 calc R U . . .
C84 C 0.5058(4) 0.7169(4) 0.1361(5) 0.062(2) Uani 1 1 d G . . . .
H84 H 0.484634 0.755096 0.146310 0.074 Uiso 1 1 calc R U . . .
C86 C 0.4039(3) 0.7346(4) 0.0937(5) 0.068(2) Uani 1 1 d G . . . .
C91 C 0.3728(4) 0.7878(5) 0.1130(5) 0.068(2) Uani 1 1 d G . . . .
H91 H 0.394420 0.798837 0.135328 0.082 Uiso 1 1 calc R U . . .
C90 C 0.3101(4) 0.8248(4) 0.0995(5) 0.068(2) Uani 1 1 d G . . . .
H90 H 0.288874 0.861086 0.112619 0.082 Uiso 1 1 calc R U . . .
C89 C 0.2785(3) 0.8086(4) 0.0667(5) 0.068(2) Uani 1 1 d G . . . .
C88 C 0.3096(4) 0.7554(5) 0.0475(5) 0.068(2) Uani 1 1 d G . . . .
H88 H 0.288008 0.744359 0.025106 0.082 Uiso 1 1 calc R U . . .
C87 C 0.3723(4) 0.7184(4) 0.0610(5) 0.068(2) Uani 1 1 d G . . . .
H87 H 0.393555 0.682109 0.047815 0.082 Uiso 1 1 calc R U . . .
C39 C 0.6033(4) 0.8297(5) 0.1761(4) 0.056(2) Uani 1 1 d G . . . .
H39 H 0.565546 0.835783 0.160324 0.067 Uiso 1 1 calc R U . . .
C34 C 0.6286(4) 0.7879(4) 0.2226(4) 0.056(2) Uani 1 1 d G . . . .
C35 C 0.6838(4) 0.7791(4) 0.2458(3) 0.056(2) Uani 1 1 d G . . . .
H35 H 0.701123 0.750520 0.277535 0.067 Uiso 1 1 calc R U . . .
C36 C 0.7136(4) 0.8120(5) 0.2224(4) 0.056(2) Uani 1 1 d G . . . .
H36 H 0.751295 0.805968 0.238177 0.067 Uiso 1 1 calc R U . . .
C37 C 0.6882(4) 0.8538(4) 0.1759(4) 0.056(2) Uani 1 1 d G . . . .
C38 C 0.6331(4) 0.8627(4) 0.1527(3) 0.056(2) Uani 1 1 d G . . . .
H38 H 0.615719 0.891232 0.120964 0.067 Uiso 1 1 calc R U . . .
C68 C 0.7843(4) 0.6797(5) 0.1553(6) 0.075(3) Uani 1 1 d G . . . .
H68 H 0.741989 0.699764 0.162232 0.090 Uiso 1 1 calc R U . . .
C67 C 0.8112(5) 0.6193(5) 0.1504(6) 0.075(3) Uani 1 1 d G . . . .
C72 C 0.8732(5) 0.5899(4) 0.1402(6) 0.075(3) Uani 1 1 d G . . . .
H72 H 0.891506 0.548638 0.136845 0.090 Uiso 1 1 calc R U . . .
C71 C 0.9083(4) 0.6210(5) 0.1350(6) 0.075(3) Uani 1 1 d G . . . .
H71 H 0.950638 0.600930 0.128062 0.090 Uiso 1 1 calc R U . . .
C70 C 0.8814(5) 0.6814(5) 0.1399(6) 0.075(3) Uani 1 1 d G . . . .
C69 C 0.8195(5) 0.7108(4) 0.1501(6) 0.075(3) Uani 1 1 d G . . . .
H69 H 0.801122 0.752058 0.153449 0.090 Uiso 1 1 calc R U . . .
C93F C 1.1863(12) -0.0648(15) 0.6060(10) 0.154(3) Uani 1 1 d D . . . .
N4D N 1.1557(9) 1.1512(8) 0.0352(7) 0.094(6) Uani 1 1 d D . . . .
C7 C 0.7627(4) 0.3052(4) 0.4308(4) 0.061(2) Uani 1 1 d G . . . .
H7 H 0.746741 0.282364 0.453481 0.073 Uiso 1 1 calc R U . . .
C2 C 0.8234(4) 0.2773(3) 0.4170(4) 0.061(2) Uani 1 1 d G . . . .
C3 C 0.8468(3) 0.3108(4) 0.3838(4) 0.061(2) Uani 1 1 d G . . . .
H3 H 0.888328 0.291727 0.374370 0.073 Uiso 1 1 calc R U . . .
C4 C 0.8095(4) 0.3721(4) 0.3644(4) 0.061(2) Uani 1 1 d G . . . .
H4 H 0.825490 0.395011 0.341715 0.073 Uiso 1 1 calc R U . . .
C5 C 0.7488(4) 0.4000(3) 0.3782(4) 0.061(2) Uani 1 1 d G . . . .
C6 C 0.7254(3) 0.3666(4) 0.4114(4) 0.061(2) Uani 1 1 d G . . . .
H6 H 0.683901 0.385650 0.420826 0.073 Uiso 1 1 calc R U . . .
C100 C 1.1607(12) 0.0257(13) 0.4098(11) 0.129(3) Uani 1 1 d D . . . .
C116 C 1.1292(9) 1.1185(6) 0.0272(9) 0.095(8) Uani 1 1 d D . . . .
H116 H 1.108712 1.127763 -0.006261 0.114 Uiso 1 1 calc R U . . .
C107 C 1.2797(10) -0.1790(13) 0.5055(9) 0.142(5) Uani 1 1 d . . . . .
H107 H 1.268215 -0.180555 0.540624 0.171 Uiso 1 1 calc R U . . .
N3D N 0.7854(9) 0.3337(8) -0.0220(7) 0.114(3) Uani 1 1 d D . . . .
C113 C 0.8313(12) 0.2789(9) -0.0293(10) 0.114(3) Uani 1 1 d . . . . .
H113 H 0.836837 0.271835 -0.064051 0.136 Uiso 1 1 calc R U . . .
N1D N 1.3379(7) -0.2190(11) 0.4988(6) 0.142(5) Uani 1 1 d D . . . .
C101 C 1.2105(7) 0.0268(7) 0.3737(7) 0.129(3) Uani 1 1 d DG . . . .
C102 C 1.2554(8) -0.0288(6) 0.3649(7) 0.129(3) Uani 1 1 d DG . . . .
H102 H 1.251851 -0.064697 0.378232 0.154 Uiso 1 1 calc R U . . .
C103 C 1.3055(7) -0.0321(6) 0.3365(7) 0.129(3) Uani 1 1 d DG . . . .
H103 H 1.336204 -0.070115 0.330467 0.154 Uiso 1 1 calc R U . . .
C104 C 1.3107(6) 0.0204(7) 0.3169(7) 0.129(3) Uani 1 1 d G . . . .
H104 H 1.344995 0.018188 0.297527 0.154 Uiso 1 1 calc R U . . .
C105 C 1.2659(7) 0.0761(6) 0.3257(7) 0.129(3) Uani 1 1 d G . . . .
H105 H 1.269433 0.111909 0.312352 0.154 Uiso 1 1 calc R U . . .
C106 C 1.2158(6) 0.0793(6) 0.3541(7) 0.129(3) Uani 1 1 d DG . . . .
C118 C 1.1535(15) 1.1964(11) -0.0095(9) 0.153(14) Uani 1 1 d D . . . .
H11A H 1.195467 1.185878 -0.020241 0.229 Uiso 1 1 calc R U . . .
H11B H 1.135461 1.236363 0.000166 0.229 Uiso 1 1 calc R U . . .
H11C H 1.128037 1.197422 -0.038672 0.229 Uiso 1 1 calc R U . . .
C117 C 1.1870(13) 1.1379(12) 0.0855(9) 0.136(11) Uani 1 1 d D . . . .
H11D H 1.170714 1.116355 0.111575 0.204 Uiso 1 1 calc R U . . .
H11E H 1.180143 1.175833 0.095635 0.204 Uiso 1 1 calc R U . . .
H11F H 1.231360 1.112449 0.083739 0.204 Uiso 1 1 calc R U . . .
C108 C 1.3565(9) -0.2194(12) 0.4460(7) 0.142(5) Uani 1 1 d D . . . .
H10A H 1.333700 -0.234002 0.426893 0.214 Uiso 1 1 calc R U . . .
H10B H 1.400969 -0.246232 0.446551 0.214 Uiso 1 1 calc R U . . .
H10C H 1.347560 -0.178166 0.428560 0.214 Uiso 1 1 calc R U . . .
F1 F 1.0786(3) 0.0268(3) 0.5086(3) 0.0327(19) Uani 1 1 d . . . . .
O23D O 1.0367(6) 0.1661(6) 0.4720(5) 0.079(4) Uani 1 1 d . . . . .
O22D O 1.0510(8) 0.1096(7) 0.5948(7) 0.127(4) Uani 1 1 d D . . . .
F10F F 1.1748(6) 0.1348(6) 0.3635(6) 0.129(3) Uani 1 1 d D . . . .
N2D N 1.0374(9) 0.1988(9) 0.6153(9) 0.127(4) Uani 1 1 d D . . . .
F9F F 1.3180(6) -0.1362(8) 0.6013(6) 0.154(3) Uani 1 1 d . . . . .
C111 C 1.0949(11) 0.1937(11) 0.5912(10) 0.127(4) Uani 1 1 d D . . . .
H11G H 1.087761 0.203427 0.552946 0.190 Uiso 1 1 calc R U . . .
H11H H 1.128047 0.152207 0.602001 0.190 Uiso 1 1 calc R U . . .
H11I H 1.106867 0.222089 0.602556 0.190 Uiso 1 1 calc R U . . .
C95F C 1.2055(5) -0.1106(9) 0.7036(8) 0.154(3) Uani 1 1 d DG . . . .
H95F H 1.162174 -0.089581 0.706664 0.185 Uiso 1 1 calc R U . . .
C96F C 1.2449(8) -0.1457(10) 0.7478(6) 0.154(3) Uani 1 1 d DG . . . .
H96F H 1.228484 -0.148656 0.781086 0.185 Uiso 1 1 calc R U . . .
C97F C 1.3083(7) -0.1764(8) 0.7434(6) 0.154(3) Uani 1 1 d G . . . .
H97F H 1.335180 -0.200413 0.773615 0.185 Uiso 1 1 calc R U . . .
C98F C 1.3322(5) -0.1721(9) 0.6948(7) 0.154(3) Uani 1 1 d DG . . . .
H98F H 1.375566 -0.193097 0.691721 0.185 Uiso 1 1 calc R U . . .
C99F C 1.2929(8) -0.1370(10) 0.6505(6) 0.154(3) Uani 1 1 d DG . . . .
C94F C 1.2295(8) -0.1062(9) 0.6550(6) 0.154(3) Uani 1 1 d DG . . . .
C109 C 1.3912(9) -0.2529(12) 0.5407(8) 0.142(5) Uani 1 1 d D . . . .
H10D H 1.414694 -0.230087 0.540762 0.214 Uiso 1 1 calc R U . . .
H10E H 1.418446 -0.293098 0.533235 0.214 Uiso 1 1 calc R U . . .
H10F H 1.374858 -0.257485 0.575054 0.214 Uiso 1 1 calc R U . . .
C112 C 0.9950(11) 0.2533(10) 0.6390(10) 0.127(4) Uani 1 1 d D . . . .
H11J H 1.017878 0.274919 0.646175 0.190 Uiso 1 1 calc R U . . .
H11K H 0.980588 0.239449 0.671647 0.190 Uiso 1 1 calc R U . . .
H11L H 0.959439 0.280697 0.614209 0.190 Uiso 1 1 calc R U . . .
C115 C 0.7477(11) 0.3765(9) -0.0690(8) 0.114(3) Uani 1 1 d D . . . .
H11M H 0.763016 0.406203 -0.080941 0.170 Uiso 1 1 calc R U . . .
H11N H 0.704520 0.397622 -0.060601 0.170 Uiso 1 1 calc R U . . .
H11O H 0.750471 0.354206 -0.096835 0.170 Uiso 1 1 calc R U . . .
C114 C 0.7549(11) 0.3418(9) 0.0263(8) 0.114(3) Uani 1 1 d D . . . .
H11P H 0.765276 0.302056 0.048089 0.170 Uiso 1 1 calc R U . . .
H11Q H 0.710083 0.364541 0.018401 0.170 Uiso 1 1 calc R U . . .
H11R H 0.768752 0.364318 0.045063 0.170 Uiso 1 1 calc R U . . .
C110 C 1.0218(12) 0.1535(10) 0.6195(10) 0.127(4) Uani 1 1 d D . . . .
H110 H 0.989312 0.153780 0.640629 0.152 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
Eu5 Eu6 3.8951(13) 2_775 ?
Eu5 Eu6 3.8975(14) . ?
Eu5 Eu4 4.0171(14) 1_565 ?
Eu5 F8 2.402(7) . ?
Eu5 F5 2.388(7) . ?
Eu5 F6 2.353(6) . ?
Eu5 F7 2.326(7) . ?
Eu5 O7 2.401(9) 1_655 ?
Eu5 O11 2.303(8) 1_565 ?
Eu5 O14 2.376(9) . ?
Eu5 O3 2.348(10) . ?
Eu5 C79 3.270(12) . ?
Eu2 Eu1 4.0199(15) 2_756 ?
Eu2 Eu1 4.0235(12) . ?
Eu2 Eu3 3.9199(14) . ?
Eu2 Eu3 3.8880(14) 2_756 ?
Eu2 F2 2.336(7) 2_756 ?
Eu2 F4 2.349(7) 2_756 ?
Eu2 F3 2.373(7) . ?
Eu2 O6 2.340(8) 2_666 ?
Eu2 O10 2.383(8) 2_756 ?
Eu2 O18F 2.382(17) . ?
Eu2 F1 2.347(7) . ?
Eu2 O22D 2.361(17) . ?
Eu6 Eu4 4.0692(15) 1_565 ?
Eu6 Eu4 3.9897(14) 2_765 ?
Eu6 F8 2.339(7) 2_775 ?
Eu6 F5 2.336(6) . ?
Eu6 F6 2.372(7) . ?
Eu6 F7 2.363(6) 2_775 ?
Eu6 O8 2.394(9) 1_655 ?
Eu6 O15 2.344(9) 1_655 ?
Eu6 O4 2.441(10) 2_775 ?
Eu6 O26D 2.354(12) . ?
Eu4 F8 2.490(7) 2_765 ?
Eu4 F5 2.438(7) 1_545 ?
Eu4 F6 2.372(7) 2_765 ?
Eu4 F7 2.416(7) 1_545 ?
Eu4 O12 2.386(8) . ?
Eu4 O13 2.417(10) 2_765 ?
Eu4 O25D 2.446(11) . ?
Eu4 O16 2.417(9) 2_665 ?
Eu4 O24D 2.489(13) . ?
Eu1 Eu3 4.0073(14) 2_756 ?
Eu1 F2 2.408(7) . ?
Eu1 F4 2.479(8) . ?
Eu1 F3 2.333(7) . ?
Eu1 O5 2.385(8) 1_645 ?
Eu1 O2 2.436(9) 2_756 ?
Eu1 O19F 2.363(17) . ?
Eu1 O17F 2.397(19) . ?
Eu1 O21D 2.516(14) . ?
Eu1 F1 2.543(7) . ?
Eu3 F2 2.346(6) . ?
Eu3 F4 2.364(7) 2_756 ?
Eu3 F3 2.387(8) 2_756 ?
Eu3 O9 2.344(8) . ?
Eu3 O1 2.337(9) . ?
Eu3 O20F 2.476(13) . ?
Eu3 F1 2.360(7) . ?
Eu3 O23D 2.424(12) . ?
O12 C54 1.249(14) . ?
O7 C33 1.317(16) . ?
O11 C54 1.326(15) . ?
O9 C47 1.214(15) . ?
O6 C32 1.331(16) . ?
O5 C32 1.240(15) . ?
O8 C33 1.215(16) . ?
O2 C1 1.297(18) . ?
O10 C47 1.272(15) . ?
O15 C92 1.256(16) . ?
O14 C79 1.243(16) . ?
O3 C46 1.349(17) . ?
O1 C1 1.193(17) . ?
O13 C79 1.312(16) . ?
O16 C92 1.301(16) . ?
O19F C100 1.17(3) . ?
O18F C93F 1.23(3) . ?
O17F C93F 1.37(3) . ?
C92 C89 1.475(15) . ?
O4 C46 1.250(18) . ?
C54 C50 1.467(14) . ?
C33 C28 1.478(15) . ?
O21D C107 1.13(2) . ?
O24D C113 1.22(2) . ?
C32 C30 1.482(14) . ?
C50 C51 1.3900 . ?
C50 C49 1.3900 . ?
C51 H51 0.9500 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C52 C55 1.532(7) . ?
C53 H53 0.9500 . ?
C53 C48 1.3900 . ?
C48 C49 1.3900 . ?
C48 C47 1.539(14) . ?
C49 H49 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.3900 . ?
C29 C28 1.3900 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C26 1.3900 . ?
C26 C27 1.3900 . ?
C26 C23 1.550(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.3900 . ?
O20F C100 1.35(3) . ?
O26D C116 1.358(14) . ?
C79 C76 1.516(9) . ?
C62 H62 0.9500 . ?
C62 C61 1.3900 . ?
C62 C63 1.3900 . ?
C61 C66 1.3900 . ?
C61 C58 1.553(8) . ?
C66 H66 0.9500 . ?
C66 C65 1.3900 . ?
C65 C64 1.3900 . ?
C65 C67 1.539(10) . ?
C64 H64 0.9500 . ?
C64 C63 1.3900 . ?
C63 C80 1.554(9) . ?
C46 C43 1.482(17) . ?
C42 H42 0.9500 . ?
C42 C43 1.3900 . ?
C42 C41 1.3900 . ?
C43 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C40 1.3900 . ?
C40 C41 1.3900 . ?
C40 C37 1.554(9) . ?
C41 H41 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C24 C23 1.3900 . ?
C25 H25 0.9500 . ?
C25 C20 1.3900 . ?
C20 C21 1.3900 . ?
C20 C18 1.529(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C23 1.3900 . ?
C59 H59 0.9500 . ?
C59 C58 1.3900 . ?
C59 C60 1.3900 . ?
C58 C57 1.3900 . ?
C57 H57 0.9500 . ?
C57 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C55 1.3900 . ?
C55 C60 1.3900 . ?
C60 H60 0.9500 . ?
C11 C12 1.3900 . ?
C11 C10 1.3900 . ?
C11 C14 1.522(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C8 1.3900 . ?
C8 C9 1.3900 . ?
C8 C5 1.561(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C76 C75 1.3900 . ?
C76 C77 1.3900 . ?
C75 H75 0.9500 . ?
C75 C74 1.3900 . ?
C74 H74 0.9500 . ?
C74 C73 1.3900 . ?
C73 C78 1.3900 . ?
C73 C70 1.553(10) . ?
C78 H78 0.9500 . ?
C78 C77 1.3900 . ?
C77 H77 0.9500 . ?
C1 C2 1.473(15) . ?
C18 C19 1.3900 . ?
C18 C17 1.3900 . ?
C19 H19 0.9500 . ?
C19 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C16 C34 1.516(9) . ?
C17 H17 0.9500 . ?
C83 C82 1.3900 . ?
C83 C84 1.3900 . ?
C83 C86 1.542(9) . ?
C82 H82 0.9500 . ?
C82 C81 1.3900 . ?
C81 H81 0.9500 . ?
C81 C80 1.3900 . ?
C80 C85 1.3900 . ?
C85 H85 0.9500 . ?
C85 C84 1.3900 . ?
C84 H84 0.9500 . ?
C86 C91 1.3900 . ?
C86 C87 1.3900 . ?
C91 H91 0.9500 . ?
C91 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C89 1.3900 . ?
C89 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C87 1.3900 . ?
C87 H87 0.9500 . ?
C39 H39 0.9500 . ?
C39 C34 1.3900 . ?
C39 C38 1.3900 . ?
C34 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C38 H38 0.9500 . ?
C68 H68 0.9500 . ?
C68 C67 1.3900 . ?
C68 C69 1.3900 . ?
C67 C72 1.3900 . ?
C72 H72 0.9500 . ?
C72 C71 1.3900 . ?
C71 H71 0.9500 . ?
C71 C70 1.3900 . ?
C70 C69 1.3900 . ?
C69 H69 0.9500 . ?
C93F C94F 1.549(17) . ?
N4D C116 1.303(19) . ?
N4D C118 1.456(16) . ?
N4D C117 1.437(16) . ?
C7 H7 0.9500 . ?
C7 C2 1.3900 . ?
C7 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 H6 0.9500 . ?
C100 C101 1.526(16) . ?
C116 H116 0.9500 . ?
C107 H107 0.9500 . ?
C107 N1D 1.35(2) . ?
N3D C113 1.37(3) . ?
N3D C115 1.473(15) . ?
N3D C114 1.446(16) . ?
C113 H113 0.9500 . ?
N1D C108 1.439(16) . ?
N1D C109 1.522(15) . ?
C101 C102 1.3900 . ?
C101 C106 1.3900 . ?
C102 H102 0.9500 . ?
C102 C103 1.3900 . ?
C103 H103 0.9500 . ?
C103 C104 1.3900 . ?
C104 H104 0.9500 . ?
C104 C105 1.3900 . ?
C105 H105 0.9500 . ?
C105 C106 1.3900 . ?
C106 F10F 1.365(16) . ?
C118 H11A 0.9800 . ?
C118 H11B 0.9800 . ?
C118 H11C 0.9800 . ?
C117 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C108 H10A 0.9800 . ?
C108 H10B 0.9800 . ?
C108 H10C 0.9800 . ?
O22D C110 1.294(16) . ?
N2D C111 1.483(17) . ?
N2D C112 1.527(16) . ?
N2D C110 1.347(17) . ?
F9F C99F 1.410(18) . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C111 H11I 0.9800 . ?
C95F H95F 0.9500 . ?
C95F C96F 1.3900 . ?
C95F C94F 1.3900 . ?
C96F H96F 0.9500 . ?
C96F C97F 1.3900 . ?
C97F H97F 0.9500 . ?
C97F C98F 1.3900 . ?
C98F H98F 0.9500 . ?
C98F C99F 1.3900 . ?
C99F C94F 1.3900 . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C112 H11J 0.9800 . ?
C112 H11K 0.9800 . ?
C112 H11L 0.9800 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C115 H11O 0.9800 . ?
C114 H11P 0.9800 . ?
C114 H11Q 0.9800 . ?
C114 H11R 0.9800 . ?
C110 H110 0.9500 . ?

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
Eu6 Eu5 Eu6 90.35(3) 2_775 . ?
Eu6 Eu5 Eu4 60.54(2) 2_775 1_565 ?
Eu6 Eu5 Eu4 61.86(2) . 1_565 ?
F8 Eu5 Eu6 88.63(17) . . ?
F8 Eu5 Eu6 34.23(16) . 2_775 ?
F8 Eu5 Eu4 89.40(16) . 1_565 ?
F8 Eu5 C79 56.7(3) . . ?
F5 Eu5 Eu6 33.97(16) . . ?
F5 Eu5 Eu6 86.56(16) . 2_775 ?
F5 Eu5 Eu4 34.06(17) . 1_565 ?
F5 Eu5 F8 103.8(2) . . ?
F5 Eu5 O7 80.3(3) . 1_655 ?
F5 Eu5 C79 138.9(3) . . ?
F6 Eu5 Eu6 86.32(17) . 2_775 ?
F6 Eu5 Eu6 34.58(18) . . ?
F6 Eu5 Eu4 89.34(18) . 1_565 ?
F6 Eu5 F8 66.8(2) . . ?
F6 Eu5 F5 68.0(2) . . ?
F6 Eu5 O7 76.7(3) . 1_655 ?
F6 Eu5 O14 79.8(3) . . ?
F6 Eu5 C79 71.0(3) . . ?
F7 Eu5 Eu6 34.13(16) . 2_775 ?
F7 Eu5 Eu6 87.17(18) . . ?
F7 Eu5 Eu4 32.80(18) . 1_565 ?
F7 Eu5 F8 68.1(2) . . ?
F7 Eu5 F5 66.1(2) . . ?
F7 Eu5 F6 102.5(2) . . ?
F7 Eu5 O7 143.3(3) . 1_655 ?
F7 Eu5 O14 137.2(3) . . ?
F7 Eu5 O3 76.5(3) . . ?
F7 Eu5 C79 122.5(3) . . ?
O7 Eu5 Eu6 161.5(2) 1_655 2_775 ?
O7 Eu5 Eu6 71.5(2) 1_655 . ?
O7 Eu5 Eu4 111.2(2) 1_655 1_565 ?
O7 Eu5 F8 137.8(3) 1_655 . ?
O7 Eu5 C79 92.4(4) 1_655 . ?
O11 Eu5 Eu6 106.0(2) 1_565 . ?
O11 Eu5 Eu6 112.1(2) 1_565 2_775 ?
O11 Eu5 Eu4 70.9(2) 1_565 1_565 ?
O11 Eu5 F8 144.7(3) 1_565 . ?
O11 Eu5 F5 76.3(3) 1_565 . ?
O11 Eu5 F6 138.7(3) 1_565 . ?
O11 Eu5 F7 80.4(3) 1_565 . ?
O11 Eu5 O7 77.5(3) 1_565 1_655 ?
O11 Eu5 O14 125.7(3) 1_565 . ?
O11 Eu5 O3 77.9(3) 1_565 . ?
O11 Eu5 C79 141.7(3) 1_565 . ?
O14 Eu5 Eu6 105.2(3) . 2_775 ?
O14 Eu5 Eu6 111.9(2) . . ?
O14 Eu5 Eu4 162.9(2) . 1_565 ?
O14 Eu5 F8 74.2(3) . . ?
O14 Eu5 F5 145.1(3) . . ?
O14 Eu5 O7 79.3(3) . 1_655 ?
O14 Eu5 C79 17.8(4) . . ?
O3 Eu5 Eu6 72.5(3) . 2_775 ?
O3 Eu5 Eu6 162.4(3) . . ?
O3 Eu5 Eu4 104.8(3) . 1_565 ?
O3 Eu5 F8 79.4(3) . . ?
O3 Eu5 F5 137.3(3) . . ?
O3 Eu5 F6 143.3(3) . . ?
O3 Eu5 O7 125.9(3) . 1_655 ?
O3 Eu5 O14 77.4(3) . . ?
O3 Eu5 C79 78.8(3) . . ?
C79 Eu5 Eu6 88.9(3) . 2_775 ?
C79 Eu5 Eu6 105.4(2) . . ?
C79 Eu5 Eu4 145.1(3) . 1_565 ?
Eu1 Eu2 Eu1 93.48(3) 2_756 . ?
Eu3 Eu2 Eu1 60.84(2) 2_756 . ?
Eu3 Eu2 Eu1 60.61(2) . 2_756 ?
Eu3 Eu2 Eu1 61.55(2) 2_756 2_756 ?
Eu3 Eu2 Eu1 61.25(2) . . ?
Eu3 Eu2 Eu3 90.17(2) 2_756 . ?
F2 Eu2 Eu1 32.63(16) 2_756 2_756 ?
F2 Eu2 Eu1 87.22(16) 2_756 . ?
F2 Eu2 Eu3 84.80(16) 2_756 . ?
F2 Eu2 Eu3 33.95(15) 2_756 2_756 ?
F2 Eu2 F4 66.6(2) 2_756 2_756 ?
F2 Eu2 F3 68.2(2) 2_756 . ?
F2 Eu2 O6 76.5(3) 2_756 2_666 ?
F2 Eu2 O10 79.6(3) 2_756 2_756 ?
F2 Eu2 O18F 141.0(6) 2_756 . ?
F2 Eu2 F1 103.1(2) 2_756 . ?
F2 Eu2 O22D 141.6(5) 2_756 . ?
F4 Eu2 Eu1 34.68(19) 2_756 2_756 ?
F4 Eu2 Eu1 89.80(16) 2_756 . ?
F4 Eu2 Eu3 89.04(18) 2_756 2_756 ?
F4 Eu2 Eu3 33.86(17) 2_756 . ?
F4 Eu2 F3 103.2(2) 2_756 . ?
F4 Eu2 O10 142.7(3) 2_756 2_756 ?
F4 Eu2 O18F 141.2(5) 2_756 . ?
F4 Eu2 O22D 83.5(5) 2_756 . ?
F3 Eu2 Eu1 30.95(18) . . ?
F3 Eu2 Eu1 88.97(17) . 2_756 ?
F3 Eu2 Eu3 84.86(17) . . ?
F3 Eu2 Eu3 35.34(18) . 2_756 ?
F3 Eu2 O10 76.7(3) . 2_756 ?
F3 Eu2 O18F 77.0(6) . . ?
O6 Eu2 Eu1 163.2(2) 2_666 . ?
O6 Eu2 Eu1 70.6(2) 2_666 2_756 ?
O6 Eu2 Eu3 112.4(2) 2_666 . ?
O6 Eu2 Eu3 105.3(2) 2_666 2_756 ?
O6 Eu2 F4 80.1(3) 2_666 2_756 ?
O6 Eu2 F3 139.1(3) 2_666 . ?
O6 Eu2 O10 77.2(3) 2_666 2_756 ?
O6 Eu2 O18F 125.4(5) 2_666 . ?
O6 Eu2 F1 144.1(3) 2_666 . ?
O6 Eu2 O22D 75.2(5) 2_666 . ?
O10 Eu2 Eu1 104.1(2) 2_756 . ?
O10 Eu2 Eu1 109.0(2) 2_756 2_756 ?
O10 Eu2 Eu3 159.2(2) 2_756 . ?
O10 Eu2 Eu3 69.3(2) 2_756 2_756 ?
O18F Eu2 Eu1 70.4(5) . . ?
O18F Eu2 Eu1 163.9(5) . 2_756 ?
O18F Eu2 Eu3 108.0(6) . 2_756 ?
O18F Eu2 Eu3 109.5(5) . . ?
O18F Eu2 O10 75.8(5) . 2_756 ?
F1 Eu2 Eu1 36.25(18) . . ?
F1 Eu2 Eu1 89.63(17) . 2_756 ?
F1 Eu2 Eu3 89.86(19) . 2_756 ?
F1 Eu2 Eu3 33.71(17) . . ?
F1 Eu2 F4 67.5(2) . 2_756 ?
F1 Eu2 F3 66.7(3) . . ?
F1 Eu2 O10 138.6(3) . 2_756 ?
F1 Eu2 O18F 77.6(5) . . ?
F1 Eu2 O22D 85.7(5) . . ?
O22D Eu2 Eu1 117.2(4) . . ?
O22D Eu2 Eu1 112.1(4) . 2_756 ?
O22D Eu2 Eu3 172.3(5) . 2_756 ?
O22D Eu2 Eu3 82.7(5) . . ?
O22D Eu2 F3 145.5(4) . . ?
O22D Eu2 O10 118.0(5) . 2_756 ?
O22D Eu2 O18F 77.2(7) . . ?
Eu5 Eu6 Eu5 89.64(3) 2_775 . ?
Eu5 Eu6 Eu4 61.24(2) 2_775 2_765 ?
Eu5 Eu6 Eu4 60.52(3) . 1_565 ?
Eu5 Eu6 Eu4 61.25(2) . 2_765 ?
Eu5 Eu6 Eu4 60.56(2) 2_775 1_565 ?
Eu4 Eu6 Eu4 93.40(3) 2_765 1_565 ?
F8 Eu6 Eu5 88.00(17) 2_775 . ?
F8 Eu6 Eu5 35.29(17) 2_775 2_775 ?
F8 Eu6 Eu4 33.75(16) 2_775 1_565 ?
F8 Eu6 Eu4 90.98(17) 2_775 2_765 ?
F8 Eu6 F6 103.7(2) 2_775 . ?
F8 Eu6 F7 68.6(2) 2_775 2_775 ?
F8 Eu6 O8 139.5(3) 2_775 1_655 ?
F8 Eu6 O15 143.5(3) 2_775 1_655 ?
F8 Eu6 O4 75.6(3) 2_775 2_775 ?
F8 Eu6 O26D 89.5(4) 2_775 . ?
F5 Eu6 Eu5 34.84(18) . . ?
F5 Eu6 Eu5 85.89(17) . 2_775 ?
F5 Eu6 Eu4 32.29(17) . 1_565 ?
F5 Eu6 Eu4 89.45(17) . 2_765 ?
F5 Eu6 F8 65.8(2) . 2_775 ?
F5 Eu6 F6 68.5(2) . . ?
F5 Eu6 F7 102.0(2) . 2_775 ?
F5 Eu6 O8 77.1(3) . 1_655 ?
F5 Eu6 O15 141.7(3) . 1_655 ?
F5 Eu6 O4 139.0(3) . 2_775 ?
F5 Eu6 O26D 92.9(4) . . ?
F6 Eu6 Eu5 34.27(16) . . ?
F6 Eu6 Eu5 85.76(16) . 2_775 ?
F6 Eu6 Eu4 87.85(17) . 1_565 ?
F6 Eu6 Eu4 32.75(15) . 2_765 ?
F6 Eu6 O8 75.5(3) . 1_655 ?
F6 Eu6 O4 136.8(3) . 2_775 ?
F7 Eu6 Eu5 86.62(18) 2_775 . ?
F7 Eu6 Eu5 33.54(18) 2_775 2_775 ?
F7 Eu6 Eu4 87.72(17) 2_775 1_565 ?
F7 Eu6 Eu4 33.82(18) 2_775 2_765 ?
F7 Eu6 F6 65.6(2) 2_775 . ?
F7 Eu6 O8 137.9(3) 2_775 1_655 ?
F7 Eu6 O4 74.7(3) 2_775 2_775 ?
O8 Eu6 Eu5 68.7(2) 1_655 . ?
O8 Eu6 Eu5 158.3(2) 1_655 2_775 ?
O8 Eu6 Eu4 107.0(2) 1_655 1_565 ?
O8 Eu6 Eu4 104.7(2) 1_655 2_765 ?
O8 Eu6 O4 132.7(3) 1_655 2_775 ?
O15 Eu6 Eu5 110.5(2) 1_655 2_775 ?
O15 Eu6 Eu5 108.5(2) 1_655 . ?
O15 Eu6 Eu4 164.1(2) 1_655 1_565 ?
O15 Eu6 Eu4 70.8(2) 1_655 2_765 ?
O15 Eu6 F6 78.1(3) 1_655 . ?
O15 Eu6 F7 79.8(3) 1_655 2_775 ?
O15 Eu6 O8 76.8(3) 1_655 1_655 ?
O15 Eu6 O4 78.9(3) 1_655 2_775 ?
O15 Eu6 O26D 107.6(5) 1_655 . ?
O4 Eu6 Eu5 158.6(3) 2_775 . ?
O4 Eu6 Eu5 69.0(3) 2_775 2_775 ?
O4 Eu6 Eu4 107.4(2) 2_775 1_565 ?
O4 Eu6 Eu4 104.7(3) 2_775 2_765 ?
O26D Eu6 Eu5 118.3(3) . 2_775 ?
O26D Eu6 Eu5 121.2(3) . . ?
O26D Eu6 Eu4 177.6(4) . 2_765 ?
O26D Eu6 Eu4 88.3(4) . 1_565 ?
O26D Eu6 F6 149.2(3) . . ?
O26D Eu6 F7 144.7(3) . 2_775 ?
O26D Eu6 O8 76.5(4) . 1_655 ?
O26D Eu6 O4 73.1(4) . 2_775 ?
Eu5 Eu4 Eu5 86.24(3) 1_545 2_765 ?
Eu6 Eu4 Eu5 58.24(2) 2_765 2_765 ?
Eu6 Eu4 Eu5 58.22(3) 2_765 1_545 ?
F8 Eu4 Eu5 34.06(17) 2_765 2_765 ?
F8 Eu4 Eu5 83.35(16) 2_765 1_545 ?
F8 Eu4 Eu6 85.36(16) 2_765 2_765 ?
F5 Eu4 Eu5 33.27(16) 1_545 1_545 ?
F5 Eu4 Eu5 81.86(15) 1_545 2_765 ?
F5 Eu4 Eu6 83.79(16) 1_545 2_765 ?
F5 Eu4 F8 62.0(2) 1_545 2_765 ?
F5 Eu4 O25D 72.9(3) 1_545 . ?
F5 Eu4 O24D 131.2(4) 1_545 . ?
F6 Eu4 Eu5 31.59(16) 2_765 2_765 ?
F6 Eu4 Eu5 82.97(18) 2_765 1_545 ?
F6 Eu4 Eu6 32.74(17) 2_765 2_765 ?
F6 Eu4 F8 65.1(2) 2_765 2_765 ?
F6 Eu4 F5 96.1(2) 2_765 1_545 ?
F6 Eu4 F7 64.8(2) 2_765 1_545 ?
F6 Eu4 O12 138.2(3) 2_765 . ?
F6 Eu4 O13 76.2(3) 2_765 2_765 ?
F6 Eu4 O25D 137.2(3) 2_765 . ?
F6 Eu4 O16 75.0(3) 2_765 2_665 ?
F6 Eu4 O24D 132.7(4) 2_765 . ?
F7 Eu4 Eu5 83.19(16) 1_545 2_765 ?
F7 Eu4 Eu5 31.43(17) 1_545 1_545 ?
F7 Eu4 Eu6 32.98(16) 1_545 2_765 ?
F7 Eu4 F8 97.9(2) 1_545 2_765 ?
F7 Eu4 F5 64.0(2) 1_545 1_545 ?
F7 Eu4 O13 140.1(3) 1_545 2_765 ?
F7 Eu4 O25D 134.2(3) 1_545 . ?
F7 Eu4 O16 75.3(3) 1_545 2_665 ?
F7 Eu4 O24D 130.8(5) 1_545 . ?
O12 Eu4 Eu5 150.97(19) . 2_765 ?
O12 Eu4 Eu5 65.0(2) . 1_545 ?
O12 Eu4 Eu6 105.5(2) . 2_765 ?
O12 Eu4 F8 131.2(3) . 2_765 ?
O12 Eu4 F5 72.0(2) . 1_545 ?
O12 Eu4 F7 74.3(3) . 1_545 ?
O12 Eu4 O13 141.6(3) . 2_765 ?
O12 Eu4 O25D 78.6(3) . . ?
O12 Eu4 O16 87.5(3) . 2_665 ?
O12 Eu4 O24D 70.7(4) . . ?
O13 Eu4 Eu5 66.4(2) 2_765 2_765 ?
O13 Eu4 Eu5 152.2(2) 2_765 1_545 ?
O13 Eu4 Eu6 107.2(2) 2_765 2_765 ?
O13 Eu4 F8 71.3(3) 2_765 2_765 ?
O13 Eu4 F5 131.0(3) 2_765 1_545 ?
O13 Eu4 O25D 80.8(3) 2_765 . ?
O13 Eu4 O24D 71.9(4) 2_765 . ?
O25D Eu4 Eu5 105.8(2) . 2_765 ?
O25D Eu4 Eu5 103.2(2) . 1_545 ?
O25D Eu4 Eu6 153.9(2) . 2_765 ?
O25D Eu4 F8 73.5(3) . 2_765 ?
O25D Eu4 O24D 69.8(5) . . ?
O16 Eu4 Eu5 104.8(2) 2_665 1_545 ?
O16 Eu4 Eu5 104.5(2) 2_665 2_765 ?
O16 Eu4 Eu6 66.4(2) 2_665 2_765 ?
O16 Eu4 F8 138.1(3) 2_665 2_765 ?
O16 Eu4 F5 137.9(3) 2_665 1_545 ?
O16 Eu4 O13 87.5(3) 2_665 2_765 ?
O16 Eu4 O25D 139.6(3) 2_665 . ?
O16 Eu4 O24D 69.7(5) 2_665 . ?
O24D Eu4 Eu5 135.6(4) . 1_545 ?
O24D Eu4 Eu5 138.1(4) . 2_765 ?
O24D Eu4 Eu6 136.2(4) . 2_765 ?
O24D Eu4 F8 131.1(5) . 2_765 ?
Eu2 Eu1 Eu2 86.53(3) 2_756 . ?
Eu3 Eu1 Eu2 58.46(3) 2_756 2_756 ?
Eu3 Eu1 Eu2 57.91(2) 2_756 . ?
F2 Eu1 Eu2 81.48(15) . . ?
F2 Eu1 Eu2 31.53(16) . 2_756 ?
F2 Eu1 Eu3 81.97(16) . 2_756 ?
F2 Eu1 F4 63.5(2) . . ?
F2 Eu1 O2 135.7(3) . 2_756 ?
F2 Eu1 O21D 131.4(4) . . ?
F2 Eu1 F1 63.5(2) . . ?
F4 Eu1 Eu2 84.17(15) . . ?
F4 Eu1 Eu2 32.63(16) . 2_756 ?
F4 Eu1 Eu3 33.26(15) . 2_756 ?
F4 Eu1 O21D 131.8(5) . . ?
F4 Eu1 F1 99.4(2) . . ?
F3 Eu1 Eu2 82.95(17) . 2_756 ?
F3 Eu1 Eu2 31.53(18) . . ?
F3 Eu1 Eu3 32.30(18) . 2_756 ?
F3 Eu1 F2 94.6(2) . . ?
F3 Eu1 F4 64.9(2) . . ?
F3 Eu1 O5 139.0(3) . 1_645 ?
F3 Eu1 O2 75.3(3) . 2_756 ?
F3 Eu1 O19F 134.8(5) . . ?
F3 Eu1 O17F 73.8(5) . . ?
F3 Eu1 O21D 133.9(4) . . ?
F3 Eu1 F1 64.1(2) . . ?
O5 Eu1 Eu2 65.2(2) 1_645 2_756 ?
O5 Eu1 Eu2 151.4(2) 1_645 . ?
O5 Eu1 Eu3 106.7(2) 1_645 2_756 ?
O5 Eu1 F2 72.0(3) 1_645 . ?
O5 Eu1 F4 74.6(3) 1_645 . ?
O5 Eu1 O2 87.6(3) 1_645 2_756 ?
O5 Eu1 O17F 141.2(5) 1_645 . ?
O5 Eu1 O21D 71.1(4) 1_645 . ?
O5 Eu1 F1 132.0(2) 1_645 . ?
O2 Eu1 Eu2 104.2(2) 2_756 2_756 ?
O2 Eu1 Eu2 104.7(2) 2_756 . ?
O2 Eu1 Eu3 66.5(2) 2_756 2_756 ?
O2 Eu1 F4 73.5(3) 2_756 . ?
O2 Eu1 O21D 72.3(5) 2_756 . ?
O2 Eu1 F1 137.3(3) 2_756 . ?
O19F Eu1 Eu2 103.7(5) . 2_756 ?
O19F Eu1 Eu2 103.4(4) . . ?
O19F Eu1 Eu3 152.4(4) . 2_756 ?
O19F Eu1 F2 74.7(5) . . ?
O19F Eu1 F4 136.0(5) . . ?
O19F Eu1 O5 80.1(5) . 1_645 ?
O19F Eu1 O2 141.1(5) . 2_756 ?
O19F Eu1 O17F 84.7(7) . . ?
O19F Eu1 O21D 68.8(6) . . ?
O19F Eu1 F1 72.0(4) . . ?
O17F Eu1 Eu2 153.5(4) . 2_756 ?
O17F Eu1 Eu2 67.1(4) . . ?
O17F Eu1 Eu3 103.2(4) . 2_756 ?
O17F Eu1 F2 137.1(5) . . ?
O17F Eu1 F4 135.9(5) . . ?
O17F Eu1 O2 82.2(6) . 2_756 ?
O17F Eu1 O21D 70.2(6) . . ?
O17F Eu1 F1 74.6(5) . . ?
O21D Eu1 Eu2 137.1(4) . . ?
O21D Eu1 Eu2 136.3(4) . 2_756 ?
O21D Eu1 Eu3 138.8(5) . 2_756 ?
O21D Eu1 F1 128.7(5) . . ?
F1 Eu1 Eu2 33.07(16) . . ?
F1 Eu1 Eu2 84.16(16) . 2_756 ?
F1 Eu1 Eu3 84.52(17) . 2_756 ?
Eu2 Eu3 Eu2 89.83(2) 2_756 . ?
Eu2 Eu3 Eu1 60.93(2) . 2_756 ?
Eu2 Eu3 Eu1 61.26(2) 2_756 2_756 ?
Eu2 Eu3 Eu1 60.83(3) 2_756 . ?
Eu2 Eu3 Eu1 60.636(19) . . ?
Eu1 Eu3 Eu1 93.30(3) 2_756 . ?
F2 Eu3 Eu2 84.53(16) . . ?
F2 Eu3 Eu2 33.78(16) . 2_756 ?
F2 Eu3 Eu1 32.11(16) . . ?
F2 Eu3 Eu1 87.48(16) . 2_756 ?
F2 Eu3 F4 102.0(2) . 2_756 ?
F2 Eu3 F3 67.8(2) . 2_756 ?
F2 Eu3 O20F 78.0(4) . . ?
F2 Eu3 F1 67.3(2) . . ?
F2 Eu3 O23D 143.3(3) . . ?
F4 Eu3 Eu2 88.76(18) 2_756 2_756 ?
F4 Eu3 Eu2 33.62(17) 2_756 . ?
F4 Eu3 Eu1 89.01(16) 2_756 . ?
F4 Eu3 Eu1 35.10(19) 2_756 2_756 ?
F4 Eu3 F3 65.9(3) 2_756 2_756 ?
F4 Eu3 O20F 143.1(5) 2_756 . ?
F4 Eu3 O23D 83.0(4) 2_756 . ?
F3 Eu3 Eu2 35.10(16) 2_756 2_756 ?
F3 Eu3 Eu2 84.60(17) 2_756 . ?
F3 Eu3 Eu1 31.50(17) 2_756 2_756 ?
F3 Eu3 Eu1 88.12(16) 2_756 . ?
F3 Eu3 O20F 140.8(4) 2_756 . ?
F3 Eu3 O23D 142.3(4) 2_756 . ?
O9 Eu3 Eu2 69.2(2) . 2_756 ?
O9 Eu3 Eu2 158.8(2) . . ?
O9 Eu3 Eu1 108.9(2) . . ?
O9 Eu3 Eu1 103.9(2) . 2_756 ?
O9 Eu3 F2 79.8(3) . . ?
O9 Eu3 F4 137.6(3) . 2_756 ?
O9 Eu3 F3 76.3(3) . 2_756 ?
O9 Eu3 O20F 79.3(5) . . ?
O9 Eu3 F1 143.8(3) . . ?
O9 Eu3 O23D 120.7(4) . . ?
O1 Eu3 Eu2 107.9(2) . . ?
O1 Eu3 Eu2 107.6(2) . 2_756 ?
O1 Eu3 Eu1 68.6(3) . 2_756 ?
O1 Eu3 Eu1 161.9(3) . . ?
O1 Eu3 F2 140.8(3) . . ?
O1 Eu3 F4 76.2(3) . 2_756 ?
O1 Eu3 F3 76.3(3) . 2_756 ?
O1 Eu3 O9 76.7(3) . . ?
O1 Eu3 O20F 126.7(5) . . ?
O1 Eu3 F1 139.1(3) . . ?
O1 Eu3 O23D 75.9(4) . . ?
O20F Eu3 Eu2 111.5(5) . . ?
O20F Eu3 Eu2 107.0(4) . 2_756 ?
O20F Eu3 Eu1 164.5(4) . 2_756 ?
O20F Eu3 Eu1 71.4(4) . . ?
F1 Eu3 Eu2 33.50(17) . . ?
F1 Eu3 Eu2 89.57(19) . 2_756 ?
F1 Eu3 Eu1 35.84(17) . . ?
F1 Eu3 Eu1 89.76(18) . 2_756 ?
F1 Eu3 F4 67.1(2) . 2_756 ?
F1 Eu3 F3 103.3(3) . 2_756 ?
F1 Eu3 O20F 79.5(5) . . ?
F1 Eu3 O23D 82.1(4) . . ?
O23D Eu3 Eu2 80.2(3) . . ?
O23D Eu3 Eu2 170.1(3) . 2_756 ?
O23D Eu3 Eu1 113.0(3) . 2_756 ?
O23D Eu3 Eu1 113.2(3) . . ?
O23D Eu3 O20F 76.9(5) . . ?
Eu5 F8 Eu4 110.4(3) . 2_765 ?
Eu6 F8 Eu5 110.5(3) 2_775 . ?
Eu6 F8 Eu4 114.8(3) 2_775 2_765 ?
Eu2 F2 Eu1 115.8(3) 2_756 . ?
Eu2 F2 Eu3 112.3(3) 2_756 . ?
Eu3 F2 Eu1 116.7(3) . . ?
Eu5 F5 Eu4 112.7(3) . 1_565 ?
Eu6 F5 Eu5 111.2(3) . . ?
Eu6 F5 Eu4 116.9(3) . 1_565 ?
Eu2 F4 Eu1 112.7(3) 2_756 . ?
Eu2 F4 Eu3 112.5(3) 2_756 2_756 ?
Eu3 F4 Eu1 111.6(3) 2_756 . ?
Eu5 F6 Eu6 111.2(3) . . ?
Eu5 F6 Eu4 116.5(3) . 2_765 ?
Eu6 F6 Eu4 114.5(3) . 2_765 ?
Eu5 F7 Eu6 112.3(3) . 2_775 ?
Eu5 F7 Eu4 115.8(3) . 1_565 ?
Eu6 F7 Eu4 113.2(3) 2_775 1_565 ?
Eu2 F3 Eu3 109.6(3) . 2_756 ?
Eu1 F3 Eu2 117.5(3) . . ?
Eu1 F3 Eu3 116.2(3) . 2_756 ?
C54 O12 Eu4 140.3(8) . . ?
C33 O7 Eu5 132.6(8) . 1_455 ?
C54 O11 Eu5 133.2(8) . 1_545 ?
C47 O9 Eu3 138.1(9) . . ?
C32 O6 Eu2 132.3(8) . 2_666 ?
C32 O5 Eu1 140.7(8) . 1_465 ?
C33 O8 Eu6 139.7(9) . 1_455 ?
C1 O2 Eu1 139.5(9) . 2_756 ?
C47 O10 Eu2 134.7(8) . 2_756 ?
C92 O15 Eu6 138.0(9) . 1_455 ?
C79 O14 Eu5 126.4(9) . . ?
C46 O3 Eu5 132.9(10) . . ?
C1 O1 Eu3 143.1(10) . . ?
C79 O13 Eu4 129.1(8) . 2_765 ?
C92 O16 Eu4 141.2(9) . 2_665 ?
C100 O19F Eu1 144.6(17) . . ?
C93F O18F Eu2 135(2) . . ?
C93F O17F Eu1 137.7(15) . . ?
O15 C92 O16 123.5(13) . . ?
O15 C92 C89 117.0(13) . . ?
O16 C92 C89 119.4(12) . . ?
C46 O4 Eu6 137.2(10) . 2_775 ?
O12 C54 O11 122.3(11) . . ?
O12 C54 C50 119.7(11) . . ?
O11 C54 C50 117.9(10) . . ?
O7 C33 C28 112.5(11) . . ?
O8 C33 O7 126.9(13) . . ?
O8 C33 C28 120.4(12) . . ?
C107 O21D Eu1 127.6(18) . . ?
C113 O24D Eu4 126.6(15) . . ?
O6 C32 C30 117.2(11) . . ?
O5 C32 O6 121.5(12) . . ?
O5 C32 C30 121.3(12) . . ?
C51 C50 C54 117.9(7) . . ?
C51 C50 C49 120.0 . . ?
C49 C50 C54 122.1(7) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C53 120.0 . . ?
C51 C52 C55 120.5(5) . . ?
C53 C52 C55 119.3(5) . . ?
C52 C53 H53 120.0 . . ?
C52 C53 C48 120.0 . . ?
C48 C53 H53 120.0 . . ?
C53 C48 C47 119.0(7) . . ?
C49 C48 C53 120.0 . . ?
C49 C48 C47 121.0(7) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
O9 C47 O10 125.8(12) . . ?
O9 C47 C48 119.7(11) . . ?
O10 C47 C48 114.4(11) . . ?
C30 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C32 121.2(7) . . ?
C31 C30 C32 118.7(7) . . ?
C31 C30 C29 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C26 120.0 . . ?
C26 C31 H31 120.0 . . ?
C31 C26 C23 119.9(6) . . ?
C27 C26 C31 120.0 . . ?
C27 C26 C23 119.8(6) . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C33 121.9(7) . . ?
C27 C28 C33 118.1(7) . . ?
C27 C28 C29 120.0 . . ?
C100 O20F Eu3 125.9(11) . . ?
C116 O26D Eu6 123.4(11) . . ?
O14 C79 Eu5 35.8(6) . . ?
O14 C79 O13 122.6(10) . . ?
O14 C79 C76 120.6(12) . . ?
O13 C79 Eu5 102.1(7) . . ?
O13 C79 C76 115.7(11) . . ?
C76 C79 Eu5 137.4(8) . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C61 C58 118.5(6) . . ?
C66 C61 C62 120.0 . . ?
C66 C61 C58 121.4(6) . . ?
C61 C66 H66 120.0 . . ?
C61 C66 C65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C66 C65 C67 119.8(7) . . ?
C64 C65 C66 120.0 . . ?
C64 C65 C67 120.0(7) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C63 C64 H64 120.0 . . ?
C62 C63 C80 120.0(7) . . ?
C64 C63 C62 120.0 . . ?
C64 C63 C80 120.0(7) . . ?
O3 C46 C43 114.3(14) . . ?
O4 C46 O3 126.1(14) . . ?
O4 C46 C43 119.7(13) . . ?
C43 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C46 120.0(9) . . ?
C44 C43 C46 119.7(9) . . ?
C44 C43 C42 120.0 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C40 C45 C44 120.0 . . ?
C40 C45 H45 120.0 . . ?
C45 C40 C37 120.3(7) . . ?
C41 C40 C45 120.0 . . ?
C41 C40 C37 119.5(7) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C20 120.0 . . ?
C20 C25 H25 120.0 . . ?
C25 C20 C21 120.0 . . ?
C25 C20 C18 120.1(6) . . ?
C21 C20 C18 119.9(6) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C26 120.6(6) . . ?
C22 C23 C26 119.4(6) . . ?
C22 C23 C24 120.0 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C60 C59 H59 120.0 . . ?
C59 C58 C61 119.0(6) . . ?
C59 C58 C57 120.0 . . ?
C57 C58 C61 121.0(6) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C55 C52 119.4(6) . . ?
C60 C55 C52 120.5(6) . . ?
C60 C55 C56 120.0 . . ?
C59 C60 H60 120.0 . . ?
C55 C60 C59 120.0 . . ?
C55 C60 H60 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 C14 120.8(7) . . ?
C10 C11 C14 119.2(7) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C8 C13 H13 120.0 . . ?
C13 C8 C5 120.1(7) . . ?
C9 C8 C13 120.0 . . ?
C9 C8 C5 119.9(7) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C75 C76 C79 117.0(8) . . ?
C75 C76 C77 120.0 . . ?
C77 C76 C79 122.6(8) . . ?
C76 C75 H75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 C75 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C73 C78 120.0 . . ?
C74 C73 C70 118.6(8) . . ?
C78 C73 C70 121.3(8) . . ?
C73 C78 H78 120.0 . . ?
C77 C78 C73 120.0 . . ?
C77 C78 H78 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 H77 120.0 . . ?
O2 C1 C2 116.0(13) . . ?
O1 C1 O2 122.3(14) . . ?
O1 C1 C2 121.7(14) . . ?
C19 C18 C20 120.0(6) . . ?
C19 C18 C17 120.0 . . ?
C17 C18 C20 120.0(6) . . ?
C18 C19 H19 120.0 . . ?
C14 C19 C18 120.0 . . ?
C14 C19 H19 120.0 . . ?
C19 C14 C11 122.1(7) . . ?
C19 C14 C15 120.0 . . ?
C15 C14 C11 117.9(7) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 C34 120.8(7) . . ?
C17 C16 C34 119.2(7) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C82 C83 C84 120.0 . . ?
C82 C83 C86 118.9(7) . . ?
C84 C83 C86 121.0(7) . . ?
C83 C82 H82 120.0 . . ?
C81 C82 C83 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C81 H81 120.0 . . ?
C80 C81 C82 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C80 C63 121.2(7) . . ?
C81 C80 C85 120.0 . . ?
C85 C80 C63 118.8(7) . . ?
C80 C85 H85 120.0 . . ?
C84 C85 C80 120.0 . . ?
C84 C85 H85 120.0 . . ?
C83 C84 H84 120.0 . . ?
C85 C84 C83 120.0 . . ?
C85 C84 H84 120.0 . . ?
C91 C86 C83 117.7(7) . . ?
C91 C86 C87 120.0 . . ?
C87 C86 C83 122.3(7) . . ?
C86 C91 H91 120.0 . . ?
C86 C91 C90 120.0 . . ?
C90 C91 H91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C89 C90 C91 120.0 . . ?
C89 C90 H90 120.0 . . ?
C90 C89 C92 117.8(9) . . ?
C88 C89 C92 121.8(9) . . ?
C88 C89 C90 120.0 . . ?
C89 C88 H88 120.0 . . ?
C89 C88 C87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C86 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C88 C87 H87 120.0 . . ?
C34 C39 H39 120.0 . . ?
C34 C39 C38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C34 C16 120.5(7) . . ?
C35 C34 C16 119.5(7) . . ?
C35 C34 C39 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C40 119.6(7) . . ?
C36 C37 C38 120.0 . . ?
C38 C37 C40 120.3(7) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 C39 120.0 . . ?
C37 C38 H38 120.0 . . ?
C67 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C67 C65 118.7(8) . . ?
C72 C67 C65 121.3(8) . . ?
C72 C67 C68 120.0 . . ?
C67 C72 H72 120.0 . . ?
C67 C72 C71 120.0 . . ?
C71 C72 H72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 C73 119.8(8) . . ?
C69 C70 C73 120.2(8) . . ?
C69 C70 C71 120.0 . . ?
C68 C69 H69 120.0 . . ?
C70 C69 C68 120.0 . . ?
C70 C69 H69 120.0 . . ?
O18F C93F O17F 124(2) . . ?
O18F C93F C94F 114(2) . . ?
O17F C93F C94F 122(3) . . ?
C116 N4D C118 116(2) . . ?
C116 N4D C117 118.1(19) . . ?
C117 N4D C118 125.7(19) . . ?
C2 C7 H7 120.0 . . ?
C2 C7 C6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C2 C1 122.2(9) . . ?
C3 C2 C1 117.8(9) . . ?
C3 C2 C7 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C8 119.1(7) . . ?
C6 C5 C8 120.9(7) . . ?
C6 C5 C4 120.0 . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
O19F C100 O20F 131.8(18) . . ?
O19F C100 C101 115(2) . . ?
O20F C100 C101 112(2) . . ?
O26D C116 H116 117.2 . . ?
N4D C116 O26D 126(2) . . ?
N4D C116 H116 117.2 . . ?
O21D C107 H107 115.5 . . ?
O21D C107 N1D 129(2) . . ?
N1D C107 H107 115.5 . . ?
C113 N3D C115 116.9(18) . . ?
C113 N3D C114 122.7(18) . . ?
C114 N3D C115 114.7(18) . . ?
O24D C113 N3D 124(2) . . ?
O24D C113 H113 117.8 . . ?
N3D C113 H113 117.8 . . ?
C107 N1D C108 117.2(17) . . ?
C107 N1D C109 126.6(18) . . ?
C108 N1D C109 114.3(16) . . ?
C102 C101 C100 116.7(15) . . ?
C102 C101 C106 120.0 . . ?
C106 C101 C100 123.0(15) . . ?
C101 C102 H102 120.0 . . ?
C101 C102 C103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 C102 120.0 . . ?
C104 C103 H103 120.0 . . ?
C103 C104 H104 120.0 . . ?
C103 C104 C105 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C105 C106 C101 120.0 . . ?
F10F C106 C101 122.7(11) . . ?
F10F C106 C105 117.2(11) . . ?
N4D C118 H11A 109.5 . . ?
N4D C118 H11B 109.5 . . ?
N4D C118 H11C 109.5 . . ?
H11A C118 H11B 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
N4D C117 H11D 109.5 . . ?
N4D C117 H11E 109.5 . . ?
N4D C117 H11F 109.5 . . ?
H11D C117 H11E 109.5 . . ?
H11D C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
N1D C108 H10A 109.5 . . ?
N1D C108 H10B 109.5 . . ?
N1D C108 H10C 109.5 . . ?
H10A C108 H10B 109.5 . . ?
H10A C108 H10C 109.5 . . ?
H10B C108 H10C 109.5 . . ?
Eu2 F1 Eu1 110.7(3) . . ?
Eu2 F1 Eu3 112.8(3) . . ?
Eu3 F1 Eu1 111.3(3) . . ?
C110 O22D Eu2 129.4(17) . . ?
C111 N2D C112 122(2) . . ?
C110 N2D C111 121(2) . . ?
C110 N2D C112 116.8(19) . . ?
N2D C111 H11G 109.5 . . ?
N2D C111 H11H 109.5 . . ?
N2D C111 H11I 109.5 . . ?
H11G C111 H11H 109.5 . . ?
H11G C111 H11I 109.5 . . ?
H11H C111 H11I 109.5 . . ?
C96F C95F H95F 120.0 . . ?
C96F C95F C94F 120.0 . . ?
C94F C95F H95F 120.0 . . ?
C95F C96F H96F 120.0 . . ?
C97F C96F C95F 120.0 . . ?
C97F C96F H96F 120.0 . . ?
C96F C97F H97F 120.0 . . ?
C98F C97F C96F 120.0 . . ?
C98F C97F H97F 120.0 . . ?
C97F C98F H98F 120.0 . . ?
C99F C98F C97F 120.0 . . ?
C99F C98F H98F 120.0 . . ?
C98F C99F F9F 118.8(14) . . ?
C94F C99F F9F 121.1(14) . . ?
C94F C99F C98F 120.0 . . ?
C95F C94F C93F 120.3(17) . . ?
C99F C94F C93F 119.6(17) . . ?
C99F C94F C95F 120.0 . . ?
N1D C109 H10D 109.5 . . ?
N1D C109 H10E 109.5 . . ?
N1D C109 H10F 109.5 . . ?
H10D C109 H10E 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
N2D C112 H11J 109.5 . . ?
N2D C112 H11K 109.5 . . ?
N2D C112 H11L 109.5 . . ?
H11J C112 H11K 109.5 . . ?
H11J C112 H11L 109.5 . . ?
H11K C112 H11L 109.5 . . ?
N3D C115 H11M 109.5 . . ?
N3D C115 H11N 109.5 . . ?
N3D C115 H11O 109.5 . . ?
H11M C115 H11N 109.5 . . ?
H11M C115 H11O 109.5 . . ?
H11N C115 H11O 109.5 . . ?
N3D C114 H11P 109.5 . . ?
N3D C114 H11Q 109.5 . . ?
N3D C114 H11R 109.5 . . ?
H11P C114 H11Q 109.5 . . ?
H11P C114 H11R 109.5 . . ?
H11Q C114 H11R 109.5 . . ?
O22D C110 N2D 120(2) . . ?
O22D C110 H110 120.0 . . ?
N2D C110 H110 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu5 O7 C33 O8 7(2) 1_455 . . . ?
Eu5 O7 C33 C28 -167.3(7) 1_455 . . . ?
Eu5 O11 C54 O12 33.6(18) 1_545 . . . ?
Eu5 O11 C54 C50 -142.5(8) 1_545 . . . ?
Eu5 O14 C79 O13 62.6(19) . . . . ?
Eu5 O14 C79 C76 -130.0(11) . . . . ?
Eu5 O3 C46 O4 -21(2) . . . . ?
Eu5 O3 C46 C43 159.4(9) . . . . ?
Eu5 C79 C76 C75 -26.5(17) . . . . ?
Eu5 C79 C76 C77 146.7(9) . . . . ?
Eu2 O6 C32 O5 37.0(17) 2_666 . . . ?
Eu2 O6 C32 C30 -141.2(8) 2_666 . . . ?
Eu2 O10 C47 O9 23(2) 2_756 . . . ?
Eu2 O10 C47 C48 -162.1(7) 2_756 . . . ?
Eu2 O18F C93F O17F 33(5) . . . . ?
Eu2 O18F C93F C94F -135(2) . . . . ?
Eu2 O22D C110 N2D -176.0(18) . . . . ?
Eu6 O8 C33 O7 -13(2) 1_455 . . . ?
Eu6 O8 C33 C28 160.5(8) 1_455 . . . ?
Eu6 O15 C92 O16 -5(2) 1_455 . . . ?
Eu6 O15 C92 C89 -179.5(8) 1_455 . . . ?
Eu6 O4 C46 O3 17(2) 2_775 . . . ?
Eu6 O4 C46 C43 -163.5(9) 2_775 . . . ?
Eu6 O26D C116 N4D -162.1(16) . . . . ?
Eu4 O12 C54 O11 -41(2) . . . . ?
Eu4 O12 C54 C50 135.1(10) . . . . ?
Eu4 O13 C79 Eu5 -33.5(12) 2_765 . . . ?
Eu4 O13 C79 O14 -66(2) 2_765 . . . ?
Eu4 O13 C79 C76 126.4(10) 2_765 . . . ?
Eu4 O16 C92 O15 2(2) 2_665 . . . ?
Eu4 O16 C92 C89 176.5(9) 2_665 . . . ?
Eu4 O24D C113 N3D 160.5(19) . . . . ?
Eu1 O5 C32 O6 -44(2) 1_465 . . . ?
Eu1 O5 C32 C30 134.6(11) 1_465 . . . ?
Eu1 O2 C1 O1 -2(2) 2_756 . . . ?
Eu1 O2 C1 C2 178.2(8) 2_756 . . . ?
Eu1 O19F C100 O20F 9(7) . . . . ?
Eu1 O19F C100 C101 -162(2) . . . . ?
Eu1 O17F C93F O18F -31(6) . . . . ?
Eu1 O17F C93F C94F 137(2) . . . . ?
Eu1 O21D C107 N1D 171(3) . . . . ?
Eu3 O9 C47 O10 -22(2) . . . . ?
Eu3 O9 C47 C48 162.7(7) . . . . ?
Eu3 O1 C1 O2 -1(3) . . . . ?
Eu3 O1 C1 C2 179.3(9) . . . . ?
Eu3 O20F C100 O19F 1(5) . . . . ?
Eu3 O20F C100 C101 171.7(14) . . . . ?
O12 C54 C50 C51 14.3(15) . . . . ?
O12 C54 C50 C49 -163.9(9) . . . . ?
O7 C33 C28 C29 -28.8(14) . . . . ?
O7 C33 C28 C27 151.4(8) . . . . ?
O11 C54 C50 C51 -169.6(8) . . . . ?
O11 C54 C50 C49 12.3(15) . . . . ?
O6 C32 C30 C29 13.3(13) . . . . ?
O6 C32 C30 C31 -170.8(8) . . . . ?
O5 C32 C30 C29 -164.9(9) . . . . ?
O5 C32 C30 C31 11.0(14) . . . . ?
O8 C33 C28 C29 157.0(10) . . . . ?
O8 C33 C28 C27 -22.9(16) . . . . ?
O2 C1 C2 C7 2.4(17) . . . . ?
O2 C1 C2 C3 -177.6(10) . . . . ?
O15 C92 C89 C90 13.3(16) . . . . ?
O15 C92 C89 C88 -159.6(10) . . . . ?
O14 C79 C76 C75 15.0(18) . . . . ?
O14 C79 C76 C77 -171.8(11) . . . . ?
O3 C46 C43 C42 5.5(15) . . . . ?
O3 C46 C43 C44 -168.4(9) . . . . ?
O1 C1 C2 C7 -177.7(11) . . . . ?
O1 C1 C2 C3 2.2(18) . . . . ?
O13 C79 C76 C75 -176.8(10) . . . . ?
O13 C79 C76 C77 -3.5(18) . . . . ?
O16 C92 C89 C90 -161.6(10) . . . . ?
O16 C92 C89 C88 25.5(17) . . . . ?
O19F C100 C101 C102 17(4) . . . . ?
O19F C100 C101 C106 -156(2) . . . . ?
O18F C93F C94F C95F 29(4) . . . . ?
O18F C93F C94F C99F -148(2) . . . . ?
O17F C93F C94F C95F -140(2) . . . . ?
O17F C93F C94F C99F 43(4) . . . . ?
C92 C89 C88 C87 172.7(13) . . . . ?
O4 C46 C43 C42 -173.9(11) . . . . ?
O4 C46 C43 C44 12.3(18) . . . . ?
C54 C50 C51 C52 -178.2(9) . . . . ?
C54 C50 C49 C48 178.1(9) . . . . ?
O21D C107 N1D C108 -2(6) . . . . ?
O21D C107 N1D C109 162(3) . . . . ?
C32 C30 C31 C26 -176.0(9) . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C50 C51 C52 C55 -174.8(8) . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C51 C52 C53 C48 0.0 . . . . ?
C51 C52 C55 C56 28.4(9) . . . . ?
C51 C52 C55 C60 -147.8(5) . . . . ?
C52 C53 C48 C49 0.0 . . . . ?
C52 C53 C48 C47 -178.8(9) . . . . ?
C52 C55 C60 C59 176.2(8) . . . . ?
C53 C52 C55 C56 -146.5(5) . . . . ?
C53 C52 C55 C60 37.3(9) . . . . ?
C53 C48 C49 C50 0.0 . . . . ?
C53 C48 C47 O9 -29.7(16) . . . . ?
C53 C48 C47 O10 154.7(9) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C49 C48 C47 O9 151.5(10) . . . . ?
C49 C48 C47 O10 -24.1(15) . . . . ?
C47 C48 C49 C50 178.8(9) . . . . ?
C29 C30 C31 C26 0.0 . . . . ?
C30 C29 C28 C33 -179.8(10) . . . . ?
C30 C29 C28 C27 0.0 . . . . ?
C30 C31 C26 C27 0.0 . . . . ?
C30 C31 C26 C23 -174.5(8) . . . . ?
C31 C26 C27 C28 0.0 . . . . ?
C31 C26 C23 C24 26.7(9) . . . . ?
C31 C26 C23 C22 -152.2(5) . . . . ?
C26 C27 C28 C33 179.8(9) . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C26 C23 C24 -147.8(5) . . . . ?
C27 C26 C23 C22 33.3(9) . . . . ?
C28 C29 C30 C32 175.9(9) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
O20F C100 C101 C102 -155.2(19) . . . . ?
O20F C100 C101 C106 31(3) . . . . ?
C79 C76 C75 C74 173.4(11) . . . . ?
C79 C76 C77 C78 -173.1(12) . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
C62 C61 C58 C59 -146.8(6) . . . . ?
C62 C61 C58 C57 33.0(10) . . . . ?
C62 C63 C80 C81 -35.3(12) . . . . ?
C62 C63 C80 C85 145.9(7) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C61 C62 C63 C80 -179.4(11) . . . . ?
C61 C66 C65 C64 0.0 . . . . ?
C61 C66 C65 C67 -175.0(11) . . . . ?
C61 C58 C57 C56 -179.8(9) . . . . ?
C66 C61 C58 C59 36.4(10) . . . . ?
C66 C61 C58 C57 -143.8(7) . . . . ?
C66 C65 C64 C63 0.0 . . . . ?
C66 C65 C67 C68 -159.2(7) . . . . ?
C66 C65 C67 C72 21.7(13) . . . . ?
C65 C64 C63 C62 0.0 . . . . ?
C65 C64 C63 C80 179.4(11) . . . . ?
C65 C67 C72 C71 179.2(13) . . . . ?
C64 C65 C67 C68 25.9(13) . . . . ?
C64 C65 C67 C72 -153.3(8) . . . . ?
C64 C63 C80 C81 145.3(8) . . . . ?
C64 C63 C80 C85 -33.4(12) . . . . ?
C63 C62 C61 C66 0.0 . . . . ?
C63 C62 C61 C58 -176.8(10) . . . . ?
C63 C80 C85 C84 178.8(11) . . . . ?
C46 C43 C44 C45 173.9(11) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C42 C41 C40 0.0 . . . . ?
C43 C44 C45 C40 0.0 . . . . ?
C44 C45 C40 C41 0.0 . . . . ?
C44 C45 C40 C37 -175.3(10) . . . . ?
C45 C40 C41 C42 0.0 . . . . ?
C45 C40 C37 C36 142.4(7) . . . . ?
C45 C40 C37 C38 -35.1(11) . . . . ?
C40 C37 C38 C39 177.4(10) . . . . ?
C41 C42 C43 C46 -173.9(11) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C41 C40 C37 C36 -33.0(10) . . . . ?
C41 C40 C37 C38 149.6(7) . . . . ?
C24 C25 C20 C21 0.0 . . . . ?
C24 C25 C20 C18 -179.8(9) . . . . ?
C25 C24 C23 C26 -178.9(9) . . . . ?
C25 C24 C23 C22 0.0 . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C25 C20 C18 C19 27.9(11) . . . . ?
C25 C20 C18 C17 -154.3(6) . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C20 C18 C19 C14 177.8(10) . . . . ?
C20 C18 C17 C16 -177.8(10) . . . . ?
C21 C20 C18 C19 -151.9(6) . . . . ?
C21 C20 C18 C17 25.9(11) . . . . ?
C21 C22 C23 C26 178.9(9) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C23 C26 C27 C28 174.5(8) . . . . ?
C23 C24 C25 C20 0.0 . . . . ?
C59 C58 C57 C56 0.0 . . . . ?
C58 C61 C66 C65 176.7(10) . . . . ?
C58 C59 C60 C55 0.0 . . . . ?
C58 C57 C56 C55 0.0 . . . . ?
C57 C56 C55 C52 -176.2(8) . . . . ?
C57 C56 C55 C60 0.0 . . . . ?
C56 C55 C60 C59 0.0 . . . . ?
C55 C52 C53 C48 174.9(8) . . . . ?
C60 C59 C58 C61 179.8(9) . . . . ?
C60 C59 C58 C57 0.0 . . . . ?
C11 C12 C13 C8 0.0 . . . . ?
C11 C14 C15 C16 178.8(11) . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C12 C11 C14 C19 -36.6(13) . . . . ?
C12 C11 C14 C15 144.6(8) . . . . ?
C12 C13 C8 C9 0.0 . . . . ?
C12 C13 C8 C5 177.7(12) . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C13 C8 C5 C4 -158.4(7) . . . . ?
C13 C8 C5 C6 23.1(13) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C8 C5 C6 C7 178.5(12) . . . . ?
C9 C8 C5 C4 19.3(13) . . . . ?
C9 C8 C5 C6 -159.2(8) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C10 C11 C14 C19 143.9(8) . . . . ?
C10 C11 C14 C15 -34.9(12) . . . . ?
C76 C75 C74 C73 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C75 C74 C73 C78 0.0 . . . . ?
C75 C74 C73 C70 -176.9(11) . . . . ?
C74 C73 C78 C77 0.0 . . . . ?
C74 C73 C70 C71 -156.3(8) . . . . ?
C74 C73 C70 C69 24.4(13) . . . . ?
C73 C78 C77 C76 0.0 . . . . ?
C73 C70 C69 C68 179.3(13) . . . . ?
C78 C73 C70 C71 26.8(13) . . . . ?
C78 C73 C70 C69 -152.5(8) . . . . ?
C77 C76 C75 C74 0.0 . . . . ?
C1 C2 C3 C4 -179.9(12) . . . . ?
C18 C20 C21 C22 179.8(9) . . . . ?
C18 C19 C14 C11 -178.7(11) . . . . ?
C18 C19 C14 C15 0.0 . . . . ?
C19 C18 C17 C16 0.0 . . . . ?
C19 C14 C15 C16 0.0 . . . . ?
C14 C11 C12 C13 -179.5(12) . . . . ?
C14 C11 C10 C9 179.5(12) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C14 C15 C16 C34 -178.1(11) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C15 C16 C34 C39 138.1(7) . . . . ?
C15 C16 C34 C35 -43.1(11) . . . . ?
C16 C34 C35 C36 -178.8(11) . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C17 C16 C34 C39 -40.1(11) . . . . ?
C17 C16 C34 C35 138.8(7) . . . . ?
C83 C82 C81 C80 0.0 . . . . ?
C83 C86 C91 C90 179.7(12) . . . . ?
C83 C86 C87 C88 -179.7(13) . . . . ?
C82 C83 C84 C85 0.0 . . . . ?
C82 C83 C86 C91 174.5(8) . . . . ?
C82 C83 C86 C87 -5.8(14) . . . . ?
C82 C81 C80 C63 -178.7(12) . . . . ?
C82 C81 C80 C85 0.0 . . . . ?
C81 C80 C85 C84 0.0 . . . . ?
C80 C85 C84 C83 0.0 . . . . ?
C84 C83 C82 C81 0.0 . . . . ?
C84 C83 C86 C91 -9.2(13) . . . . ?
C84 C83 C86 C87 170.5(8) . . . . ?
C86 C83 C82 C81 176.3(12) . . . . ?
C86 C83 C84 C85 -176.2(12) . . . . ?
C86 C91 C90 C89 0.0 . . . . ?
C91 C86 C87 C88 0.0 . . . . ?
C91 C90 C89 C92 -173.0(13) . . . . ?
C91 C90 C89 C88 0.0 . . . . ?
C90 C89 C88 C87 0.0 . . . . ?
C89 C88 C87 C86 0.0 . . . . ?
C87 C86 C91 C90 0.0 . . . . ?
C39 C34 C35 C36 0.0 . . . . ?
C34 C16 C17 C18 178.1(11) . . . . ?
C34 C39 C38 C37 0.0 . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C40 -177.4(10) . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C37 C40 C41 C42 175.4(10) . . . . ?
C38 C39 C34 C16 178.8(11) . . . . ?
C38 C39 C34 C35 0.0 . . . . ?
C68 C67 C72 C71 0.0 . . . . ?
C67 C65 C64 C63 174.9(11) . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C67 C72 C71 C70 0.0 . . . . ?
C72 C71 C70 C73 -179.3(13) . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C71 C70 C69 C68 0.0 . . . . ?
C70 C73 C78 C77 176.8(11) . . . . ?
C69 C68 C67 C65 -179.2(13) . . . . ?
C69 C68 C67 C72 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C2 C7 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C8 -178.5(12) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C5 C8 C9 C10 -177.7(12) . . . . ?
C6 C7 C2 C1 179.9(13) . . . . ?
C6 C7 C2 C3 0.0 . . . . ?
C100 C101 C102 C103 -174(2) . . . . ?
C100 C101 C106 C105 173(2) . . . . ?
C100 C101 C106 F10F -3(2) . . . . ?
C101 C102 C103 C104 0.0 . . . . ?
C102 C101 C106 C105 0.0 . . . . ?
C102 C101 C106 F10F -177(2) . . . . ?
C102 C103 C104 C105 0.0 . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C104 C105 C106 C101 0.0 . . . . ?
C104 C105 C106 F10F 177.0(19) . . . . ?
C106 C101 C102 C103 0.0 . . . . ?
C118 N4D C116 O26D 177(2) . . . . ?
C117 N4D C116 O26D 0(3) . . . . ?
F9F C99F C94F C93F -7(3) . . . . ?
F9F C99F C94F C95F 176(2) . . . . ?
C111 N2D C110 O22D -12(4) . . . . ?
C95F C96F C97F C98F 0.0 . . . . ?
C96F C95F C94F C93F -177(2) . . . . ?
C96F C95F C94F C99F 0.0 . . . . ?
C96F C97F C98F C99F 0.0 . . . . ?
C97F C98F C99F F9F -176(2) . . . . ?
C97F C98F C99F C94F 0.0 . . . . ?
C98F C99F C94F C93F 177(2) . . . . ?
C98F C99F C94F C95F 0.0 . . . . ?
C94F C95F C96F C97F 0.0 . . . . ?
C112 N2D C110 O22D 171(2) . . . . ?
C115 N3D C113 O24D -179(3) . . . . ?
C114 N3D C113 O24D -27(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.295 0.680 -0.670 9624.0 1871.1 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_THETM01_mo_el3_407d_0m_a    
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The structure contains heavily disordered solvent molecules and 
cations. These resulted in weakly diffracting crystals in higher angles. 
Although a high-brilliance IuS microfocus with Mo radiation was used, 
reasonable diffraction data could be obtained only to moderate resolution, 
despite multiple efforts to improve crystal quality.
;
# end Validation Reply Form
