# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_emc018
_database_code_depnum_ccdc_archive 'CCDC 1026162'
_audit_update_record             
;
2014-09-25 deposited with the CCDC.
2015-08-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C94.50 H81.75 Eu F9 N23.25 O27 S3'
_chemical_formula_weight         2394.22

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   15.6080(9)
_cell_length_b                   15.7058(9)
_cell_length_c                   22.7440(13)
_cell_angle_alpha                88.9700(10)
_cell_angle_beta                 80.5030(10)
_cell_angle_gamma                77.2110(10)
_cell_volume                     5361.5(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9962
_cell_measurement_theta_min      2.321
_cell_measurement_theta_max      25.487

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_F_000             2439
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.743
_shelx_estimated_absorpt_T_min   0.910
_shelx_estimated_absorpt_T_max   0.929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6989
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS-2012/1 (Bruker, 2012)'

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            118699
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.330
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             21057
_reflns_number_gt                17108
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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


_computing_data_collection       'Bruker APEX2, (Bruker 2012)'
_computing_cell_refinement       'Bruker SAINT, (Bruker 2012)'
_computing_data_reduction        'Bruker SAINT, (Bruker 2012)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL v. 2008/4, (Bruker 2008)'
_computing_publication_material  'Bruker APEX2, (Bruker 2012)'


_refine_special_details          ?

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0936P)²+20.9266P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21057
_refine_ls_number_parameters     1517
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0626
_refine_ls_wR_factor_ref         0.1816
_refine_ls_wR_factor_gt          0.1660
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1304(6) 0.2536(4) -0.0004(4) 0.062(2) Uani 1 1 d . . . . .
H1A H 0.1641 0.1956 -0.0152 0.093 Uiso 1 1 calc R U . . .
H1B H 0.1212 0.2922 -0.0342 0.093 Uiso 1 1 calc R U . . .
H1C H 0.0725 0.2489 0.0221 0.093 Uiso 1 1 calc R U . . .
C2 C 0.1949(4) 0.2438(4) 0.0865(3) 0.0406(14) Uani 1 1 d . . . . .
C3 C 0.2487(4) 0.2825(3) 0.1231(3) 0.0366(13) Uani 1 1 d . . . . .
C4 C 0.2793(4) 0.3575(3) 0.1064(3) 0.0350(12) Uani 1 1 d . . . . .
H4 H 0.2628 0.3885 0.0723 0.042 Uiso 1 1 calc R U . . .
C5 C 0.3342(4) 0.3871(3) 0.1398(3) 0.0337(12) Uani 1 1 d . . . . .
H5 H 0.3562 0.4376 0.1280 0.040 Uiso 1 1 calc R U . . .
C6 C 0.3572(4) 0.3427(3) 0.1905(2) 0.0293(11) Uani 1 1 d . . . . .
C7 C 0.3252(4) 0.2686(4) 0.2072(3) 0.0396(13) Uani 1 1 d . . . . .
H7 H 0.3401 0.2385 0.2420 0.047 Uiso 1 1 calc R U . . .
C8 C 0.2720(4) 0.2387(4) 0.1734(3) 0.0425(14) Uani 1 1 d . . . . .
H8 H 0.2511 0.1874 0.1848 0.051 Uiso 1 1 calc R U . . .
C9 C 0.4200(4) 0.3716(3) 0.2254(2) 0.0321(11) Uani 1 1 d . . . . .
H9A H 0.4438 0.3232 0.2509 0.039 Uiso 1 1 calc R U . . .
H9B H 0.4709 0.3847 0.1973 0.039 Uiso 1 1 calc R U . . .
C10 C 0.3492(3) 0.4548(3) 0.3228(2) 0.0288(11) Uani 1 1 d . . . . .
H10 H 0.3512 0.4081 0.3501 0.035 Uiso 1 1 calc R U . . .
C11 C 0.3172(3) 0.5433(3) 0.3353(2) 0.0244(10) Uani 1 1 d . . . . .
C12 C 0.2811(3) 0.5948(3) 0.3900(2) 0.0260(10) Uani 1 1 d . . . . .
C13 C 0.2671(3) 0.5590(3) 0.4460(2) 0.0298(11) Uani 1 1 d . . . . .
H13 H 0.2812 0.4976 0.4508 0.036 Uiso 1 1 calc R U . . .
C14 C 0.2323(4) 0.6145(4) 0.4949(2) 0.0320(11) Uani 1 1 d . . . . .
C15 C 0.2190(4) 0.5766(4) 0.5561(3) 0.0385(13) Uani 1 1 d . . . . .
C16 C 0.1822(7) 0.6082(6) 0.6596(3) 0.074(2) Uani 1 1 d . . . . .
H16A H 0.1372 0.5727 0.6642 0.111 Uiso 1 1 calc R U . . .
H16B H 0.1619 0.6587 0.6871 0.111 Uiso 1 1 calc R U . . .
H16C H 0.2384 0.5729 0.6686 0.111 Uiso 1 1 calc R U . . .
C17 C 0.2125(4) 0.7041(4) 0.4867(2) 0.0328(11) Uani 1 1 d . . . . .
H17 H 0.1884 0.7431 0.5198 0.039 Uiso 1 1 calc R U . . .
C18 C 0.2288(3) 0.7356(3) 0.4293(2) 0.0287(11) Uani 1 1 d . . . . .
C19 C 0.2134(3) 0.8283(3) 0.4171(2) 0.0294(11) Uani 1 1 d . . . . .
C20 C 0.1780(4) 0.9007(4) 0.4525(3) 0.0437(14) Uani 1 1 d . . . . .
H20 H 0.1529 0.9034 0.4936 0.052 Uiso 1 1 calc R U . . .
C21 C 0.1696(6) 1.0620(4) 0.4323(4) 0.063(2) Uani 1 1 d . . . . .
H21A H 0.1160 1.0779 0.4634 0.075 Uiso 1 1 calc R U . . .
H21B H 0.1591 1.0979 0.3969 0.075 Uiso 1 1 calc R U . . .
C22 C 0.2501(6) 1.0790(4) 0.4555(4) 0.063(2) Uani 1 1 d . . . . .
C23 C 0.3240(8) 1.0926(5) 0.4181(5) 0.086(3) Uani 1 1 d . . . . .
H23 H 0.3254 1.0956 0.3762 0.104 Uiso 1 1 calc R U . . .
C24 C 0.3983(8) 1.1020(5) 0.4436(6) 0.096(4) Uani 1 1 d . . . . .
H24 H 0.4505 1.1112 0.4187 0.116 Uiso 1 1 calc R U . . .
C25 C 0.3951(9) 1.0979(5) 0.5049(6) 0.093(4) Uani 1 1 d . . . . .
C26 C 0.3233(10) 1.0834(8) 0.5399(6) 0.114(5) Uani 1 1 d . . . . .
H26 H 0.3219 1.0794 0.5818 0.137 Uiso 1 1 calc R U . . .
C27 C 0.2514(7) 1.0741(6) 0.5159(4) 0.091(3) Uani 1 1 d . . . . .
H27 H 0.2004 1.0640 0.5417 0.109 Uiso 1 1 calc R U . . .
C28 C 0.4749(9) 1.1118(6) 0.5308(6) 0.091(3) Uani 1 1 d . U . . .
C29 C 0.6116(9) 1.1403(6) 0.5189(7) 0.135(6) Uani 1 1 d . . . . .
H29A H 0.5941 1.1963 0.5409 0.202 Uiso 1 1 calc R U . . .
H29B H 0.6611 1.1421 0.4865 0.202 Uiso 1 1 calc R U . . .
H29C H 0.6305 1.0933 0.5461 0.202 Uiso 1 1 calc R U . . .
C30 C -0.0795(7) 0.4553(7) 0.6431(5) 0.097(4) Uani 1 1 d . . . . .
H30A H -0.0161 0.4332 0.6445 0.146 Uiso 1 1 calc R U . . .
H30B H -0.1078 0.4061 0.6400 0.146 Uiso 1 1 calc R U . . .
H30C H -0.1080 0.4894 0.6795 0.146 Uiso 1 1 calc R U . . .
C31 C -0.0467(6) 0.5744(5) 0.5902(4) 0.067(2) Uani 1 1 d . . . . .
C32 C -0.0600(5) 0.6293(5) 0.5357(3) 0.0547(17) Uani 1 1 d . . . . .
C33 C -0.1071(5) 0.6114(6) 0.4922(3) 0.062(2) Uani 1 1 d . . . . .
H33 H -0.1324 0.5614 0.4955 0.074 Uiso 1 1 calc R U . . .
C34 C -0.1172(5) 0.6663(6) 0.4439(3) 0.0585(19) Uani 1 1 d . . . . .
H34 H -0.1514 0.6545 0.4153 0.070 Uiso 1 1 calc R U . . .
C35 C -0.0784(4) 0.7378(4) 0.4368(3) 0.0449(15) Uani 1 1 d . . . . .
C36 C -0.0297(4) 0.7543(4) 0.4806(3) 0.0422(14) Uani 1 1 d . . . . .
H36 H -0.0029 0.8032 0.4769 0.051 Uiso 1 1 calc R U . . .
C37 C -0.0205(5) 0.7009(5) 0.5282(3) 0.0498(16) Uani 1 1 d . . . . .
H37 H 0.0135 0.7129 0.5567 0.060 Uiso 1 1 calc R U . . .
C38 C -0.0854(4) 0.7962(5) 0.3844(3) 0.0490(16) Uani 1 1 d . . . . .
H38A H -0.1402 0.7939 0.3684 0.059 Uiso 1 1 calc R U . . .
H38B H -0.0900 0.8571 0.3973 0.059 Uiso 1 1 calc R U . . .
C39 C -0.0024(4) 0.7345(4) 0.2827(3) 0.0398(13) Uani 1 1 d . . . . .
H39 H -0.0496 0.7216 0.2653 0.048 Uiso 1 1 calc R U . . .
C40 C 0.0855(3) 0.7214(3) 0.2582(2) 0.0293(11) Uani 1 1 d . . . . .
C41 C 0.1361(3) 0.6869(3) 0.2008(2) 0.0284(11) Uani 1 1 d . . . . .
C42 C 0.0969(4) 0.6540(4) 0.1577(3) 0.0333(12) Uani 1 1 d . . . . .
H42 H 0.0349 0.6554 0.1641 0.040 Uiso 1 1 calc R U . . .
C43 C 0.1518(3) 0.6191(3) 0.1051(2) 0.0291(11) Uani 1 1 d . . . . .
C44 C 0.1087(4) 0.5837(4) 0.0593(3) 0.0370(13) Uani 1 1 d . . . . .
C45 C 0.1307(4) 0.4906(4) -0.0237(3) 0.0433(14) Uani 1 1 d . . . . .
H45A H 0.0835 0.4622 -0.0048 0.065 Uiso 1 1 calc R U . . .
H45B H 0.1779 0.4475 -0.0477 0.065 Uiso 1 1 calc R U . . .
H45C H 0.1059 0.5372 -0.0494 0.065 Uiso 1 1 calc R U . . .
C46 C 0.2413(3) 0.6199(3) 0.0963(2) 0.0265(10) Uani 1 1 d . . . . .
H46 H 0.2796 0.5950 0.0611 0.032 Uiso 1 1 calc R U . . .
C47 C 0.2742(3) 0.6579(3) 0.1402(2) 0.0238(10) Uani 1 1 d . . . . .
C48 C 0.3657(3) 0.6687(3) 0.1333(2) 0.0224(9) Uani 1 1 d . . . . .
C49 C 0.4366(3) 0.6489(3) 0.0877(2) 0.0264(10) Uani 1 1 d . . . . .
H49 H 0.4388 0.6215 0.0504 0.032 Uiso 1 1 calc R U . . .
C50 C 0.5934(3) 0.6755(3) 0.0761(3) 0.0329(12) Uani 1 1 d . . . . .
H50A H 0.6098 0.6311 0.0435 0.040 Uiso 1 1 calc R U . . .
H50B H 0.6360 0.6593 0.1043 0.040 Uiso 1 1 calc R U . . .
C51 C 0.5994(3) 0.7641(3) 0.0506(2) 0.0294(11) Uani 1 1 d . . . . .
C52 C 0.5751(3) 0.7878(3) -0.0050(2) 0.0314(11) Uani 1 1 d . . . . .
H52 H 0.5532 0.7483 -0.0266 0.038 Uiso 1 1 calc R U . . .
C53 C 0.5825(4) 0.8677(4) -0.0286(3) 0.0338(12) Uani 1 1 d . . . . .
H53 H 0.5653 0.8832 -0.0662 0.041 Uiso 1 1 calc R U . . .
C54 C 0.6152(4) 0.9257(3) 0.0023(2) 0.0317(11) Uani 1 1 d . . . . .
C55 C 0.6379(4) 0.9040(4) 0.0582(3) 0.0361(12) Uani 1 1 d . . . . .
H55 H 0.6587 0.9441 0.0800 0.043 Uiso 1 1 calc R U . . .
C56 C 0.6301(4) 0.8235(4) 0.0821(3) 0.0366(12) Uani 1 1 d . . . . .
H56 H 0.6458 0.8088 0.1202 0.044 Uiso 1 1 calc R U . . .
C57 C 0.6268(4) 1.0094(4) -0.0268(3) 0.0369(13) Uani 1 1 d . . . . .
C58 C 0.6668(4) 1.1442(4) -0.0185(3) 0.0481(16) Uani 1 1 d . . . . .
H58A H 0.7128 1.1310 -0.0540 0.072 Uiso 1 1 calc R U . . .
H58B H 0.6864 1.1786 0.0101 0.072 Uiso 1 1 calc R U . . .
H58C H 0.6113 1.1776 -0.0299 0.072 Uiso 1 1 calc R U . . .
C59 C 0.3307(8) 0.7944(10) 0.6992(5) 0.123(5) Uani 1 1 d . . . . .
H59A H 0.3480 0.7551 0.7312 0.184 Uiso 1 1 calc R U . . .
H59B H 0.2660 0.8056 0.7010 0.184 Uiso 1 1 calc R U . . .
H59C H 0.3484 0.8497 0.7039 0.184 Uiso 1 1 calc R U . . .
C60 C 0.4643(6) 0.7317(6) 0.6335(5) 0.077(3) Uani 1 1 d . . . . .
C61 C 0.5053(7) 0.6882(5) 0.5725(4) 0.070(2) Uani 1 1 d . . . . .
C62 C 0.5860(6) 0.6899(4) 0.5502(4) 0.059(2) Uani 1 1 d . . . . .
H62 H 0.6233 0.7090 0.5737 0.071 Uiso 1 1 calc R U . . .
C63 C 0.6169(5) 0.6644(4) 0.4932(3) 0.0510(17) Uani 1 1 d . . . . .
H63 H 0.6748 0.6712 0.4762 0.061 Uiso 1 1 calc R U . . .
C64 C 0.5688(4) 0.6287(4) 0.4576(3) 0.0411(14) Uani 1 1 d . . . . .
C65 C 0.4859(5) 0.6181(6) 0.4829(3) 0.069(2) Uani 1 1 d . . . . .
H65 H 0.4530 0.5893 0.4614 0.083 Uiso 1 1 calc R U . . .
C66 C 0.4504(6) 0.6504(7) 0.5409(4) 0.082(3) Uani 1 1 d . . . . .
H66 H 0.3917 0.6473 0.5586 0.099 Uiso 1 1 calc R U . . .
C67 C 0.6042(4) 0.6096(4) 0.3929(3) 0.0428(14) Uani 1 1 d . . . . .
H67A H 0.6667 0.6163 0.3842 0.051 Uiso 1 1 calc R U . . .
H67B H 0.6038 0.5485 0.3834 0.051 Uiso 1 1 calc R U . . .
C68 C 0.5663(4) 0.7428(3) 0.3294(2) 0.0327(12) Uani 1 1 d . . . . .
H68 H 0.6170 0.7670 0.3292 0.039 Uiso 1 1 calc R U . . .
C69 C 0.4928(3) 0.7753(3) 0.3033(2) 0.0270(10) Uani 1 1 d . . . . .
C70 C 0.4665(3) 0.8536(3) 0.2693(2) 0.0270(10) Uani 1 1 d . . . . .
C71 C 0.5214(4) 0.9123(4) 0.2537(3) 0.0351(12) Uani 1 1 d . . . . .
H71 H 0.5781 0.9036 0.2659 0.042 Uiso 1 1 calc R U . . .
C72 C 0.4912(4) 0.9836(3) 0.2200(3) 0.0350(12) Uani 1 1 d . . . . .
C73 C 0.5520(4) 1.0454(4) 0.2015(3) 0.0452(15) Uani 1 1 d . . . . .
C74 C 0.5701(5) 1.1718(4) 0.1492(3) 0.0508(16) Uani 1 1 d . . . . .
H74A H 0.5817 1.2002 0.1842 0.076 Uiso 1 1 calc R U . . .
H74B H 0.5380 1.2160 0.1249 0.076 Uiso 1 1 calc R U . . .
H74C H 0.6267 1.1421 0.1254 0.076 Uiso 1 1 calc R U . . .
C75 C 0.4080(4) 0.9960(3) 0.2038(2) 0.0318(11) Uani 1 1 d . . . . .
H75 H 0.3864 1.0451 0.1812 0.038 Uiso 1 1 calc R U . . .
C76 C 0.3565(3) 0.9356(3) 0.2212(2) 0.0265(10) Uani 1 1 d . . . . .
C77 C 0.2686(3) 0.9419(3) 0.2053(2) 0.0272(10) Uani 1 1 d . . . . .
C78 C 0.2168(4) 1.0022(3) 0.1733(3) 0.0329(12) Uani 1 1 d . . . . .
H78 H 0.2304 1.0535 0.1551 0.040 Uiso 1 1 calc R U . . .
C79 C 0.0666(4) 1.0065(4) 0.1429(3) 0.0393(14) Uani 1 1 d . . . . .
H79A H 0.0602 1.0702 0.1379 0.047 Uiso 1 1 calc R U . . .
H79B H 0.0111 0.9964 0.1672 0.047 Uiso 1 1 calc R U . . .
C80 C 0.0803(4) 0.9628(4) 0.0830(3) 0.0393(14) Uani 1 1 d . . . . .
C81 C 0.1110(4) 1.0037(4) 0.0323(3) 0.0477(16) Uani 1 1 d . . . . .
H81 H 0.1238 1.0596 0.0359 0.057 Uiso 1 1 calc R U . . .
C82 C 0.1235(5) 0.9659(5) -0.0231(4) 0.0588(19) Uani 1 1 d . . . . .
H82 H 0.1451 0.9952 -0.0574 0.071 Uiso 1 1 calc R U . . .
C83 C 0.1048(5) 0.8859(6) -0.0288(4) 0.065(2) Uani 1 1 d . . . . .
C84 C 0.0750(5) 0.8417(4) 0.0216(4) 0.061(2) Uani 1 1 d . . . . .
H84 H 0.0635 0.7854 0.0175 0.074 Uiso 1 1 calc R U . . .
C85 C 0.0622(4) 0.8806(4) 0.0780(3) 0.0472(16) Uani 1 1 d . . . . .
H85 H 0.0414 0.8513 0.1126 0.057 Uiso 1 1 calc R U . . .
C86 C 0.1142(7) 0.8475(8) -0.0894(6) 0.090(3) Uani 1 1 d . . . . .
C87A C 0.0996(15) 0.7430(15) -0.1571(9) 0.095(6) Uani 0.5 1 d . U P A 1
H87A H 0.1065 0.7900 -0.1852 0.142 Uiso 0.5 1 calc R U P A 1
H87B H 0.0478 0.7205 -0.1629 0.142 Uiso 0.5 1 calc R U P A 1
H87C H 0.1532 0.6958 -0.1641 0.142 Uiso 0.5 1 calc R U P A 1
C87B C 0.171(2) 0.852(2) -0.1842(13) 0.132(9) Uani 0.5 1 d . U P B 2
H87D H 0.1971 0.8924 -0.2110 0.198 Uiso 0.5 1 calc R U P B 2
H87E H 0.2143 0.7966 -0.1838 0.198 Uiso 0.5 1 calc R U P B 2
H87F H 0.1178 0.8417 -0.1982 0.198 Uiso 0.5 1 calc R U P B 2
Eu1 Eu 0.29189(2) 0.74780(2) 0.27586(2) 0.02404(9) Uani 1 1 d . . . . .
N1 N 0.3767(3) 0.4495(3) 0.26325(19) 0.0274(9) Uani 1 1 d . . . . .
N2 N 0.3632(3) 0.5277(3) 0.23839(19) 0.0279(9) Uani 1 1 d . . . . .
N3 N 0.3270(3) 0.5847(3) 0.28185(18) 0.0259(9) Uani 1 1 d . . . . .
N4 N 0.2625(3) 0.6816(3) 0.38148(18) 0.0243(8) Uani 1 1 d . . . . .
N5 N 0.2409(3) 0.8557(3) 0.3612(2) 0.0317(10) Uani 1 1 d . . . . .
N6 N 0.2255(3) 0.9412(3) 0.3607(2) 0.0399(11) Uani 1 1 d . . . . .
N7 N 0.1866(4) 0.9675(3) 0.4160(2) 0.0457(13) Uani 1 1 d . . . . .
N8 N -0.0074(3) 0.7696(3) 0.3371(2) 0.0396(11) Uani 1 1 d . . . . .
N9 N 0.0718(3) 0.7786(3) 0.3474(2) 0.0343(10) Uani 1 1 d . . . . .
N10 N 0.1290(3) 0.7491(3) 0.29928(19) 0.0288(9) Uani 1 1 d . . . . .
N11 N 0.2227(3) 0.6895(3) 0.19228(18) 0.0243(8) Uani 1 1 d . . . . .
N12 N 0.3929(3) 0.7077(3) 0.17808(19) 0.0263(9) Uani 1 1 d . . . . .
N13 N 0.4762(3) 0.7127(3) 0.1620(2) 0.0288(9) Uani 1 1 d . . . . .
N14 N 0.5024(3) 0.6767(3) 0.10731(19) 0.0271(9) Uani 1 1 d . . . . .
N15 N 0.5505(3) 0.6688(3) 0.3554(2) 0.0355(10) Uani 1 1 d . . . . .
N16 N 0.4729(3) 0.6534(3) 0.3467(2) 0.0353(10) Uani 1 1 d . . . . .
N17 N 0.4372(3) 0.7190(3) 0.31483(19) 0.0299(9) Uani 1 1 d . . . . .
N18 N 0.3855(3) 0.8647(3) 0.25334(18) 0.0256(9) Uani 1 1 d . . . . .
N19 N 0.2224(3) 0.8787(3) 0.2224(2) 0.0287(9) Uani 1 1 d . . . . .
N20 N 0.1458(3) 0.8970(3) 0.2034(2) 0.0321(10) Uani 1 1 d . . . . .
N21 N 0.1429(3) 0.9716(3) 0.1739(2) 0.0330(10) Uani 1 1 d . . . . .
O1 O 0.1794(3) 0.2892(3) 0.0380(2) 0.0511(12) Uani 1 1 d . . . . .
O2 O 0.1694(3) 0.1777(3) 0.0990(2) 0.0561(13) Uani 1 1 d . . . . .
O3 O 0.1958(4) 0.6386(3) 0.59778(19) 0.0598(13) Uani 1 1 d . . . . .
O4 O 0.2299(3) 0.4993(3) 0.56494(19) 0.0461(10) Uani 1 1 d . . . . .
O5 O 0.5370(6) 1.1246(4) 0.4944(6) 0.126(4) Uani 1 1 d . . . . .
O6 O 0.4699(7) 1.1069(6) 0.5881(5) 0.153(5) Uani 1 1 d . . . . .
O7 O -0.0895(4) 0.5104(4) 0.5916(3) 0.0829(18) Uani 1 1 d . . . . .
O8 O -0.0024(6) 0.5847(5) 0.6249(3) 0.095(2) Uani 1 1 d . . . . .
O9 O 0.1674(3) 0.5277(2) 0.02211(17) 0.0344(8) Uani 1 1 d . . . . .
O10 O 0.0311(3) 0.6064(4) 0.0568(3) 0.0736(18) Uani 1 1 d . . . . .
O11 O 0.6517(3) 1.0632(2) 0.0087(2) 0.0416(10) Uani 1 1 d . . . . .
O12 O 0.6162(3) 1.0264(3) -0.0770(2) 0.0523(12) Uani 1 1 d . . . . .
O13 O 0.3752(5) 0.7537(5) 0.6414(3) 0.093(2) Uani 1 1 d . . . . .
O14 O 0.5088(5) 0.7490(4) 0.6692(3) 0.0828(18) Uani 1 1 d . . . . .
O15 O 0.6239(3) 1.0363(4) 0.2151(3) 0.079(2) Uani 1 1 d . . . . .
O16 O 0.5167(3) 1.1088(3) 0.1684(2) 0.0453(10) Uani 1 1 d . . . . .
O17 O 0.1497(7) 0.8839(6) -0.1337(4) 0.123(3) Uani 1 1 d . . . . .
O18 O 0.0859(5) 0.7783(5) -0.0936(4) 0.106(3) Uani 1 1 d . . . . .
F1 F 0.2570(2) 0.6833(2) 0.95427(18) 0.0531(9) Uani 1 1 d . . . . .
F2 F 0.2664(3) 0.5786(3) 0.89326(18) 0.0593(11) Uani 1 1 d . . . . .
F3 F 0.3210(3) 0.6889(3) 0.86367(19) 0.0653(12) Uani 1 1 d . . . . .
C88 C 0.3095(4) 0.6355(4) 0.9096(3) 0.0384(13) Uani 1 1 d . . . . .
S1 S 0.41614(9) 0.58177(8) 0.93022(6) 0.0314(3) Uani 1 1 d . . . . .
O19 O 0.3906(3) 0.5299(2) 0.98023(17) 0.0359(9) Uani 1 1 d . . . . .
O20 O 0.4517(3) 0.6543(3) 0.94471(19) 0.0413(10) Uani 1 1 d . . . . .
O21 O 0.4629(3) 0.5329(3) 0.8777(2) 0.0563(12) Uani 1 1 d . . . . .
N1A N 0.4215(7) 0.5736(6) 0.6917(6) 0.126(4) Uani 1 1 d . . . C 1
C2A C 0.3994(8) 0.4537(7) 0.7751(4) 0.092(3) Uani 1 1 d . . . C 1
H2A1 H 0.3505 0.4278 0.7676 0.138 Uiso 1 1 calc R U . C 1
H2A2 H 0.3847 0.4809 0.8150 0.138 Uiso 1 1 calc R U . C 1
H2A3 H 0.4541 0.4081 0.7726 0.138 Uiso 1 1 calc R U . C 1
C3A C 0.4129(6) 0.5208(6) 0.7300(4) 0.071(2) Uani 1 1 d . . . C 1
N1B N 0.7349(11) 0.8727(11) 1.3037(9) 0.092(5) Uani 0.5 1 d . . P D 1
C2B C 0.8289(12) 0.9213(14) 1.2105(12) 0.115(10) Uani 0.5 1 d . . P D 1
H2B1 H 0.8845 0.8766 1.2028 0.173 Uiso 0.5 1 calc R U P D 1
H2B2 H 0.8427 0.9788 1.2137 0.173 Uiso 0.5 1 calc R U P D 1
H2B3 H 0.7955 0.9210 1.1776 0.173 Uiso 0.5 1 calc R U P D 1
C3B C 0.7766(12) 0.9032(18) 1.2649(11) 0.118(11) Uani 0.5 1 d . . P D 1
N1C N 0.7684(13) 0.7046(10) 0.6431(8) 0.095(7) Uani 0.5 1 d . . P E 1
C2C C 0.8728(15) 0.7619(13) 0.6910(8) 0.093(8) Uani 0.5 1 d . . P E 1
H2C1 H 0.8847 0.7257 0.7255 0.139 Uiso 0.5 1 calc R U P E 1
H2C2 H 0.8484 0.8227 0.7042 0.139 Uiso 0.5 1 calc R U P E 1
H2C3 H 0.9284 0.7580 0.6628 0.139 Uiso 0.5 1 calc R U P E 1
C3C C 0.8179(14) 0.7355(14) 0.6660(8) 0.075(6) Uani 0.5 1 d . . P E 1
N1D N 0.980(7) 0.413(3) 1.147(3) 0.26(5) Uani 0.25 1 d . . P F 1
C2D C 1.090(3) 0.451(2) 1.2178(15) 0.088(14) Uani 0.25 1 d . . P F 1
H2D1 H 1.0510 0.5005 1.2416 0.131 Uiso 0.25 1 calc R U P F 1
H2D2 H 1.1476 0.4644 1.2033 0.131 Uiso 0.25 1 calc R U P F 1
H2D3 H 1.0975 0.3989 1.2426 0.131 Uiso 0.25 1 calc R U P F 1
C3D C 1.046(3) 0.433(2) 1.164(3) 0.12(2) Uani 0.25 1 d . . P F 1
F4A F 0.03310(15) 0.8954(2) 0.72433(10) 0.210(8) Uani 0.589(6) 1 d G U P G 1
F5A F 0.0407(2) 1.02728(19) 0.70553(13) 0.38(2) Uani 0.589(6) 1 d G U P G 1
F6A F -0.07527(17) 0.9821(3) 0.69194(11) 0.58(4) Uani 0.589(6) 1 d G U P G 1
C89A C 0.01401(17) 0.9599(2) 0.68710(10) 0.122(8) Uani 0.589(6) 1 d G U P G 1
S2A S 0.06543(17) 0.92798(17) 0.61020(10) 0.0629(11) Uani 0.589(6) 1 d G U P G
1
O22A O 0.15919(17) 0.9085(2) 0.61308(9) 0.175(4) Uani 0.589(6) 1 d G . P G 1
O23A O 0.0348(2) 1.00583(19) 0.57788(12) 0.094(4) Uani 0.589(6) 1 d G . P G 1
O24A O 0.0303(2) 0.85450(18) 0.59830(13) 0.110(5) Uani 0.589(6) 1 d G . P G 1
F4B F -0.0182(2) 1.03478(18) 0.62012(13) 0.178(10) Uani 0.411(6) 1 d G U P G 2
F5B F 0.0407(2) 1.02728(19) 0.70553(13) 0.083(4) Uani 0.411(6) 1 d G U P G 2
F6B F -0.06552(16) 0.9469(3) 0.68768(11) 0.067(3) Uani 0.411(6) 1 d G U P G 2
C89B C 0.00922(17) 0.97361(19) 0.66147(11) 0.097(8) Uani 0.411(6) 1 d G U P G 2
S2B S 0.09643(17) 0.88862(17) 0.63271(10) 0.079(2) Uani 0.411(6) 1 d G . P G 2
O22B O 0.15919(17) 0.9085(2) 0.61308(9) 0.175(4) Uani 0.411(6) 1 d G . P G 2
O23B O 0.11004(18) 0.83705(16) 0.68041(11) 0.175(4) Uani 0.411(6) 1 d G . P G 2
O24B O 0.0741(2) 0.85338(18) 0.58764(12) 0.175(4) Uani 0.411(6) 1 d G . P G 2
F7A F 0.8385(2) 0.7377(2) 1.17845(13) 0.157(7) Uani 0.597(5) 1 d G . P H 1
F8A F 0.80001(15) 0.62423(19) 1.15165(10) 0.140(5) Uani 0.597(5) 1 d G U P H 1
F9A F 0.70202(17) 0.72763(19) 1.20101(10) 0.086(3) Uani 0.597(5) 1 d G . P H 1
C90A C 0.78695(15) 0.68225(18) 1.19526(10) 0.110(7) Uani 0.597(5) 1 d G U P H 1
S3A S 0.80935(16) 0.6303(2) 1.26537(10) 0.0838(15) Uani 0.597(5) 1 d G . P H 1
O25A O 0.7457(2) 0.5751(3) 1.27565(13) 0.127(6) Uani 0.597(5) 1 d G . P H 1
O26A O 0.90095(17) 0.5841(2) 1.25089(11) 0.120(6) Uani 0.597(5) 1 d G . P H 1
O27A O 0.79325(19) 0.7020(2) 1.30664(11) 0.145(7) Uani 0.597(5) 1 d G . P H 1
F7B F 0.8447(3) 0.47111(19) 1.21012(18) 0.104(5) Uani 0.403(5) 1 d G . P H 2
F8B F 0.9405(2) 0.5197(3) 1.14873(14) 0.094(4) Uani 0.403(5) 1 d G . P H 2
F9B F 0.9407(2) 0.5284(2) 1.24308(13) 0.101(5) Uani 0.403(5) 1 d G . P H 2
C90B C 0.8884(2) 0.5346(2) 1.20105(13) 0.069(5) Uani 0.403(5) 1 d G U P H 2
S3B S 0.81253(15) 0.64207(19) 1.20485(10) 0.0625(17) Uani 0.403(5) 1 d G . P H
2
O25B O 0.87322(18) 0.7002(2) 1.19522(12) 0.061(4) Uani 0.403(5) 1 d G . P H 2
O26B O 0.76381(15) 0.63774(17) 1.15689(10) 0.175(4) Uani 0.403(5) 1 d G . P H 2
O27B O 0.76120(16) 0.6464(2) 1.26340(10) 0.175(4) Uani 0.403(5) 1 d G . P H 2


_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
C1 O1 1.445(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 O2 1.206(7) . ?
C2 O1 1.330(7) . ?
C2 C3 1.497(8) . ?
C3 C8 1.385(8) . ?
C3 C4 1.391(8) . ?
C4 C5 1.390(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.388(8) . ?
C6 C9 1.504(7) . ?
C7 C8 1.377(8) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 N1 1.475(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N1 1.350(7) . ?
C10 C11 1.386(7) . ?
C10 H10 0.9500 . ?
C11 N3 1.371(6) . ?
C11 C12 1.457(7) . ?
C12 N4 1.346(6) . ?
C12 C13 1.388(7) . ?
C13 C14 1.383(8) . ?
C13 H13 0.9500 . ?
C14 C17 1.388(8) . ?
C14 C15 1.505(8) . ?
C15 O4 1.205(7) . ?
C15 O3 1.321(7) . ?
C16 O3 1.474(8) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.392(8) . ?
C17 H17 0.9500 . ?
C18 N4 1.352(6) . ?
C18 C19 1.451(7) . ?
C19 C20 1.361(8) . ?
C19 N5 1.367(7) . ?
C20 N7 1.342(8) . ?
C20 H20 0.9500 . ?
C21 N7 1.492(7) . ?
C21 C22 1.517(11) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.371(14) . ?
C22 C27 1.378(12) . ?
C23 C24 1.415(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.387(16) . ?
C24 H24 0.9500 . ?
C25 C26 1.325(18) . ?
C25 C28 1.522(14) . ?
C26 C27 1.361(15) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 O5 1.216(15) . ?
C28 O6 1.295(16) . ?
C29 O5 1.441(11) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 O7 1.452(11) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 O8 1.167(10) . ?
C31 O7 1.321(10) . ?
C31 C32 1.514(11) . ?
C32 C37 1.392(10) . ?
C32 C33 1.394(10) . ?
C33 C34 1.393(11) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.407(9) . ?
C35 C38 1.495(10) . ?
C36 C37 1.364(10) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 N8 1.474(8) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 N8 1.348(7) . ?
C39 C40 1.366(8) . ?
C39 H39 0.9500 . ?
C40 N10 1.371(6) . ?
C40 C41 1.455(7) . ?
C41 N11 1.344(6) . ?
C41 C42 1.399(7) . ?
C42 C43 1.395(8) . ?
C42 H42 0.9500 . ?
C43 C46 1.380(7) . ?
C43 C44 1.506(7) . ?
C44 O10 1.195(7) . ?
C44 O9 1.320(7) . ?
C45 O9 1.456(6) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.393(7) . ?
C46 H46 0.9500 . ?
C47 N11 1.351(6) . ?
C47 C48 1.459(7) . ?
C48 N12 1.369(6) . ?
C48 C49 1.370(7) . ?
C49 N14 1.341(6) . ?
C49 H49 0.9500 . ?
C50 N14 1.476(6) . ?
C50 C51 1.513(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C56 1.395(7) . ?
C51 C52 1.400(8) . ?
C52 C53 1.378(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.392(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.392(8) . ?
C54 C57 1.495(7) . ?
C55 C56 1.388(8) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 O12 1.196(7) . ?
C57 O11 1.338(7) . ?
C58 O11 1.454(7) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 O13 1.466(12) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 O14 1.221(10) . ?
C60 O13 1.338(11) . ?
C60 C61 1.534(13) . ?
C61 C62 1.284(12) . ?
C61 C66 1.431(12) . ?
C62 C63 1.342(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.391(8) . ?
C63 H63 0.9500 . ?
C64 C65 1.371(10) . ?
C64 C67 1.494(9) . ?
C65 C66 1.400(12) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 N15 1.469(6) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 N15 1.347(7) . ?
C68 C69 1.372(7) . ?
C68 H68 0.9500 . ?
C69 N17 1.365(7) . ?
C69 C70 1.457(7) . ?
C70 N18 1.347(6) . ?
C70 C71 1.396(7) . ?
C71 C72 1.385(8) . ?
C71 H71 0.9500 . ?
C72 C75 1.379(7) . ?
C72 C73 1.510(7) . ?
C73 O15 1.190(7) . ?
C73 O16 1.314(7) . ?
C74 O16 1.448(7) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.387(7) . ?
C75 H75 0.9500 . ?
C76 N18 1.354(6) . ?
C76 C77 1.458(7) . ?
C77 N19 1.366(6) . ?
C77 C78 1.381(7) . ?
C78 N21 1.342(7) . ?
C78 H78 0.9500 . ?
C79 N21 1.481(6) . ?
C79 C80 1.498(9) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.378(9) . ?
C80 C85 1.392(8) . ?
C81 C82 1.367(10) . ?
C81 H81 0.9500 . ?
C82 C83 1.364(11) . ?
C82 H82 0.9500 . ?
C83 C84 1.397(12) . ?
C83 C86 1.486(13) . ?
C84 C85 1.396(11) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C86 O17 1.260(15) . ?
C86 O18 1.271(14) . ?
C87A O18 1.521(19) . ?
C87A H87A 0.9800 . ?
C87A H87B 0.9800 . ?
C87A H87C 0.9800 . ?
C87B O17 1.22(3) . ?
C87B H87D 0.9800 . ?
C87B H87E 0.9800 . ?
C87B H87F 0.9800 . ?
Eu1 N19 2.498(4) . ?
Eu1 N3 2.504(4) . ?
Eu1 N10 2.505(4) . ?
Eu1 N12 2.506(4) . ?
Eu1 N5 2.507(4) . ?
Eu1 N17 2.515(4) . ?
Eu1 N18 2.584(4) . ?
Eu1 N11 2.607(4) . ?
Eu1 N4 2.611(4) . ?
N1 N2 1.332(6) . ?
N2 N3 1.312(6) . ?
N5 N6 1.312(6) . ?
N6 N7 1.334(7) . ?
N8 N9 1.331(7) . ?
N9 N10 1.313(6) . ?
N12 N13 1.311(6) . ?
N13 N14 1.338(6) . ?
N15 N16 1.331(6) . ?
N16 N17 1.322(6) . ?
N19 N20 1.310(6) . ?
N20 N21 1.336(6) . ?
F1 C88 1.323(7) . ?
F2 C88 1.323(7) . ?
F3 C88 1.341(7) . ?
C88 S1 1.823(6) . ?
S1 O21 1.430(5) . ?
S1 O20 1.438(4) . ?
S1 O19 1.441(4) . ?
N1A C3A 1.205(14) . ?
C2A C3A 1.481(14) . ?
C2A H2A1 0.9800 . ?
C2A H2A2 0.9800 . ?
C2A H2A3 0.9800 . ?
N1B C3B 1.17(2) . ?
C2B C3B 1.43(3) . ?
C2B H2B1 0.9800 . ?
C2B H2B2 0.9800 . ?
C2B H2B3 0.9800 . ?
N1C C3C 1.19(3) . ?
C2C C3C 1.25(3) . ?
C2C H2C1 0.9800 . ?
C2C H2C2 0.9800 . ?
C2C H2C3 0.9800 . ?
N1D C3D 1.27(9) . ?
C2D C3D 1.54(8) . ?
C2D H2D1 0.9800 . ?
C2D H2D2 0.9800 . ?
C2D H2D3 0.9800 . ?
F4A C89A 1.3229 . ?
F5A C89A 1.3179 . ?
F6A C89A 1.3458 . ?
C89A S2A 1.8289 . ?
S2A O24A 1.4304 . ?
S2A O22A 1.4395 . ?
S2A O23A 1.4453 . ?
F4B C89B 1.3815 . ?
F5B C89B 1.5272 . ?
F6B C89B 1.3677 . ?
C89B S2B 1.7307 . ?
S2B O22B 1.1143 . ?
S2B O24B 1.3047 . ?
S2B O23B 1.3588 . ?
F7A C90A 1.3229 . ?
F8A C90A 1.3188 . ?
F9A C90A 1.3454 . ?
C90A S3A 1.8281 . ?
S3A O27A 1.4306 . ?
S3A O26A 1.4397 . ?
S3A O25A 1.4452 . ?
F7B C90B 1.3230 . ?
F8B C90B 1.3184 . ?
F9B C90B 1.3449 . ?
C90B S3B 1.8289 . ?
S3B O27B 1.4307 . ?
S3B O26B 1.4394 . ?
S3B O25B 1.4449 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 O1 123.3(5) . . ?
O2 C2 C3 123.7(6) . . ?
O1 C2 C3 112.9(5) . . ?
C8 C3 C4 119.6(5) . . ?
C8 C3 C2 118.0(5) . . ?
C4 C3 C2 122.3(5) . . ?
C5 C4 C3 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.2(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C5 119.5(5) . . ?
C7 C6 C9 119.7(5) . . ?
C5 C6 C9 120.7(5) . . ?
C8 C7 C6 120.1(5) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C3 120.7(5) . . ?
C7 C8 H8 119.6 . . ?
C3 C8 H8 119.6 . . ?
N1 C9 C6 112.4(4) . . ?
N1 C9 H9A 109.1 . . ?
C6 C9 H9A 109.1 . . ?
N1 C9 H9B 109.1 . . ?
C6 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
N1 C10 C11 104.7(4) . . ?
N1 C10 H10 127.6 . . ?
C11 C10 H10 127.6 . . ?
N3 C11 C10 106.4(4) . . ?
N3 C11 C12 119.5(4) . . ?
C10 C11 C12 134.1(5) . . ?
N4 C12 C13 122.4(5) . . ?
N4 C12 C11 113.8(4) . . ?
C13 C12 C11 123.9(4) . . ?
C14 C13 C12 118.8(5) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C17 119.5(5) . . ?
C13 C14 C15 119.3(5) . . ?
C17 C14 C15 121.2(5) . . ?
O4 C15 O3 125.3(5) . . ?
O4 C15 C14 123.5(5) . . ?
O3 C15 C14 111.2(5) . . ?
O3 C16 H16A 109.5 . . ?
O3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 C18 118.8(5) . . ?
C14 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
N4 C18 C17 121.9(5) . . ?
N4 C18 C19 115.7(5) . . ?
C17 C18 C19 122.4(5) . . ?
C20 C19 N5 107.6(5) . . ?
C20 C19 C18 132.5(5) . . ?
N5 C19 C18 119.8(5) . . ?
N7 C20 C19 104.2(5) . . ?
N7 C20 H20 127.9 . . ?
C19 C20 H20 127.9 . . ?
N7 C21 C22 108.7(5) . . ?
N7 C21 H21A 110.0 . . ?
C22 C21 H21A 110.0 . . ?
N7 C21 H21B 110.0 . . ?
C22 C21 H21B 110.0 . . ?
H21A C21 H21B 108.3 . . ?
C23 C22 C27 119.0(9) . . ?
C23 C22 C21 122.2(8) . . ?
C27 C22 C21 118.7(9) . . ?
C22 C23 C24 118.2(10) . . ?
C22 C23 H23 120.9 . . ?
C24 C23 H23 120.9 . . ?
C25 C24 C23 120.2(11) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C24 120.3(10) . . ?
C26 C25 C28 121.0(13) . . ?
C24 C25 C28 118.7(13) . . ?
C25 C26 C27 120.0(12) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C22 122.3(12) . . ?
C26 C27 H27 118.9 . . ?
C22 C27 H27 118.9 . . ?
O5 C28 O6 127.9(12) . . ?
O5 C28 C25 115.2(12) . . ?
O6 C28 C25 117.0(14) . . ?
O5 C29 H29A 109.5 . . ?
O5 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O5 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O7 C30 H30A 109.5 . . ?
O7 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O7 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O8 C31 O7 124.6(9) . . ?
O8 C31 C32 125.1(7) . . ?
O7 C31 C32 110.2(8) . . ?
C37 C32 C33 118.3(7) . . ?
C37 C32 C31 117.6(7) . . ?
C33 C32 C31 124.1(7) . . ?
C34 C33 C32 120.3(7) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C35 C34 C33 121.1(7) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C36 118.0(7) . . ?
C34 C35 C38 122.3(6) . . ?
C36 C35 C38 119.7(6) . . ?
C37 C36 C35 120.9(6) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C32 121.3(7) . . ?
C36 C37 H37 119.3 . . ?
C32 C37 H37 119.3 . . ?
N8 C38 C35 111.1(5) . . ?
N8 C38 H38A 109.4 . . ?
C35 C38 H38A 109.4 . . ?
N8 C38 H38B 109.4 . . ?
C35 C38 H38B 109.4 . . ?
H38A C38 H38B 108.0 . . ?
N8 C39 C40 104.5(5) . . ?
N8 C39 H39 127.7 . . ?
C40 C39 H39 127.7 . . ?
C39 C40 N10 107.5(5) . . ?
C39 C40 C41 133.4(5) . . ?
N10 C40 C41 119.1(4) . . ?
N11 C41 C42 122.7(5) . . ?
N11 C41 C40 115.0(4) . . ?
C42 C41 C40 122.2(5) . . ?
C43 C42 C41 117.8(5) . . ?
C43 C42 H42 121.1 . . ?
C41 C42 H42 121.1 . . ?
C46 C43 C42 119.9(5) . . ?
C46 C43 C44 122.8(5) . . ?
C42 C43 C44 117.2(5) . . ?
O10 C44 O9 125.3(5) . . ?
O10 C44 C43 123.0(5) . . ?
O9 C44 C43 111.7(5) . . ?
O9 C45 H45A 109.5 . . ?
O9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 C47 118.6(5) . . ?
C43 C46 H46 120.7 . . ?
C47 C46 H46 120.7 . . ?
N11 C47 C46 122.3(4) . . ?
N11 C47 C48 114.5(4) . . ?
C46 C47 C48 123.1(5) . . ?
N12 C48 C49 107.4(4) . . ?
N12 C48 C47 119.7(4) . . ?
C49 C48 C47 132.8(4) . . ?
N14 C49 C48 104.8(4) . . ?
N14 C49 H49 127.6 . . ?
C48 C49 H49 127.6 . . ?
N14 C50 C51 110.8(4) . . ?
N14 C50 H50A 109.5 . . ?
C51 C50 H50A 109.5 . . ?
N14 C50 H50B 109.5 . . ?
C51 C50 H50B 109.5 . . ?
H50A C50 H50B 108.1 . . ?
C56 C51 C52 118.7(5) . . ?
C56 C51 C50 120.4(5) . . ?
C52 C51 C50 120.9(5) . . ?
C53 C52 C51 120.7(5) . . ?
C53 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C52 C53 C54 120.2(5) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C53 C54 C55 119.8(5) . . ?
C53 C54 C57 118.1(5) . . ?
C55 C54 C57 122.1(5) . . ?
C56 C55 C54 119.8(5) . . ?
C56 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C55 C56 C51 120.7(5) . . ?
C55 C56 H56 119.7 . . ?
C51 C56 H56 119.7 . . ?
O12 C57 O11 123.2(5) . . ?
O12 C57 C54 123.8(5) . . ?
O11 C57 C54 113.0(5) . . ?
O11 C58 H58A 109.5 . . ?
O11 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O11 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O13 C59 H59A 109.5 . . ?
O13 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O13 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O14 C60 O13 124.1(9) . . ?
O14 C60 C61 123.2(9) . . ?
O13 C60 C61 112.6(7) . . ?
C62 C61 C66 122.0(9) . . ?
C62 C61 C60 119.4(7) . . ?
C66 C61 C60 118.5(9) . . ?
C61 C62 C63 119.1(7) . . ?
C61 C62 H62 120.4 . . ?
C63 C62 H62 120.4 . . ?
C62 C63 C64 123.6(8) . . ?
C62 C63 H63 118.2 . . ?
C64 C63 H63 118.2 . . ?
C65 C64 C63 117.6(7) . . ?
C65 C64 C67 121.8(6) . . ?
C63 C64 C67 120.4(6) . . ?
C64 C65 C66 119.2(7) . . ?
C64 C65 H65 120.4 . . ?
C66 C65 H65 120.4 . . ?
C65 C66 C61 117.9(9) . . ?
C65 C66 H66 121.0 . . ?
C61 C66 H66 121.0 . . ?
N15 C67 C64 111.0(5) . . ?
N15 C67 H67A 109.4 . . ?
C64 C67 H67A 109.4 . . ?
N15 C67 H67B 109.4 . . ?
C64 C67 H67B 109.4 . . ?
H67A C67 H67B 108.0 . . ?
N15 C68 C69 104.6(5) . . ?
N15 C68 H68 127.7 . . ?
C69 C68 H68 127.7 . . ?
N17 C69 C68 107.4(4) . . ?
N17 C69 C70 119.5(4) . . ?
C68 C69 C70 133.1(5) . . ?
N18 C70 C71 122.3(5) . . ?
N18 C70 C69 115.0(4) . . ?
C71 C70 C69 122.7(5) . . ?
C72 C71 C70 118.2(5) . . ?
C72 C71 H71 120.9 . . ?
C70 C71 H71 120.9 . . ?
C75 C72 C71 120.0(5) . . ?
C75 C72 C73 121.9(5) . . ?
C71 C72 C73 118.1(5) . . ?
O15 C73 O16 124.5(5) . . ?
O15 C73 C72 123.2(6) . . ?
O16 C73 C72 112.3(5) . . ?
O16 C74 H74A 109.5 . . ?
O16 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
O16 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 C76 118.8(5) . . ?
C72 C75 H75 120.6 . . ?
C76 C75 H75 120.6 . . ?
N18 C76 C75 122.0(5) . . ?
N18 C76 C77 115.0(4) . . ?
C75 C76 C77 123.0(5) . . ?
N19 C77 C78 107.2(4) . . ?
N19 C77 C76 120.0(4) . . ?
C78 C77 C76 132.7(5) . . ?
N21 C78 C77 104.3(4) . . ?
N21 C78 H78 127.9 . . ?
C77 C78 H78 127.9 . . ?
N21 C79 C80 110.5(5) . . ?
N21 C79 H79A 109.6 . . ?
C80 C79 H79A 109.6 . . ?
N21 C79 H79B 109.6 . . ?
C80 C79 H79B 109.6 . . ?
H79A C79 H79B 108.1 . . ?
C81 C80 C85 119.4(6) . . ?
C81 C80 C79 120.3(5) . . ?
C85 C80 C79 120.3(6) . . ?
C82 C81 C80 121.7(6) . . ?
C82 C81 H81 119.2 . . ?
C80 C81 H81 119.2 . . ?
C83 C82 C81 119.6(8) . . ?
C83 C82 H82 120.2 . . ?
C81 C82 H82 120.2 . . ?
C82 C83 C84 120.4(7) . . ?
C82 C83 C86 119.2(10) . . ?
C84 C83 C86 120.4(9) . . ?
C85 C84 C83 119.8(7) . . ?
C85 C84 H84 120.1 . . ?
C83 C84 H84 120.1 . . ?
C80 C85 C84 119.0(7) . . ?
C80 C85 H85 120.5 . . ?
C84 C85 H85 120.5 . . ?
O17 C86 O18 123.2(11) . . ?
O17 C86 C83 119.3(11) . . ?
O18 C86 C83 117.5(12) . . ?
O18 C87A H87A 109.5 . . ?
O18 C87A H87B 109.5 . . ?
H87A C87A H87B 109.5 . . ?
O18 C87A H87C 109.5 . . ?
H87A C87A H87C 109.5 . . ?
H87B C87A H87C 109.5 . . ?
O17 C87B H87D 109.5 . . ?
O17 C87B H87E 109.5 . . ?
H87D C87B H87E 109.5 . . ?
O17 C87B H87F 109.5 . . ?
H87D C87B H87F 109.5 . . ?
H87E C87B H87F 109.5 . . ?
N19 Eu1 N3 146.84(13) . . ?
N19 Eu1 N10 76.85(14) . . ?
N3 Eu1 N10 89.67(14) . . ?
N19 Eu1 N12 84.68(14) . . ?
N3 Eu1 N12 79.54(13) . . ?
N10 Eu1 N12 127.00(13) . . ?
N19 Eu1 N5 80.19(14) . . ?
N3 Eu1 N5 127.05(14) . . ?
N10 Eu1 N5 78.33(14) . . ?
N12 Eu1 N5 146.36(14) . . ?
N19 Eu1 N17 128.33(13) . . ?
N3 Eu1 N17 78.35(13) . . ?
N10 Eu1 N17 145.82(14) . . ?
N12 Eu1 N17 82.52(14) . . ?
N5 Eu1 N17 83.64(15) . . ?
N19 Eu1 N18 64.51(13) . . ?
N3 Eu1 N18 134.84(13) . . ?
N10 Eu1 N18 135.48(13) . . ?
N12 Eu1 N18 72.14(13) . . ?
N5 Eu1 N18 74.23(14) . . ?
N17 Eu1 N18 63.90(13) . . ?
N19 Eu1 N11 73.67(13) . . ?
N3 Eu1 N11 73.20(13) . . ?
N10 Eu1 N11 63.48(13) . . ?
N12 Eu1 N11 63.71(13) . . ?
N5 Eu1 N11 137.42(14) . . ?
N17 Eu1 N11 138.85(14) . . ?
N18 Eu1 N11 120.73(12) . . ?
N19 Eu1 N4 136.69(14) . . ?
N3 Eu1 N4 63.02(13) . . ?
N10 Eu1 N4 72.67(13) . . ?
N12 Eu1 N4 138.49(13) . . ?
N5 Eu1 N4 64.17(13) . . ?
N17 Eu1 N4 73.37(13) . . ?
N18 Eu1 N4 122.50(12) . . ?
N11 Eu1 N4 116.77(12) . . ?
N2 N1 C10 112.0(4) . . ?
N2 N1 C9 119.2(4) . . ?
C10 N1 C9 128.8(4) . . ?
N3 N2 N1 106.5(4) . . ?
N2 N3 C11 110.4(4) . . ?
N2 N3 Eu1 127.6(3) . . ?
C11 N3 Eu1 121.7(3) . . ?
C12 N4 C18 118.7(4) . . ?
C12 N4 Eu1 121.9(3) . . ?
C18 N4 Eu1 119.4(3) . . ?
N6 N5 C19 110.0(4) . . ?
N6 N5 Eu1 129.4(4) . . ?
C19 N5 Eu1 120.1(3) . . ?
N5 N6 N7 105.4(5) . . ?
N6 N7 C20 112.8(5) . . ?
N6 N7 C21 118.9(6) . . ?
C20 N7 C21 127.8(6) . . ?
N9 N8 C39 112.1(5) . . ?
N9 N8 C38 118.7(5) . . ?
C39 N8 C38 129.2(5) . . ?
N10 N9 N8 106.3(4) . . ?
N9 N10 C40 109.5(4) . . ?
N9 N10 Eu1 129.0(3) . . ?
C40 N10 Eu1 121.4(3) . . ?
C41 N11 C47 118.4(4) . . ?
C41 N11 Eu1 120.9(3) . . ?
C47 N11 Eu1 120.6(3) . . ?
N13 N12 C48 109.6(4) . . ?
N13 N12 Eu1 129.4(3) . . ?
C48 N12 Eu1 120.8(3) . . ?
N12 N13 N14 106.4(4) . . ?
N13 N14 C49 111.8(4) . . ?
N13 N14 C50 119.1(4) . . ?
C49 N14 C50 129.0(5) . . ?
N16 N15 C68 112.2(4) . . ?
N16 N15 C67 119.2(5) . . ?
C68 N15 C67 128.5(5) . . ?
N17 N16 N15 106.1(4) . . ?
N16 N17 C69 109.7(4) . . ?
N16 N17 Eu1 129.9(3) . . ?
C69 N17 Eu1 120.4(3) . . ?
C70 N18 C76 118.6(4) . . ?
C70 N18 Eu1 121.0(3) . . ?
C76 N18 Eu1 120.2(3) . . ?
N20 N19 C77 110.0(4) . . ?
N20 N19 Eu1 129.8(3) . . ?
C77 N19 Eu1 120.1(3) . . ?
N19 N20 N21 106.2(4) . . ?
N20 N21 C78 112.3(4) . . ?
N20 N21 C79 119.3(4) . . ?
C78 N21 C79 128.2(5) . . ?
C2 O1 C1 115.7(5) . . ?
C15 O3 C16 115.5(6) . . ?
C28 O5 C29 115.3(13) . . ?
C31 O7 C30 112.9(8) . . ?
C44 O9 C45 114.9(4) . . ?
C57 O11 C58 115.0(5) . . ?
C60 O13 C59 116.0(8) . . ?
C73 O16 C74 116.0(5) . . ?
C87B O17 C86 124.4(19) . . ?
C86 O18 C87A 113.8(13) . . ?
F1 C88 F2 107.6(5) . . ?
F1 C88 F3 107.4(5) . . ?
F2 C88 F3 107.3(5) . . ?
F1 C88 S1 111.5(4) . . ?
F2 C88 S1 111.9(4) . . ?
F3 C88 S1 111.0(4) . . ?
O21 S1 O20 115.1(3) . . ?
O21 S1 O19 115.0(3) . . ?
O20 S1 O19 114.9(2) . . ?
O21 S1 C88 103.8(3) . . ?
O20 S1 C88 102.6(3) . . ?
O19 S1 C88 103.0(3) . . ?
C3A C2A H2A1 109.5 . . ?
C3A C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 109.5 . . ?
C3A C2A H2A3 109.5 . . ?
H2A1 C2A H2A3 109.5 . . ?
H2A2 C2A H2A3 109.5 . . ?
N1A C3A C2A 176.8(10) . . ?
C3B C2B H2B1 109.5 . . ?
C3B C2B H2B2 109.5 . . ?
H2B1 C2B H2B2 109.5 . . ?
C3B C2B H2B3 109.5 . . ?
H2B1 C2B H2B3 109.5 . . ?
H2B2 C2B H2B3 109.5 . . ?
N1B C3B C2B 166(3) . . ?
C3C C2C H2C1 109.5 . . ?
C3C C2C H2C2 109.5 . . ?
H2C1 C2C H2C2 109.5 . . ?
C3C C2C H2C3 109.5 . . ?
H2C1 C2C H2C3 109.5 . . ?
H2C2 C2C H2C3 109.5 . . ?
N1C C3C C2C 175(3) . . ?
C3D C2D H2D1 109.5 . . ?
C3D C2D H2D2 109.5 . . ?
H2D1 C2D H2D2 109.5 . . ?
C3D C2D H2D3 109.5 . . ?
H2D1 C2D H2D3 109.5 . . ?
H2D2 C2D H2D3 109.5 . . ?
N1D C3D C2D 147(6) . . ?
F5A C89A F4A 107.6 . . ?
F5A C89A F6A 107.9 . . ?
F4A C89A F6A 107.1 . . ?
F5A C89A S2A 111.7 . . ?
F4A C89A S2A 111.7 . . ?
F6A C89A S2A 110.6 . . ?
O24A S2A O22A 115.1 . . ?
O24A S2A O23A 115.1 . . ?
O22A S2A O23A 114.8 . . ?
O24A S2A C89A 103.9 . . ?
O22A S2A C89A 103.0 . . ?
O23A S2A C89A 102.4 . . ?
F6B C89B F4B 105.9 . . ?
F6B C89B F5B 110.6 . . ?
F4B C89B F5B 102.6 . . ?
F6B C89B S2B 113.6 . . ?
F4B C89B S2B 114.4 . . ?
F5B C89B S2B 109.1 . . ?
O22B S2B O24B 103.6 . . ?
O22B S2B O23B 110.0 . . ?
O24B S2B O23B 116.7 . . ?
O22B S2B C89B 115.0 . . ?
O24B S2B C89B 108.3 . . ?
O23B S2B C89B 103.7 . . ?
F8A C90A F7A 107.6 . . ?
F8A C90A F9A 107.8 . . ?
F7A C90A F9A 107.2 . . ?
F8A C90A S3A 111.6 . . ?
F7A C90A S3A 111.8 . . ?
F9A C90A S3A 110.6 . . ?
O27A S3A O26A 115.1 . . ?
O27A S3A O25A 115.2 . . ?
O26A S3A O25A 114.8 . . ?
O27A S3A C90A 103.9 . . ?
O26A S3A C90A 103.0 . . ?
O25A S3A C90A 102.4 . . ?
F8B C90B F7B 107.6 . . ?
F8B C90B F9B 107.9 . . ?
F7B C90B F9B 107.2 . . ?
F8B C90B S3B 111.6 . . ?
F7B C90B S3B 111.7 . . ?
F9B C90B S3B 110.6 . . ?
O27B S3B O26B 115.1 . . ?
O27B S3B O25B 115.1 . . ?
O26B S3B O25B 114.8 . . ?
O27B S3B C90B 103.9 . . ?
O26B S3B C90B 103.0 . . ?
O25B S3B C90B 102.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C2 C3 C8 1.4(10) . . . . ?
O1 C2 C3 C8 -177.4(6) . . . . ?
O2 C2 C3 C4 178.0(6) . . . . ?
O1 C2 C3 C4 -0.8(8) . . . . ?
C8 C3 C4 C5 1.1(9) . . . . ?
C2 C3 C4 C5 -175.5(5) . . . . ?
C3 C4 C5 C6 -1.2(9) . . . . ?
C4 C5 C6 C7 0.3(8) . . . . ?
C4 C5 C6 C9 177.1(5) . . . . ?
C5 C6 C7 C8 0.7(9) . . . . ?
C9 C6 C7 C8 -176.0(6) . . . . ?
C6 C7 C8 C3 -0.9(10) . . . . ?
C4 C3 C8 C7 0.0(10) . . . . ?
C2 C3 C8 C7 176.7(6) . . . . ?
C7 C6 C9 N1 -106.1(6) . . . . ?
C5 C6 C9 N1 77.2(6) . . . . ?
N1 C10 C11 N3 0.7(5) . . . . ?
N1 C10 C11 C12 -177.3(5) . . . . ?
N3 C11 C12 N4 -1.5(7) . . . . ?
C10 C11 C12 N4 176.3(5) . . . . ?
N3 C11 C12 C13 178.8(5) . . . . ?
C10 C11 C12 C13 -3.4(9) . . . . ?
N4 C12 C13 C14 0.4(8) . . . . ?
C11 C12 C13 C14 -179.9(5) . . . . ?
C12 C13 C14 C17 -0.2(8) . . . . ?
C12 C13 C14 C15 -178.4(5) . . . . ?
C13 C14 C15 O4 -6.6(9) . . . . ?
C17 C14 C15 O4 175.2(6) . . . . ?
C13 C14 C15 O3 172.4(5) . . . . ?
C17 C14 C15 O3 -5.9(8) . . . . ?
C13 C14 C17 C18 -0.3(8) . . . . ?
C15 C14 C17 C18 178.0(5) . . . . ?
C14 C17 C18 N4 0.5(8) . . . . ?
C14 C17 C18 C19 -177.5(5) . . . . ?
N4 C18 C19 C20 177.3(6) . . . . ?
C17 C18 C19 C20 -4.6(10) . . . . ?
N4 C18 C19 N5 -6.3(7) . . . . ?
C17 C18 C19 N5 171.8(5) . . . . ?
N5 C19 C20 N7 -0.3(6) . . . . ?
C18 C19 C20 N7 176.4(6) . . . . ?
N7 C21 C22 C23 83.0(9) . . . . ?
N7 C21 C22 C27 -92.1(8) . . . . ?
C27 C22 C23 C24 -0.6(12) . . . . ?
C21 C22 C23 C24 -175.8(7) . . . . ?
C22 C23 C24 C25 -0.4(13) . . . . ?
C23 C24 C25 C26 1.4(14) . . . . ?
C23 C24 C25 C28 -177.7(8) . . . . ?
C24 C25 C26 C27 -1.4(15) . . . . ?
C28 C25 C26 C27 177.7(8) . . . . ?
C25 C26 C27 C22 0.3(15) . . . . ?
C23 C22 C27 C26 0.7(13) . . . . ?
C21 C22 C27 C26 176.0(8) . . . . ?
C26 C25 C28 O5 180.0(10) . . . . ?
C24 C25 C28 O5 -0.9(12) . . . . ?
C26 C25 C28 O6 1.4(13) . . . . ?
C24 C25 C28 O6 -179.5(8) . . . . ?
O8 C31 C32 C37 -4.0(14) . . . . ?
O7 C31 C32 C37 178.7(7) . . . . ?
O8 C31 C32 C33 174.3(9) . . . . ?
O7 C31 C32 C33 -3.0(12) . . . . ?
C37 C32 C33 C34 -2.7(11) . . . . ?
C31 C32 C33 C34 179.0(7) . . . . ?
C32 C33 C34 C35 2.3(12) . . . . ?
C33 C34 C35 C36 -1.2(10) . . . . ?
C33 C34 C35 C38 177.8(6) . . . . ?
C34 C35 C36 C37 0.5(9) . . . . ?
C38 C35 C36 C37 -178.5(6) . . . . ?
C35 C36 C37 C32 -1.0(10) . . . . ?
C33 C32 C37 C36 2.1(11) . . . . ?
C31 C32 C37 C36 -179.5(7) . . . . ?
C34 C35 C38 N8 -94.8(7) . . . . ?
C36 C35 C38 N8 84.1(7) . . . . ?
N8 C39 C40 N10 0.3(6) . . . . ?
N8 C39 C40 C41 -179.2(6) . . . . ?
C39 C40 C41 N11 176.3(6) . . . . ?
N10 C40 C41 N11 -3.1(7) . . . . ?
C39 C40 C41 C42 -3.4(10) . . . . ?
N10 C40 C41 C42 177.2(5) . . . . ?
N11 C41 C42 C43 2.9(8) . . . . ?
C40 C41 C42 C43 -177.4(5) . . . . ?
C41 C42 C43 C46 -1.7(8) . . . . ?
C41 C42 C43 C44 179.8(5) . . . . ?
C46 C43 C44 O10 -155.3(7) . . . . ?
C42 C43 C44 O10 23.2(9) . . . . ?
C46 C43 C44 O9 22.8(7) . . . . ?
C42 C43 C44 O9 -158.7(5) . . . . ?
C42 C43 C46 C47 -1.5(7) . . . . ?
C44 C43 C46 C47 176.9(5) . . . . ?
C43 C46 C47 N11 3.8(7) . . . . ?
C43 C46 C47 C48 -174.8(4) . . . . ?
N11 C47 C48 N12 0.5(6) . . . . ?
C46 C47 C48 N12 179.2(4) . . . . ?
N11 C47 C48 C49 -177.6(5) . . . . ?
C46 C47 C48 C49 1.0(8) . . . . ?
N12 C48 C49 N14 0.0(5) . . . . ?
C47 C48 C49 N14 178.3(5) . . . . ?
N14 C50 C51 C56 96.1(6) . . . . ?
N14 C50 C51 C52 -84.3(6) . . . . ?
C56 C51 C52 C53 1.0(8) . . . . ?
C50 C51 C52 C53 -178.6(5) . . . . ?
C51 C52 C53 C54 0.6(8) . . . . ?
C52 C53 C54 C55 -2.0(8) . . . . ?
C52 C53 C54 C57 176.6(5) . . . . ?
C53 C54 C55 C56 1.8(9) . . . . ?
C57 C54 C55 C56 -176.7(5) . . . . ?
C54 C55 C56 C51 -0.2(9) . . . . ?
C52 C51 C56 C55 -1.2(8) . . . . ?
C50 C51 C56 C55 178.4(5) . . . . ?
C53 C54 C57 O12 -6.0(9) . . . . ?
C55 C54 C57 O12 172.5(6) . . . . ?
C53 C54 C57 O11 174.9(5) . . . . ?
C55 C54 C57 O11 -6.6(8) . . . . ?
O14 C60 C61 C62 -19.0(14) . . . . ?
O13 C60 C61 C62 156.7(8) . . . . ?
O14 C60 C61 C66 164.0(9) . . . . ?
O13 C60 C61 C66 -20.3(12) . . . . ?
C66 C61 C62 C63 7.5(12) . . . . ?
C60 C61 C62 C63 -169.4(7) . . . . ?
C61 C62 C63 C64 -5.7(10) . . . . ?
C62 C63 C64 C65 -1.0(9) . . . . ?
C62 C63 C64 C67 174.3(6) . . . . ?
C63 C64 C65 C66 5.7(11) . . . . ?
C67 C64 C65 C66 -169.6(7) . . . . ?
C64 C65 C66 C61 -4.0(13) . . . . ?
C62 C61 C66 C65 -2.8(14) . . . . ?
C60 C61 C66 C65 174.1(8) . . . . ?
C65 C64 C67 N15 64.0(8) . . . . ?
C63 C64 C67 N15 -111.0(6) . . . . ?
N15 C68 C69 N17 -0.2(6) . . . . ?
N15 C68 C69 C70 178.6(6) . . . . ?
N17 C69 C70 N18 1.9(7) . . . . ?
C68 C69 C70 N18 -176.9(6) . . . . ?
N17 C69 C70 C71 -177.3(5) . . . . ?
C68 C69 C70 C71 3.9(9) . . . . ?
N18 C70 C71 C72 -0.8(8) . . . . ?
C69 C70 C71 C72 178.3(5) . . . . ?
C70 C71 C72 C75 1.3(9) . . . . ?
C70 C71 C72 C73 -178.1(6) . . . . ?
C75 C72 C73 O15 179.7(7) . . . . ?
C71 C72 C73 O15 -0.9(11) . . . . ?
C75 C72 C73 O16 -1.2(9) . . . . ?
C71 C72 C73 O16 178.2(6) . . . . ?
C71 C72 C75 C76 -0.8(9) . . . . ?
C73 C72 C75 C76 178.5(6) . . . . ?
C72 C75 C76 N18 -0.3(8) . . . . ?
C72 C75 C76 C77 -178.7(5) . . . . ?
N18 C76 C77 N19 -0.5(7) . . . . ?
C75 C76 C77 N19 178.0(5) . . . . ?
N18 C76 C77 C78 -179.4(6) . . . . ?
C75 C76 C77 C78 -0.9(9) . . . . ?
N19 C77 C78 N21 0.6(6) . . . . ?
C76 C77 C78 N21 179.6(6) . . . . ?
N21 C79 C80 C81 -99.6(6) . . . . ?
N21 C79 C80 C85 80.4(6) . . . . ?
C85 C80 C81 C82 0.6(9) . . . . ?
C79 C80 C81 C82 -179.4(6) . . . . ?
C80 C81 C82 C83 0.4(10) . . . . ?
C81 C82 C83 C84 -1.5(10) . . . . ?
C81 C82 C83 C86 176.9(6) . . . . ?
C82 C83 C84 C85 1.6(10) . . . . ?
C86 C83 C84 C85 -176.8(6) . . . . ?
C81 C80 C85 C84 -0.5(8) . . . . ?
C79 C80 C85 C84 179.5(5) . . . . ?
C83 C84 C85 C80 -0.6(9) . . . . ?
C82 C83 C86 O17 8.9(11) . . . . ?
C84 C83 C86 O17 -172.8(8) . . . . ?
C82 C83 C86 O18 -171.5(7) . . . . ?
C84 C83 C86 O18 6.8(10) . . . . ?
C11 C10 N1 N2 -0.7(6) . . . . ?
C11 C10 N1 C9 177.3(5) . . . . ?
C6 C9 N1 N2 -78.1(6) . . . . ?
C6 C9 N1 C10 104.0(6) . . . . ?
C10 N1 N2 N3 0.3(6) . . . . ?
C9 N1 N2 N3 -177.9(4) . . . . ?
N1 N2 N3 C11 0.1(5) . . . . ?
N1 N2 N3 Eu1 174.3(3) . . . . ?
C10 C11 N3 N2 -0.5(5) . . . . ?
C12 C11 N3 N2 177.8(4) . . . . ?
C10 C11 N3 Eu1 -175.1(3) . . . . ?
C12 C11 N3 Eu1 3.2(6) . . . . ?
C13 C12 N4 C18 -0.2(7) . . . . ?
C11 C12 N4 C18 -179.9(4) . . . . ?
C13 C12 N4 Eu1 178.9(4) . . . . ?
C11 C12 N4 Eu1 -0.8(6) . . . . ?
C17 C18 N4 C12 -0.2(7) . . . . ?
C19 C18 N4 C12 177.9(4) . . . . ?
C17 C18 N4 Eu1 -179.4(4) . . . . ?
C19 C18 N4 Eu1 -1.3(6) . . . . ?
C20 C19 N5 N6 1.0(6) . . . . ?
C18 C19 N5 N6 -176.2(5) . . . . ?
C20 C19 N5 Eu1 -171.6(4) . . . . ?
C18 C19 N5 Eu1 11.2(6) . . . . ?
C19 N5 N6 N7 -1.3(6) . . . . ?
Eu1 N5 N6 N7 170.5(4) . . . . ?
N5 N6 N7 C20 1.1(7) . . . . ?
N5 N6 N7 C21 173.1(5) . . . . ?
C19 C20 N7 N6 -0.5(7) . . . . ?
C19 C20 N7 C21 -171.6(6) . . . . ?
C22 C21 N7 N6 -89.9(8) . . . . ?
C22 C21 N7 C20 80.8(9) . . . . ?
C40 C39 N8 N9 -0.2(7) . . . . ?
C40 C39 N8 C38 -178.9(6) . . . . ?
C35 C38 N8 N9 -67.3(7) . . . . ?
C35 C38 N8 C39 111.3(7) . . . . ?
C39 N8 N9 N10 0.1(6) . . . . ?
C38 N8 N9 N10 178.9(5) . . . . ?
N8 N9 N10 C40 0.1(6) . . . . ?
N8 N9 N10 Eu1 176.3(3) . . . . ?
C39 C40 N10 N9 -0.2(6) . . . . ?
C41 C40 N10 N9 179.3(5) . . . . ?
C39 C40 N10 Eu1 -176.7(4) . . . . ?
C41 C40 N10 Eu1 2.8(6) . . . . ?
C42 C41 N11 C47 -0.8(7) . . . . ?
C40 C41 N11 C47 179.5(4) . . . . ?
C42 C41 N11 Eu1 -178.3(4) . . . . ?
C40 C41 N11 Eu1 2.0(6) . . . . ?
C46 C47 N11 C41 -2.6(7) . . . . ?
C48 C47 N11 C41 176.1(4) . . . . ?
C46 C47 N11 Eu1 174.9(3) . . . . ?
C48 C47 N11 Eu1 -6.5(5) . . . . ?
C49 C48 N12 N13 0.2(5) . . . . ?
C47 C48 N12 N13 -178.4(4) . . . . ?
C49 C48 N12 Eu1 -175.5(3) . . . . ?
C47 C48 N12 Eu1 5.9(6) . . . . ?
C48 N12 N13 N14 -0.3(5) . . . . ?
Eu1 N12 N13 N14 174.9(3) . . . . ?
N12 N13 N14 C49 0.3(5) . . . . ?
N12 N13 N14 C50 177.9(4) . . . . ?
C48 C49 N14 N13 -0.2(5) . . . . ?
C48 C49 N14 C50 -177.5(5) . . . . ?
C51 C50 N14 N13 -78.0(6) . . . . ?
C51 C50 N14 C49 99.1(6) . . . . ?
C69 C68 N15 N16 0.5(6) . . . . ?
C69 C68 N15 C67 -175.9(5) . . . . ?
C64 C67 N15 N16 -78.6(7) . . . . ?
C64 C67 N15 C68 97.6(7) . . . . ?
C68 N15 N16 N17 -0.5(6) . . . . ?
C67 N15 N16 N17 176.3(5) . . . . ?
N15 N16 N17 C69 0.4(6) . . . . ?
N15 N16 N17 Eu1 179.7(3) . . . . ?
C68 C69 N17 N16 -0.1(6) . . . . ?
C70 C69 N17 N16 -179.1(5) . . . . ?
C68 C69 N17 Eu1 -179.5(3) . . . . ?
C70 C69 N17 Eu1 1.4(6) . . . . ?
C71 C70 N18 C76 -0.3(8) . . . . ?
C69 C70 N18 C76 -179.5(4) . . . . ?
C71 C70 N18 Eu1 174.9(4) . . . . ?
C69 C70 N18 Eu1 -4.2(6) . . . . ?
C75 C76 N18 C70 0.9(7) . . . . ?
C77 C76 N18 C70 179.4(4) . . . . ?
C75 C76 N18 Eu1 -174.4(4) . . . . ?
C77 C76 N18 Eu1 4.1(6) . . . . ?
C78 C77 N19 N20 -0.5(6) . . . . ?
C76 C77 N19 N20 -179.7(5) . . . . ?
C78 C77 N19 Eu1 175.7(3) . . . . ?
C76 C77 N19 Eu1 -3.5(6) . . . . ?
C77 N19 N20 N21 0.2(6) . . . . ?
Eu1 N19 N20 N21 -175.5(3) . . . . ?
N19 N20 N21 C78 0.2(6) . . . . ?
N19 N20 N21 C79 175.5(5) . . . . ?
C77 C78 N21 N20 -0.5(6) . . . . ?
C77 C78 N21 C79 -175.3(5) . . . . ?
C80 C79 N21 N20 -82.4(7) . . . . ?
C80 C79 N21 C78 92.1(7) . . . . ?
O2 C2 O1 C1 -0.9(10) . . . . ?
C3 C2 O1 C1 178.0(6) . . . . ?
O4 C15 O3 C16 -0.3(10) . . . . ?
C14 C15 O3 C16 -179.3(6) . . . . ?
O6 C28 O5 C29 -3.3(15) . . . . ?
C25 C28 O5 C29 178.2(7) . . . . ?
O8 C31 O7 C30 2.8(14) . . . . ?
C32 C31 O7 C30 -179.9(7) . . . . ?
O10 C44 O9 C45 -1.9(9) . . . . ?
C43 C44 O9 C45 -179.9(5) . . . . ?
O12 C57 O11 C58 -1.1(8) . . . . ?
C54 C57 O11 C58 178.0(5) . . . . ?
O14 C60 O13 C59 -5.3(15) . . . . ?
C61 C60 O13 C59 179.0(9) . . . . ?
O15 C73 O16 C74 -1.5(11) . . . . ?
C72 C73 O16 C74 179.3(5) . . . . ?
O18 C86 O17 C87B -9(2) . . . . ?
C83 C86 O17 C87B 170.4(19) . . . . ?
O17 C86 O18 C87A 0.5(14) . . . . ?
C83 C86 O18 C87A -179.2(10) . . . . ?
F1 C88 S1 O21 179.2(4) . . . . ?
F2 C88 S1 O21 58.6(5) . . . . ?
F3 C88 S1 O21 -61.1(5) . . . . ?
F1 C88 S1 O20 -60.7(4) . . . . ?
F2 C88 S1 O20 178.7(4) . . . . ?
F3 C88 S1 O20 59.0(5) . . . . ?
F1 C88 S1 O19 59.0(4) . . . . ?
F2 C88 S1 O19 -61.6(5) . . . . ?
F3 C88 S1 O19 178.6(4) . . . . ?
F5A C89A S2A O24A 179.2 . . . . ?
F4A C89A S2A O24A 58.6 . . . . ?
F6A C89A S2A O24A -60.7 . . . . ?
F5A C89A S2A O22A 58.8 . . . . ?
F4A C89A S2A O22A -61.8 . . . . ?
F6A C89A S2A O22A 178.9 . . . . ?
F5A C89A S2A O23A -60.6 . . . . ?
F4A C89A S2A O23A 178.8 . . . . ?
F6A C89A S2A O23A 59.5 . . . . ?
F6B C89B S2B O22B -177.2 . . . . ?
F4B C89B S2B O22B 61.1 . . . . ?
F5B C89B S2B O22B -53.2 . . . . ?
F6B C89B S2B O24B 67.5 . . . . ?
F4B C89B S2B O24B -54.2 . . . . ?
F5B C89B S2B O24B -168.5 . . . . ?
F6B C89B S2B O23B -57.0 . . . . ?
F4B C89B S2B O23B -178.8 . . . . ?
F5B C89B S2B O23B 66.9 . . . . ?
F8A C90A S3A O27A 179.2 . . . . ?
F7A C90A S3A O27A 58.6 . . . . ?
F9A C90A S3A O27A -60.7 . . . . ?
F8A C90A S3A O26A 58.9 . . . . ?
F7A C90A S3A O26A -61.7 . . . . ?
F9A C90A S3A O26A 178.9 . . . . ?
F8A C90A S3A O25A -60.6 . . . . ?
F7A C90A S3A O25A 178.8 . . . . ?
F9A C90A S3A O25A 59.5 . . . . ?
F8B C90B S3B O27B 179.2 . . . . ?
F7B C90B S3B O27B 58.6 . . . . ?
F9B C90B S3B O27B -60.7 . . . . ?
F8B C90B S3B O26B 58.8 . . . . ?
F7B C90B S3B O26B -61.8 . . . . ?
F9B C90B S3B O26B 178.9 . . . . ?
F8B C90B S3B O25B -60.6 . . . . ?
F7B C90B S3B O25B 178.8 . . . . ?
F9B C90B S3B O25B 59.5 . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C9 H9A O14 0.99 2.27 3.218(8) 161 2_666
C9 H9B O21 0.99 2.36 3.280(7) 154 2_666
C16 H16A O8 0.98 2.46 3.208(13) 133 .
C17 H17 O24B 0.95 2.53 3.428(6) 158 .
C20 H20 S2A 0.95 2.77 3.711(7) 173 .
C20 H20 O24B 0.95 2.49 3.381(8) 156 .
C38 H38A O27A 0.99 2.52 3.368(8) 143 1_454
C38 H38B O23A 0.99 2.59 3.527(9) 157 2_576
C39 H39 S3A 0.95 2.88 3.741(10) 151 1_454
C39 H39 O26A 0.95 2.49 3.221(10) 133 1_454
C39 H39 O27A 0.95 2.56 3.296(11) 134 1_454
C39 H39 O25B 0.95 2.22 3.129(7) 159 1_454
C42 H42 O25B 0.95 2.45 3.370(11) 163 1_454
C46 H46 O19 0.95 2.38 3.323(7) 173 1_554
C49 H49 O19 0.95 2.48 3.365(6) 155 1_554
C49 H49 O20 0.95 2.44 3.223(7) 140 1_554
C50 H50A O19 0.99 2.60 3.435(6) 143 2_666
C50 H50B O26B 0.99 2.45 3.417(7) 166 1_554
C59 H59B O23B 0.98 2.49 3.456(13) 167 .
C67 H67A O4 0.99 2.55 3.057(7) 112 2_666
C67 H67A O25A 0.99 2.59 3.140(8) 115 1_554
C74 H74B O20 0.98 2.57 3.428(8) 146 2_676
C78 H78 O2 0.95 2.41 3.216(7) 142 1_565
C87A H87B N1D 0.98 2.24 2.97(9) 130 2_666
C2A H2A1 O25A 0.98 1.94 2.829(13) 150 2_667
C2A H2A2 O21 0.98 2.29 3.064(12) 135 .
C2A H2A3 N13 0.98 2.55 3.344(12) 138 2_666
C2D H2D1 O26A 0.98 2.40 3.19(4) 138 .

_refine_diff_density_max         2.680
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.125

