# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2072867'
loop_
_audit_author_name
_audit_author_address
'Alexander Goloveshkin'
;Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences 
Russia
;
_audit_update_record             
;
2021-03-24 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;
_audit_creation_date             2020-12-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C42 H22 Eu F9 N4 O6 S3, C2 H3 N'
_chemical_formula_sum            'C44 H25 Eu F9 N5 O6 S3'
_chemical_formula_weight         1138.83
_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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.7467(3)
_cell_length_b                   20.2118(6)
_cell_length_c                   21.5322(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.444(2)
_cell_angle_gamma                90.00
_cell_volume                     4584.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      23.20
_cell_measurement_theta_min      2.18
_exptl_absorpt_coefficient_mu    1.595
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_unetI/netI     0.0664
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            55622
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.93
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_number_gt                7623
_reflns_number_total             11382
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         1.115
_refine_diff_density_min         -1.553
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         11382
_refine_ls_number_restraints     121
_refine_ls_R_factor_all          0.1334
_refine_ls_R_factor_gt           0.0906
_refine_ls_restrained_S_all      1.166
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0277P)²+29.3102P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1718
_refine_ls_wR_factor_ref         0.1869
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C19-F1
 1.55 with sigma of 0.01
 C42B-C40 = C42B-C39 = C42A-C39 = C42A-C41
 1.45 with sigma of 0.01
 S3B-C39 = S3B-C41 = S3A-C39 = S3A-C40
 1.7 with sigma of 0.01
 F7A-C35 = F8A-C35 = F9A-C35
 1.27 with sigma of 0.01
 F7B-C35 = F8B-C35 = F9B-C35
 1.27 with sigma of 0.01
3. Restrained planarity
 S3B, C42A, C39, C42B, C41, C40, S3A
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
C29 \\sim C28 \\sim C30: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C35: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
F8B \\sim F9A \\sim F9B \\sim F8A \\sim F7B \\sim F7A \\sim C35: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C2S) = Uanis(C3S) = Uanis(N1S)
Uanis(S3A) = Uanis(C42B) = Uanis(C39) = Uanis(S3B) = Uanis(C42A)
5. Others
 Sof(C42B)=Sof(H42B)=Sof(S3B)=Sof(H40)=Sof(H41)=1-FVAR(1)
 Sof(H40A)=Sof(H41A)=Sof(S3A)=Sof(C42A)=Sof(H42A)=FVAR(1)
 Sof(F9A)=Sof(F8A)=Sof(F7A)=1-FVAR(2)
 Sof(F7B)=Sof(F8B)=Sof(F9B)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C42B(H42B), C21(H21), C37(H37), C16(H16), C17(H17), C34(H34), C15(H15),
 C29(H29), C24(H24), C33(H33), C2(H2), C3(H3), C40(H40), C40(H40A), C8(H8),
 C11(H11), C10(H10), C9(H9), C26(H26), C41(H41), C41(H41A), C25(H25), C32(H32),
 C4(H4), C42A(H42A)
6.b Idealised Me refined as rotating group:
 C3S(H3SA,H3SB,H3SC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.93309(4) 0.19208(2) 0.24816(2) 0.05283(14) Uani 1 1 d . . .
S1 S 1.1484(3) 0.32023(18) 0.10049(19) 0.1059(11) Uani 1 1 d . . .
S2 S 1.3959(3) 0.26999(17) 0.29961(17) 0.0919(9) Uani 1 1 d . . .
O1 O 0.7494(6) 0.2578(3) 0.2136(3) 0.0673(17) Uani 1 1 d . . .
C42B C 0.6069(12) 0.0052(9) 0.3610(10) 0.0835(10) Uani 0.379(6) 1 d PD A 1
H42B H 0.6617 -0.0257 0.3838 0.100 Uiso 0.379(6) 1 calc PR A 1
O6 O 0.7770(6) 0.1225(3) 0.2773(3) 0.0616(16) Uani 1 1 d . . .
O5 O 1.0402(6) 0.1076(3) 0.3150(3) 0.0649(16) Uani 1 1 d . . .
O4 O 1.1297(5) 0.2403(3) 0.2953(3) 0.0618(16) Uani 1 1 d . . .
N1 N 1.0793(7) 0.1415(3) 0.1782(3) 0.0527(17) Uani 1 1 d . . .
S3B S 0.5256(6) 0.1023(3) 0.2914(3) 0.0835(10) Uani 0.379(6) 1 d PD A 1
C18 C 0.8934(8) 0.1207(4) 0.0990(4) 0.0489(19) Uani 1 1 d . . .
O3 O 0.9127(5) 0.2382(3) 0.3454(3) 0.0613(16) Uani 1 1 d . . .
O2 O 0.9766(6) 0.2712(3) 0.1749(3) 0.0604(15) Uani 1 1 d . . .
C39 C 0.6529(8) 0.0591(4) 0.3286(4) 0.0835(10) Uani 1 1 d D . .
C22 C 0.9139(9) 0.3033(5) 0.1294(4) 0.060(2) Uani 1 1 d . . .
N2 N 0.8243(6) 0.1348(3) 0.1441(3) 0.0520(17) Uani 1 1 d . . .
C21 C 0.7838(9) 0.3159(5) 0.1213(4) 0.066(2) Uani 1 1 d . . .
H21 H 0.7434 0.3402 0.0864 0.079 Uiso 1 1 calc R . .
C5 C 1.1081(9) 0.1077(4) 0.0747(4) 0.056(2) Uani 1 1 d . . .
C38 C 0.7762(8) 0.0814(4) 0.3214(4) 0.052(2) Uani 1 1 d . A .
C31 C 1.3238(9) 0.2606(4) 0.3632(5) 0.061(2) Uani 1 1 d . . .
C13 C 0.9138(10) 0.0862(4) -0.0094(4) 0.060(2) Uani 1 1 d . . .
C1 C 1.0316(8) 0.1243(4) 0.1176(4) 0.0500(19) Uani 1 1 d . . .
C36 C 1.0049(9) 0.0709(5) 0.3562(4) 0.065(2) Uani 1 1 d . A .
C37 C 0.8825(9) 0.0573(5) 0.3626(4) 0.067(3) Uani 1 1 d . . .
H37 H 0.8705 0.0306 0.3961 0.080 Uiso 1 1 calc R A .
N3 N 1.1246(8) 0.0754(4) -0.0308(4) 0.070(2) Uani 1 1 d . . .
C28 C 0.9932(9) 0.2498(5) 0.3948(4) 0.062(2) Uani 1 1 d U . .
C14 C 0.8367(8) 0.0998(4) 0.0381(4) 0.053(2) Uani 1 1 d . . .
C16 C 0.6385(9) 0.1044(5) 0.0701(5) 0.072(3) Uani 1 1 d . . .
H16 H 0.5511 0.0977 0.0622 0.086 Uiso 1 1 calc R . .
C6 C 1.0488(10) 0.0897(4) 0.0103(4) 0.060(2) Uani 1 1 d . . .
C17 C 0.7005(9) 0.1267(5) 0.1287(5) 0.067(2) Uani 1 1 d . . .
H17 H 0.6523 0.1367 0.1588 0.080 Uiso 1 1 calc R . .
C30 C 1.1862(8) 0.2498(4) 0.3520(4) 0.055(2) Uani 1 1 d U . .
C34 C 1.5402(11) 0.2734(6) 0.3477(7) 0.092(4) Uani 1 1 d . . .
H34 H 1.6156 0.2777 0.3330 0.111 Uiso 1 1 calc R . .
F4 F 0.8672(11) 0.3134(6) 0.4483(5) 0.170(4) Uani 1 1 d . . .
C15 C 0.7052(10) 0.0923(5) 0.0242(5) 0.071(3) Uani 1 1 d . . .
H15 H 0.6640 0.0791 -0.0160 0.086 Uiso 1 1 calc R . .
F1 F 0.5356(7) 0.3523(4) 0.1033(4) 0.129(3) Uani 1 1 d D . .
C12 C 0.9325(12) 0.0572(5) -0.1086(5) 0.072(3) Uani 1 1 d . . .
F2 F 0.4975(6) 0.2652(4) 0.1520(4) 0.125(3) Uani 1 1 d . . .
C27 C 0.9309(13) 0.2592(8) 0.4521(6) 0.096(4) Uani 1 1 d . . .
F6 F 1.0148(8) 0.2635(5) 0.5068(3) 0.137(3) Uani 1 1 d . . .
C29 C 1.1227(9) 0.2537(5) 0.4022(4) 0.067(2) Uani 1 1 d U . .
H29 H 1.1705 0.2592 0.4429 0.080 Uiso 1 1 calc R . .
F5 F 0.8559(9) 0.2114(5) 0.4585(4) 0.144(4) Uani 1 1 d . . .
C23 C 0.9887(10) 0.3318(5) 0.0857(4) 0.065(2) Uani 1 1 d . . .
C19 C 0.5764(11) 0.3117(6) 0.1604(5) 0.090(3) Uani 1 1 d D . .
N4 N 0.8583(8) 0.0708(4) -0.0666(4) 0.067(2) Uani 1 1 d . . .
C24 C 0.9470(12) 0.3697(5) 0.0303(4) 0.076(3) Uani 1 1 d . . .
H24 H 0.8632 0.3814 0.0142 0.091 Uiso 1 1 calc R . .
C7 C 1.0683(14) 0.0599(4) -0.0892(5) 0.079(3) Uani 1 1 d . . .
F3 F 0.5585(7) 0.3522(4) 0.2031(4) 0.134(3) Uani 1 1 d . . .
C20 C 0.7144(8) 0.2928(4) 0.1644(4) 0.056(2) Uani 1 1 d . . .
C33 C 1.5348(11) 0.2692(6) 0.4088(8) 0.099(4) Uani 1 1 d . . .
H33 H 1.6065 0.2713 0.4411 0.119 Uiso 1 1 calc R . .
C2 C 1.2057(9) 0.1427(5) 0.1962(5) 0.069(3) Uani 1 1 d . . .
H2 H 1.2411 0.1544 0.2377 0.082 Uiso 1 1 calc R . .
C3 C 1.2854(10) 0.1272(6) 0.1556(6) 0.082(3) Uani 1 1 d . . .
H3 H 1.3728 0.1285 0.1700 0.099 Uiso 1 1 calc R . .
C40 C 0.4718(7) 0.0015(6) 0.3564(5) 0.089(3) Uani 1 1 d D . .
H40 H 0.4267 -0.0292 0.3755 0.106 Uiso 0.379(6) 1 calc PR A 1
H40A H 0.4186 -0.0275 0.3723 0.106 Uiso 0.621(6) 1 calc PR A 2
C35 C 1.1158(11) 0.0384(7) 0.4039(5) 0.109(4) Uani 1 1 d DU . .
C8 C 1.1422(14) 0.0442(5) -0.1356(6) 0.093(4) Uani 1 1 d . . .
H8 H 1.2303 0.0448 -0.1245 0.112 Uiso 1 1 calc R . .
C11 C 0.8783(14) 0.0420(5) -0.1714(5) 0.096(4) Uani 1 1 d . . .
H11 H 0.7905 0.0421 -0.1847 0.115 Uiso 1 1 calc R . .
C10 C 0.9547(19) 0.0270(6) -0.2134(6) 0.115(5) Uani 1 1 d . . .
H10 H 0.9178 0.0157 -0.2549 0.137 Uiso 1 1 calc R . .
C9 C 1.0843(19) 0.0283(6) -0.1957(7) 0.112(6) Uani 1 1 d . . .
H9 H 1.1337 0.0181 -0.2253 0.135 Uiso 1 1 calc R . .
C26 C 1.1633(17) 0.3646(7) 0.0349(7) 0.119(5) Uani 1 1 d . . .
H26 H 1.2404 0.3723 0.0228 0.143 Uiso 1 1 calc R . .
C41 C 0.4264(10) 0.0511(6) 0.3193(6) 0.113(5) Uani 1 1 d D A .
H41 H 0.3392 0.0579 0.3085 0.135 Uiso 0.379(6) 1 calc PR A 1
H41A H 0.3410 0.0615 0.3062 0.135 Uiso 0.621(6) 1 calc PR A 2
C25 C 1.0519(18) 0.3873(8) 0.0030(7) 0.120(5) Uani 1 1 d . . .
H25 H 1.0440 0.4122 -0.0338 0.144 Uiso 1 1 calc R . .
C32 C 1.4116(9) 0.2614(5) 0.4204(5) 0.069(3) Uani 1 1 d . . .
H32 H 1.3916 0.2574 0.4603 0.083 Uiso 1 1 calc R . .
C4 C 1.2373(10) 0.1100(6) 0.0951(5) 0.077(3) Uani 1 1 d . . .
H4 H 1.2910 0.0999 0.0675 0.093 Uiso 1 1 calc R . .
C2S C 1.489(2) 0.0541(11) -0.1709(11) 0.169(4) Uani 1 1 d . . .
C3S C 1.4572(18) 0.1062(9) -0.2112(9) 0.169(4) Uani 1 1 d . . .
H3SA H 1.3817 0.0955 -0.2415 0.254 Uiso 1 1 calc R . .
H3SB H 1.5252 0.1151 -0.2329 0.254 Uiso 1 1 calc R . .
H3SC H 1.4420 0.1446 -0.1875 0.254 Uiso 1 1 calc R . .
N1S N 1.5102(17) 0.0145(8) -0.1378(9) 0.169(4) Uani 1 1 d . . .
S3A S 0.6300(4) -0.0071(2) 0.3737(3) 0.0835(10) Uani 0.621(6) 1 d PD A 2
C42A C 0.5308(9) 0.0866(6) 0.3024(4) 0.0835(10) Uani 0.621(6) 1 d PD A 2
H42A H 0.5200 0.1240 0.2767 0.100 Uiso 0.621(6) 1 calc PR A 2
F7B F 1.083(4) -0.0159(13) 0.4266(17) 0.133(6) Uani 0.305(12) 1 d PDU A 2
F9A F 1.2108(12) 0.0784(7) 0.4194(7) 0.133(5) Uani 0.695(12) 1 d PDU A 1
F8A F 1.1700(11) -0.0074(7) 0.3756(6) 0.125(4) Uani 0.695(12) 1 d PDU A 1
F8B F 1.126(3) 0.0746(14) 0.4543(10) 0.132(6) Uani 0.305(12) 1 d PDU A 2
F9B F 1.2232(18) 0.049(2) 0.3889(16) 0.125(6) Uani 0.305(12) 1 d PDU A 2
F7A F 1.0837(15) 0.0102(8) 0.4525(6) 0.127(5) Uani 0.695(12) 1 d PDU A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.373(7) . ?
Eu1 O6 2.368(6) . ?
Eu1 O5 2.378(6) . ?
Eu1 O4 2.366(6) . ?
Eu1 N1 2.593(7) . ?
Eu1 O3 2.341(6) . ?
Eu1 O2 2.358(6) . ?
Eu1 N2 2.587(7) . ?
S1 C23 1.699(10) . ?
S1 C26 1.707(14) . ?
S2 C31 1.712(10) . ?
S2 C34 1.686(12) . ?
O1 C20 1.268(10) . ?
C42B H42B 0.9300 . ?
C42B C39 1.433(10) . ?
C42B C40 1.438(10) . ?
O6 C38 1.262(10) . ?
O5 C36 1.270(10) . ?
O4 C30 1.265(10) . ?
N1 C1 1.350(10) . ?
N1 C2 1.336(11) . ?
S3B C39 1.686(8) . ?
S3B C41 1.680(8) . ?
C18 N2 1.365(10) . ?
C18 C1 1.461(11) . ?
C18 C14 1.397(11) . ?
O3 C28 1.253(10) . ?
O2 C22 1.253(10) . ?
C39 C38 1.437(11) . ?
C39 S3A 1.700(8) . ?
C39 C42A 1.434(10) . ?
C22 C21 1.398(13) . ?
C22 C23 1.472(13) . ?
N2 C17 1.316(11) . ?
C21 H21 0.9300 . ?
C21 C20 1.382(12) . ?
C5 C1 1.394(11) . ?
C5 C6 1.453(12) . ?
C5 C4 1.371(13) . ?
C38 C37 1.388(12) . ?
C31 C30 1.467(12) . ?
C31 C32 1.395(13) . ?
C13 C14 1.464(12) . ?
C13 C6 1.430(13) . ?
C13 N4 1.296(11) . ?
C36 C37 1.378(12) . ?
C36 C35 1.556(15) . ?
C37 H37 0.9300 . ?
N3 C6 1.347(11) . ?
N3 C7 1.321(13) . ?
C28 C27 1.527(15) . ?
C28 C29 1.371(13) . ?
C14 C15 1.393(12) . ?
C16 H16 0.9300 . ?
C16 C17 1.380(13) . ?
C16 C15 1.354(13) . ?
C17 H17 0.9300 . ?
C30 C29 1.390(12) . ?
C34 H34 0.9300 . ?
C34 C33 1.332(17) . ?
F4 C27 1.286(16) . ?
C15 H15 0.9300 . ?
F1 C19 1.471(8) . ?
C12 N4 1.348(12) . ?
C12 C7 1.436(16) . ?
C12 C11 1.396(15) . ?
F2 C19 1.255(14) . ?
C27 F6 1.337(13) . ?
C27 F5 1.284(14) . ?
C29 H29 0.9300 . ?
C23 C24 1.412(13) . ?
C19 F3 1.273(13) . ?
C19 C20 1.517(14) . ?
C24 H24 0.9300 . ?
C24 C25 1.416(17) . ?
C7 C8 1.429(14) . ?
C33 H33 0.9300 . ?
C33 C32 1.404(15) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(13) . ?
C3 H3 0.9300 . ?
C3 C4 1.349(14) . ?
C40 H40 0.9300 . ?
C40 H40A 0.9300 . ?
C40 C41 1.314(14) . ?
C40 S3A 1.676(8) . ?
C35 F7B 1.277(10) . ?
C35 F9A 1.294(9) . ?
C35 F8A 1.307(9) . ?
C35 F8B 1.294(10) . ?
C35 F9B 1.279(10) . ?
C35 F7A 1.296(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.358(18) . ?
C11 H11 0.9300 . ?
C11 C10 1.372(17) . ?
C10 H10 0.9300 . ?
C10 C9 1.37(2) . ?
C9 H9 0.9300 . ?
C26 H26 0.9300 . ?
C26 C25 1.337(19) . ?
C41 H41 0.9300 . ?
C41 H41A 0.9300 . ?
C41 C42A 1.438(9) . ?
C25 H25 0.9300 . ?
C32 H32 0.9300 . ?
C4 H4 0.9300 . ?
C2S C3S 1.36(2) . ?
C2S N1S 1.06(2) . ?
C3S H3SA 0.9600 . ?
C3S H3SB 0.9600 . ?
C3S H3SC 0.9600 . ?
C42A H42A 0.9300 . ?

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 Eu1 O5 149.8(2) . . ?
O1 Eu1 N1 126.9(2) . . ?
O1 Eu1 N2 76.9(2) . . ?
O6 Eu1 O1 80.0(2) . . ?
O6 Eu1 O5 72.3(2) . . ?
O6 Eu1 N1 117.6(2) . . ?
O6 Eu1 N2 75.0(2) . . ?
O5 Eu1 N1 78.0(2) . . ?
O5 Eu1 N2 106.5(2) . . ?
O4 Eu1 O1 121.4(2) . . ?
O4 Eu1 O6 138.6(2) . . ?
O4 Eu1 O5 75.7(2) . . ?
O4 Eu1 N1 79.6(2) . . ?
O4 Eu1 N2 140.2(2) . . ?
O3 Eu1 O1 80.7(2) . . ?
O3 Eu1 O6 78.6(2) . . ?
O3 Eu1 O5 82.2(2) . . ?
O3 Eu1 O4 71.7(2) . . ?
O3 Eu1 N1 148.4(2) . . ?
O3 Eu1 O2 113.2(2) . . ?
O3 Eu1 N2 147.8(2) . . ?
O2 Eu1 O1 70.9(2) . . ?
O2 Eu1 O6 145.7(2) . . ?
O2 Eu1 O5 139.1(2) . . ?
O2 Eu1 O4 74.3(2) . . ?
O2 Eu1 N1 69.8(2) . . ?
O2 Eu1 N2 80.8(2) . . ?
N2 Eu1 N1 62.8(2) . . ?
C23 S1 C26 91.7(7) . . ?
C34 S2 C31 91.2(6) . . ?
C20 O1 Eu1 131.7(6) . . ?
C39 C42B H42B 121.7 . . ?
C39 C42B C40 116.7(13) . . ?
C40 C42B H42B 121.7 . . ?
C38 O6 Eu1 134.5(5) . . ?
C36 O5 Eu1 131.8(6) . . ?
C30 O4 Eu1 133.9(5) . . ?
C1 N1 Eu1 120.4(5) . . ?
C2 N1 Eu1 121.6(6) . . ?
C2 N1 C1 117.0(8) . . ?
C41 S3B C39 91.3(6) . . ?
N2 C18 C1 117.5(7) . . ?
N2 C18 C14 122.2(8) . . ?
C14 C18 C1 120.2(7) . . ?
C28 O3 Eu1 131.5(6) . . ?
C22 O2 Eu1 136.6(6) . . ?
C42B C39 S3B 107.4(8) . . ?
C42B C39 C38 134.9(9) . . ?
C42B C39 S3A 11.7(6) . . ?
C42B C39 C42A 96.2(10) . . ?
S3B C39 S3A 118.9(6) . . ?
C38 C39 S3B 117.8(6) . . ?
C38 C39 S3A 123.3(6) . . ?
C42A C39 S3B 11.1(5) . . ?
C42A C39 C38 128.9(8) . . ?
C42A C39 S3A 107.7(8) . . ?
O2 C22 C21 124.1(9) . . ?
O2 C22 C23 115.2(8) . . ?
C21 C22 C23 120.6(9) . . ?
C18 N2 Eu1 119.6(5) . . ?
C17 N2 Eu1 122.3(6) . . ?
C17 N2 C18 117.4(8) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 C22 121.0(9) . . ?
C20 C21 H21 119.5 . . ?
C1 C5 C6 119.2(8) . . ?
C4 C5 C1 118.2(9) . . ?
C4 C5 C6 122.6(9) . . ?
O6 C38 C39 115.5(8) . . ?
O6 C38 C37 125.8(8) . . ?
C37 C38 C39 118.7(8) . . ?
C30 C31 S2 119.2(7) . . ?
C32 C31 S2 111.7(7) . . ?
C32 C31 C30 129.0(9) . . ?
C6 C13 C14 117.7(8) . . ?
N4 C13 C14 119.5(9) . . ?
N4 C13 C6 122.8(9) . . ?
N1 C1 C18 116.6(7) . . ?
N1 C1 C5 122.8(8) . . ?
C5 C1 C18 120.5(8) . . ?
O5 C36 C37 127.6(9) . . ?
O5 C36 C35 114.4(8) . . ?
C37 C36 C35 118.0(8) . . ?
C38 C37 H37 118.4 . . ?
C36 C37 C38 123.1(8) . . ?
C36 C37 H37 118.4 . . ?
C7 N3 C6 117.0(10) . . ?
O3 C28 C27 111.7(9) . . ?
O3 C28 C29 128.5(9) . . ?
C29 C28 C27 119.8(9) . . ?
C18 C14 C13 120.7(8) . . ?
C15 C14 C18 118.0(8) . . ?
C15 C14 C13 121.3(9) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.7(9) . . ?
C13 C6 C5 121.5(8) . . ?
N3 C6 C5 118.2(9) . . ?
N3 C6 C13 120.3(9) . . ?
N2 C17 C16 123.5(9) . . ?
N2 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
O4 C30 C31 117.1(8) . . ?
O4 C30 C29 122.9(8) . . ?
C29 C30 C31 119.9(8) . . ?
S2 C34 H34 123.5 . . ?
C33 C34 S2 112.9(10) . . ?
C33 C34 H34 123.5 . . ?
C14 C15 H15 120.5 . . ?
C16 C15 C14 119.0(9) . . ?
C16 C15 H15 120.5 . . ?
N4 C12 C7 120.0(9) . . ?
N4 C12 C11 120.4(12) . . ?
C11 C12 C7 119.7(11) . . ?
F4 C27 C28 111.6(11) . . ?
F4 C27 F6 104.9(12) . . ?
F6 C27 C28 113.1(11) . . ?
F5 C27 C28 112.2(11) . . ?
F5 C27 F4 108.1(13) . . ?
F5 C27 F6 106.3(12) . . ?
C28 C29 C30 123.4(9) . . ?
C28 C29 H29 118.3 . . ?
C30 C29 H29 118.3 . . ?
C22 C23 S1 119.0(7) . . ?
C24 C23 S1 111.9(8) . . ?
C24 C23 C22 129.1(10) . . ?
F1 C19 C20 108.2(9) . . ?
F2 C19 F1 102.5(9) . . ?
F2 C19 F3 113.0(12) . . ?
F2 C19 C20 116.3(10) . . ?
F3 C19 F1 100.6(9) . . ?
F3 C19 C20 114.0(10) . . ?
C13 N4 C12 117.7(10) . . ?
C23 C24 H24 125.0 . . ?
C23 C24 C25 109.9(11) . . ?
C25 C24 H24 125.0 . . ?
N3 C7 C12 122.2(9) . . ?
N3 C7 C8 120.3(13) . . ?
C8 C7 C12 117.5(11) . . ?
O1 C20 C21 129.7(9) . . ?
O1 C20 C19 108.2(8) . . ?
C21 C20 C19 122.0(9) . . ?
C34 C33 H33 122.9 . . ?
C34 C33 C32 114.2(12) . . ?
C32 C33 H33 122.9 . . ?
N1 C2 H2 118.8 . . ?
N1 C2 C3 122.5(9) . . ?
C3 C2 H2 118.8 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(10) . . ?
C4 C3 H3 119.8 . . ?
C42B C40 H40 127.8 . . ?
C42B C40 H40A 134.0 . . ?
C42B C40 S3A 12.5(6) . . ?
H40 C40 H40A 6.4 . . ?
C41 C40 C42B 104.4(11) . . ?
C41 C40 H40 127.8 . . ?
C41 C40 H40A 121.6 . . ?
C41 C40 S3A 116.8(8) . . ?
S3A C40 H40 115.4 . . ?
S3A C40 H40A 121.6 . . ?
F7B C35 C36 113(2) . . ?
F7B C35 F9A 134(2) . . ?
F7B C35 F8A 76(2) . . ?
F7B C35 F8B 99(2) . . ?
F7B C35 F9B 125(3) . . ?
F7B C35 F7A 34.6(18) . . ?
F9A C35 C36 111.5(11) . . ?
F9A C35 F8A 99.2(13) . . ?
F9A C35 F7A 113.0(14) . . ?
F8A C35 C36 110.1(10) . . ?
F8B C35 C36 104.0(15) . . ?
F8B C35 F9A 59.8(16) . . ?
F8B C35 F8A 144.9(17) . . ?
F8B C35 F7A 64.3(15) . . ?
F9B C35 C36 111.7(16) . . ?
F9B C35 F9A 41.5(18) . . ?
F9B C35 F8A 59.7(19) . . ?
F9B C35 F8B 100(2) . . ?
F9B C35 F7A 132.7(19) . . ?
F7A C35 C36 115.3(11) . . ?
F7A C35 F8A 106.3(14) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(14) . . ?
C9 C8 H8 119.8 . . ?
C12 C11 H11 120.1 . . ?
C10 C11 C12 119.9(15) . . ?
C10 C11 H11 120.1 . . ?
C11 C10 H10 119.3 . . ?
C9 C10 C11 121.3(14) . . ?
C9 C10 H10 119.3 . . ?
C8 C9 C10 121.2(13) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
S1 C26 H26 123.7 . . ?
C25 C26 S1 112.6(11) . . ?
C25 C26 H26 123.7 . . ?
S3B C41 H41 119.9 . . ?
S3B C41 H41A 114.2 . . ?
C40 C41 S3B 120.2(9) . . ?
C40 C41 H41 119.9 . . ?
C40 C41 H41A 125.6 . . ?
C40 C41 C42A 108.7(11) . . ?
H41 C41 H41A 5.7 . . ?
C42A C41 S3B 11.4(6) . . ?
C42A C41 H41 131.3 . . ?
C42A C41 H41A 125.6 . . ?
C24 C25 H25 123.0 . . ?
C26 C25 C24 114.0(13) . . ?
C26 C25 H25 123.0 . . ?
C31 C32 C33 110.0(11) . . ?
C31 C32 H32 125.0 . . ?
C33 C32 H32 125.0 . . ?
C5 C4 H4 120.4 . . ?
C3 C4 C5 119.2(10) . . ?
C3 C4 H4 120.4 . . ?
N1S C2S C3S 176(3) . . ?
C2S C3S H3SA 109.5 . . ?
C2S C3S H3SB 109.5 . . ?
C2S C3S H3SC 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
C40 S3A C39 92.7(5) . . ?
C39 C42A C41 113.9(12) . . ?
C39 C42A H42A 123.0 . . ?
C41 C42A H42A 123.0 . . ?

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
Eu1 O1 C20 C21 -15.9(14) . . . . ?
Eu1 O1 C20 C19 168.0(7) . . . . ?
Eu1 O6 C38 C39 168.1(6) . . . . ?
Eu1 O6 C38 C37 -11.2(14) . . . . ?
Eu1 O5 C36 C37 19.0(16) . . . . ?
Eu1 O5 C36 C35 -161.2(7) . . . . ?
Eu1 O4 C30 C31 159.7(6) . . . . ?
Eu1 O4 C30 C29 -23.7(13) . . . . ?
Eu1 N1 C1 C18 -14.1(9) . . . . ?
Eu1 N1 C1 C5 168.6(6) . . . . ?
Eu1 N1 C2 C3 -168.1(8) . . . . ?
Eu1 O3 C28 C27 -161.6(8) . . . . ?
Eu1 O3 C28 C29 17.5(15) . . . . ?
Eu1 O2 C22 C21 22.3(14) . . . . ?
Eu1 O2 C22 C23 -161.9(6) . . . . ?
Eu1 N2 C17 C16 171.1(8) . . . . ?
S1 C23 C24 C25 0.0(12) . . . . ?
S1 C26 C25 C24 0.1(19) . . . . ?
S2 C31 C30 O4 8.0(11) . . . . ?
S2 C31 C30 C29 -168.7(7) . . . . ?
S2 C31 C32 C33 -0.5(11) . . . . ?
S2 C34 C33 C32 1.4(15) . . . . ?
O1 Eu1 O6 C38 -148.1(8) . . . . ?
O1 Eu1 O5 C36 1.6(11) . . . . ?
O1 Eu1 O4 C30 96.2(8) . . . . ?
O1 Eu1 N1 C1 -30.3(7) . . . . ?
O1 Eu1 N1 C2 137.3(6) . . . . ?
O1 Eu1 O3 C28 -153.3(8) . . . . ?
O1 Eu1 O2 C22 -26.4(8) . . . . ?
O1 Eu1 N2 C18 129.7(6) . . . . ?
O1 Eu1 N2 C17 -40.5(7) . . . . ?
C42B C39 C38 O6 164.5(14) . . . . ?
C42B C39 C38 C37 -16.2(19) . . . . ?
C42B C39 S3A C40 -8(5) . . . . ?
C42B C39 C42A C41 0.4(11) . . . . ?
C42B C40 C41 S3B -1.8(16) . . . . ?
C42B C40 C41 C42A -1.7(15) . . . . ?
C42B C40 S3A C39 8(4) . . . . ?
O6 Eu1 O1 C20 -139.7(8) . . . . ?
O6 Eu1 O5 C36 -22.9(8) . . . . ?
O6 Eu1 O4 C30 -16.5(10) . . . . ?
O6 Eu1 N1 C1 68.2(6) . . . . ?
O6 Eu1 N1 C2 -124.2(7) . . . . ?
O6 Eu1 O3 C28 125.1(8) . . . . ?
O6 Eu1 O2 C22 7.5(10) . . . . ?
O6 Eu1 N2 C18 -147.3(6) . . . . ?
O6 Eu1 N2 C17 42.5(7) . . . . ?
O6 C38 C37 C36 -6.6(16) . . . . ?
O5 Eu1 O1 C20 -163.3(7) . . . . ?
O5 Eu1 O6 C38 19.7(7) . . . . ?
O5 Eu1 O4 C30 -56.6(8) . . . . ?
O5 Eu1 N1 C1 130.7(6) . . . . ?
O5 Eu1 N1 C2 -61.7(7) . . . . ?
O5 Eu1 O3 C28 51.7(8) . . . . ?
O5 Eu1 O2 C22 157.4(8) . . . . ?
O5 Eu1 N2 C18 -81.4(6) . . . . ?
O5 Eu1 N2 C17 108.4(7) . . . . ?
O5 C36 C37 C38 2.3(18) . . . . ?
O5 C36 C35 F7B -153(2) . . . . ?
O5 C36 C35 F9A 38.1(16) . . . . ?
O5 C36 C35 F8A -71.0(13) . . . . ?
O5 C36 C35 F8B 100.8(19) . . . . ?
O5 C36 C35 F9B -7(3) . . . . ?
O5 C36 C35 F7A 168.8(13) . . . . ?
O4 Eu1 O1 C20 78.6(8) . . . . ?
O4 Eu1 O6 C38 -21.2(9) . . . . ?
O4 Eu1 O5 C36 130.6(8) . . . . ?
O4 Eu1 N1 C1 -151.9(6) . . . . ?
O4 Eu1 N1 C2 15.7(7) . . . . ?
O4 Eu1 O3 C28 -25.7(8) . . . . ?
O4 Eu1 O2 C22 -158.4(9) . . . . ?
O4 Eu1 N2 C18 5.8(8) . . . . ?
O4 Eu1 N2 C17 -164.3(6) . . . . ?
O4 C30 C29 C28 -2.2(15) . . . . ?
N1 Eu1 O1 C20 -22.6(9) . . . . ?
N1 Eu1 O6 C38 85.3(8) . . . . ?
N1 Eu1 O5 C36 -147.3(8) . . . . ?
N1 Eu1 O4 C30 -136.7(8) . . . . ?
N1 Eu1 O3 C28 0.2(10) . . . . ?
N1 Eu1 O2 C22 117.1(9) . . . . ?
N1 Eu1 N2 C18 -14.8(5) . . . . ?
N1 Eu1 N2 C17 175.1(7) . . . . ?
N1 C2 C3 C4 0.1(18) . . . . ?
S3B C39 C38 O6 -14.6(12) . . . . ?
S3B C39 C38 C37 164.8(8) . . . . ?
S3B C39 S3A C40 1.6(8) . . . . ?
S3B C39 C42A C41 180(100) . . . . ?
S3B C41 C42A C39 -180(100) . . . . ?
C18 N2 C17 C16 0.8(14) . . . . ?
C18 C14 C15 C16 -1.0(14) . . . . ?
O3 Eu1 O1 C20 140.4(8) . . . . ?
O3 Eu1 O6 C38 -65.7(8) . . . . ?
O3 Eu1 O5 C36 57.6(8) . . . . ?
O3 Eu1 O4 C30 29.9(8) . . . . ?
O3 Eu1 N1 C1 -176.8(5) . . . . ?
O3 Eu1 N1 C2 -9.2(9) . . . . ?
O3 Eu1 O2 C22 -96.9(8) . . . . ?
O3 Eu1 N2 C18 176.8(5) . . . . ?
O3 Eu1 N2 C17 6.6(9) . . . . ?
O3 C28 C27 F4 -69.7(14) . . . . ?
O3 C28 C27 F6 172.2(11) . . . . ?
O3 C28 C27 F5 51.9(15) . . . . ?
O3 C28 C29 C30 5.1(17) . . . . ?
O2 Eu1 O1 C20 21.7(7) . . . . ?
O2 Eu1 O6 C38 179.5(7) . . . . ?
O2 Eu1 O5 C36 174.4(7) . . . . ?
O2 Eu1 O4 C30 151.5(8) . . . . ?
O2 Eu1 N1 C1 -74.9(6) . . . . ?
O2 Eu1 N1 C2 92.6(7) . . . . ?
O2 Eu1 O3 C28 -88.8(8) . . . . ?
O2 Eu1 N2 C18 57.2(6) . . . . ?
O2 Eu1 N2 C17 -112.9(7) . . . . ?
O2 C22 C21 C20 -0.2(15) . . . . ?
O2 C22 C23 S1 -0.8(12) . . . . ?
O2 C22 C23 C24 179.6(9) . . . . ?
C39 C42B C40 C41 2.2(19) . . . . ?
C39 C42B C40 S3A -170(6) . . . . ?
C39 S3B C41 C40 0.8(11) . . . . ?
C39 S3B C41 C42A 0.4(5) . . . . ?
C39 C38 C37 C36 174.1(10) . . . . ?
C22 C21 C20 O1 -2.1(16) . . . . ?
C22 C21 C20 C19 173.6(9) . . . . ?
C22 C23 C24 C25 179.7(11) . . . . ?
N2 Eu1 O1 C20 -62.9(7) . . . . ?
N2 Eu1 O6 C38 132.9(8) . . . . ?
N2 Eu1 O5 C36 -90.7(8) . . . . ?
N2 Eu1 O4 C30 -155.2(7) . . . . ?
N2 Eu1 N1 C1 14.9(5) . . . . ?
N2 Eu1 N1 C2 -177.5(7) . . . . ?
N2 Eu1 O3 C28 160.4(7) . . . . ?
N2 Eu1 O2 C22 52.9(8) . . . . ?
N2 C18 C1 N1 -0.2(11) . . . . ?
N2 C18 C1 C5 177.1(7) . . . . ?
N2 C18 C14 C13 179.0(7) . . . . ?
N2 C18 C14 C15 -1.0(12) . . . . ?
C21 C22 C23 S1 175.2(7) . . . . ?
C21 C22 C23 C24 -4.4(16) . . . . ?
C38 C39 S3A C40 -179.8(9) . . . . ?
C38 C39 C42A C41 179.7(11) . . . . ?
C31 S2 C34 C33 -1.4(10) . . . . ?
C31 C30 C29 C28 174.3(9) . . . . ?
C13 C14 C15 C16 179.0(9) . . . . ?
C1 N1 C2 C3 -0.1(14) . . . . ?
C1 C18 N2 Eu1 14.3(9) . . . . ?
C1 C18 N2 C17 -175.0(8) . . . . ?
C1 C18 C14 C13 -5.0(12) . . . . ?
C1 C18 C14 C15 175.1(8) . . . . ?
C1 C5 C6 C13 -2.4(12) . . . . ?
C1 C5 C6 N3 178.5(8) . . . . ?
C1 C5 C4 C3 0.9(15) . . . . ?
C37 C36 C35 F7B 26(3) . . . . ?
C37 C36 C35 F9A -142.1(13) . . . . ?
C37 C36 C35 F8A 108.8(12) . . . . ?
C37 C36 C35 F8B -79(2) . . . . ?
C37 C36 C35 F9B 173(2) . . . . ?
C37 C36 C35 F7A -11.5(19) . . . . ?
N3 C7 C8 C9 -179.9(10) . . . . ?
C14 C18 N2 Eu1 -169.5(6) . . . . ?
C14 C18 N2 C17 1.1(12) . . . . ?
C14 C18 C1 N1 -176.5(7) . . . . ?
C14 C18 C1 C5 0.9(12) . . . . ?
C14 C13 C6 C5 -1.5(12) . . . . ?
C14 C13 C6 N3 177.6(7) . . . . ?
C14 C13 N4 C12 -178.5(8) . . . . ?
C6 C5 C1 N1 180.0(7) . . . . ?
C6 C5 C1 C18 2.8(12) . . . . ?
C6 C5 C4 C3 180.0(10) . . . . ?
C6 C13 C14 C18 5.2(12) . . . . ?
C6 C13 C14 C15 -174.8(8) . . . . ?
C6 C13 N4 C12 0.4(13) . . . . ?
C6 N3 C7 C12 -1.0(13) . . . . ?
C6 N3 C7 C8 179.9(8) . . . . ?
C17 C16 C15 C14 2.9(16) . . . . ?
C30 C31 C32 C33 176.1(9) . . . . ?
C34 S2 C31 C30 -175.9(8) . . . . ?
C34 S2 C31 C32 1.0(8) . . . . ?
C34 C33 C32 C31 -0.6(15) . . . . ?
C15 C16 C17 N2 -2.8(16) . . . . ?
F1 C19 C20 O1 -179.8(9) . . . . ?
F1 C19 C20 C21 3.6(14) . . . . ?
C12 C7 C8 C9 1.0(15) . . . . ?
C12 C11 C10 C9 -2(2) . . . . ?
F2 C19 C20 O1 -65.2(12) . . . . ?
F2 C19 C20 C21 118.3(11) . . . . ?
C27 C28 C29 C30 -175.8(11) . . . . ?
C29 C28 C27 F4 111.1(13) . . . . ?
C29 C28 C27 F6 -7.0(18) . . . . ?
C29 C28 C27 F5 -127.4(12) . . . . ?
C23 S1 C26 C25 -0.1(13) . . . . ?
C23 C22 C21 C20 -175.8(8) . . . . ?
C23 C24 C25 C26 -0.1(18) . . . . ?
N4 C13 C14 C18 -175.8(8) . . . . ?
N4 C13 C14 C15 4.2(13) . . . . ?
N4 C13 C6 C5 179.5(8) . . . . ?
N4 C13 C6 N3 -1.4(13) . . . . ?
N4 C12 C7 N3 0.1(14) . . . . ?
N4 C12 C7 C8 179.2(8) . . . . ?
N4 C12 C11 C10 -178.8(10) . . . . ?
C7 N3 C6 C5 -179.3(8) . . . . ?
C7 N3 C6 C13 1.6(12) . . . . ?
C7 C12 N4 C13 0.2(13) . . . . ?
C7 C12 C11 C10 2.9(16) . . . . ?
C7 C8 C9 C10 0.0(19) . . . . ?
F3 C19 C20 O1 69.1(12) . . . . ?
F3 C19 C20 C21 -107.4(11) . . . . ?
C2 N1 C1 C18 177.8(8) . . . . ?
C2 N1 C1 C5 0.5(12) . . . . ?
C2 C3 C4 C5 -0.6(18) . . . . ?
C40 C42B C39 S3B -1.7(17) . . . . ?
C40 C42B C39 C38 179.2(13) . . . . ?
C40 C42B C39 S3A 169(6) . . . . ?
C40 C42B C39 C42A -1.5(16) . . . . ?
C40 C41 C42A C39 0.9(12) . . . . ?
C35 C36 C37 C38 -177.4(10) . . . . ?
C11 C12 N4 C13 -178.2(9) . . . . ?
C11 C12 C7 N3 178.5(9) . . . . ?
C11 C12 C7 C8 -2.4(14) . . . . ?
C11 C10 C9 C8 0(2) . . . . ?
C26 S1 C23 C22 -179.7(9) . . . . ?
C26 S1 C23 C24 0.1(9) . . . . ?
C41 S3B C39 C42B 0.5(10) . . . . ?
C41 S3B C39 C38 179.8(10) . . . . ?
C41 S3B C39 S3A -1.5(8) . . . . ?
C41 S3B C39 C42A -0.4(6) . . . . ?
C41 C40 S3A C39 -1.0(11) . . . . ?
C32 C31 C30 O4 -168.4(9) . . . . ?
C32 C31 C30 C29 14.9(15) . . . . ?
C4 C5 C1 N1 -0.9(13) . . . . ?
C4 C5 C1 C18 -178.1(8) . . . . ?
C4 C5 C6 C13 178.5(9) . . . . ?
C4 C5 C6 N3 -0.6(13) . . . . ?
S3A C39 C38 O6 166.8(7) . . . . ?
S3A C39 C38 C37 -13.8(13) . . . . ?
S3A C39 C42A C41 -1.6(8) . . . . ?
S3A C40 C41 S3B 0.1(15) . . . . ?
S3A C40 C41 C42A 0.2(14) . . . . ?
C42A C39 C38 O6 -14.6(14) . . . . ?
C42A C39 C38 C37 164.8(9) . . . . ?
C42A C39 S3A C40 1.4(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: CH3CN'
_exptl_crystal_preparation       Luminescent
