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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_eu-tptbu
_database_code_depnum_ccdc_archive 'CCDC 2234667'
loop_
_audit_author_name
_audit_author_address
'WC Yan'
;PKU
China
;
_audit_update_record             
;
2023-01-06 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
_audit_creation_date             2022-10-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H68 B2 Eu N12'
_chemical_formula_sum            'C42 H68 B2 Eu N12'
_chemical_formula_weight         914.66
_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'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.0607(2)
_cell_length_b                   21.0152(4)
_cell_length_c                   20.7561(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.181(2)
_cell_angle_gamma                90
_cell_volume                     4762.80(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13424
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3260
_cell_measurement_theta_min      2.2230
_shelx_estimated_absorpt_T_max   0.987
_shelx_estimated_absorpt_T_min   0.935
_exptl_absorpt_coefficient_mu    1.358
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1908
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.907
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            35214
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.907
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.527
_diffrn_reflns_theta_min         2.194
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.907
_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                9671
_reflns_number_total             12060
_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.
;
_reflns_threshold_expression     'I > 2σ(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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.026
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         12060
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0273P)²+2.9608P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0714
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C42B) \\sim Ueq, Uanis(C40B) \\sim Ueq, Uanis(C41B) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C40A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C41B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
3. Others
 Sof(C40B)=Sof(H40A)=Sof(H40B)=Sof(H40C)=Sof(C41B)=Sof(H41A)=Sof(H41B)=
 Sof(H41C)=Sof(C42B)=Sof(H42A)=Sof(H42B)=Sof(H42C)=1-FVAR(1)
 Sof(C40A)=Sof(H40D)=Sof(H40E)=Sof(H40F)=Sof(C42A)=Sof(H42D)=Sof(H42E)=
 Sof(H42F)=Sof(C41A)=Sof(H41D)=Sof(H41E)=Sof(H41F)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 B2(H2A)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C10(H10), C11(H11), C14(H14), C17(H17), C20(H20), C21(H21),
 C28(H28), C29(H29), C30(H30), C32(H32)
4.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C18(H18A,H18B,H18C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,
 H27C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C),
 C40B(H40A,H40B,H40C), C41B(H41A,H41B,H41C), C42B(H42A,H42B,H42C), C40A(H40D,
 H40E,H40F), C42A(H42D,H42E,H42F), C41A(H41D,H41E,H41F)
;
_atom_sites_solution_hydrogens   mixed
_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
Eu1 Eu 0.45774(2) 0.47894(2) 0.74693(2) 0.02558(4) Uani 1 1 d . . . . .
N1 N 0.41805(17) 0.60096(9) 0.65063(9) 0.0273(4) Uani 1 1 d . . . . .
N2 N 0.63003(18) 0.48512(9) 0.84744(9) 0.0281(4) Uani 1 1 d . . . . .
N3 N 0.51827(17) 0.56165(9) 0.66111(9) 0.0267(4) Uani 1 1 d . . . . .
N4 N 0.19609(18) 0.59269(9) 0.59475(9) 0.0295(4) Uani 1 1 d . . . . .
N5 N 0.24391(17) 0.59406(9) 0.71808(9) 0.0259(4) Uani 1 1 d . . . . .
N6 N 0.56511(18) 0.37301(9) 0.71689(9) 0.0297(4) Uani 1 1 d . . . . .
N7 N 0.67646(18) 0.42499(9) 0.86194(9) 0.0299(4) Uani 1 1 d . . . . .
N8 N 0.28996(17) 0.56322(9) 0.77528(9) 0.0276(4) Uani 1 1 d . . . . .
N9 N 0.37891(19) 0.37860(9) 0.80293(10) 0.0330(5) Uani 1 1 d . . . . .
N10 N 0.62210(19) 0.34188(9) 0.77177(10) 0.0338(5) Uani 1 1 d . . . . .
N11 N 0.4739(2) 0.36085(9) 0.85096(10) 0.0333(5) Uani 1 1 d . . . . .
N12 N 0.16099(19) 0.65472(9) 0.58225(10) 0.0327(5) Uani 1 1 d . . . . .
C1 C 0.7155(2) 0.52612(11) 0.87578(11) 0.0290(5) Uani 1 1 d . . . . .
C2 C 0.1398(2) 0.55471(12) 0.54721(12) 0.0345(5) Uani 1 1 d . . . . .
H2 H 0.149025 0.510818 0.544967 0.041 Uiso 1 1 calc R U . . .
C3 C 0.8175(2) 0.49272(13) 0.90686(13) 0.0393(6) Uani 1 1 d . . . . .
H3 H 0.889817 0.509638 0.929308 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3467(3) 0.51333(12) 0.90469(13) 0.0406(6) Uani 1 1 d . . . . .
H4A H 0.308852 0.477785 0.880310 0.061 Uiso 1 1 calc R U . . .
H4B H 0.361037 0.502987 0.950320 0.061 Uiso 1 1 calc R U . . .
H4C H 0.423200 0.522892 0.890575 0.061 Uiso 1 1 calc R U . . .
C5 C 0.5820(2) 0.33734(12) 0.66589(12) 0.0335(5) Uani 1 1 d . . . . .
C6 C 0.5911(2) 0.61943(12) 0.82543(12) 0.0356(6) Uani 1 1 d . . . . .
H6A H 0.516962 0.598680 0.832469 0.053 Uiso 1 1 calc R U . . .
H6B H 0.608272 0.608737 0.782843 0.053 Uiso 1 1 calc R U . . .
H6C H 0.581456 0.664671 0.828505 0.053 Uiso 1 1 calc R U . . .
C7 C 0.6143(2) 0.59708(12) 0.64988(11) 0.0302(5) Uani 1 1 d . . . . .
C8 C 0.0820(2) 0.65346(11) 0.52664(11) 0.0292(5) Uani 1 1 d . . . . .
C9 C 0.2623(2) 0.57111(13) 0.89333(12) 0.0333(5) Uani 1 1 d . . . . .
C10 C 0.1643(2) 0.63904(12) 0.73009(12) 0.0325(5) Uani 1 1 d . . . . .
H10 H 0.120884 0.666022 0.699195 0.039 Uiso 1 1 calc R U . . .
C11 C 0.4517(2) 0.65926(12) 0.63417(14) 0.0399(6) Uani 1 1 d . . . . .
H11 H 0.399936 0.694074 0.625013 0.048 Uiso 1 1 calc R U . . .
C12 C 0.2374(2) 0.59076(11) 0.82212(11) 0.0286(5) Uani 1 1 d . . . . .
C13 C 0.5284(2) 0.35379(12) 0.59615(12) 0.0361(6) Uani 1 1 d . . . . .
C14 C 0.5755(3) 0.65896(12) 0.63308(14) 0.0419(6) Uani 1 1 d . . . . .
H14 H 0.623474 0.692854 0.623223 0.050 Uiso 1 1 calc R U . . .
C15 C 0.0217(2) 0.71377(12) 0.49747(12) 0.0336(5) Uani 1 1 d . . . . .
C16 C 0.6969(2) 0.59747(12) 0.87706(12) 0.0321(5) Uani 1 1 d . . . . .
C17 C 0.1577(2) 0.63859(12) 0.79534(13) 0.0356(6) Uani 1 1 d . . . . .
H17 H 0.109899 0.664762 0.817250 0.043 Uiso 1 1 calc R U . . .
C18 C 0.7616(2) 0.51104(14) 0.69614(14) 0.0430(7) Uani 1 1 d . . . . .
H18A H 0.751766 0.523356 0.739539 0.065 Uiso 1 1 calc R U . . .
H18B H 0.843010 0.495044 0.696515 0.065 Uiso 1 1 calc R U . . .
H18C H 0.703221 0.478464 0.680762 0.065 Uiso 1 1 calc R U . . .
C19 C 0.7406(2) 0.56868(13) 0.65097(12) 0.0359(6) Uani 1 1 d . . . . .
C20 C 0.7883(2) 0.42981(13) 0.89727(13) 0.0388(6) Uani 1 1 d . . . . .
H20 H 0.838343 0.395783 0.912848 0.047 Uiso 1 1 calc R U . . .
C21 C 0.6726(3) 0.28800(13) 0.75393(14) 0.0472(7) Uani 1 1 d . . . . .
H21 H 0.715609 0.258607 0.782275 0.057 Uiso 1 1 calc R U . . .
C22 C 0.2755(2) 0.35821(12) 0.82216(13) 0.0356(6) Uani 1 1 d . . . . .
C23 C 0.6706(3) 0.61498(14) 0.94552(13) 0.0440(7) Uani 1 1 d . . . . .
H23A H 0.656264 0.659933 0.947586 0.066 Uiso 1 1 calc R U . . .
H23B H 0.739735 0.603601 0.977560 0.066 Uiso 1 1 calc R U . . .
H23C H 0.599515 0.592332 0.954099 0.066 Uiso 1 1 calc R U . . .
C24 C 0.4457(3) 0.41146(14) 0.59359(13) 0.0476(7) Uani 1 1 d . . . . .
H24A H 0.412314 0.420705 0.549002 0.071 Uiso 1 1 calc R U . . .
H24B H 0.492160 0.447327 0.612481 0.071 Uiso 1 1 calc R U . . .
H24C H 0.380251 0.402904 0.617657 0.071 Uiso 1 1 calc R U . . .
B1 B 0.2882(2) 0.57381(12) 0.65437(13) 0.0265(5) Uani 1 1 d . . . . .
C25 C 0.7522(3) 0.54816(16) 0.58096(14) 0.0502(7) Uani 1 1 d . . . . .
H25A H 0.689916 0.517387 0.565861 0.075 Uiso 1 1 calc R U . . .
H25B H 0.831433 0.529672 0.580628 0.075 Uiso 1 1 calc R U . . .
H25C H 0.742349 0.584631 0.552759 0.075 Uiso 1 1 calc R U . . .
C26 C 0.8144(3) 0.63160(14) 0.86598(16) 0.0498(7) Uani 1 1 d . . . . .
H26A H 0.837850 0.617004 0.825925 0.075 Uiso 1 1 calc R U . . .
H26B H 0.878709 0.622503 0.901590 0.075 Uiso 1 1 calc R U . . .
H26C H 0.800087 0.676657 0.863482 0.075 Uiso 1 1 calc R U . . .
C27 C 0.3205(3) 0.62744(14) 0.93419(13) 0.0435(7) Uani 1 1 d . . . . .
H27A H 0.396486 0.638648 0.920344 0.065 Uiso 1 1 calc R U . . .
H27B H 0.335506 0.615658 0.979453 0.065 Uiso 1 1 calc R U . . .
H27C H 0.265851 0.663201 0.928312 0.065 Uiso 1 1 calc R U . . .
C28 C 0.6507(3) 0.28318(14) 0.68731(15) 0.0511(8) Uani 1 1 d . . . . .
H28 H 0.675881 0.250920 0.661800 0.061 Uiso 1 1 calc R U . . .
C29 C 0.0667(2) 0.59154(13) 0.50261(13) 0.0397(6) Uani 1 1 d . . . . .
H29 H 0.017405 0.578154 0.464491 0.048 Uiso 1 1 calc R U . . .
C30 C 0.4281(3) 0.33102(12) 0.89917(13) 0.0409(6) Uani 1 1 d . . . . .
H30 H 0.473756 0.314810 0.937117 0.049 Uiso 1 1 calc R U . . .
C31 C 0.1521(3) 0.36309(14) 0.77815(15) 0.0450(7) Uani 1 1 d . . . . .
C32 C 0.3025(3) 0.32842(13) 0.88313(13) 0.0446(7) Uani 1 1 d . . . . .
H32 H 0.247452 0.310684 0.907529 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4539(3) 0.29655(15) 0.56597(16) 0.0564(8) Uani 1 1 d . . . . .
H33A H 0.388860 0.287861 0.590273 0.085 Uiso 1 1 calc R U . . .
H33B H 0.506352 0.260008 0.567263 0.085 Uiso 1 1 calc R U . . .
H33C H 0.419986 0.305956 0.521500 0.085 Uiso 1 1 calc R U . . .
C34 C 0.8388(3) 0.61911(16) 0.67230(17) 0.0589(9) Uani 1 1 d . . . . .
H34A H 0.828679 0.653875 0.641919 0.088 Uiso 1 1 calc R U . . .
H34B H 0.918533 0.600649 0.673352 0.088 Uiso 1 1 calc R U . . .
H34C H 0.830906 0.634404 0.715009 0.088 Uiso 1 1 calc R U . . .
C35 C 0.1391(3) 0.55545(18) 0.91515(15) 0.0556(8) Uani 1 1 d . . . . .
H35A H 0.088267 0.592732 0.911096 0.083 Uiso 1 1 calc R U . . .
H35B H 0.153195 0.541685 0.959822 0.083 Uiso 1 1 calc R U . . .
H35C H 0.098876 0.522169 0.888139 0.083 Uiso 1 1 calc R U . . .
C36 C 0.6318(3) 0.36683(18) 0.55656(16) 0.0633(9) Uani 1 1 d . . . . .
H36A H 0.597171 0.379724 0.513156 0.095 Uiso 1 1 calc R U . . .
H36B H 0.679209 0.328828 0.554578 0.095 Uiso 1 1 calc R U . . .
H36C H 0.683550 0.400078 0.577200 0.095 Uiso 1 1 calc R U . . .
C37 C 0.1564(3) 0.40811(18) 0.72203(18) 0.0677(10) Uani 1 1 d . . . . .
H37A H 0.217157 0.393903 0.697033 0.102 Uiso 1 1 calc R U . . .
H37B H 0.176919 0.450027 0.738639 0.102 Uiso 1 1 calc R U . . .
H37C H 0.077744 0.409063 0.694675 0.102 Uiso 1 1 calc R U . . .
B2 B 0.6105(3) 0.36108(13) 0.84177(14) 0.0333(6) Uani 1 1 d . . . . .
H2A H 0.651964 0.328149 0.870646 0.040 Uiso 1 1 calc R U . . .
C38 C 0.1174(4) 0.29624(17) 0.7524(2) 0.0871(14) Uani 1 1 d . . . . .
H38A H 0.038128 0.297397 0.725746 0.131 Uiso 1 1 calc R U . . .
H38B H 0.115434 0.267891 0.788516 0.131 Uiso 1 1 calc R U . . .
H38C H 0.176924 0.281477 0.726894 0.131 Uiso 1 1 calc R U . . .
C39 C 0.0548(3) 0.3866(3) 0.8175(2) 0.0964(15) Uani 1 1 d . . . . .
H39A H 0.074215 0.429128 0.832504 0.145 Uiso 1 1 calc R U . . .
H39B H 0.053380 0.359099 0.854336 0.145 Uiso 1 1 calc R U . . .
H39C H -0.023998 0.386168 0.790343 0.145 Uiso 1 1 calc R U . . .
C40B C 0.0267(18) 0.7157(9) 0.4228(5) 0.065(5) Uani 0.40(2) 1 d . U P A 2
H40A H -0.008022 0.754980 0.404782 0.097 Uiso 0.40(2) 1 calc R U P A 2
H40B H -0.019065 0.680635 0.401648 0.097 Uiso 0.40(2) 1 calc R U P A 2
H40C H 0.110349 0.712777 0.415909 0.097 Uiso 0.40(2) 1 calc R U P A 2
C41B C -0.1154(17) 0.6985(9) 0.4743(9) 0.070(5) Uani 0.40(2) 1 d . U P A 2
H41A H -0.157929 0.736810 0.458989 0.105 Uiso 0.40(2) 1 calc R U P A 2
H41B H -0.150418 0.681418 0.510061 0.105 Uiso 0.40(2) 1 calc R U P A 2
H41C H -0.122807 0.667953 0.439555 0.105 Uiso 0.40(2) 1 calc R U P A 2
C42B C 0.023(2) 0.7640(8) 0.5526(9) 0.084(6) Uani 0.40(2) 1 d . U P A 2
H42A H 0.105510 0.769772 0.574595 0.126 Uiso 0.40(2) 1 calc R U P A 2
H42B H -0.027423 0.749557 0.583174 0.126 Uiso 0.40(2) 1 calc R U P A 2
H42C H -0.007914 0.803732 0.533936 0.126 Uiso 0.40(2) 1 calc R U P A 2
C40A C 0.0654(14) 0.7295(7) 0.4373(8) 0.091(4) Uani 0.60(2) 1 d . U P A 1
H40D H 0.058754 0.692805 0.409351 0.137 Uiso 0.60(2) 1 calc R U P A 1
H40E H 0.149508 0.742597 0.446794 0.137 Uiso 0.60(2) 1 calc R U P A 1
H40F H 0.016931 0.763492 0.415704 0.137 Uiso 0.60(2) 1 calc R U P A 1
C42A C 0.0869(13) 0.7726(4) 0.5299(5) 0.069(3) Uani 0.60(2) 1 d . . P A 1
H42D H 0.170207 0.773097 0.522313 0.104 Uiso 0.60(2) 1 calc R U P A 1
H42E H 0.085436 0.771245 0.576034 0.104 Uiso 0.60(2) 1 calc R U P A 1
H42F H 0.045751 0.810290 0.511784 0.104 Uiso 0.60(2) 1 calc R U P A 1
C41A C -0.1115(11) 0.7145(6) 0.5044(9) 0.079(4) Uani 0.60(2) 1 d . . P A 1
H41D H -0.149818 0.751711 0.483423 0.118 Uiso 0.60(2) 1 calc R U P A 1
H41E H -0.118902 0.715227 0.549891 0.118 Uiso 0.60(2) 1 calc R U P A 1
H41F H -0.150839 0.677124 0.484455 0.118 Uiso 0.60(2) 1 calc R U P A 1
H1 H 0.295(2) 0.5233(12) 0.6534(13) 0.035(7) Uiso 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
Eu1 N2 2.5946(19) . ?
Eu1 N3 2.6500(19) . ?
Eu1 N6 2.6440(19) . ?
Eu1 N8 2.6974(19) . ?
Eu1 N9 2.623(2) . ?
Eu1 B1 3.167(3) . ?
Eu1 H1 2.60(3) . ?
N1 N3 1.372(3) . ?
N1 C11 1.341(3) . ?
N1 B1 1.558(3) . ?
N2 N7 1.379(3) . ?
N2 C1 1.344(3) . ?
N3 C7 1.348(3) . ?
N4 N12 1.373(3) . ?
N4 C2 1.342(3) . ?
N4 B1 1.525(3) . ?
N5 N8 1.377(2) . ?
N5 C10 1.342(3) . ?
N5 B1 1.542(3) . ?
N6 N10 1.376(3) . ?
N6 C5 1.334(3) . ?
N7 C20 1.338(3) . ?
N7 B2 1.554(3) . ?
N8 C12 1.341(3) . ?
N9 N11 1.380(3) . ?
N9 C22 1.340(3) . ?
N10 C21 1.340(3) . ?
N10 B2 1.533(3) . ?
N11 C30 1.347(3) . ?
N11 B2 1.553(4) . ?
N12 C8 1.332(3) . ?
C1 C3 1.396(3) . ?
C1 C16 1.514(3) . ?
C2 H2 0.9300 . ?
C2 C29 1.368(3) . ?
C3 H3 0.9300 . ?
C3 C20 1.368(4) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C4 C9 1.526(4) . ?
C5 C13 1.514(3) . ?
C5 C28 1.401(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 C16 1.526(3) . ?
C7 C14 1.396(4) . ?
C7 C19 1.516(3) . ?
C8 C15 1.513(3) . ?
C8 C29 1.394(3) . ?
C9 C12 1.517(3) . ?
C9 C27 1.536(4) . ?
C9 C35 1.539(4) . ?
C10 H10 0.9300 . ?
C10 C17 1.368(3) . ?
C11 H11 0.9300 . ?
C11 C14 1.373(4) . ?
C12 C17 1.393(3) . ?
C13 C24 1.514(4) . ?
C13 C33 1.534(4) . ?
C13 C36 1.535(4) . ?
C14 H14 0.9300 . ?
C15 C40B 1.561(12) . ?
C15 C41B 1.549(17) . ?
C15 C42B 1.555(14) . ?
C15 C40A 1.448(13) . ?
C15 C42A 1.532(8) . ?
C15 C41A 1.503(10) . ?
C16 C23 1.540(4) . ?
C16 C26 1.534(4) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 C19 1.527(4) . ?
C19 C25 1.541(4) . ?
C19 C34 1.532(4) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C28 1.369(4) . ?
C22 C31 1.520(4) . ?
C22 C32 1.401(4) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
B1 H1 1.07(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C30 C32 1.376(4) . ?
C31 C37 1.507(4) . ?
C31 C38 1.530(4) . ?
C31 C39 1.533(5) . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
B2 H2A 0.9800 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40B H40A 0.9600 . ?
C40B H40B 0.9600 . ?
C40B H40C 0.9600 . ?
C41B H41A 0.9600 . ?
C41B H41B 0.9600 . ?
C41B H41C 0.9600 . ?
C42B H42A 0.9600 . ?
C42B H42B 0.9600 . ?
C42B H42C 0.9600 . ?
C40A H40D 0.9600 . ?
C40A H40E 0.9600 . ?
C40A H40F 0.9600 . ?
C42A H42D 0.9600 . ?
C42A H42E 0.9600 . ?
C42A H42F 0.9600 . ?
C41A H41D 0.9600 . ?
C41A H41E 0.9600 . ?
C41A H41F 0.9600 . ?

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
N2 Eu1 N3 106.00(6) . . ?
N2 Eu1 N6 86.09(6) . . ?
N2 Eu1 N8 103.55(6) . . ?
N2 Eu1 N9 86.41(6) . . ?
N2 Eu1 B1 138.07(6) . . ?
N2 Eu1 H1 156.1(6) . . ?
N3 Eu1 N8 88.41(6) . . ?
N3 Eu1 B1 50.80(6) . . ?
N3 Eu1 H1 58.8(6) . . ?
N6 Eu1 N3 102.86(6) . . ?
N6 Eu1 N8 162.71(6) . . ?
N6 Eu1 B1 129.17(6) . . ?
N6 Eu1 H1 114.1(6) . . ?
N8 Eu1 B1 50.03(6) . . ?
N8 Eu1 H1 60.6(6) . . ?
N9 Eu1 N3 164.27(6) . . ?
N9 Eu1 N6 67.74(6) . . ?
N9 Eu1 N8 98.18(6) . . ?
N9 Eu1 B1 124.64(7) . . ?
N9 Eu1 H1 112.3(6) . . ?
B1 Eu1 H1 18.1(5) . . ?
N3 N1 B1 119.94(18) . . ?
C11 N1 N3 109.9(2) . . ?
C11 N1 B1 130.0(2) . . ?
N7 N2 Eu1 109.26(13) . . ?
C1 N2 Eu1 139.41(15) . . ?
C1 N2 N7 106.30(19) . . ?
N1 N3 Eu1 102.55(12) . . ?
C7 N3 Eu1 140.29(15) . . ?
C7 N3 N1 106.21(19) . . ?
N12 N4 B1 122.17(19) . . ?
C2 N4 N12 109.98(19) . . ?
C2 N4 B1 127.8(2) . . ?
N8 N5 B1 119.02(18) . . ?
C10 N5 N8 109.57(19) . . ?
C10 N5 B1 131.4(2) . . ?
N10 N6 Eu1 111.64(13) . . ?
C5 N6 Eu1 141.73(16) . . ?
C5 N6 N10 106.61(19) . . ?
N2 N7 B2 126.23(19) . . ?
C20 N7 N2 109.3(2) . . ?
C20 N7 B2 124.5(2) . . ?
N5 N8 Eu1 107.08(13) . . ?
C12 N8 Eu1 146.56(15) . . ?
C12 N8 N5 106.16(18) . . ?
N11 N9 Eu1 105.60(13) . . ?
C22 N9 Eu1 138.47(17) . . ?
C22 N9 N11 106.6(2) . . ?
N6 N10 B2 124.26(19) . . ?
C21 N10 N6 109.2(2) . . ?
C21 N10 B2 125.9(2) . . ?
N9 N11 B2 123.7(2) . . ?
C30 N11 N9 109.2(2) . . ?
C30 N11 B2 125.6(2) . . ?
C8 N12 N4 105.75(19) . . ?
N2 C1 C3 109.9(2) . . ?
N2 C1 C16 123.7(2) . . ?
C3 C1 C16 126.3(2) . . ?
N4 C2 H2 125.8 . . ?
N4 C2 C29 108.4(2) . . ?
C29 C2 H2 125.8 . . ?
C1 C3 H3 127.3 . . ?
C20 C3 C1 105.3(2) . . ?
C20 C3 H3 127.3 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C9 C4 H4A 109.5 . . ?
C9 C4 H4B 109.5 . . ?
C9 C4 H4C 109.5 . . ?
N6 C5 C13 123.2(2) . . ?
N6 C5 C28 110.0(2) . . ?
C28 C5 C13 126.8(2) . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C16 C6 H6A 109.5 . . ?
C16 C6 H6B 109.5 . . ?
C16 C6 H6C 109.5 . . ?
N3 C7 C14 109.8(2) . . ?
N3 C7 C19 122.0(2) . . ?
C14 C7 C19 128.0(2) . . ?
N12 C8 C15 121.1(2) . . ?
N12 C8 C29 110.7(2) . . ?
C29 C8 C15 128.2(2) . . ?
C4 C9 C27 109.6(2) . . ?
C4 C9 C35 109.4(2) . . ?
C12 C9 C4 112.3(2) . . ?
C12 C9 C27 108.9(2) . . ?
C12 C9 C35 108.2(2) . . ?
C27 C9 C35 108.4(2) . . ?
N5 C10 H10 125.7 . . ?
N5 C10 C17 108.6(2) . . ?
C17 C10 H10 125.7 . . ?
N1 C11 H11 125.7 . . ?
N1 C11 C14 108.6(2) . . ?
C14 C11 H11 125.7 . . ?
N8 C12 C9 123.8(2) . . ?
N8 C12 C17 110.0(2) . . ?
C17 C12 C9 126.2(2) . . ?
C5 C13 C24 111.0(2) . . ?
C5 C13 C33 108.3(2) . . ?
C5 C13 C36 109.9(2) . . ?
C24 C13 C33 109.4(2) . . ?
C24 C13 C36 109.6(3) . . ?
C33 C13 C36 108.6(2) . . ?
C7 C14 H14 127.2 . . ?
C11 C14 C7 105.5(2) . . ?
C11 C14 H14 127.2 . . ?
C8 C15 C40B 109.7(6) . . ?
C8 C15 C41B 107.4(7) . . ?
C8 C15 C42B 108.8(5) . . ?
C8 C15 C42A 110.7(4) . . ?
C41B C15 C40B 83.4(13) . . ?
C41B C15 C42B 105.2(8) . . ?
C42B C15 C40B 135.6(13) . . ?
C40A C15 C8 110.5(6) . . ?
C40A C15 C42A 89.8(12) . . ?
C40A C15 C41A 123.2(11) . . ?
C41A C15 C8 110.3(4) . . ?
C41A C15 C42A 110.4(6) . . ?
C1 C16 C6 112.2(2) . . ?
C1 C16 C23 107.4(2) . . ?
C1 C16 C26 109.8(2) . . ?
C6 C16 C23 109.8(2) . . ?
C6 C16 C26 109.0(2) . . ?
C26 C16 C23 108.4(2) . . ?
C10 C17 C12 105.6(2) . . ?
C10 C17 H17 127.2 . . ?
C12 C17 H17 127.2 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
C7 C19 C18 111.8(2) . . ?
C7 C19 C25 108.1(2) . . ?
C7 C19 C34 110.0(2) . . ?
C18 C19 C25 109.3(2) . . ?
C18 C19 C34 109.9(2) . . ?
C34 C19 C25 107.7(2) . . ?
N7 C20 C3 109.2(2) . . ?
N7 C20 H20 125.4 . . ?
C3 C20 H20 125.4 . . ?
N10 C21 H21 125.5 . . ?
N10 C21 C28 109.1(2) . . ?
C28 C21 H21 125.5 . . ?
N9 C22 C31 121.8(2) . . ?
N9 C22 C32 110.0(2) . . ?
C32 C22 C31 128.0(2) . . ?
C16 C23 H23A 109.5 . . ?
C16 C23 H23B 109.5 . . ?
C16 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C13 C24 H24A 109.5 . . ?
C13 C24 H24B 109.5 . . ?
C13 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Eu1 B1 H1 49.3(14) . . ?
N1 B1 Eu1 78.45(12) . . ?
N1 B1 H1 107.3(15) . . ?
N4 B1 Eu1 155.55(16) . . ?
N4 B1 N1 111.47(19) . . ?
N4 B1 N5 111.19(19) . . ?
N4 B1 H1 106.4(14) . . ?
N5 B1 Eu1 83.80(12) . . ?
N5 B1 N1 111.30(19) . . ?
N5 B1 H1 108.9(15) . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C16 C26 H26A 109.5 . . ?
C16 C26 H26B 109.5 . . ?
C16 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C9 C27 H27A 109.5 . . ?
C9 C27 H27B 109.5 . . ?
C9 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C5 C28 H28 127.5 . . ?
C21 C28 C5 105.1(2) . . ?
C21 C28 H28 127.5 . . ?
C2 C29 C8 105.1(2) . . ?
C2 C29 H29 127.4 . . ?
C8 C29 H29 127.4 . . ?
N11 C30 H30 125.6 . . ?
N11 C30 C32 108.9(2) . . ?
C32 C30 H30 125.6 . . ?
C22 C31 C38 107.4(3) . . ?
C22 C31 C39 109.9(3) . . ?
C37 C31 C22 111.8(2) . . ?
C37 C31 C38 110.1(3) . . ?
C37 C31 C39 108.7(3) . . ?
C38 C31 C39 108.8(3) . . ?
C22 C32 H32 127.4 . . ?
C30 C32 C22 105.2(2) . . ?
C30 C32 H32 127.4 . . ?
C13 C33 H33A 109.5 . . ?
C13 C33 H33B 109.5 . . ?
C13 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C19 C34 H34A 109.5 . . ?
C19 C34 H34B 109.5 . . ?
C19 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C9 C35 H35A 109.5 . . ?
C9 C35 H35B 109.5 . . ?
C9 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C13 C36 H36A 109.5 . . ?
C13 C36 H36B 109.5 . . ?
C13 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C31 C37 H37A 109.5 . . ?
C31 C37 H37B 109.5 . . ?
C31 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N7 B2 H2A 107.0 . . ?
N10 B2 N7 112.1(2) . . ?
N10 B2 N11 110.2(2) . . ?
N10 B2 H2A 107.0 . . ?
N11 B2 N7 113.2(2) . . ?
N11 B2 H2A 107.0 . . ?
C31 C38 H38A 109.5 . . ?
C31 C38 H38B 109.5 . . ?
C31 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C31 C39 H39A 109.5 . . ?
C31 C39 H39B 109.5 . . ?
C31 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C15 C40B H40A 109.5 . . ?
C15 C40B H40B 109.5 . . ?
C15 C40B H40C 109.5 . . ?
H40A C40B H40B 109.5 . . ?
H40A C40B H40C 109.5 . . ?
H40B C40B H40C 109.5 . . ?
C15 C41B H41A 109.5 . . ?
C15 C41B H41B 109.5 . . ?
C15 C41B H41C 109.5 . . ?
H41A C41B H41B 109.5 . . ?
H41A C41B H41C 109.5 . . ?
H41B C41B H41C 109.5 . . ?
C15 C42B H42A 109.5 . . ?
C15 C42B H42B 109.5 . . ?
C15 C42B H42C 109.5 . . ?
H42A C42B H42B 109.5 . . ?
H42A C42B H42C 109.5 . . ?
H42B C42B H42C 109.5 . . ?
C15 C40A H40D 109.5 . . ?
C15 C40A H40E 109.5 . . ?
C15 C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
C15 C42A H42D 109.5 . . ?
C15 C42A H42E 109.5 . . ?
C15 C42A H42F 109.5 . . ?
H42D C42A H42E 109.5 . . ?
H42D C42A H42F 109.5 . . ?
H42E C42A H42F 109.5 . . ?
C15 C41A H41D 109.5 . . ?
C15 C41A H41E 109.5 . . ?
C15 C41A H41F 109.5 . . ?
H41D C41A H41E 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?

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 N2 N7 C20 159.04(16) . . . . ?
Eu1 N2 N7 B2 -21.7(3) . . . . ?
Eu1 N2 C1 C3 -148.9(2) . . . . ?
Eu1 N2 C1 C16 35.3(4) . . . . ?
Eu1 N3 C7 C14 -134.0(2) . . . . ?
Eu1 N3 C7 C19 50.5(3) . . . . ?
Eu1 N6 N10 C21 178.67(18) . . . . ?
Eu1 N6 N10 B2 7.7(3) . . . . ?
Eu1 N6 C5 C13 -0.8(4) . . . . ?
Eu1 N6 C5 C28 -178.5(2) . . . . ?
Eu1 N8 C12 C9 -6.5(4) . . . . ?
Eu1 N8 C12 C17 174.0(2) . . . . ?
Eu1 N9 N11 C30 152.43(16) . . . . ?
Eu1 N9 N11 B2 -41.0(2) . . . . ?
Eu1 N9 C22 C31 47.0(4) . . . . ?
Eu1 N9 C22 C32 -138.3(2) . . . . ?
N1 N3 C7 C14 0.7(3) . . . . ?
N1 N3 C7 C19 -174.8(2) . . . . ?
N1 C11 C14 C7 0.0(3) . . . . ?
N2 N7 C20 C3 0.2(3) . . . . ?
N2 N7 B2 N10 82.0(3) . . . . ?
N2 N7 B2 N11 -43.4(3) . . . . ?
N2 C1 C3 C20 -1.4(3) . . . . ?
N2 C1 C16 C6 -18.6(3) . . . . ?
N2 C1 C16 C23 102.2(3) . . . . ?
N2 C1 C16 C26 -140.1(2) . . . . ?
N3 N1 C11 C14 0.5(3) . . . . ?
N3 N1 B1 Eu1 26.38(17) . . . . ?
N3 N1 B1 N4 -130.3(2) . . . . ?
N3 N1 B1 N5 105.0(2) . . . . ?
N3 C7 C14 C11 -0.4(3) . . . . ?
N3 C7 C19 C18 -28.2(3) . . . . ?
N3 C7 C19 C25 92.1(3) . . . . ?
N3 C7 C19 C34 -150.5(2) . . . . ?
N4 N12 C8 C15 179.2(2) . . . . ?
N4 N12 C8 C29 -0.7(3) . . . . ?
N4 C2 C29 C8 -0.4(3) . . . . ?
N5 N8 C12 C9 179.9(2) . . . . ?
N5 N8 C12 C17 0.4(3) . . . . ?
N5 C10 C17 C12 -0.2(3) . . . . ?
N6 N10 C21 C28 0.5(3) . . . . ?
N6 N10 B2 N7 -69.6(3) . . . . ?
N6 N10 B2 N11 57.4(3) . . . . ?
N6 C5 C13 C24 -5.2(4) . . . . ?
N6 C5 C13 C33 -125.2(3) . . . . ?
N6 C5 C13 C36 116.3(3) . . . . ?
N6 C5 C28 C21 0.7(3) . . . . ?
N7 N2 C1 C3 1.5(3) . . . . ?
N7 N2 C1 C16 -174.3(2) . . . . ?
N8 N5 C10 C17 0.4(3) . . . . ?
N8 N5 B1 Eu1 -2.37(18) . . . . ?
N8 N5 B1 N1 -77.4(2) . . . . ?
N8 N5 B1 N4 157.68(19) . . . . ?
N8 C12 C17 C10 -0.1(3) . . . . ?
N9 N11 C30 C32 0.4(3) . . . . ?
N9 N11 B2 N7 91.0(3) . . . . ?
N9 N11 B2 N10 -35.4(3) . . . . ?
N9 C22 C31 C37 -15.8(4) . . . . ?
N9 C22 C31 C38 105.1(3) . . . . ?
N9 C22 C31 C39 -136.7(3) . . . . ?
N9 C22 C32 C30 -0.9(3) . . . . ?
N10 N6 C5 C13 177.3(2) . . . . ?
N10 N6 C5 C28 -0.4(3) . . . . ?
N10 C21 C28 C5 -0.8(4) . . . . ?
N11 N9 C22 C31 -173.5(2) . . . . ?
N11 N9 C22 C32 1.2(3) . . . . ?
N11 C30 C32 C22 0.3(3) . . . . ?
N12 N4 C2 C29 0.0(3) . . . . ?
N12 N4 B1 Eu1 -176.5(3) . . . . ?
N12 N4 B1 N1 -66.3(3) . . . . ?
N12 N4 B1 N5 58.6(3) . . . . ?
N12 C8 C15 C40B 134.4(9) . . . . ?
N12 C8 C15 C41B -136.5(9) . . . . ?
N12 C8 C15 C42B -23.1(12) . . . . ?
N12 C8 C15 C40A 111.9(8) . . . . ?
N12 C8 C15 C42A 14.0(8) . . . . ?
N12 C8 C15 C41A -108.5(8) . . . . ?
N12 C8 C29 C2 0.7(3) . . . . ?
C1 N2 N7 C20 -1.0(3) . . . . ?
C1 N2 N7 B2 178.2(2) . . . . ?
C1 C3 C20 N7 0.7(3) . . . . ?
C2 N4 N12 C8 0.4(3) . . . . ?
C2 N4 B1 Eu1 2.1(6) . . . . ?
C2 N4 B1 N1 112.3(3) . . . . ?
C2 N4 B1 N5 -122.8(3) . . . . ?
C3 C1 C16 C6 166.3(2) . . . . ?
C3 C1 C16 C23 -72.9(3) . . . . ?
C3 C1 C16 C26 44.8(3) . . . . ?
C4 C9 C12 N8 -4.2(3) . . . . ?
C4 C9 C12 C17 175.2(2) . . . . ?
C5 N6 N10 C21 -0.1(3) . . . . ?
C5 N6 N10 B2 -171.0(2) . . . . ?
C9 C12 C17 C10 -179.7(2) . . . . ?
C10 N5 N8 Eu1 -176.81(14) . . . . ?
C10 N5 N8 C12 -0.5(2) . . . . ?
C10 N5 B1 Eu1 177.3(2) . . . . ?
C10 N5 B1 N1 102.2(3) . . . . ?
C10 N5 B1 N4 -22.7(3) . . . . ?
C11 N1 N3 Eu1 151.57(17) . . . . ?
C11 N1 N3 C7 -0.7(3) . . . . ?
C11 N1 B1 Eu1 -158.3(2) . . . . ?
C11 N1 B1 N4 45.1(3) . . . . ?
C11 N1 B1 N5 -79.7(3) . . . . ?
C13 C5 C28 C21 -176.9(3) . . . . ?
C14 C7 C19 C18 157.2(3) . . . . ?
C14 C7 C19 C25 -82.5(3) . . . . ?
C14 C7 C19 C34 34.9(4) . . . . ?
C15 C8 C29 C2 -179.2(2) . . . . ?
C16 C1 C3 C20 174.3(2) . . . . ?
C19 C7 C14 C11 174.7(2) . . . . ?
C20 N7 B2 N10 -98.8(3) . . . . ?
C20 N7 B2 N11 135.8(2) . . . . ?
C21 N10 B2 N7 120.9(3) . . . . ?
C21 N10 B2 N11 -112.0(3) . . . . ?
C22 N9 N11 C30 -1.0(3) . . . . ?
C22 N9 N11 B2 165.5(2) . . . . ?
B1 N1 N3 Eu1 -32.2(2) . . . . ?
B1 N1 N3 C7 175.49(19) . . . . ?
B1 N1 C11 C14 -175.3(2) . . . . ?
B1 N4 N12 C8 179.2(2) . . . . ?
B1 N4 C2 C29 -178.7(2) . . . . ?
B1 N5 N8 Eu1 2.9(2) . . . . ?
B1 N5 N8 C12 179.24(19) . . . . ?
B1 N5 C10 C17 -179.3(2) . . . . ?
C27 C9 C12 N8 117.3(3) . . . . ?
C27 C9 C12 C17 -63.2(3) . . . . ?
C28 C5 C13 C24 172.2(3) . . . . ?
C28 C5 C13 C33 52.1(4) . . . . ?
C28 C5 C13 C36 -66.4(4) . . . . ?
C29 C8 C15 C40B -45.7(9) . . . . ?
C29 C8 C15 C41B 43.4(9) . . . . ?
C29 C8 C15 C42B 156.8(12) . . . . ?
C29 C8 C15 C40A -68.2(9) . . . . ?
C29 C8 C15 C42A -166.1(7) . . . . ?
C29 C8 C15 C41A 71.4(9) . . . . ?
C30 N11 B2 N7 -104.7(3) . . . . ?
C30 N11 B2 N10 128.9(2) . . . . ?
C31 C22 C32 C30 173.4(3) . . . . ?
C32 C22 C31 C37 170.4(3) . . . . ?
C32 C22 C31 C38 -68.7(4) . . . . ?
C32 C22 C31 C39 49.6(4) . . . . ?
C35 C9 C12 N8 -125.1(3) . . . . ?
C35 C9 C12 C17 54.3(3) . . . . ?
B2 N7 C20 C3 -179.1(2) . . . . ?
B2 N10 C21 C28 171.3(3) . . . . ?
B2 N11 C30 C32 -165.8(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_exp_10164
_database_code_depnum_ccdc_archive 'CCDC 2234668'
loop_
_audit_author_name
_audit_author_address
'WC Yan'
;PKU
China
;
_audit_update_record             
;
2023-01-06 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
_audit_creation_date             2022-11-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H68 B Eu I N6 O2'
_chemical_formula_sum            'C47 H68 B Eu I N6 O2'
_chemical_formula_weight         1038.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N B Eu I'
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'
B B 0.0013 0.0007 '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'
I I -0.4742 1.8119 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   27.6985(3)
_cell_length_b                   15.4209(2)
_cell_length_c                   21.5097(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.0190(10)
_cell_angle_gamma                90
_cell_volume                     9152.33(18)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    32711
_cell_measurement_temperature    180.00(10)
_cell_measurement_theta_max      29.1210
_cell_measurement_theta_min      2.1400
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.089
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.934
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            53504
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.221
_diffrn_reflns_theta_min         2.140
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00  56.00   0.50    3.00    --  -20.70  77.00 -60.00  242
  2  ω     -9.00  20.00   0.50    3.00    --  -20.70 -57.00  30.00   58
  3  ω   -110.00 -69.00   0.50    3.00    --  -20.70 -57.00  30.00   82
  4  ω    -27.00  46.00   0.50    3.00    --   20.90  77.00-120.00  146
  5  ω      3.00 109.00   0.50    3.00    --   20.90  57.00-150.00  212
  6  ω    -10.00  91.00   0.50    3.00    --   20.90  82.00  90.00  202
  7  ω     -5.00  86.00   0.50    3.00    --   20.90  82.00 -30.00  182
  8  ω      6.00 108.00   0.50    3.00    --   20.90  77.00  60.00  204
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0205992000
_diffrn_orient_matrix_UB_12      0.0105454000
_diffrn_orient_matrix_UB_13      -0.0158795000
_diffrn_orient_matrix_UB_21      0.0025709000
_diffrn_orient_matrix_UB_22      0.0395428000
_diffrn_orient_matrix_UB_23      0.0168229000
_diffrn_orient_matrix_UB_31      0.0151690000
_diffrn_orient_matrix_UB_32      -0.0210185000
_diffrn_orient_matrix_UB_33      0.0236618000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10486
_reflns_number_total             11615
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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         1.278
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         11615
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0207
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²+10.9921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0533
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C17(H17), C56(H56), B24(H24), C52(H52), C15(H15), C35(H35), C47(H47),
 C42(H42), C39(H39), C49(H49)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C18(H18A,H18B), C4(H4A,H4B), C55(H55A,H55B), C7(H7A,H7B),
 C9(H9A,H9B), C12(H12A,H12B), C14(H14A,H14B), C16(H16A,H16B), C57(H57A,H57B),
 C38(H38A,H38B), C11(H11A,H11B), C51(H51A,H51B), C36(H36A,H36B), C43(H43A,H43B),
  C6(H6A,H6B), C44(H44A,H44B), C58(H58A,H58B), C54(H54A,H54B), C5(H5A,H5B),
 C53(H53A,H53B), C50(H50A,H50B), C46(H46A,H46B), C48(H48A,H48B), C40(H40A,H40B),
  C41(H41A,H41B)
2.c Aromatic/amide H refined with riding coordinates:
 C26(H26), C27(H27), C33(H33), C(H), C21(H21), C20(H20)
;
_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
Eu1 Eu 0.39354(2) 0.34066(2) 0.64510(2) 0.02217(3) Uani 1 1 d . . . . .
I2 I 0.38339(2) 0.37471(2) 0.49744(2) 0.03958(4) Uani 1 1 d . . . . .
O3 O 0.44772(5) 0.48227(9) 0.65596(6) 0.0344(3) Uani 1 1 d . . . . .
O8 O 0.30001(5) 0.30150(11) 0.63232(6) 0.0382(3) Uani 1 1 d . . . . .
N29 N 0.38494(6) 0.20091(10) 0.71479(6) 0.0271(3) Uani 1 1 d . . . . .
N25 N 0.38740(6) 0.21815(10) 0.77784(6) 0.0281(3) Uani 1 1 d . . . . .
N23 N 0.47045(5) 0.30451(10) 0.72141(6) 0.0272(3) Uani 1 1 d . . . . .
N31 N 0.36394(5) 0.41679(10) 0.74164(6) 0.0270(3) Uani 1 1 d . . . . .
N30 N 0.38100(6) 0.38277(10) 0.79827(7) 0.0285(3) Uani 1 1 d . . . . .
N19 N 0.46285(6) 0.30910(11) 0.78345(7) 0.0292(3) Uani 1 1 d . . . . .
C28 C 0.36987(7) 0.11891(12) 0.70782(8) 0.0289(4) Uani 1 1 d . . . . .
C32 C 0.33893(7) 0.48868(13) 0.75359(8) 0.0299(4) Uani 1 1 d . . . . .
C26 C 0.37347(8) 0.14749(13) 0.80847(9) 0.0348(4) Uani 1 1 d . . . . .
H26 H 0.372221 0.143038 0.851417 0.042 Uiso 1 1 calc R U . . .
C27 C 0.36144(8) 0.08321(14) 0.76587(9) 0.0367(4) Uani 1 1 d . . . . .
H27 H 0.350137 0.027852 0.773763 0.044 Uiso 1 1 calc R U . . .
C10 C 0.23123(8) 0.23042(16) 0.58630(11) 0.0448(5) Uani 1 1 d . . . . .
H10A H 0.241589 0.177552 0.566972 0.054 Uiso 1 1 calc R U . . .
H10B H 0.198883 0.245079 0.568452 0.054 Uiso 1 1 calc R U . . .
C22 C 0.51835(6) 0.30000(13) 0.71839(8) 0.0290(4) Uani 1 1 d . . . . .
C37 C 0.31432(7) 0.54573(13) 0.70356(9) 0.0326(4) Uani 1 1 d . . . . .
C18 C 0.50302(7) 0.30163(16) 0.60164(9) 0.0392(5) Uani 1 1 d . . . . .
H18A H 0.490188 0.360054 0.603091 0.047 Uiso 1 1 calc R U . . .
H18B H 0.476309 0.261380 0.603833 0.047 Uiso 1 1 calc R U . . .
C4 C 0.46078(9) 0.54055(16) 0.60803(11) 0.0478(6) Uani 1 1 d . . . . .
H4A H 0.435124 0.582400 0.598054 0.057 Uiso 1 1 calc R U . . .
H4B H 0.466344 0.508673 0.570443 0.057 Uiso 1 1 calc R U . . .
C13 C 0.54019(6) 0.28724(13) 0.65753(8) 0.0287(4) Uani 1 1 d . . . . .
C55 C 0.55913(8) 0.19372(15) 0.65320(10) 0.0392(4) Uani 1 1 d . . . . .
H55A H 0.582915 0.182330 0.688068 0.047 Uiso 1 1 calc R U . . .
H55B H 0.532532 0.153274 0.655564 0.047 Uiso 1 1 calc R U . . .
C7 C 0.46733(9) 0.51857(16) 0.71492(10) 0.0434(5) Uani 1 1 d . . . . .
H7A H 0.479380 0.472721 0.743003 0.052 Uiso 1 1 calc R U . . .
H7B H 0.442405 0.550247 0.734370 0.052 Uiso 1 1 calc R U . . .
C33 C 0.33984(9) 0.50015(15) 0.81862(9) 0.0434(5) Uani 1 1 d . . . . .
H33 H 0.325429 0.544516 0.839705 0.052 Uiso 1 1 calc R U . . .
C9 C 0.26603(9) 0.30323(18) 0.57737(11) 0.0500(6) Uani 1 1 d . . . . .
H9A H 0.282599 0.294190 0.539997 0.060 Uiso 1 1 calc R U . . .
H9B H 0.249141 0.358348 0.573927 0.060 Uiso 1 1 calc R U . . .
C C 0.36627(8) 0.43255(15) 0.84408(9) 0.0392(5) Uani 1 1 d . . . . .
H H 0.373050 0.422485 0.886578 0.047 Uiso 1 1 calc R U . . .
C17 C 0.52604(8) 0.28834(18) 0.53997(9) 0.0487(6) Uani 1 1 d . . . . .
H17 H 0.501762 0.299041 0.504868 0.058 Uiso 1 1 calc R U . . .
C45 C 0.36827(7) 0.07313(12) 0.64567(8) 0.0292(4) Uani 1 1 d . . . . .
C12 C 0.27252(8) 0.27675(17) 0.68338(10) 0.0420(5) Uani 1 1 d . . . . .
H12A H 0.259566 0.327685 0.702507 0.050 Uiso 1 1 calc R U . . .
H12B H 0.292922 0.245634 0.714846 0.050 Uiso 1 1 calc R U . . .
C21 C 0.54193(7) 0.30308(16) 0.77889(9) 0.0396(5) Uani 1 1 d . . . . .
H21 H 0.575131 0.301568 0.790017 0.048 Uiso 1 1 calc R U . . .
C14 C 0.58308(9) 0.34959(16) 0.65253(11) 0.0455(5) Uani 1 1 d . . . . .
H14A H 0.571893 0.409044 0.654561 0.055 Uiso 1 1 calc R U . . .
H14B H 0.607250 0.339986 0.687272 0.055 Uiso 1 1 calc R U . . .
C20 C 0.50569(7) 0.30878(15) 0.81788(9) 0.0387(5) Uani 1 1 d . . . . .
H20 H 0.509988 0.311922 0.861190 0.046 Uiso 1 1 calc R U . . .
C56 C 0.58230(9) 0.18014(17) 0.59176(11) 0.0473(5) Uani 1 1 d . . . . .
H56 H 0.594312 0.120495 0.589970 0.057 Uiso 1 1 calc R U . . .
C16 C 0.56820(11) 0.35137(19) 0.53677(12) 0.0590(7) Uani 1 1 d . . . . .
H16A H 0.582687 0.343715 0.497683 0.071 Uiso 1 1 calc R U . . .
H16B H 0.556500 0.410533 0.538500 0.071 Uiso 1 1 calc R U . . .
C57 C 0.54417(8) 0.19572(19) 0.53709(11) 0.0503(6) Uani 1 1 d . . . . .
H57A H 0.558257 0.186027 0.497946 0.060 Uiso 1 1 calc R U . . .
H57B H 0.517393 0.155651 0.539411 0.060 Uiso 1 1 calc R U . . .
B24 B 0.41210(8) 0.29969(15) 0.80788(9) 0.0285(4) Uani 1 1 d . . . . .
H24 H 0.417069 0.289184 0.852921 0.034 Uiso 1 1 calc R U . . .
C52 C 0.37078(11) 0.08727(15) 0.52884(10) 0.0507(6) Uani 1 1 d . . . . .
H52 H 0.372391 0.129110 0.494795 0.061 Uiso 1 1 calc R U . . .
C38 C 0.33138(10) 0.63997(15) 0.71294(12) 0.0497(6) Uani 1 1 d . . . . .
H38A H 0.366155 0.642986 0.710566 0.060 Uiso 1 1 calc R U . . .
H38B H 0.324416 0.659779 0.754008 0.060 Uiso 1 1 calc R U . . .
C11 C 0.23228(9) 0.2198(2) 0.65656(13) 0.0599(7) Uani 1 1 d . . . . .
H11A H 0.201665 0.237670 0.671215 0.072 Uiso 1 1 calc R U . . .
H11B H 0.238361 0.159882 0.668411 0.072 Uiso 1 1 calc R U . . .
C51 C 0.37147(11) 0.13608(14) 0.59107(10) 0.0466(6) Uani 1 1 d . . . . .
H51A H 0.401119 0.169583 0.597548 0.056 Uiso 1 1 calc R U . . .
H51B H 0.344361 0.176084 0.589559 0.056 Uiso 1 1 calc R U . . .
C36 C 0.32473(8) 0.51684(15) 0.63794(9) 0.0401(5) Uani 1 1 d . . . . .
H36A H 0.313408 0.457846 0.630865 0.048 Uiso 1 1 calc R U . . .
H36B H 0.359419 0.517700 0.634549 0.048 Uiso 1 1 calc R U . . .
C15 C 0.60578(9) 0.33487(19) 0.59094(12) 0.0544(6) Uani 1 1 d . . . . .
H15 H 0.632979 0.374972 0.588384 0.065 Uiso 1 1 calc R U . . .
C35 C 0.29950(10) 0.57665(18) 0.58820(10) 0.0562(7) Uani 1 1 d . . . . .
H35 H 0.306922 0.557228 0.546708 0.067 Uiso 1 1 calc R U . . .
C43 C 0.24487(11) 0.5732(2) 0.59248(13) 0.0657(8) Uani 1 1 d . . . . .
H43A H 0.228600 0.610513 0.560937 0.079 Uiso 1 1 calc R U . . .
H43B H 0.233246 0.514423 0.585169 0.079 Uiso 1 1 calc R U . . .
C6 C 0.50654(12) 0.5765(2) 0.70189(13) 0.0708(9) Uani 1 1 d . . . . .
H6A H 0.537421 0.552916 0.718740 0.085 Uiso 1 1 calc R U . . .
H6B H 0.502151 0.632815 0.720651 0.085 Uiso 1 1 calc R U . . .
C47 C 0.32258(10) -0.0303(2) 0.57152(13) 0.0622(8) Uani 1 1 d . . . . .
H47 H 0.293041 -0.065279 0.564674 0.075 Uiso 1 1 calc R U . . .
C44 C 0.25888(8) 0.5437(2) 0.70689(12) 0.0547(6) Uani 1 1 d . . . . .
H44A H 0.247154 0.484762 0.700625 0.066 Uiso 1 1 calc R U . . .
H44B H 0.251155 0.562641 0.747856 0.066 Uiso 1 1 calc R U . . .
C58 C 0.62401(8) 0.2424(2) 0.58813(11) 0.0552(7) Uani 1 1 d . . . . .
H58A H 0.638893 0.233379 0.549467 0.066 Uiso 1 1 calc R U . . .
H58B H 0.648310 0.231940 0.622576 0.066 Uiso 1 1 calc R U . . .
C54 C 0.32457(10) 0.03521(19) 0.51831(11) 0.0598(7) Uani 1 1 d . . . . .
H54A H 0.323780 0.005012 0.478671 0.072 Uiso 1 1 calc R U . . .
H54B H 0.296747 0.073562 0.517187 0.072 Uiso 1 1 calc R U . . .
C5 C 0.50525(13) 0.5845(2) 0.63290(13) 0.0775(10) Uani 1 1 d . . . . .
H5A H 0.504646 0.645045 0.620573 0.093 Uiso 1 1 calc R U . . .
H5B H 0.533460 0.557170 0.617655 0.093 Uiso 1 1 calc R U . . .
C53 C 0.41391(10) 0.02763(18) 0.53042(11) 0.0552(6) Uani 1 1 d . . . . .
H53A H 0.413542 -0.003728 0.491285 0.066 Uiso 1 1 calc R U . . .
H53B H 0.443550 0.061359 0.535618 0.066 Uiso 1 1 calc R U . . .
C50 C 0.41270(9) 0.01282(16) 0.64586(10) 0.0471(5) Uani 1 1 d . . . . .
H50A H 0.442152 0.046788 0.652809 0.057 Uiso 1 1 calc R U . . .
H50B H 0.412104 -0.028760 0.679621 0.057 Uiso 1 1 calc R U . . .
C46 C 0.32236(9) 0.01889(19) 0.63385(12) 0.0530(6) Uani 1 1 d . . . . .
H46A H 0.294176 0.056380 0.632666 0.064 Uiso 1 1 calc R U . . .
H46B H 0.320368 -0.022231 0.667658 0.064 Uiso 1 1 calc R U . . .
C42 C 0.23372(9) 0.6030(2) 0.65684(13) 0.0655(8) Uani 1 1 d . . . . .
H42 H 0.198616 0.601121 0.659707 0.079 Uiso 1 1 calc R U . . .
C39 C 0.30572(11) 0.69936(18) 0.66278(14) 0.0639(8) Uani 1 1 d . . . . .
H39 H 0.317045 0.759111 0.669527 0.077 Uiso 1 1 calc R U . . .
C48 C 0.36691(12) -0.08945(16) 0.57366(13) 0.0623(8) Uani 1 1 d . . . . .
H48A H 0.365814 -0.130845 0.607464 0.075 Uiso 1 1 calc R U . . .
H48B H 0.366874 -0.121473 0.534841 0.075 Uiso 1 1 calc R U . . .
C40 C 0.31754(12) 0.66904(19) 0.59896(14) 0.0664(8) Uani 1 1 d . . . . .
H40A H 0.352291 0.671263 0.596240 0.080 Uiso 1 1 calc R U . . .
H40B H 0.302163 0.706910 0.567098 0.080 Uiso 1 1 calc R U . . .
C49 C 0.41257(10) -0.03552(17) 0.58347(11) 0.0532(6) Uani 1 1 d . . . . .
H49 H 0.440929 -0.073642 0.584452 0.064 Uiso 1 1 calc R U . . .
C41 C 0.25156(11) 0.6958(2) 0.66633(14) 0.0750(10) Uani 1 1 d . . . . .
H41A H 0.235572 0.732929 0.634430 0.090 Uiso 1 1 calc R U . . .
H41B H 0.243633 0.716789 0.706724 0.090 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
Eu1 I2 3.20728(14) . ?
Eu1 O3 2.6485(13) . ?
Eu1 O8 2.6510(13) . ?
Eu1 N29 2.6477(15) . ?
Eu1 N23 2.6327(14) . ?
Eu1 N31 2.5809(14) . ?
O3 C4 1.438(2) . ?
O3 C7 1.448(2) . ?
O8 C9 1.445(2) . ?
O8 C12 1.441(2) . ?
N29 N25 1.3779(19) . ?
N29 C28 1.336(2) . ?
N25 C26 1.347(2) . ?
N25 B24 1.546(3) . ?
N23 N19 1.371(2) . ?
N23 C22 1.336(2) . ?
N31 N30 1.372(2) . ?
N31 C32 1.344(2) . ?
N30 C 1.341(2) . ?
N30 B24 1.548(3) . ?
N19 C20 1.343(2) . ?
N19 B24 1.550(3) . ?
C28 C27 1.403(3) . ?
C28 C45 1.509(2) . ?
C32 C37 1.506(3) . ?
C32 C33 1.408(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.371(3) . ?
C27 H27 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C9 1.503(3) . ?
C10 C11 1.518(3) . ?
C22 C13 1.502(2) . ?
C22 C21 1.405(2) . ?
C37 C38 1.536(3) . ?
C37 C36 1.531(3) . ?
C37 C44 1.544(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C13 1.529(2) . ?
C18 C17 1.535(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.465(4) . ?
C13 C55 1.540(3) . ?
C13 C14 1.539(3) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C55 C56 1.533(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C6 1.452(3) . ?
C33 H33 0.9300 . ?
C33 C 1.361(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C H 0.9300 . ?
C17 H17 0.9800 . ?
C17 C16 1.526(4) . ?
C17 C57 1.517(4) . ?
C45 C51 1.532(3) . ?
C45 C50 1.542(3) . ?
C45 C46 1.525(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C11 1.494(3) . ?
C21 H21 0.9300 . ?
C21 C20 1.366(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.532(3) . ?
C20 H20 0.9300 . ?
C56 H56 0.9800 . ?
C56 C57 1.529(3) . ?
C56 C58 1.510(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C15 1.514(4) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
B24 H24 0.9800 . ?
C52 H52 0.9800 . ?
C52 C51 1.534(3) . ?
C52 C54 1.511(4) . ?
C52 C53 1.506(4) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 C39 1.541(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C35 1.534(3) . ?
C15 H15 0.9800 . ?
C15 C58 1.516(4) . ?
C35 H35 0.9800 . ?
C35 C43 1.525(4) . ?
C35 C40 1.521(4) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 C42 1.516(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C5 1.486(4) . ?
C47 H47 0.9800 . ?
C47 C54 1.532(4) . ?
C47 C46 1.541(3) . ?
C47 C48 1.527(4) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 C42 1.533(4) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C49 1.503(4) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C49 1.535(3) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C42 H42 0.9800 . ?
C42 C41 1.523(5) . ?
C39 H39 0.9800 . ?
C39 C40 1.513(4) . ?
C39 C41 1.510(4) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 C49 1.513(4) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C49 H49 0.9800 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?

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
O3 Eu1 I2 87.26(3) . . ?
O3 Eu1 O8 137.56(5) . . ?
O8 Eu1 I2 86.24(3) . . ?
N29 Eu1 I2 133.59(3) . . ?
N29 Eu1 O3 134.39(4) . . ?
N29 Eu1 O8 74.80(5) . . ?
N23 Eu1 I2 130.40(3) . . ?
N23 Eu1 O3 72.44(5) . . ?
N23 Eu1 O8 138.29(5) . . ?
N23 Eu1 N29 65.34(5) . . ?
N31 Eu1 I2 135.71(3) . . ?
N31 Eu1 O3 76.78(5) . . ?
N31 Eu1 O8 79.08(5) . . ?
N31 Eu1 N29 82.19(5) . . ?
N31 Eu1 N23 83.77(5) . . ?
C4 O3 Eu1 128.93(12) . . ?
C4 O3 C7 106.73(16) . . ?
C7 O3 Eu1 124.21(12) . . ?
C9 O8 Eu1 129.88(13) . . ?
C12 O8 Eu1 123.91(11) . . ?
C12 O8 C9 106.17(16) . . ?
N25 N29 Eu1 113.65(11) . . ?
C28 N29 Eu1 138.56(11) . . ?
C28 N29 N25 106.32(14) . . ?
N29 N25 B24 123.39(14) . . ?
C26 N25 N29 109.49(15) . . ?
C26 N25 B24 126.07(15) . . ?
N19 N23 Eu1 114.27(10) . . ?
C22 N23 Eu1 137.20(11) . . ?
C22 N23 N19 106.73(14) . . ?
N30 N31 Eu1 115.56(11) . . ?
C32 N31 Eu1 137.27(12) . . ?
C32 N31 N30 106.80(14) . . ?
N31 N30 B24 125.44(14) . . ?
C N30 N31 109.29(16) . . ?
C N30 B24 125.27(16) . . ?
N23 N19 B24 123.12(14) . . ?
C20 N19 N23 109.45(15) . . ?
C20 N19 B24 126.63(15) . . ?
N29 C28 C27 110.26(16) . . ?
N29 C28 C45 121.79(16) . . ?
C27 C28 C45 127.65(17) . . ?
N31 C32 C37 123.63(15) . . ?
N31 C32 C33 109.20(17) . . ?
C33 C32 C37 127.17(18) . . ?
N25 C26 H26 125.6 . . ?
N25 C26 C27 108.74(17) . . ?
C27 C26 H26 125.6 . . ?
C28 C27 H27 127.4 . . ?
C26 C27 C28 105.16(17) . . ?
C26 C27 H27 127.4 . . ?
H10A C10 H10B 108.9 . . ?
C9 C10 H10A 110.8 . . ?
C9 C10 H10B 110.8 . . ?
C9 C10 C11 104.52(19) . . ?
C11 C10 H10A 110.8 . . ?
C11 C10 H10B 110.8 . . ?
N23 C22 C13 121.77(15) . . ?
N23 C22 C21 109.67(16) . . ?
C21 C22 C13 128.43(17) . . ?
C32 C37 C38 110.12(16) . . ?
C32 C37 C36 112.25(16) . . ?
C32 C37 C44 110.17(18) . . ?
C38 C37 C44 108.02(19) . . ?
C36 C37 C38 108.39(19) . . ?
C36 C37 C44 107.76(17) . . ?
H18A C18 H18B 108.0 . . ?
C13 C18 H18A 109.4 . . ?
C13 C18 H18B 109.4 . . ?
C13 C18 C17 110.98(16) . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
O3 C4 H4A 110.4 . . ?
O3 C4 H4B 110.4 . . ?
O3 C4 C5 106.48(19) . . ?
H4A C4 H4B 108.6 . . ?
C5 C4 H4A 110.4 . . ?
C5 C4 H4B 110.4 . . ?
C22 C13 C18 111.79(15) . . ?
C22 C13 C55 109.91(16) . . ?
C22 C13 C14 110.56(16) . . ?
C18 C13 C55 107.33(16) . . ?
C18 C13 C14 108.98(18) . . ?
C14 C13 C55 108.16(17) . . ?
C13 C55 H55A 109.5 . . ?
C13 C55 H55B 109.5 . . ?
H55A C55 H55B 108.1 . . ?
C56 C55 C13 110.51(18) . . ?
C56 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
O3 C7 H7A 110.2 . . ?
O3 C7 H7B 110.2 . . ?
O3 C7 C6 107.36(18) . . ?
H7A C7 H7B 108.5 . . ?
C6 C7 H7A 110.2 . . ?
C6 C7 H7B 110.2 . . ?
C32 C33 H33 127.3 . . ?
C C33 C32 105.42(18) . . ?
C C33 H33 127.3 . . ?
O8 C9 C10 105.12(18) . . ?
O8 C9 H9A 110.7 . . ?
O8 C9 H9B 110.7 . . ?
C10 C9 H9A 110.7 . . ?
C10 C9 H9B 110.7 . . ?
H9A C9 H9B 108.8 . . ?
N30 C C33 109.29(17) . . ?
N30 C H 125.4 . . ?
C33 C H 125.4 . . ?
C18 C17 H17 109.5 . . ?
C16 C17 C18 109.4(2) . . ?
C16 C17 H17 109.5 . . ?
C57 C17 C18 109.0(2) . . ?
C57 C17 H17 109.5 . . ?
C57 C17 C16 109.9(2) . . ?
C28 C45 C51 112.55(16) . . ?
C28 C45 C50 108.56(15) . . ?
C28 C45 C46 111.32(16) . . ?
C51 C45 C50 106.53(18) . . ?
C46 C45 C51 108.84(19) . . ?
C46 C45 C50 108.86(19) . . ?
O8 C12 H12A 110.4 . . ?
O8 C12 H12B 110.4 . . ?
O8 C12 C11 106.70(18) . . ?
H12A C12 H12B 108.6 . . ?
C11 C12 H12A 110.4 . . ?
C11 C12 H12B 110.4 . . ?
C22 C21 H21 127.4 . . ?
C20 C21 C22 105.29(17) . . ?
C20 C21 H21 127.4 . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C15 C14 C13 110.20(18) . . ?
C15 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
N19 C20 C21 108.85(16) . . ?
N19 C20 H20 125.6 . . ?
C21 C20 H20 125.6 . . ?
C55 C56 H56 109.3 . . ?
C57 C56 C55 109.17(18) . . ?
C57 C56 H56 109.3 . . ?
C58 C56 C55 109.7(2) . . ?
C58 C56 H56 109.3 . . ?
C58 C56 C57 109.9(2) . . ?
C17 C16 H16A 109.7 . . ?
C17 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C15 C16 C17 109.6(2) . . ?
C15 C16 H16A 109.7 . . ?
C15 C16 H16B 109.7 . . ?
C17 C57 C56 108.99(19) . . ?
C17 C57 H57A 109.9 . . ?
C17 C57 H57B 109.9 . . ?
C56 C57 H57A 109.9 . . ?
C56 C57 H57B 109.9 . . ?
H57A C57 H57B 108.3 . . ?
N25 B24 N30 113.38(15) . . ?
N25 B24 N19 108.41(15) . . ?
N25 B24 H24 107.3 . . ?
N30 B24 N19 112.82(16) . . ?
N30 B24 H24 107.3 . . ?
N19 B24 H24 107.3 . . ?
C51 C52 H52 109.3 . . ?
C54 C52 H52 109.3 . . ?
C54 C52 C51 109.7(2) . . ?
C53 C52 H52 109.3 . . ?
C53 C52 C51 109.3(2) . . ?
C53 C52 C54 109.8(2) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 C39 110.65(19) . . ?
H38A C38 H38B 108.1 . . ?
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
C10 C11 H11A 110.6 . . ?
C10 C11 H11B 110.6 . . ?
C12 C11 C10 105.7(2) . . ?
C12 C11 H11A 110.6 . . ?
C12 C11 H11B 110.6 . . ?
H11A C11 H11B 108.7 . . ?
C45 C51 C52 111.14(17) . . ?
C45 C51 H51A 109.4 . . ?
C45 C51 H51B 109.4 . . ?
C52 C51 H51A 109.4 . . ?
C52 C51 H51B 109.4 . . ?
H51A C51 H51B 108.0 . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
C37 C36 C35 110.92(17) . . ?
H36A C36 H36B 108.0 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C14 C15 H15 109.3 . . ?
C16 C15 C14 109.5(2) . . ?
C16 C15 H15 109.3 . . ?
C16 C15 C58 109.6(2) . . ?
C58 C15 C14 109.7(2) . . ?
C58 C15 H15 109.3 . . ?
C36 C35 H35 109.4 . . ?
C43 C35 C36 109.3(2) . . ?
C43 C35 H35 109.4 . . ?
C40 C35 C36 109.5(2) . . ?
C40 C35 H35 109.4 . . ?
C40 C35 C43 109.8(2) . . ?
C35 C43 H43A 109.9 . . ?
C35 C43 H43B 109.9 . . ?
H43A C43 H43B 108.3 . . ?
C42 C43 C35 109.1(2) . . ?
C42 C43 H43A 109.9 . . ?
C42 C43 H43B 109.9 . . ?
C7 C6 H6A 110.3 . . ?
C7 C6 H6B 110.3 . . ?
C7 C6 C5 106.9(2) . . ?
H6A C6 H6B 108.6 . . ?
C5 C6 H6A 110.3 . . ?
C5 C6 H6B 110.3 . . ?
C54 C47 H47 109.6 . . ?
C54 C47 C46 109.2(2) . . ?
C46 C47 H47 109.6 . . ?
C48 C47 H47 109.6 . . ?
C48 C47 C54 109.6(2) . . ?
C48 C47 C46 109.4(2) . . ?
C37 C44 H44A 109.6 . . ?
C37 C44 H44B 109.6 . . ?
H44A C44 H44B 108.1 . . ?
C42 C44 C37 110.4(2) . . ?
C42 C44 H44A 109.6 . . ?
C42 C44 H44B 109.6 . . ?
C56 C58 C15 109.71(18) . . ?
C56 C58 H58A 109.7 . . ?
C56 C58 H58B 109.7 . . ?
C15 C58 H58A 109.7 . . ?
C15 C58 H58B 109.7 . . ?
H58A C58 H58B 108.2 . . ?
C52 C54 C47 108.90(19) . . ?
C52 C54 H54A 109.9 . . ?
C52 C54 H54B 109.9 . . ?
C47 C54 H54A 109.9 . . ?
C47 C54 H54B 109.9 . . ?
H54A C54 H54B 108.3 . . ?
C4 C5 C6 105.8(2) . . ?
C4 C5 H5A 110.6 . . ?
C4 C5 H5B 110.6 . . ?
C6 C5 H5A 110.6 . . ?
C6 C5 H5B 110.6 . . ?
H5A C5 H5B 108.7 . . ?
C52 C53 H53A 109.7 . . ?
C52 C53 H53B 109.7 . . ?
H53A C53 H53B 108.2 . . ?
C49 C53 C52 109.9(2) . . ?
C49 C53 H53A 109.7 . . ?
C49 C53 H53B 109.7 . . ?
C45 C50 H50A 109.6 . . ?
C45 C50 H50B 109.6 . . ?
H50A C50 H50B 108.1 . . ?
C49 C50 C45 110.47(17) . . ?
C49 C50 H50A 109.6 . . ?
C49 C50 H50B 109.6 . . ?
C45 C46 C47 110.40(19) . . ?
C45 C46 H46A 109.6 . . ?
C45 C46 H46B 109.6 . . ?
C47 C46 H46A 109.6 . . ?
C47 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
C43 C42 C44 110.1(2) . . ?
C43 C42 H42 109.3 . . ?
C43 C42 C41 108.5(3) . . ?
C44 C42 H42 109.3 . . ?
C41 C42 C44 110.2(2) . . ?
C41 C42 H42 109.3 . . ?
C38 C39 H39 109.5 . . ?
C40 C39 C38 109.2(2) . . ?
C40 C39 H39 109.5 . . ?
C41 C39 C38 110.0(3) . . ?
C41 C39 H39 109.5 . . ?
C41 C39 C40 109.2(2) . . ?
C47 C48 H48A 109.7 . . ?
C47 C48 H48B 109.7 . . ?
H48A C48 H48B 108.2 . . ?
C49 C48 C47 109.6(2) . . ?
C49 C48 H48A 109.7 . . ?
C49 C48 H48B 109.7 . . ?
C35 C40 H40A 109.8 . . ?
C35 C40 H40B 109.8 . . ?
C39 C40 C35 109.5(2) . . ?
C39 C40 H40A 109.8 . . ?
C39 C40 H40B 109.8 . . ?
H40A C40 H40B 108.2 . . ?
C53 C49 C50 110.5(2) . . ?
C53 C49 C48 109.0(2) . . ?
C53 C49 H49 109.4 . . ?
C50 C49 H49 109.4 . . ?
C48 C49 C50 109.1(2) . . ?
C48 C49 H49 109.4 . . ?
C42 C41 H41A 109.7 . . ?
C42 C41 H41B 109.7 . . ?
C39 C41 C42 109.8(2) . . ?
C39 C41 H41A 109.7 . . ?
C39 C41 H41B 109.7 . . ?
H41A C41 H41B 108.2 . . ?

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 O3 C4 C5 -157.10(19) . . . . ?
Eu1 O3 C7 C6 161.82(19) . . . . ?
Eu1 O8 C9 C10 147.04(15) . . . . ?
Eu1 O8 C12 C11 -152.13(17) . . . . ?
Eu1 N29 N25 C26 168.18(12) . . . . ?
Eu1 N29 N25 B24 -22.9(2) . . . . ?
Eu1 N29 C28 C27 -163.07(15) . . . . ?
Eu1 N29 C28 C45 22.8(3) . . . . ?
Eu1 N23 N19 C20 -166.44(14) . . . . ?
Eu1 N23 N19 B24 23.2(2) . . . . ?
Eu1 N23 C22 C13 -21.8(3) . . . . ?
Eu1 N23 C22 C21 162.05(15) . . . . ?
Eu1 N31 N30 C 174.77(13) . . . . ?
Eu1 N31 N30 B24 -5.6(2) . . . . ?
Eu1 N31 C32 C37 7.5(3) . . . . ?
Eu1 N31 C32 C33 -172.66(15) . . . . ?
O3 C4 C5 C6 -21.3(4) . . . . ?
O3 C7 C6 C5 8.4(4) . . . . ?
O8 C12 C11 C10 -12.8(3) . . . . ?
N29 N25 C26 C27 -0.3(2) . . . . ?
N29 N25 B24 N30 77.2(2) . . . . ?
N29 N25 B24 N19 -48.9(2) . . . . ?
N29 C28 C27 C26 -1.5(2) . . . . ?
N29 C28 C45 C51 -16.1(3) . . . . ?
N29 C28 C45 C50 101.6(2) . . . . ?
N29 C28 C45 C46 -138.6(2) . . . . ?
N25 N29 C28 C27 1.3(2) . . . . ?
N25 N29 C28 C45 -172.79(16) . . . . ?
N25 C26 C27 C28 1.1(2) . . . . ?
N23 N19 C20 C21 -0.6(3) . . . . ?
N23 N19 B24 N25 49.0(2) . . . . ?
N23 N19 B24 N30 -77.4(2) . . . . ?
N23 C22 C13 C18 13.3(3) . . . . ?
N23 C22 C13 C55 -105.8(2) . . . . ?
N23 C22 C13 C14 134.9(2) . . . . ?
N23 C22 C21 C20 0.6(3) . . . . ?
N31 N30 C C33 -0.6(2) . . . . ?
N31 N30 B24 N25 -58.1(2) . . . . ?
N31 N30 B24 N19 65.7(2) . . . . ?
N31 C32 C37 C38 -125.8(2) . . . . ?
N31 C32 C37 C36 -4.9(3) . . . . ?
N31 C32 C37 C44 115.2(2) . . . . ?
N31 C32 C33 C 0.1(3) . . . . ?
N30 N31 C32 C37 179.76(17) . . . . ?
N30 N31 C32 C33 -0.4(2) . . . . ?
N19 N23 C22 C13 175.19(17) . . . . ?
N19 N23 C22 C21 -0.9(2) . . . . ?
C28 N29 N25 C26 -0.6(2) . . . . ?
C28 N29 N25 B24 168.33(17) . . . . ?
C28 C45 C51 C52 178.86(19) . . . . ?
C28 C45 C50 C49 179.8(2) . . . . ?
C28 C45 C46 C47 -177.5(2) . . . . ?
C32 N31 N30 C 0.6(2) . . . . ?
C32 N31 N30 B24 -179.76(17) . . . . ?
C32 C37 C38 C39 -178.9(2) . . . . ?
C32 C37 C36 C35 -179.5(2) . . . . ?
C32 C37 C44 C42 178.9(2) . . . . ?
C32 C33 C N30 0.3(3) . . . . ?
C26 N25 B24 N30 -115.7(2) . . . . ?
C26 N25 B24 N19 118.21(19) . . . . ?
C27 C28 C45 C51 170.9(2) . . . . ?
C27 C28 C45 C50 -71.5(3) . . . . ?
C27 C28 C45 C46 48.3(3) . . . . ?
C22 N23 N19 C20 1.0(2) . . . . ?
C22 N23 N19 B24 -169.40(17) . . . . ?
C22 C13 C55 C56 -179.06(17) . . . . ?
C22 C13 C14 C15 178.85(19) . . . . ?
C22 C21 C20 N19 0.0(3) . . . . ?
C37 C32 C33 C 179.9(2) . . . . ?
C37 C38 C39 C40 -60.2(3) . . . . ?
C37 C38 C39 C41 59.7(3) . . . . ?
C37 C36 C35 C43 -60.7(3) . . . . ?
C37 C36 C35 C40 59.6(3) . . . . ?
C37 C44 C42 C43 60.1(3) . . . . ?
C37 C44 C42 C41 -59.6(3) . . . . ?
C18 C13 C55 C56 59.2(2) . . . . ?
C18 C13 C14 C15 -57.9(2) . . . . ?
C18 C17 C16 C15 60.0(3) . . . . ?
C18 C17 C57 C56 -60.7(3) . . . . ?
C4 O3 C7 C6 -21.9(3) . . . . ?
C13 C22 C21 C20 -175.2(2) . . . . ?
C13 C18 C17 C16 -58.8(3) . . . . ?
C13 C18 C17 C57 61.3(3) . . . . ?
C13 C55 C56 C57 -60.8(3) . . . . ?
C13 C55 C56 C58 59.7(2) . . . . ?
C13 C14 C15 C16 60.2(3) . . . . ?
C13 C14 C15 C58 -60.2(3) . . . . ?
C55 C13 C14 C15 58.5(2) . . . . ?
C55 C56 C57 C17 60.8(3) . . . . ?
C55 C56 C58 C15 -60.0(3) . . . . ?
C7 O3 C4 C5 26.9(3) . . . . ?
C7 C6 C5 C4 7.9(4) . . . . ?
C33 C32 C37 C38 54.4(3) . . . . ?
C33 C32 C37 C36 175.3(2) . . . . ?
C33 C32 C37 C44 -64.7(3) . . . . ?
C9 O8 C12 C11 30.2(3) . . . . ?
C9 C10 C11 C12 -8.3(3) . . . . ?
C N30 B24 N25 121.53(19) . . . . ?
C N30 B24 N19 -114.7(2) . . . . ?
C17 C18 C13 C22 179.98(19) . . . . ?
C17 C18 C13 C55 -59.4(2) . . . . ?
C17 C18 C13 C14 57.5(2) . . . . ?
C17 C16 C15 C14 -61.0(3) . . . . ?
C17 C16 C15 C58 59.4(3) . . . . ?
C45 C28 C27 C26 172.16(19) . . . . ?
C45 C50 C49 C53 59.7(3) . . . . ?
C45 C50 C49 C48 -60.2(3) . . . . ?
C12 O8 C9 C10 -35.5(3) . . . . ?
C21 C22 C13 C18 -171.4(2) . . . . ?
C21 C22 C13 C55 69.6(3) . . . . ?
C21 C22 C13 C14 -49.8(3) . . . . ?
C14 C13 C55 C56 -58.3(2) . . . . ?
C14 C15 C58 C56 60.4(3) . . . . ?
C20 N19 B24 N25 -119.6(2) . . . . ?
C20 N19 B24 N30 113.9(2) . . . . ?
C16 C17 C57 C56 59.1(2) . . . . ?
C16 C15 C58 C56 -59.9(3) . . . . ?
C57 C17 C16 C15 -59.6(3) . . . . ?
C57 C56 C58 C15 60.0(2) . . . . ?
B24 N25 C26 C27 -168.91(18) . . . . ?
B24 N30 C C33 179.79(19) . . . . ?
B24 N19 C20 C21 169.32(19) . . . . ?
C52 C53 C49 C50 -58.9(3) . . . . ?
C52 C53 C49 C48 61.0(3) . . . . ?
C38 C37 C36 C35 -57.7(3) . . . . ?
C38 C37 C44 C42 58.6(3) . . . . ?
C38 C39 C40 C35 60.8(3) . . . . ?
C38 C39 C41 C42 -58.9(3) . . . . ?
C11 C10 C9 O8 26.5(3) . . . . ?
C51 C45 C50 C49 -58.7(3) . . . . ?
C51 C45 C46 C47 57.8(3) . . . . ?
C51 C52 C54 C47 -60.5(3) . . . . ?
C51 C52 C53 C49 58.9(3) . . . . ?
C36 C37 C38 C39 57.9(3) . . . . ?
C36 C37 C44 C42 -58.3(3) . . . . ?
C36 C35 C43 C42 60.0(3) . . . . ?
C36 C35 C40 C39 -60.6(3) . . . . ?
C35 C43 C42 C44 -60.1(3) . . . . ?
C35 C43 C42 C41 60.5(3) . . . . ?
C43 C35 C40 C39 59.4(3) . . . . ?
C43 C42 C41 C39 -61.5(3) . . . . ?
C47 C48 C49 C53 -59.9(3) . . . . ?
C47 C48 C49 C50 60.9(3) . . . . ?
C44 C37 C38 C39 -58.5(3) . . . . ?
C44 C37 C36 C35 59.0(3) . . . . ?
C44 C42 C41 C39 59.2(3) . . . . ?
C58 C56 C57 C17 -59.6(2) . . . . ?
C54 C52 C51 C45 59.3(3) . . . . ?
C54 C52 C53 C49 -61.5(2) . . . . ?
C54 C47 C46 C45 -60.5(3) . . . . ?
C54 C47 C48 C49 59.1(3) . . . . ?
C53 C52 C51 C45 -61.2(3) . . . . ?
C53 C52 C54 C47 59.7(3) . . . . ?
C50 C45 C51 C52 60.0(3) . . . . ?
C50 C45 C46 C47 -57.9(3) . . . . ?
C46 C45 C51 C52 -57.2(3) . . . . ?
C46 C45 C50 C49 58.5(3) . . . . ?
C46 C47 C54 C52 61.2(3) . . . . ?
C46 C47 C48 C49 -60.5(3) . . . . ?
C48 C47 C54 C52 -58.6(3) . . . . ?
C48 C47 C46 C45 59.4(3) . . . . ?
C40 C35 C43 C42 -60.1(3) . . . . ?
C40 C39 C41 C42 61.0(3) . . . . ?
C41 C39 C40 C35 -59.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.067
_oxdiff_exptl_absorpt_empirical_full_min 0.686
