# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_7
_database_code_depnum_ccdc_archive 'CCDC 2326600'
loop_
_audit_author_name
_audit_author_address
'Hui Min'
;Hubei Normal University
China
;
_audit_update_record             
;
2024-03-11 deposited with the CCDC.	2024-05-07 downloaded from the CCDC.
;
_audit_creation_date             2024-01-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C27 H28 B3 Eu2 N O22, H2 O, 1[C3H7NO], 1.5[H2O]'
_chemical_formula_sum            'C30 H40 B3 Eu2 N2 O25.50'
_chemical_formula_weight         1172.99
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7707(12)
_cell_length_b                   14.1987(12)
_cell_length_c                   15.8985(14)
_cell_angle_alpha                98.717(2)
_cell_angle_beta                 106.354(2)
_cell_angle_gamma                114.260(2)
_cell_volume                     2401.3(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9835
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.41
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.670
_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 whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1158
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0735
_diffrn_reflns_av_unetI/netI     0.0890
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30232
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.094
_diffrn_reflns_theta_max         25.094
_diffrn_reflns_theta_min         2.472
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5846
_reflns_number_total             8419
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         4.183
_refine_diff_density_min         -1.714
_refine_diff_density_rms         0.224
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         8419
_refine_ls_number_restraints     325
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0685
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0988P)²+21.6073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1746
_refine_ls_wR_factor_ref         0.1928
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 N3B-C7B = N3B-C21B
 1.45 with sigma of 0.02
 C21B-C7B
 2.7 with sigma of 0.02
 C7B-C21B
 2.7 with sigma of 0.02
 C21B-O00G
 2.8 with sigma of 0.02
 O00G-C21B
 2.8 with sigma of 0.02
 O4-B11A \\sim O3-B11A \\sim O0-B11B \\sim O2-B11B
 with sigma of 0.02
 N3B-C21B \\sim N3B-C7B
 with sigma of 0.005
 C2-B11B \\sim C6-B11A
 with sigma of 0.02
3. Restrained planarity
 O0, O2, C2, B11B
 with sigma of 0.005
 C5B, O00G, N3B, C7B, C21B
 with sigma of 0.005
 O4, B11A, O3, C6, C4, C3
 with sigma of 0.005
 C7B, N3B, C21B, C5B, O00G
 with sigma of 0.005
 O2, O0, B11B, C2, C1, C0
 with sigma of 0.005
4. Uiso/Uaniso restraints and constraints
O0 \\sim C1 \\sim O2 \\sim C0 \\sim C2 \\sim B11B \\sim C3 \\sim C4 \\sim C6
\\sim B11A \\sim O3 \\sim O4: within 2A with sigma of 0.005 and sigma for
terminal atoms of 0.01 within 2A
C018 \\sim C21B: within 6.4A with sigma of 0.005 and sigma for terminal atoms
of 0.01 within 6.4A
C011 \\sim C5B: within 4.2A with sigma of 0.005 and sigma for terminal atoms of
0.01 within 4.2A
C016 \\sim N3B: within 5.7A with sigma of 0.005 and sigma for terminal atoms of
0.01 within 5.7A
Uanis(O00G) \\sim Ueq, Uanis(N3B) \\sim Ueq, Uanis(C5B) \\sim Ueq, Uanis(C7B)
\\sim Ueq, Uanis(C21B) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C4) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C6) \\sim
Ueq, Uanis(C0) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(B11A) \\sim Ueq, Uanis(O4)
\\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(B11B) \\sim Ueq, Uanis(O2) \\sim Ueq,
Uanis(O0) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C00N) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 O00G, N3B, C5B, C7B, C21B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: O0(0.5) H0(0.5) C1(0.5) H1(0.5) O2(0.5) H2(0.5) C0(0.5) H0A(0.5)
 C2(0.5) B11B(0.5) C3(0.5) H3(0.5) C4(0.5) H4(0.5) C6(0.5) B11A(0.5) O3(0.5)
 H3A(0.5) O4(0.5) H4A(0.5)
7.a Riding coordinates:
 O00D(H00D), O00H(H00A,H00B), O00M(H00C,H00E), O00R(H00R), O017(H017), O0(H0),
 O2(H2), O1(H1A,H1B), O3(H3A), C7B(H7BA,H7BB,H7BC)
7.b Rotating group:
 O00P(H00G,H00H)
7.c Aromatic/amide H refined with riding coordinates:
 C00L(H00L), C00U(H00U), C00X(H00X), C00Y(H00Y), C012(H012), C014(H014),
 C016(H016), C1(H1), C0(H0A), C3(H3), C4(H4), C5B(H5B)
7.d Idealised Me refined as rotating group:
 C21B(H21A,H21B,H21C)
7.e Idealised tetrahedral OH refined as rotating group:
 O00F(H00F), O4(H4A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Eu01 Eu 0.33972(5) -0.04742(4) 0.01976(3) 0.02071(19) Uani 1 1 d . . . . .
Eu02 Eu 0.43308(5) 0.34450(4) 0.49781(3) 0.02426(19) Uani 1 1 d . . . . .
O003 O 0.7467(7) 0.6776(7) 0.6220(5) 0.041(2) Uani 1 1 d . . . . .
O004 O 0.6520(8) 0.1785(7) 0.0761(6) 0.044(2) Uani 1 1 d . . . . .
O005 O 0.5704(7) 0.1176(6) -0.1315(5) 0.0331(19) Uani 1 1 d . . . . .
O006 O 0.6133(8) 0.5023(7) 0.5844(5) 0.042(2) Uani 1 1 d . . . . .
O007 O 0.6221(7) 0.5549(6) 0.4153(6) 0.041(2) Uani 1 1 d . . . . .
O008 O 0.4962(8) 0.1235(6) 0.1251(6) 0.043(2) Uani 1 1 d . . . . .
O009 O 1.1635(7) 0.7729(6) 0.9996(5) 0.0332(19) Uani 1 1 d . . . . .
O00A O 0.4334(7) 0.0333(7) -0.0757(5) 0.036(2) Uani 1 1 d . . . . .
O00B O 1.1307(7) 0.8574(6) 0.8998(6) 0.043(2) Uani 1 1 d . . . . .
O00C O 0.5059(9) 0.3757(7) 0.3773(6) 0.044(2) Uani 1 1 d . . . . .
O00D O 0.8125(8) 0.4028(7) 0.9681(6) 0.050(2) Uani 1 1 d . . . . .
H00D H 0.825770 0.351714 0.981535 0.075 Uiso 1 1 d R U . . .
O00E O 0.2653(8) 0.2169(7) -0.4625(6) 0.049(2) Uani 1 1 d . . . . .
O00F O 0.7075(9) 0.2911(7) 0.8128(6) 0.055(3) Uani 1 1 d . . . . .
H00F H 0.676429 0.246044 0.837276 0.082 Uiso 1 1 calc R U . . .
O00G O 0.2569(9) 0.0741(8) -0.0067(6) 0.056(2) Uani 1 1 d D U . . .
O00H O 0.2664(9) -0.0217(7) 0.1407(6) 0.054(3) Uani 1 1 d . . . . .
H00A H 0.264834 0.038351 0.148311 0.081 Uiso 1 1 d R U . . .
H00B H 0.218864 -0.074569 0.147401 0.081 Uiso 1 1 d R U . . .
O00I O 0.4600(9) 0.2817(9) -0.3714(7) 0.064(3) Uani 1 1 d . . . . .
C00J C 0.6372(11) 0.3098(9) 0.1773(8) 0.035(3) Uani 1 1 d . . . . .
C00L C 0.5907(11) 0.3315(9) 0.2441(8) 0.036(3) Uani 1 1 d . . . . .
H00L H 0.532009 0.274381 0.254895 0.043 Uiso 1 1 calc R U . . .
O00M O 0.3442(10) 0.1623(7) 0.3965(7) 0.069(3) Uani 1 1 d . . . . .
H00C H 0.318053 0.160517 0.331889 0.104 Uiso 1 1 d R U . . .
H00E H 0.374983 0.114117 0.418719 0.104 Uiso 1 1 d R U . . .
C00N C 0.5914(10) 0.2020(10) 0.1201(8) 0.040(3) Uani 1 1 d . U . . .
C00O C 0.7101(12) 0.5870(10) 0.6395(8) 0.038(3) Uani 1 1 d . . . . .
O00P O 0.6019(12) 0.2959(10) 0.5178(8) 0.082(4) Uani 1 1 d . . . . .
H00G H 0.668796 0.317499 0.569284 0.123 Uiso 1 1 d R U . . .
H00H H 0.609880 0.252803 0.475172 0.123 Uiso 1 1 d R U . . .
C00Q C 0.3445(13) 0.2238(10) -0.3903(9) 0.043(3) Uani 1 1 d . . . . .
O00R O 0.8933(11) 0.5907(8) 0.1149(8) 0.082(4) Uani 1 1 d . . . . .
H00R H 0.868621 0.550929 0.068545 0.123 Uiso 1 1 d R U . . .
C00S C 0.6317(11) 0.4372(9) 0.2937(8) 0.035(3) Uani 1 1 d . . . . .
C00T C 0.4616(11) 0.0794(9) -0.1344(8) 0.034(3) Uani 1 1 d . . . . .
C00U C 0.9024(10) 0.6756(9) 0.7829(7) 0.032(3) Uani 1 1 d . . . . .
H00U H 0.931280 0.736413 0.763240 0.038 Uiso 1 1 calc R U . . .
C00V C 0.5853(14) 0.4597(10) 0.3678(9) 0.045(4) Uani 1 1 d . . . . .
C00W C 0.7888(10) 0.5831(9) 0.7276(8) 0.033(3) Uani 1 1 d . . . . .
C00X C 0.7127(13) 0.5216(10) 0.2737(9) 0.047(3) Uani 1 1 d . . . . .
H00X H 0.736139 0.592320 0.305278 0.056 Uiso 1 1 calc R U . . .
C00Y C 0.9275(11) 0.5853(9) 0.8957(8) 0.032(3) Uani 1 1 d . . . . .
H00Y H 0.974318 0.586577 0.952855 0.038 Uiso 1 1 calc R U . . .
C00Z C 0.9708(10) 0.6748(9) 0.8676(8) 0.034(3) Uani 1 1 d . . . . .
C010 C 1.0957(11) 0.7747(9) 0.9250(7) 0.032(3) Uani 1 1 d . . . . .
C011 C 0.3642(13) 0.0887(12) -0.2054(10) 0.050(3) Uani 1 1 d . U . . .
C012 C 0.7497(11) 0.4932(10) 0.7569(8) 0.039(3) Uani 1 1 d . . . . .
H012 H 0.676645 0.430744 0.718531 0.046 Uiso 1 1 calc R U . . .
C013 C 0.8174(10) 0.4935(10) 0.8429(8) 0.033(3) Uani 1 1 d . . . . .
C014 C 0.7200(13) 0.3953(10) 0.1590(10) 0.051(4) Uani 1 1 d . . . . .
H014 H 0.749596 0.380890 0.114121 0.061 Uiso 1 1 calc R U . . .
C015 C 0.7614(12) 0.5049(10) 0.2069(9) 0.046(3) Uani 1 1 d . . . . .
C016 C 0.3980(17) 0.1525(13) -0.2605(12) 0.073(4) Uani 1 1 d . U . . .
H016 H 0.481379 0.191878 -0.251190 0.087 Uiso 1 1 calc R U . . .
O017 O 0.9036(14) 0.7032(9) 0.2390(9) 0.116(6) Uani 1 1 d . . . . .
H017 H 0.878300 0.719050 0.280732 0.174 Uiso 1 1 d R U . . .
C018 C 0.3069(14) 0.1581(13) -0.3306(11) 0.060(4) Uani 1 1 d . U . . .
B019 B 0.7740(12) 0.3900(11) 0.8751(10) 0.033(3) Uani 1 1 d . . . . .
O0 O -0.0850(16) -0.0065(13) -0.3365(11) 0.051(3) Uani 0.5 1 d D U P A 2
H0 H -0.166420 -0.050122 -0.368880 0.077 Uiso 0.5 1 d R U P A 2
C1 C 0.241(3) 0.045(2) -0.206(2) 0.050(3) Uani 0.5 1 d . U P A 2
H1 H 0.223032 0.012116 -0.162131 0.060 Uiso 0.5 1 calc R U P A 2
O2 O -0.0204(15) -0.0680(12) -0.2179(11) 0.045(3) Uani 0.5 1 d D U P A 2
H2 H 0.026394 -0.078736 -0.180096 0.068 Uiso 0.5 1 d R U P A 2
C0 C 0.176(3) 0.111(2) -0.331(2) 0.050(3) Uani 0.5 1 d . U P A 2
H0A H 0.116719 0.123159 -0.370467 0.060 Uiso 0.5 1 calc R U P A 2
C2 C 0.144(2) 0.0515(15) -0.2728(17) 0.051(3) Uani 0.5 1 d D U P A 2
B01J B 0.8556(17) 0.6023(13) 0.1856(12) 0.054(5) Uani 1 1 d . . . . .
B11B B 0.0074(17) -0.0110(9) -0.2748(9) 0.054(3) Uani 0.5 1 d D U P A 2
O1 O 0.2586(11) 0.1685(9) 0.2043(7) 0.076(3) Uani 1 1 d . . . . .
H1A H 0.259159 0.194435 0.149910 0.113 Uiso 1 1 d R U . . .
H1B H 0.185699 0.129915 0.198130 0.113 Uiso 1 1 d R U . . .
C3 C 0.188(3) 0.092(2) -0.352(2) 0.051(3) Uani 0.5 1 d . U P A 1
H3 H 0.128115 0.090962 -0.402158 0.061 Uiso 0.5 1 calc R U P A 1
C4 C 0.240(3) 0.021(2) -0.227(2) 0.051(3) Uani 0.5 1 d . U P A 1
H4 H 0.214997 -0.024874 -0.192942 0.061 Uiso 0.5 1 calc R U P A 1
C6 C 0.152(2) 0.0226(16) -0.3008(17) 0.052(3) Uani 0.5 1 d D U P A 1
B11A B 0.0062(16) -0.0487(11) -0.3366(10) 0.055(3) Uani 0.5 1 d D U P A 1
O3 O -0.0725(18) -0.0431(15) -0.4077(13) 0.080(4) Uani 0.5 1 d D U P A 1
H3A H -0.123129 -0.083355 -0.457395 0.120 Uiso 0.5 1 d R U P A 1
O4 O -0.0434(19) -0.1183(14) -0.2956(13) 0.072(4) Uani 0.5 1 d D U P A 1
H4A H -0.088450 -0.178855 -0.333317 0.108 Uiso 0.5 1 calc R U P A 1
N3B N 0.2558(12) 0.2442(11) 0.0304(6) 0.099(4) Uani 1 1 d D U . . .
C5B C 0.3045(16) 0.1750(14) 0.0295(8) 0.071(3) Uani 1 1 d . U . . .
H5B H 0.389994 0.208912 0.061944 0.085 Uiso 1 1 calc R U . . .
C7B C 0.3452(17) 0.3595(13) 0.0820(11) 0.135(7) Uani 1 1 d D U . . .
H7BA H 0.382937 0.366404 0.145604 0.202 Uiso 1 1 d R U . . .
H7BB H 0.302667 0.401874 0.076904 0.202 Uiso 1 1 d R U . . .
H7BC H 0.408307 0.385114 0.057034 0.202 Uiso 1 1 d R U . . .
C21B C 0.1198(12) 0.1839(13) -0.0227(12) 0.120(5) Uani 1 1 d D U . . .
H21A H 0.098775 0.214435 -0.070621 0.180 Uiso 1 1 calc R U . . .
H21B H 0.077535 0.189187 0.017631 0.180 Uiso 1 1 calc R U . . .
H21C H 0.095033 0.109046 -0.049455 0.180 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
Eu01 Eu01 4.0176(11) 2_655 ?
Eu01 O004 2.278(9) 2_655 ?
Eu01 O005 2.408(7) 2_655 ?
Eu01 O008 2.363(8) . ?
Eu01 O009 2.511(7) 1_444 ?
Eu01 O00A 2.340(7) . ?
Eu01 O00A 2.691(8) 2_655 ?
Eu01 O00B 2.445(8) 1_444 ?
Eu01 O00G 2.396(9) . ?
Eu01 O00H 2.406(8) . ?
Eu01 H00A 2.8069 . ?
Eu01 C00T 2.926(12) 2_655 ?
Eu01 C010 2.845(11) 1_444 ?
Eu02 Eu02 4.0080(11) 2_666 ?
Eu02 O003 2.400(8) 2_666 ?
Eu02 O006 2.877(8) 2_666 ?
Eu02 O006 2.292(8) . ?
Eu02 O007 2.285(9) 2_666 ?
Eu02 O00C 2.378(8) . ?
Eu02 O00E 2.488(9) 1_556 ?
Eu02 O00I 2.376(9) 1_556 ?
Eu02 O00M 2.423(9) . ?
Eu02 C00O 2.985(12) 2_666 ?
Eu02 O00P 2.475(11) . ?
Eu02 C00Q 2.802(13) 1_556 ?
O003 C00O 1.281(14) . ?
O004 C00N 1.283(14) . ?
O005 C00T 1.251(14) . ?
O006 C00O 1.261(15) . ?
O007 C00V 1.259(14) . ?
O008 C00N 1.302(14) . ?
O009 C010 1.268(13) . ?
O00A C00T 1.268(13) . ?
O00B C010 1.245(13) . ?
O00C C00V 1.273(14) . ?
O00D H00D 0.8530 . ?
O00D B019 1.378(16) . ?
O00E C00Q 1.257(14) . ?
O00F H00F 0.8200 . ?
O00F B019 1.341(16) . ?
O00G C5B 1.261(18) . ?
O00H H00A 0.8516 . ?
O00H H00B 0.7938 . ?
O00I C00Q 1.273(16) . ?
C00J C00L 1.408(16) . ?
C00J C00N 1.433(16) . ?
C00J C014 1.379(17) . ?
C00L H00L 0.9300 . ?
C00L C00S 1.383(16) . ?
O00M H00C 0.9796 . ?
O00M H00E 0.9807 . ?
C00O C00W 1.501(16) . ?
O00P H00G 0.8992 . ?
O00P H00H 0.9001 . ?
C00Q C018 1.468(18) . ?
O00R H00R 0.7474 . ?
O00R B01J 1.356(19) . ?
C00S C00V 1.508(17) . ?
C00S C00X 1.375(17) . ?
C00T C011 1.493(18) . ?
C00U H00U 0.9300 . ?
C00U C00W 1.403(16) . ?
C00U C00Z 1.388(15) . ?
C00W C012 1.372(16) . ?
C00X H00X 0.9300 . ?
C00X C015 1.409(18) . ?
C00Y H00Y 0.9300 . ?
C00Y C00Z 1.360(16) . ?
C00Y C013 1.370(16) . ?
C00Z C010 1.522(16) . ?
C011 C016 1.381(19) . ?
C011 C1 1.43(4) . ?
C011 C4 1.38(4) . ?
C012 H012 0.9300 . ?
C012 C013 1.396(16) . ?
C013 B019 1.565(18) . ?
C014 H014 0.9300 . ?
C014 C015 1.421(18) . ?
C015 B01J 1.57(2) . ?
C016 H016 0.9300 . ?
C016 C018 1.41(2) . ?
O017 H017 0.8542 . ?
O017 B01J 1.329(19) . ?
C018 C0 1.53(4) . ?
C018 C3 1.32(4) . ?
O0 H0 0.8959 . ?
O0 B11B 1.337(16) . ?
C1 H1 0.9300 . ?
C1 C2 1.43(5) . ?
O2 H2 0.8022 . ?
O2 B11B 1.328(16) . ?
C0 H0A 0.9300 . ?
C0 C2 1.38(4) . ?
C2 B11B 1.59(2) . ?
O1 H1A 0.9912 . ?
O1 H1B 0.8303 . ?
C3 H3 0.9300 . ?
C3 C6 1.39(4) . ?
C4 H4 0.9300 . ?
C4 C6 1.38(5) . ?
C6 B11A 1.58(2) . ?
B11A O3 1.323(16) . ?
B11A O4 1.311(16) . ?
O3 H3A 0.8000 . ?
O4 H4A 0.8200 . ?
N3B C5B 1.36(2) . ?
N3B C7B 1.479(9) . ?
N3B C21B 1.481(9) . ?
C5B H5B 0.9300 . ?
C7B H7BA 0.9601 . ?
C7B H7BB 0.9600 . ?
C7B H7BC 0.9600 . ?
C21B H21A 0.9600 . ?
C21B H21B 0.9600 . ?
C21B H21C 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
Eu01 Eu01 H00A 134.5 2_655 . ?
O004 Eu01 Eu01 65.0(2) 2_655 2_655 ?
O004 Eu01 O005 80.5(3) 2_655 2_655 ?
O004 Eu01 O008 131.9(3) 2_655 . ?
O004 Eu01 O009 72.2(3) 2_655 1_444 ?
O004 Eu01 O00A 72.9(3) 2_655 . ?
O004 Eu01 O00A 68.0(3) 2_655 2_655 ?
O004 Eu01 O00B 77.4(3) 2_655 1_444 ?
O004 Eu01 O00G 133.1(3) 2_655 . ?
O004 Eu01 O00H 141.2(3) 2_655 . ?
O004 Eu01 H00A 156.9 2_655 . ?
O004 Eu01 C00T 74.9(3) 2_655 2_655 ?
O004 Eu01 C010 71.2(3) 2_655 1_444 ?
O005 Eu01 Eu01 84.18(18) 2_655 2_655 ?
O005 Eu01 O009 75.2(2) 2_655 1_444 ?
O005 Eu01 O00A 50.3(2) 2_655 2_655 ?
O005 Eu01 O00B 126.9(3) 2_655 1_444 ?
O005 Eu01 H00A 88.7 2_655 . ?
O005 Eu01 C00T 24.8(3) 2_655 2_655 ?
O005 Eu01 C010 101.1(3) 2_655 1_444 ?
O008 Eu01 Eu01 68.2(2) . 2_655 ?
O008 Eu01 O005 84.1(3) . 2_655 ?
O008 Eu01 O009 145.3(3) . 1_444 ?
O008 Eu01 O00A 67.2(3) . 2_655 ?
O008 Eu01 O00B 143.8(3) . 1_444 ?
O008 Eu01 O00G 75.1(3) . . ?
O008 Eu01 O00H 75.5(3) . . ?
O008 Eu01 H00A 66.4 . . ?
O008 Eu01 C00T 72.4(3) . 2_655 ?
O008 Eu01 C010 156.9(3) . 1_444 ?
O009 Eu01 Eu01 134.88(19) 1_444 2_655 ?
O009 Eu01 O00A 115.6(2) 1_444 2_655 ?
O009 Eu01 H00A 85.3 1_444 . ?
O009 Eu01 C00T 96.5(3) 1_444 2_655 ?
O009 Eu01 C010 26.5(3) 1_444 1_444 ?
O00A Eu01 Eu01 34.08(15) 2_655 2_655 ?
O00A Eu01 Eu01 40.13(19) . 2_655 ?
O00A Eu01 O005 124.2(3) . 2_655 ?
O00A Eu01 O008 79.0(3) . . ?
O00A Eu01 O009 135.7(3) . 1_444 ?
O00A Eu01 O00A 74.2(3) . 2_655 ?
O00A Eu01 O00B 94.1(3) . 1_444 ?
O00A Eu01 O00G 78.1(3) . . ?
O00A Eu01 O00H 145.8(3) . . ?
O00A Eu01 H00A 119.6 2_655 . ?
O00A Eu01 H00A 129.4 . . ?
O00A Eu01 C00T 99.9(3) . 2_655 ?
O00A Eu01 C00T 25.7(3) 2_655 2_655 ?
O00A Eu01 C010 132.9(3) 2_655 1_444 ?
O00A Eu01 C010 114.6(3) . 1_444 ?
O00B Eu01 Eu01 126.3(2) 1_444 2_655 ?
O00B Eu01 O009 52.2(2) 1_444 1_444 ?
O00B Eu01 O00A 145.3(3) 1_444 2_655 ?
O00B Eu01 H00A 93.3 1_444 . ?
O00B Eu01 C00T 143.5(3) 1_444 2_655 ?
O00B Eu01 C010 25.8(3) 1_444 1_444 ?
O00G Eu01 Eu01 111.4(2) . 2_655 ?
O00G Eu01 O005 146.1(3) . 2_655 ?
O00G Eu01 O009 107.8(3) . 1_444 ?
O00G Eu01 O00A 136.4(3) . 2_655 ?
O00G Eu01 O00B 68.7(3) . 1_444 ?
O00G Eu01 O00H 73.7(3) . . ?
O00G Eu01 H00A 58.6 . . ?
O00G Eu01 C00T 147.2(3) . 2_655 ?
O00G Eu01 C010 89.2(3) . 1_444 ?
O00H Eu01 Eu01 139.8(2) . 2_655 ?
O00H Eu01 O005 75.4(3) . 2_655 ?
O00H Eu01 O009 72.6(3) . 1_444 ?
O00H Eu01 O00A 114.9(3) . 2_655 ?
O00H Eu01 O00B 93.3(3) . 1_444 ?
O00H Eu01 H00A 16.6 . . ?
O00H Eu01 C00T 93.7(3) . 2_655 ?
O00H Eu01 C010 84.1(3) . 1_444 ?
C00T Eu01 Eu01 59.7(2) 2_655 2_655 ?
C00T Eu01 H00A 103.2 2_655 . ?
C010 Eu01 Eu01 134.3(2) 1_444 2_655 ?
C010 Eu01 H00A 91.1 1_444 . ?
C010 Eu01 C00T 120.2(3) 1_444 2_655 ?
O003 Eu02 Eu02 82.95(19) 2_666 2_666 ?
O003 Eu02 O006 48.8(2) 2_666 2_666 ?
O003 Eu02 O00E 79.7(3) 2_666 1_556 ?
O003 Eu02 O00M 75.8(3) 2_666 . ?
O003 Eu02 C00O 24.6(3) 2_666 2_666 ?
O003 Eu02 O00P 139.8(4) 2_666 . ?
O003 Eu02 C00Q 106.3(3) 2_666 1_556 ?
O006 Eu02 Eu02 44.8(2) . 2_666 ?
O006 Eu02 Eu02 34.15(16) 2_666 2_666 ?
O006 Eu02 O003 127.7(3) . 2_666 ?
O006 Eu02 O006 78.9(3) . 2_666 ?
O006 Eu02 O00C 83.0(3) . . ?
O006 Eu02 O00E 132.5(3) . 1_556 ?
O006 Eu02 O00I 88.1(3) . 1_556 ?
O006 Eu02 O00M 145.2(4) . . ?
O006 Eu02 C00O 24.8(3) 2_666 2_666 ?
O006 Eu02 C00O 103.6(3) . 2_666 ?
O006 Eu02 O00P 74.5(4) . . ?
O006 Eu02 C00Q 110.9(3) . 1_556 ?
O007 Eu02 Eu02 64.92(19) 2_666 2_666 ?
O007 Eu02 O003 81.7(3) 2_666 2_666 ?
O007 Eu02 O006 74.6(3) 2_666 . ?
O007 Eu02 O006 67.7(3) 2_666 2_666 ?
O007 Eu02 O00C 130.2(3) 2_666 . ?
O007 Eu02 O00E 72.3(3) 2_666 1_556 ?
O007 Eu02 O00I 80.3(4) 2_666 1_556 ?
O007 Eu02 O00M 139.2(3) 2_666 . ?
O007 Eu02 C00O 76.8(3) 2_666 2_666 ?
O007 Eu02 O00P 138.4(4) 2_666 . ?
O007 Eu02 C00Q 74.2(3) 2_666 1_556 ?
O00C Eu02 Eu02 67.8(2) . 2_666 ?
O00C Eu02 O003 77.8(3) . 2_666 ?
O00C Eu02 O006 64.6(3) . 2_666 ?
O00C Eu02 O00E 144.4(3) . 1_556 ?
O00C Eu02 O00M 77.5(3) . . ?
O00C Eu02 C00O 66.0(3) . 2_666 ?
O00C Eu02 O00P 72.0(3) . . ?
O00C Eu02 C00Q 155.3(3) . 1_556 ?
O00E Eu02 Eu02 135.6(2) 1_556 2_666 ?
O00E Eu02 O006 117.2(3) 1_556 2_666 ?
O00E Eu02 C00O 101.0(3) 1_556 2_666 ?
O00E Eu02 C00Q 26.7(3) 1_556 1_556 ?
O00I Eu02 Eu02 125.9(3) 1_556 2_666 ?
O00I Eu02 O003 133.1(3) 1_556 2_666 ?
O00I Eu02 O006 147.6(3) 1_556 2_666 ?
O00I Eu02 O00C 143.5(3) 1_556 . ?
O00I Eu02 O00E 53.5(3) 1_556 1_556 ?
O00I Eu02 O00M 90.6(4) 1_556 . ?
O00I Eu02 C00O 150.3(4) 1_556 2_666 ?
O00I Eu02 O00P 71.4(4) 1_556 . ?
O00I Eu02 C00Q 26.9(3) 1_556 1_556 ?
O00M Eu02 Eu02 142.4(3) . 2_666 ?
O00M Eu02 O006 116.7(3) . 2_666 ?
O00M Eu02 O00E 70.5(4) . 1_556 ?
O00M Eu02 C00O 94.5(4) . 2_666 ?
O00M Eu02 O00P 72.2(4) . . ?
O00M Eu02 C00Q 79.9(4) . 1_556 ?
C00O Eu02 Eu02 58.8(2) 2_666 2_666 ?
O00P Eu02 Eu02 108.6(3) . 2_666 ?
O00P Eu02 O006 131.1(3) . 2_666 ?
O00P Eu02 O00E 111.0(4) . 1_556 ?
O00P Eu02 C00O 137.8(4) . 2_666 ?
O00P Eu02 C00Q 91.7(4) . 1_556 ?
C00Q Eu02 Eu02 136.4(3) 1_556 2_666 ?
C00Q Eu02 O006 136.4(3) 1_556 2_666 ?
C00Q Eu02 C00O 126.1(4) 1_556 2_666 ?
C00O O003 Eu02 104.2(7) . 2_666 ?
C00N O004 Eu01 147.1(8) . 2_655 ?
C00T O005 Eu01 101.5(6) . 2_655 ?
Eu02 O006 Eu02 101.1(3) . 2_666 ?
C00O O006 Eu02 173.8(8) . . ?
C00O O006 Eu02 82.4(7) . 2_666 ?
C00V O007 Eu02 142.3(8) . 2_666 ?
C00N O008 Eu01 132.9(7) . . ?
C010 O009 Eu01 91.7(6) . 1_666 ?
Eu01 O00A Eu01 105.8(3) . 2_655 ?
C00T O00A Eu01 166.6(8) . . ?
C00T O00A Eu01 87.6(7) . 2_655 ?
C010 O00B Eu01 95.3(7) . 1_666 ?
C00V O00C Eu02 133.0(8) . . ?
B019 O00D H00D 112.9 . . ?
C00Q O00E Eu02 90.7(8) . 1_554 ?
B019 O00F H00F 109.5 . . ?
C5B O00G Eu01 130.5(10) . . ?
Eu01 O00H H00A 109.4 . . ?
Eu01 O00H H00B 117.1 . . ?
H00A O00H H00B 125.0 . . ?
C00Q O00I Eu02 95.5(7) . 1_554 ?
C00L C00J C00N 122.3(11) . . ?
C014 C00J C00L 119.2(10) . . ?
C014 C00J C00N 118.2(11) . . ?
C00J C00L H00L 119.8 . . ?
C00S C00L C00J 120.5(11) . . ?
C00S C00L H00L 119.8 . . ?
Eu02 O00M H00C 110.8 . . ?
Eu02 O00M H00E 118.0 . . ?
H00C O00M H00E 123.2 . . ?
O004 C00N O008 118.9(11) . . ?
O004 C00N C00J 122.0(10) . . ?
O008 C00N C00J 118.1(10) . . ?
O003 C00O Eu02 51.2(6) . 2_666 ?
O003 C00O C00W 117.7(11) . . ?
O006 C00O Eu02 72.8(6) . 2_666 ?
O006 C00O O003 122.1(11) . . ?
O006 C00O C00W 120.2(10) . . ?
C00W C00O Eu02 162.8(9) . 2_666 ?
Eu02 O00P H00G 127.7 . . ?
Eu02 O00P H00H 127.6 . . ?
H00G O00P H00H 104.7 . . ?
O00E C00Q Eu02 62.6(7) . 1_554 ?
O00E C00Q O00I 120.2(12) . . ?
O00E C00Q C018 121.0(13) . . ?
O00I C00Q Eu02 57.6(6) . 1_554 ?
O00I C00Q C018 118.6(12) . . ?
C018 C00Q Eu02 175.0(10) . 1_554 ?
B01J O00R H00R 137.4 . . ?
C00L C00S C00V 120.1(11) . . ?
C00X C00S C00L 119.6(11) . . ?
C00X C00S C00V 120.2(11) . . ?
O005 C00T Eu01 53.8(6) . 2_655 ?
O005 C00T O00A 119.9(10) . . ?
O005 C00T C011 120.8(10) . . ?
O00A C00T Eu01 66.8(6) . 2_655 ?
O00A C00T C011 119.3(11) . . ?
C011 C00T Eu01 170.9(9) . 2_655 ?
C00W C00U H00U 120.6 . . ?
C00Z C00U H00U 120.6 . . ?
C00Z C00U C00W 118.8(11) . . ?
O007 C00V O00C 123.3(11) . . ?
O007 C00V C00S 121.8(11) . . ?
O00C C00V C00S 114.9(11) . . ?
C00U C00W C00O 118.8(10) . . ?
C012 C00W C00O 121.5(11) . . ?
C012 C00W C00U 119.6(10) . . ?
C00S C00X H00X 118.8 . . ?
C00S C00X C015 122.4(12) . . ?
C015 C00X H00X 118.8 . . ?
C00Z C00Y H00Y 118.7 . . ?
C00Z C00Y C013 122.5(11) . . ?
C013 C00Y H00Y 118.7 . . ?
C00U C00Z C010 117.8(10) . . ?
C00Y C00Z C00U 120.0(11) . . ?
C00Y C00Z C010 122.1(10) . . ?
O009 C010 Eu01 61.9(6) . 1_666 ?
O009 C010 C00Z 118.9(10) . . ?
O00B C010 Eu01 58.8(6) . 1_666 ?
O00B C010 O009 120.2(10) . . ?
O00B C010 C00Z 120.9(10) . . ?
C00Z C010 Eu01 173.8(9) . 1_666 ?
C016 C011 C00T 119.4(13) . . ?
C016 C011 C1 120(2) . . ?
C1 C011 C00T 119.5(18) . . ?
C4 C011 C00T 120.9(18) . . ?
C4 C011 C016 119(2) . . ?
C00W C012 H012 119.3 . . ?
C00W C012 C013 121.4(11) . . ?
C013 C012 H012 119.3 . . ?
C00Y C013 C012 117.6(11) . . ?
C00Y C013 B019 121.1(10) . . ?
C012 C013 B019 121.2(10) . . ?
C00J C014 H014 119.1 . . ?
C00J C014 C015 121.7(12) . . ?
C015 C014 H014 119.1 . . ?
C00X C015 C014 116.5(11) . . ?
C00X C015 B01J 121.9(12) . . ?
C014 C015 B01J 121.6(12) . . ?
C011 C016 H016 119.9 . . ?
C011 C016 C018 120.2(16) . . ?
C018 C016 H016 119.9 . . ?
B01J O017 H017 122.5 . . ?
C00Q C018 C0 122.2(17) . . ?
C016 C018 C00Q 119.3(14) . . ?
C016 C018 C0 117.7(18) . . ?
C3 C018 C00Q 119.8(19) . . ?
C3 C018 C016 120(2) . . ?
O00D B019 C013 118.5(11) . . ?
O00F B019 O00D 121.2(11) . . ?
O00F B019 C013 120.1(11) . . ?
B11B O0 H0 136.9 . . ?
C011 C1 H1 119.1 . . ?
C2 C1 C011 122(3) . . ?
C2 C1 H1 119.1 . . ?
B11B O2 H2 126.5 . . ?
C018 C0 H0A 119.6 . . ?
C2 C0 C018 121(3) . . ?
C2 C0 H0A 119.6 . . ?
C1 C2 B11B 118(2) . . ?
C0 C2 C1 118(3) . . ?
C0 C2 B11B 125(3) . . ?
O00R B01J C015 124.1(13) . . ?
O017 B01J O00R 116.1(13) . . ?
O017 B01J C015 119.9(13) . . ?
O0 B11B C2 118.9(17) . . ?
O2 B11B O0 117.8(18) . . ?
O2 B11B C2 123.3(18) . . ?
H1A O1 H1B 109.4 . . ?
C018 C3 H3 119.8 . . ?
C018 C3 C6 120(3) . . ?
C6 C3 H3 119.8 . . ?
C011 C4 H4 120.2 . . ?
C011 C4 C6 120(3) . . ?
C6 C4 H4 120.2 . . ?
C3 C6 B11A 112(2) . . ?
C4 C6 C3 121(3) . . ?
C4 C6 B11A 127(3) . . ?
O3 B11A C6 123.6(18) . . ?
O4 B11A C6 120.3(19) . . ?
O4 B11A O3 116.1(18) . . ?
B11A O3 H3A 136.2 . . ?
B11A O4 H4A 109.5 . . ?
C5B N3B C7B 116.0(14) . . ?
C5B N3B C21B 110.2(12) . . ?
C7B N3B C21B 133.8(14) . . ?
O00G C5B N3B 132.8(16) . . ?
O00G C5B H5B 113.6 . . ?
N3B C5B H5B 113.6 . . ?
N3B C7B H7BA 109.3 . . ?
N3B C7B H7BB 109.7 . . ?
N3B C7B H7BC 109.4 . . ?
H7BA C7B H7BB 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
N3B C21B H21A 109.5 . . ?
N3B C21B H21B 109.5 . . ?
N3B C21B H21C 109.5 . . ?
H21A C21B H21B 109.5 . . ?
H21A C21B H21C 109.5 . . ?
H21B C21B H21C 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
Eu01 O004 C00N O008 10(2) 2_655 . . . ?
Eu01 O004 C00N C00J 178.7(10) 2_655 . . . ?
Eu01 O005 C00T O00A 9.7(13) 2_655 . . . ?
Eu01 O005 C00T C011 -171.2(10) 2_655 . . . ?
Eu01 O008 C00N O004 -36.8(18) . . . . ?
Eu01 O008 C00N C00J 154.0(9) . . . . ?
Eu01 O009 C010 O00B -7.7(12) 1_666 . . . ?
Eu01 O009 C010 C00Z 173.0(10) 1_666 . . . ?
Eu01 O00A C00T Eu01 174(4) . . . 2_655 ?
Eu01 O00A C00T O005 166(3) . . . . ?
Eu01 O00A C00T O005 -8.5(11) 2_655 . . . ?
Eu01 O00A C00T C011 172.4(11) 2_655 . . . ?
Eu01 O00A C00T C011 -13(4) . . . . ?
Eu01 O00B C010 O009 7.9(13) 1_666 . . . ?
Eu01 O00B C010 C00Z -172.8(10) 1_666 . . . ?
Eu01 O00G C5B N3B -165.6(8) . . . . ?
Eu02 O003 C00O O006 17.8(15) 2_666 . . . ?
Eu02 O003 C00O C00W -164.2(9) 2_666 . . . ?
Eu02 O006 C00O O003 -14.4(12) 2_666 . . . ?
Eu02 O006 C00O C00W 167.6(12) 2_666 . . . ?
Eu02 O007 C00V O00C -22(2) 2_666 . . . ?
Eu02 O007 C00V C00S 156.8(10) 2_666 . . . ?
Eu02 O00C C00V O007 -19(2) . . . . ?
Eu02 O00C C00V C00S 162.2(8) . . . . ?
Eu02 O00E C00Q O00I -1.7(13) 1_554 . . . ?
Eu02 O00E C00Q C018 -176.1(12) 1_554 . . . ?
Eu02 O00I C00Q O00E 1.8(14) 1_554 . . . ?
Eu02 O00I C00Q C018 176.4(12) 1_554 . . . ?
Eu02 C00O C00W C00U -50(3) 2_666 . . . ?
Eu02 C00O C00W C012 127(3) 2_666 . . . ?
O003 C00O C00W C00U -4.6(18) . . . . ?
O003 C00O C00W C012 172.5(12) . . . . ?
O005 C00T C011 C016 -9(2) . . . . ?
O005 C00T C011 C1 -179.2(15) . . . . ?
O005 C00T C011 C4 160.4(16) . . . . ?
O006 C00O C00W C00U 173.5(12) . . . . ?
O006 C00O C00W C012 -9(2) . . . . ?
O00A C00T C011 C016 170.4(14) . . . . ?
O00A C00T C011 C1 0(2) . . . . ?
O00A C00T C011 C4 -21(2) . . . . ?
O00E C00Q C018 C016 168.2(14) . . . . ?
O00E C00Q C018 C0 -22(2) . . . . ?
O00E C00Q C018 C3 -1(2) . . . . ?
O00I C00Q C018 C016 -6(2) . . . . ?
O00I C00Q C018 C0 163.0(16) . . . . ?
O00I C00Q C018 C3 -175.3(17) . . . . ?
C00J C00L C00S C00V -177.5(12) . . . . ?
C00J C00L C00S C00X 4.0(19) . . . . ?
C00J C014 C015 C00X 0(2) . . . . ?
C00J C014 C015 B01J -179.8(14) . . . . ?
C00L C00J C00N O004 -162.6(12) . . . . ?
C00L C00J C00N O008 6(2) . . . . ?
C00L C00J C014 C015 1(2) . . . . ?
C00L C00S C00V O007 178.9(12) . . . . ?
C00L C00S C00V O00C -2.0(19) . . . . ?
C00L C00S C00X C015 -3(2) . . . . ?
C00N C00J C00L C00S -175.8(12) . . . . ?
C00N C00J C014 C015 174.3(13) . . . . ?
C00O C00W C012 C013 -173.7(12) . . . . ?
C00Q C018 C0 C2 -178.9(12) . . . . ?
C00Q C018 C3 C6 174.6(12) . . . . ?
C00S C00X C015 C014 2(2) . . . . ?
C00S C00X C015 B01J -179.1(14) . . . . ?
C00T C011 C016 C018 177.0(14) . . . . ?
C00T C011 C1 C2 -179.7(11) . . . . ?
C00T C011 C4 C6 -172.2(11) . . . . ?
C00U C00W C012 C013 3(2) . . . . ?
C00U C00Z C010 O009 -175.3(11) . . . . ?
C00U C00Z C010 O00B 5.4(18) . . . . ?
C00V C00S C00X C015 178.2(13) . . . . ?
C00W C00U C00Z C00Y 0.0(19) . . . . ?
C00W C00U C00Z C010 178.0(11) . . . . ?
C00W C012 C013 C00Y -2.9(19) . . . . ?
C00W C012 C013 B019 -178.6(12) . . . . ?
C00X C00S C00V O007 -3(2) . . . . ?
C00X C00S C00V O00C 176.5(12) . . . . ?
C00X C015 B01J O00R -171.6(16) . . . . ?
C00X C015 B01J O017 9(3) . . . . ?
C00Y C00Z C010 O009 2.7(18) . . . . ?
C00Y C00Z C010 O00B -176.6(12) . . . . ?
C00Y C013 B019 O00D 28.5(18) . . . . ?
C00Y C013 B019 O00F -147.4(13) . . . . ?
C00Z C00U C00W C00O 175.3(11) . . . . ?
C00Z C00U C00W C012 -1.9(19) . . . . ?
C00Z C00Y C013 C012 0.9(19) . . . . ?
C00Z C00Y C013 B019 176.6(12) . . . . ?
C011 C016 C018 C00Q -178.1(15) . . . . ?
C011 C016 C018 C0 12(3) . . . . ?
C011 C016 C018 C3 -9(3) . . . . ?
C011 C1 C2 C0 -6.9(17) . . . . ?
C011 C1 C2 B11B 173.1(17) . . . . ?
C011 C4 C6 C3 -0.3(18) . . . . ?
C011 C4 C6 B11A 179.6(17) . . . . ?
C012 C013 B019 O00D -156.0(12) . . . . ?
C012 C013 B019 O00F 28.1(19) . . . . ?
C013 C00Y C00Z C00U 0.5(19) . . . . ?
C013 C00Y C00Z C010 -177.5(12) . . . . ?
C014 C00J C00L C00S -2.9(19) . . . . ?
C014 C00J C00N O004 24(2) . . . . ?
C014 C00J C00N O008 -166.8(13) . . . . ?
C014 C015 B01J O00R 8(3) . . . . ?
C014 C015 B01J O017 -171.9(17) . . . . ?
C016 C011 C1 C2 10(2) . . . . ?
C016 C011 C4 C6 -3(2) . . . . ?
C016 C018 C0 C2 -9(2) . . . . ?
C016 C018 C3 C6 6(3) . . . . ?
C018 C0 C2 C1 6.7(16) . . . . ?
C018 C0 C2 B11B -173.3(16) . . . . ?
C018 C3 C6 C4 -1.1(19) . . . . ?
C018 C3 C6 B11A 179.0(19) . . . . ?
C1 C011 C016 C018 -13(3) . . . . ?
C1 C2 B11B O0 -179.99(18) . . . . ?
C1 C2 B11B O2 0.0(3) . . . . ?
C0 C2 B11B O0 0.0(3) . . . . ?
C0 C2 B11B O2 -180.0(2) . . . . ?
C3 C6 B11A O3 -0.1(3) . . . . ?
C3 C6 B11A O4 180.0(2) . . . . ?
C4 C011 C016 C018 8(3) . . . . ?
C4 C6 B11A O3 -179.9(3) . . . . ?
C4 C6 B11A O4 0.1(4) . . . . ?
C7B N3B C5B O00G 179.99(11) . . . . ?
C21B N3B C5B O00G -0.02(13) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.566 -0.066 0.500 603.9 84.5 '2 C3H7NO'
2 0.500 0.500 1.000 119.4 26.1 '3 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT420_7                   
;
PROBLEM: D-H Bond Without Acceptor  O00H     --H00B     .     Please Check 
RESPONSE: Acceptors are oxygen atoms of the masked lattice molecules.
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_f@7
_database_code_depnum_ccdc_archive 'CCDC 2326601'
loop_
_audit_author_name
_audit_author_address
'Hui Min'
;Hubei Normal University
China
;
_audit_update_record             
;
2024-03-11 deposited with the CCDC.	2024-05-07 downloaded from the CCDC.
;
_audit_creation_date             2024-01-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C27 H26 B3 Eu2 F0.25 N O22, 2(H2 O), 1[C3H7NO], 4.5[H2O], 0.5[H2O]'
_chemical_formula_sum            'C30 H47 B3 Eu2 F0.25 N2 O30'
_chemical_formula_weight         1256.79
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6702(3)
_cell_length_b                   14.2350(3)
_cell_length_c                   16.0136(3)
_cell_angle_alpha                98.801(2)
_cell_angle_beta                 105.956(2)
_cell_angle_gamma                113.980(2)
_cell_volume                     2419.31(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10184
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.41
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.664
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0525
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34122
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.896
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6596
_reflns_number_total             8437
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.386
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         8437
_refine_ls_number_restraints     509
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0410
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0681P)²+5.7418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1184
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 N1-C8 \\sim N1A-C8A
 with sigma of 0.02
 C8-C10 \\sim C8A-C10A
 with sigma of 0.04
 C2-C8 \\sim C2A-C8A
 with sigma of 0.04
 N1-C8 \\sim N1-C10
 with sigma of 0.01
 O42-C2 \\sim O42A-C2A
 with sigma of 0.02
 C2-C10 \\sim C2A-C10A
 with sigma of 0.04
 Eu9-O42 \\sim Eu9-O42A
 with sigma of 0.02
 N1-C2 \\sim N1A-C2A
 with sigma of 0.02
 N1-C10 \\sim N1A-C10A
 with sigma of 0.02
 Eu9-C2 \\sim Eu9-C2A
 with sigma of 0.04
 O42-N1 \\sim O42A-N1A
 with sigma of 0.02
3. Restrained planarity
 O42A, C2A, N1A, C8A, C10A
 with sigma of 0.1
 C8A, C10A, C2A, O42A
 with sigma of 0.01
 C8_$1, N1_$1, C10_$1, C2_$1, O42_$1
 with sigma of 0.01
 C50, B1, C51, C49
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
O47: within 7.25A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 7.25A
O8 \\sim O53: within 7.42A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 7.42A
O23 \\sim O54: within 5.1A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 5.1A
O42 \\sim O53: within 5.5A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 5.5A
O42 \\sim O54: within 3.62A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 3.62A
C36B \\sim C37B \\sim C38B \\sim B39B \\sim B39A \\sim C36A \\sim C38A \\sim
C37A \\sim O41B \\sim O40B \\sim O41A \\sim O40A: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01 within 2A
O24 \\sim O40B: within 7.35A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 7.35A
O42 \\sim N1 \\sim C2 \\sim C8 \\sim C10 \\sim O42A \\sim C2A \\sim N1A \\sim
C10A \\sim C8A: within 2A with sigma of 0.005 and sigma for terminal atoms of
0.01 within 2A
C38B \\sim C10: within 9.2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 9.2A
C38B \\sim C8: within 10.53A with sigma of 0.01 and sigma for terminal atoms of
0.01 within 10.53A
C19: within 3.42A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 3.42A
C36B: within 4.78A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 4.78A
O1: within 6.4A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
6.4A
B33 \\sim B1: within 15.3A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 15.3A
C49 \\sim C10: within 4.35A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 4.35A
C1 \\sim C10: within 5.18A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 5.18A
O23: within 7.2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
7.2A
O17: within 10.35A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 10.35A
C4: within 4.79A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
4.79A
O8: within 5.5A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
5.5A
O2: within 8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 8A
C11 \\sim C10: within 5.82A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 5.82A
Uanis(O4) \\sim Ueq, Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O41B) \\sim Ueq, Uanis(C36B) \\sim Ueq, Uanis(C37B) \\sim Ueq, Uanis(C19)
\\sim Ueq, Uanis(C38B) \\sim Ueq, Uanis(O40B) \\sim Ueq, Uanis(B39B) \\sim Ueq,
Uanis(B39A) \\sim Ueq, Uanis(O41A) \\sim Ueq, Uanis(O40A) \\sim Ueq,
Uanis(C36A) \\sim Ueq, Uanis(C38A) \\sim Ueq, Uanis(C37A) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(O40B) \\sim Ueq, Uanis(O41B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O41B) \\sim Ueq, Uanis(C36B) \\sim Ueq, Uanis(C37B) \\sim Ueq,
Uanis(C38B) \\sim Ueq, Uanis(O40B) \\sim Ueq, Uanis(B39B) \\sim Ueq,
Uanis(B39A) \\sim Ueq, Uanis(O41A) \\sim Ueq, Uanis(O40A) \\sim Ueq,
Uanis(C36A) \\sim Ueq, Uanis(C38A) \\sim Ueq, Uanis(C37A) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(F11) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O42) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C8) \\sim
Ueq, Uanis(C10) \\sim Ueq, Uanis(O42A) \\sim Ueq, Uanis(C2A) \\sim Ueq,
Uanis(N1A) \\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C8A) \\sim Ueq: with sigma
of 0.1 and sigma for terminal atoms of 0.2
Uanis(B1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O42A) \\sim Ueq, Uanis(O42) \\sim Ueq: with sigma of 0.002 and sigma for
terminal atoms of 0.004
Uanis(O16) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
5. Rigid body (RIGU) restrains
 O42
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C2, N1, C10, C8, O42
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
6. Others
 Fixed Sof: O41B(0.5) H41B(0.5) O42(0.75) C36B(0.5) C37B(0.5) C38B(0.5)
 O40B(0.5) H40B(0.5) B39B(0.5) N1(0.75) C2(0.75) H2(0.75) C8(0.75) H8A(0.75)
 H8B(0.75) H8C(0.75) C10(0.75) H10A(0.75) H10B(0.75) H10C(0.75) F11(0.25)
 O42A(0.25) C2A(0.25) H2A(0.25) N1A(0.25) C10A(0.25) H10D(0.25) H10E(0.25)
 H10F(0.25) C8A(0.25) H8AA(0.25) H8AB(0.25) H8AC(0.25) B39A(0.5) O41A(0.5)
 H41A(0.5) O40A(0.5) H40A(0.5) C36A(0.5) C38A(0.5) C37A(0.5) O4(0.5) H4A(0.5)
 H4B(0.5) O3(0.5) H3A(0.5) H3B(0.5)
7.a Riding coordinates:
 O41B(H41B), O21(H21A,H21B), O56(H56A,H56B), O47(H47A,H47B), O22(H22A,H22B),
 O53(H53), O40B(H40B), O54(H54), C8A(H8AA,H8AB,H8AC), O41A(H41A), O40A(H40A),
 O4(H4A,H4B), O3(H3A,H3B)
7.b Aromatic/amide H refined with riding coordinates:
 C30(H30), C28(H28), C13(H13), C4(H4), C32(H32), C51(H51), C49(H49), C2(H2),
 C2A(H2A)
7.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C10(H10A,H10B,H10C), C10A(H10D,H10E,H10F)
7.d Idealised tetrahedral OH refined as rotating group:
 O35(H35), O34(H34)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Eu9 Eu 0.33755(3) -0.04626(2) 0.51992(2) 0.01684(10) Uani 1 1 d D . . . .
Eu1 Eu 0.43377(3) 0.34361(2) 0.99667(2) 0.02098(11) Uani 1 1 d . . . . .
O10 O 0.4275(4) -0.1173(4) 0.6337(3) 0.0280(11) Uani 1 1 d . . . . .
O48 O -0.1597(4) 0.2269(3) 0.5003(3) 0.0265(10) Uani 1 1 d . . . . .
O35 O 0.1872(5) 0.6009(4) 0.5358(3) 0.0383(12) Uani 1 1 d . . . . .
H35 H 0.195244 0.657983 0.526231 0.057 Uiso 1 1 calc R U . . .
O23 O 0.5645(4) -0.0346(4) 0.5760(3) 0.0330(12) Uani 1 1 d . U . . .
O55 O 0.7363(4) -0.2132(4) 0.9625(3) 0.0409(13) Uani 1 1 d . . . . .
O2 O 0.6210(5) 0.5546(4) 0.9068(3) 0.0403(13) Uani 1 1 d . . . . .
O34 O 0.2901(5) 0.7125(4) 0.6902(3) 0.0419(13) Uani 1 1 d . . . . .
H34 H 0.313065 0.759246 0.665347 0.063 Uiso 1 1 calc R U . . .
O24 O 0.4947(4) 0.1252(4) 0.6233(3) 0.0437(14) Uani 1 1 d . U . . .
O17 O 0.2516(4) 0.3231(4) 0.8793(3) 0.0335(12) Uani 1 1 d . . . . .
O19 O 0.3821(4) 0.4970(4) 0.9170(3) 0.0355(12) Uani 1 1 d . . . . .
O25 O -0.1267(4) 0.1437(4) 0.6017(3) 0.0364(12) Uani 1 1 d . . . . .
O41B O 0.8846(12) 0.5905(12) 0.6057(10) 0.039(3) Uani 0.5 1 d . U P A 2
H41B H 0.852964 0.534597 0.573292 0.058 Uiso 0.5 1 d R U P A 2
C11 C 0.5367(6) -0.0801(5) 0.6339(4) 0.0239(15) Uani 1 1 d . . . . .
O16 O 0.5405(5) -0.2716(5) 0.8769(4) 0.0494(14) Uani 1 1 d . U . . .
O42 O 0.2505(9) 0.0752(7) 0.4951(9) 0.0531(17) Uani 0.75 1 d D U P B 1
O21 O 0.3449(5) 0.1612(4) 0.8948(4) 0.0539(16) Uani 1 1 d . . . . .
H21A H 0.301011 0.158251 0.836839 0.081 Uiso 1 1 d R U . . .
H21B H 0.280561 0.099121 0.888079 0.081 Uiso 1 1 d R U . . .
C30 C 0.0712(6) 0.4174(5) 0.6056(4) 0.0253(15) Uani 1 1 d . . . . .
H30 H 0.026598 0.415671 0.548061 0.030 Uiso 1 1 calc R U . . .
O8 O 0.6567(5) 0.1832(4) 0.5785(4) 0.0475(15) Uani 1 1 d . U . . .
O1 O 0.5062(5) 0.3774(4) 0.8757(3) 0.0433(14) Uani 1 1 d . . . . .
O56 O 0.2556(6) 0.1704(5) 0.7023(4) 0.0601(17) Uani 1 1 d . . . . .
H56A H 0.229810 0.173359 0.636428 0.090 Uiso 1 1 d R U . . .
H56B H 0.185550 0.155679 0.713448 0.090 Uiso 1 1 d R U . . .
C28 C 0.0981(6) 0.3264(5) 0.7183(4) 0.0252(15) Uani 1 1 d . . . . .
H28 H 0.071285 0.264957 0.737006 0.030 Uiso 1 1 calc R U . . .
O47 O 0.2668(5) -0.0183(4) 0.6437(4) 0.0485(15) Uani 1 1 d . . . . .
H47A H 0.256492 0.037899 0.657415 0.073 Uiso 1 1 d R U . . .
H47B H 0.190462 -0.070371 0.631405 0.073 Uiso 1 1 d R U . . .
C13 C 0.6043(6) -0.1499(6) 0.7634(5) 0.0320(17) Uani 1 1 d . . . . .
H13 H 0.521055 -0.189807 0.755034 0.038 Uiso 1 1 calc R U . . .
C26 C -0.0933(6) 0.2259(5) 0.5752(4) 0.0229(14) Uani 1 1 d . . . . .
C4 C 0.5913(6) 0.3327(5) 0.7422(4) 0.0301(16) Uani 1 1 d . . . . .
H4 H 0.531675 0.275712 0.752346 0.036 Uiso 1 1 calc R U . . .
C29 C 0.2093(6) 0.4191(5) 0.7754(4) 0.0240(14) Uani 1 1 d . . . . .
C27 C 0.0281(6) 0.3255(5) 0.6348(4) 0.0244(15) Uani 1 1 d . . . . .
C31 C 0.1801(6) 0.5113(5) 0.6617(4) 0.0245(15) Uani 1 1 d . . . . .
C32 C 0.2481(5) 0.5097(5) 0.7460(4) 0.0276(16) Uani 1 1 d . . . . .
H32 H 0.321581 0.571234 0.783575 0.033 Uiso 1 1 calc R U . . .
C7 C 0.6407(6) 0.3128(5) 0.6775(5) 0.0342(18) Uani 1 1 d . . . . .
C21 C 0.5936(7) 0.1979(6) 0.6227(5) 0.0366(19) Uani 1 1 d . . . . .
C14 C 0.6961(6) -0.1533(6) 0.8323(5) 0.0368(18) Uani 1 1 d . . . . .
C36B C 0.708(2) 0.528(2) 0.7708(19) 0.035(2) Uani 0.5 1 d . U P A 2
O22 O 0.6016(6) 0.2912(6) 1.0109(5) 0.072(2) Uani 1 1 d . . . . .
H22A H 0.617468 0.262899 0.968345 0.108 Uiso 1 1 d R U . . .
H22B H 0.656428 0.298069 1.059555 0.108 Uiso 1 1 d R U . . .
C37B C 0.7576(19) 0.507(2) 0.7009(16) 0.035(2) Uani 0.5 1 d . U P A 2
C15 C 0.6567(6) -0.2161(6) 0.8938(5) 0.0347(17) Uani 1 1 d . . . . .
C18 C 0.2846(6) 0.4131(6) 0.8627(4) 0.0291(16) Uani 1 1 d . . . . .
C19 C 0.6324(7) 0.4394(6) 0.7915(5) 0.0325(17) Uani 1 1 d . U . . .
B33 B 0.2229(7) 0.6149(6) 0.6270(5) 0.0289(18) Uani 1 1 d . . . . .
C1 C 0.6364(6) -0.0868(6) 0.7064(5) 0.0309(16) Uani 1 1 d . . . . .
C38B C 0.720(2) 0.402(2) 0.6531(17) 0.036(2) Uani 0.5 1 d . U P A 2
O53 O 1.0867(6) 0.0082(7) 0.8393(6) 0.100(3) Uani 1 1 d . U . . .
H53 H 1.108500 -0.050649 0.825741 0.150 Uiso 1 1 d R U . . .
O40B O 0.8962(11) 0.7037(10) 0.7312(8) 0.046(3) Uani 0.5 1 d . U P A 2
H40B H 0.948765 0.759380 0.711700 0.069 Uiso 0.5 1 d R U P A 2
C3 C 0.5831(7) 0.4603(6) 0.8639(5) 0.0319(17) Uani 1 1 d . . . . .
C50 C 0.8537(8) -0.0417(5) 0.7799(6) 0.070(3) Uani 1 1 d . . . . .
C51 C 0.8179(8) -0.0987(7) 0.8414(6) 0.069(3) Uani 1 1 d . . . . .
H51 H 0.879154 -0.098801 0.889250 0.082 Uiso 1 1 calc R U . . .
C49 C 0.7602(7) -0.0333(7) 0.7156(6) 0.058(3) Uani 1 1 d . . . . .
H49 H 0.781552 0.009199 0.678208 0.070 Uiso 1 1 calc R U . . .
O54 O 1.0205(7) 0.0660(6) 0.7158(6) 0.097(3) Uani 1 1 d . U . C 2
H54 H 0.964124 0.070713 0.662828 0.145 Uiso 1 1 d R U . C 2
B39B B 0.8450(18) 0.6018(18) 0.6766(14) 0.038(2) Uani 0.5 1 d . U P A 2
N1 N 0.2484(9) 0.2427(8) 0.5266(5) 0.070(2) Uani 0.75 1 d D U P B 1
C2 C 0.2999(12) 0.1771(10) 0.5295(7) 0.065(2) Uani 0.75 1 d D U P B 1
H2 H 0.385435 0.211256 0.561859 0.078 Uiso 0.75 1 calc R U P B 1
C8 C 0.3321(12) 0.3628(10) 0.5747(8) 0.074(3) Uani 0.75 1 d D U P B 1
H8A H 0.389463 0.391683 0.545454 0.110 Uiso 0.75 1 calc R U P B 1
H8B H 0.377519 0.373683 0.637293 0.110 Uiso 0.75 1 calc R U P B 1
H8C H 0.281978 0.398704 0.571853 0.110 Uiso 0.75 1 calc R U P B 1
C10 C 0.1085(12) 0.1785(13) 0.4723(10) 0.102(4) Uani 0.75 1 d D U P B 1
H10A H 0.089844 0.111515 0.432261 0.153 Uiso 0.75 1 calc R U P B 1
H10B H 0.082260 0.219315 0.437102 0.153 Uiso 0.75 1 calc R U P B 1
H10C H 0.065396 0.164113 0.513417 0.153 Uiso 0.75 1 calc R U P B 1
B1 B 0.9912(12) 0.0123(11) 0.7792(10) 0.075(4) Uani 1 1 d . U . . .
F11 F 1.044(2) 0.138(2) 0.8197(19) 0.095(8) Uani 0.25 1 d . U P C 1
O42A O 0.265(2) 0.0849(18) 0.492(3) 0.058(2) Uani 0.25 1 d D U P B 2
C2A C 0.317(2) 0.1689(19) 0.4671(18) 0.067(2) Uani 0.25 1 d D U P B 2
H2A H 0.335748 0.155197 0.415983 0.080 Uiso 0.25 1 calc R U P B 2
N1A N 0.348(2) 0.2730(17) 0.5024(17) 0.073(3) Uani 0.25 1 d D U P B 2
C10A C 0.321(3) 0.286(3) 0.5895(19) 0.049(4) Uani 0.25 1 d D U P B 2
H10D H 0.341007 0.240826 0.622355 0.073 Uiso 0.25 1 calc R U P B 2
H10E H 0.233887 0.265507 0.574038 0.073 Uiso 0.25 1 calc R U P B 2
H10F H 0.369837 0.359910 0.626793 0.073 Uiso 0.25 1 calc R U P B 2
C8A C 0.413(3) 0.365(3) 0.466(2) 0.076(7) Uani 0.25 1 d D U P B 2
H8AA H 0.491748 0.416553 0.512226 0.115 Uiso 0.25 1 d R U P B 2
H8AB H 0.426518 0.336183 0.413306 0.115 Uiso 0.25 1 d R U P B 2
H8AC H 0.362138 0.398503 0.448546 0.115 Uiso 0.25 1 d R U P B 2
B39A B 0.8840(18) 0.6009(18) 0.6955(15) 0.038(2) Uani 0.5 1 d . U P A 1
O41A O 0.9256(12) 0.5908(13) 0.6274(10) 0.041(3) Uani 0.5 1 d . U P A 1
H41A H 0.883037 0.526300 0.586759 0.062 Uiso 0.5 1 d R U P A 1
O40A O 0.9497(12) 0.6966(10) 0.7646(9) 0.054(3) Uani 0.5 1 d . U P A 1
H40A H 1.008622 0.759317 0.761518 0.081 Uiso 0.5 1 d R U P A 1
C36A C 0.730(2) 0.524(2) 0.7794(19) 0.033(2) Uani 0.5 1 d . U P A 1
C38A C 0.734(2) 0.393(2) 0.6667(16) 0.033(2) Uani 0.5 1 d . U P A 1
C37A C 0.7804(19) 0.503(2) 0.7134(16) 0.035(2) Uani 0.5 1 d . U P A 1
O4 O -0.1579(19) 0.1539(15) 0.2636(16) 0.129(7) Uani 0.5 1 d . U P D 1
H4A H -0.172978 0.206961 0.267289 0.193 Uiso 0.5 1 d R U P D 1
H4B H -0.150848 0.142021 0.212269 0.193 Uiso 0.5 1 d R U P D 1
O3 O -0.052(2) 0.1742(14) 0.3497(16) 0.136(7) Uani 0.5 1 d . U P E 2
H3A H -0.042999 0.135183 0.309422 0.204 Uiso 0.5 1 d R U P E 2
H3B H 0.008721 0.191023 0.398362 0.204 Uiso 0.5 1 d R U P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu9 O10 2.449(4) . ?
Eu9 O48 2.536(4) 2_556 ?
Eu9 O23 2.377(4) 2_656 ?
Eu9 O23 2.693(5) . ?
Eu9 O24 2.380(5) . ?
Eu9 O25 2.481(4) 2_556 ?
Eu9 C11 2.942(6) . ?
Eu9 O42 2.426(7) . ?
Eu9 O8 2.351(5) 2_656 ?
Eu9 O47 2.433(5) . ?
Eu9 C26 2.867(6) 2_556 ?
Eu9 O42A 2.444(15) . ?
Eu1 Eu1 4.0416(6) 2_667 ?
Eu1 O55 2.532(5) 2_657 ?
Eu1 O2 2.386(5) 2_667 ?
Eu1 O17 2.417(4) . ?
Eu1 O19 2.895(5) . ?
Eu1 O19 2.338(4) 2_667 ?
Eu1 O16 2.408(5) 2_657 ?
Eu1 O21 2.447(5) . ?
Eu1 O1 2.393(5) . ?
Eu1 O22 2.492(6) . ?
Eu1 C15 2.841(7) 2_657 ?
Eu1 C18 3.016(7) . ?
O10 C11 1.264(7) . ?
O48 C26 1.269(7) . ?
O35 H35 0.8200 . ?
O35 B33 1.361(9) . ?
O23 C11 1.257(7) . ?
O55 C15 1.255(8) . ?
O2 C3 1.232(8) . ?
O34 H34 0.8200 . ?
O34 B33 1.347(9) . ?
O24 C21 1.264(8) . ?
O17 C18 1.272(8) . ?
O19 C18 1.264(8) . ?
O25 C26 1.255(8) . ?
O41B H41B 0.7505 . ?
O41B B39B 1.37(3) . ?
C11 C1 1.509(9) . ?
O16 C15 1.278(8) . ?
O42 C2 1.275(15) . ?
O21 H21A 0.9269 . ?
O21 H21B 0.8909 . ?
C30 H30 0.9300 . ?
C30 C27 1.405(9) . ?
C30 C31 1.396(8) . ?
O8 C21 1.258(8) . ?
O1 C3 1.271(8) . ?
O56 H56A 1.0281 . ?
O56 H56B 0.9006 . ?
C28 H28 0.9300 . ?
C28 C29 1.405(8) . ?
C28 C27 1.382(9) . ?
O47 H47A 0.8671 . ?
O47 H47B 0.8892 . ?
C13 H13 0.9300 . ?
C13 C14 1.388(9) . ?
C13 C1 1.401(9) . ?
C26 C27 1.514(8) . ?
C4 H4 0.9300 . ?
C4 C7 1.399(9) . ?
C4 C19 1.402(9) . ?
C29 C32 1.387(9) . ?
C29 C18 1.497(9) . ?
C31 C32 1.397(9) . ?
C31 B33 1.596(10) . ?
C32 H32 0.9300 . ?
C7 C21 1.509(9) . ?
C7 C38B 1.45(3) . ?
C7 C38A 1.34(3) . ?
C14 C15 1.481(10) . ?
C14 C51 1.369(11) . ?
C36B C37B 1.48(4) . ?
C36B C19 1.39(3) . ?
O22 H22A 0.8504 . ?
O22 H22B 0.8501 . ?
C37B C38B 1.39(4) . ?
C37B B39B 1.55(3) . ?
C19 C3 1.504(9) . ?
C19 C36A 1.42(3) . ?
C1 C49 1.390(10) . ?
O53 H53 0.9957 . ?
O53 B1 1.352(14) . ?
O40B H40B 0.9641 . ?
O40B B39B 1.35(2) . ?
C50 C51 1.422(12) . ?
C50 C49 1.400(11) . ?
C50 B1 1.597(15) . ?
C51 H51 0.9300 . ?
C49 H49 0.9300 . ?
O54 H54 0.9790 . ?
O54 B1 1.402(15) . ?
N1 C2 1.338(14) . ?
N1 C8 1.522(11) . ?
N1 C10 1.525(11) . ?
C2 H2 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
B1 F11 1.59(3) . ?
O42A C2A 1.29(2) . ?
C2A H2A 0.9300 . ?
C2A N1A 1.35(2) . ?
N1A C10A 1.53(2) . ?
N1A C8A 1.54(2) . ?
C10A H10D 0.9600 . ?
C10A H10E 0.9600 . ?
C10A H10F 0.9600 . ?
C8A H8AA 0.9602 . ?
C8A H8AB 0.9601 . ?
C8A H8AC 0.9603 . ?
B39A O41A 1.35(3) . ?
B39A O40A 1.37(2) . ?
B39A C37A 1.61(3) . ?
O41A H41A 0.8830 . ?
O40A H40A 0.9213 . ?
C36A C37A 1.43(3) . ?
C38A C37A 1.42(3) . ?
O4 H4A 0.8495 . ?
O4 H4B 0.8501 . ?
O3 H3A 0.8501 . ?
O3 H3B 0.8501 . ?

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
O10 Eu9 O48 75.03(14) . 2_556 ?
O10 Eu9 O23 50.20(14) . . ?
O10 Eu9 O25 126.47(15) . 2_556 ?
O10 Eu9 C11 25.03(16) . . ?
O10 Eu9 C26 100.68(17) . 2_556 ?
O10 Eu9 O42A 146.6(10) . . ?
O48 Eu9 O23 114.84(14) 2_556 . ?
O48 Eu9 C11 96.11(16) 2_556 . ?
O48 Eu9 C26 26.25(16) 2_556 2_556 ?
O23 Eu9 O10 124.17(15) 2_656 . ?
O23 Eu9 O48 135.45(16) 2_656 2_556 ?
O23 Eu9 O23 74.23(16) 2_656 . ?
O23 Eu9 O24 78.47(17) 2_656 . ?
O23 Eu9 O25 94.04(16) 2_656 2_556 ?
O23 Eu9 C11 99.52(17) 2_656 . ?
O23 Eu9 C11 25.30(15) . . ?
O23 Eu9 O42 79.8(3) 2_656 . ?
O23 Eu9 O47 145.95(18) 2_656 . ?
O23 Eu9 C26 131.73(17) . 2_556 ?
O23 Eu9 C26 114.47(17) 2_656 2_556 ?
O23 Eu9 O42A 75.3(9) 2_656 . ?
O24 Eu9 O10 84.43(18) . . ?
O24 Eu9 O48 146.08(16) . 2_556 ?
O24 Eu9 O23 67.48(17) . . ?
O24 Eu9 O25 144.34(18) . 2_556 ?
O24 Eu9 C11 72.96(19) . . ?
O24 Eu9 O42 75.0(3) . . ?
O24 Eu9 O47 74.81(17) . . ?
O24 Eu9 C26 158.01(17) . 2_556 ?
O24 Eu9 O42A 72.6(8) . . ?
O25 Eu9 O48 51.97(15) 2_556 2_556 ?
O25 Eu9 O23 144.25(17) 2_556 . ?
O25 Eu9 C11 142.54(17) 2_556 . ?
O25 Eu9 C26 25.86(16) 2_556 2_556 ?
O42 Eu9 O10 144.7(3) . . ?
O42 Eu9 O48 107.2(3) . 2_556 ?
O42 Eu9 O23 137.7(3) . . ?
O42 Eu9 O25 69.3(3) . 2_556 ?
O42 Eu9 C11 147.4(3) . . ?
O42 Eu9 O47 73.2(3) . . ?
O42 Eu9 C26 89.4(3) . 2_556 ?
O8 Eu9 O10 81.27(19) 2_656 . ?
O8 Eu9 O48 70.78(16) 2_656 2_556 ?
O8 Eu9 O23 68.89(17) 2_656 . ?
O8 Eu9 O23 73.32(18) 2_656 2_656 ?
O8 Eu9 O24 132.84(17) 2_656 . ?
O8 Eu9 O25 75.41(18) 2_656 2_556 ?
O8 Eu9 C11 75.39(19) 2_656 . ?
O8 Eu9 O42 133.5(4) 2_656 . ?
O8 Eu9 O47 140.73(18) 2_656 . ?
O8 Eu9 C26 69.13(18) 2_656 2_556 ?
O8 Eu9 O42A 132.2(10) 2_656 . ?
O47 Eu9 O10 73.84(17) . . ?
O47 Eu9 O48 73.69(16) . 2_556 ?
O47 Eu9 O23 113.27(17) . . ?
O47 Eu9 O25 95.48(18) . 2_556 ?
O47 Eu9 C11 92.48(18) . . ?
O47 Eu9 C26 86.01(18) . 2_556 ?
O47 Eu9 O42A 76.8(10) . . ?
C26 Eu9 C11 119.34(18) 2_556 . ?
O42A Eu9 O23 133.5(6) . . ?
O42A Eu9 C11 145.5(8) . . ?
O55 Eu1 Eu1 135.50(12) 2_657 2_667 ?
O55 Eu1 O19 116.54(15) 2_657 . ?
O55 Eu1 C15 26.20(17) 2_657 2_657 ?
O55 Eu1 C18 100.29(17) 2_657 . ?
O2 Eu1 Eu1 65.83(12) 2_667 2_667 ?
O2 Eu1 O55 71.70(17) 2_667 2_657 ?
O2 Eu1 O17 83.46(18) 2_667 . ?
O2 Eu1 O19 69.25(16) 2_667 . ?
O2 Eu1 O16 80.18(19) 2_667 2_657 ?
O2 Eu1 O21 139.34(18) 2_667 . ?
O2 Eu1 O1 131.48(18) 2_667 . ?
O2 Eu1 O22 137.8(2) 2_667 . ?
O2 Eu1 C15 73.7(2) 2_667 2_657 ?
O2 Eu1 C18 78.33(18) 2_667 . ?
O17 Eu1 Eu1 82.80(11) . 2_667 ?
O17 Eu1 O55 79.78(16) . 2_657 ?
O17 Eu1 O19 48.17(14) . . ?
O17 Eu1 O21 76.17(19) . . ?
O17 Eu1 O22 138.7(2) . . ?
O17 Eu1 C15 105.93(18) . 2_657 ?
O17 Eu1 C18 23.98(16) . . ?
O19 Eu1 Eu1 34.66(9) . 2_667 ?
O19 Eu1 Eu1 44.75(12) 2_667 2_667 ?
O19 Eu1 O55 132.81(16) 2_667 2_657 ?
O19 Eu1 O2 74.39(18) 2_667 2_667 ?
O19 Eu1 O17 127.53(17) 2_667 . ?
O19 Eu1 O19 79.42(15) 2_667 . ?
O19 Eu1 O16 90.03(18) 2_667 2_657 ?
O19 Eu1 O21 144.93(18) 2_667 . ?
O19 Eu1 O1 82.64(18) 2_667 . ?
O19 Eu1 O22 75.5(2) 2_667 . ?
O19 Eu1 C15 112.14(19) 2_667 2_657 ?
O19 Eu1 C18 103.92(18) 2_667 . ?
O19 Eu1 C18 24.60(15) . . ?
O16 Eu1 Eu1 128.04(14) 2_657 2_667 ?
O16 Eu1 O55 52.76(17) 2_657 2_657 ?
O16 Eu1 O17 132.50(17) 2_657 . ?
O16 Eu1 O19 149.31(18) 2_657 . ?
O16 Eu1 O21 88.1(2) 2_657 . ?
O16 Eu1 O22 70.9(2) 2_657 . ?
O16 Eu1 C15 26.57(18) 2_657 2_657 ?
O16 Eu1 C18 150.02(19) 2_657 . ?
O21 Eu1 Eu1 142.81(15) . 2_667 ?
O21 Eu1 O55 70.30(18) . 2_657 ?
O21 Eu1 O19 116.81(17) . . ?
O21 Eu1 O22 70.8(2) . . ?
O21 Eu1 C15 78.6(2) . 2_657 ?
O21 Eu1 C18 94.7(2) . . ?
O1 Eu1 Eu1 67.72(12) . 2_667 ?
O1 Eu1 O55 144.50(17) . 2_657 ?
O1 Eu1 O17 77.62(18) . . ?
O1 Eu1 O19 64.79(16) . . ?
O1 Eu1 O16 142.7(2) . 2_657 ?
O1 Eu1 O21 77.92(19) . . ?
O1 Eu1 O22 71.9(2) . . ?
O1 Eu1 C15 154.6(2) . 2_657 ?
O1 Eu1 C18 66.44(19) . . ?
O22 Eu1 Eu1 109.60(16) . 2_667 ?
O22 Eu1 O55 110.5(2) . 2_657 ?
O22 Eu1 O19 132.07(19) . . ?
O22 Eu1 C15 91.2(2) . 2_657 ?
O22 Eu1 C18 138.0(2) . . ?
C15 Eu1 Eu1 137.37(16) 2_657 2_667 ?
C15 Eu1 O19 136.29(18) 2_657 . ?
C15 Eu1 C18 125.32(19) 2_657 . ?
C18 Eu1 Eu1 59.20(13) . 2_667 ?
C11 O10 Eu9 99.9(4) . . ?
C26 O48 Eu9 91.6(4) . 2_556 ?
B33 O35 H35 109.5 . . ?
Eu9 O23 Eu9 105.77(16) 2_656 . ?
C11 O23 Eu9 88.5(4) . . ?
C11 O23 Eu9 165.6(4) . 2_656 ?
C15 O55 Eu1 90.8(4) . 2_657 ?
C3 O2 Eu1 139.3(5) . 2_667 ?
B33 O34 H34 109.5 . . ?
C21 O24 Eu9 134.3(4) . . ?
C18 O17 Eu1 105.4(4) . . ?
Eu1 O19 Eu1 100.58(15) 2_667 . ?
C18 O19 Eu1 83.1(4) . . ?
C18 O19 Eu1 173.8(5) . 2_667 ?
C26 O25 Eu9 94.5(4) . 2_556 ?
B39B O41B H41B 115.8 . . ?
O10 C11 Eu9 55.1(3) . . ?
O10 C11 C1 119.7(6) . . ?
O23 C11 Eu9 66.2(3) . . ?
O23 C11 O10 120.8(6) . . ?
O23 C11 C1 119.4(6) . . ?
C1 C11 Eu9 169.8(5) . . ?
C15 O16 Eu1 96.0(4) . 2_657 ?
C2 O42 Eu9 129.9(9) . . ?
Eu1 O21 H21A 108.7 . . ?
Eu1 O21 H21B 132.1 . . ?
H21A O21 H21B 88.2 . . ?
C27 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C31 C30 C27 121.0(6) . . ?
C21 O8 Eu9 141.6(5) . 2_656 ?
C3 O1 Eu1 134.5(4) . . ?
H56A O56 H56B 102.2 . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.8(6) . . ?
Eu9 O47 H47A 119.9 . . ?
Eu9 O47 H47B 111.2 . . ?
H47A O47 H47B 100.1 . . ?
C14 C13 H13 119.8 . . ?
C14 C13 C1 120.4(6) . . ?
C1 C13 H13 119.8 . . ?
O48 C26 Eu9 62.1(3) . 2_556 ?
O48 C26 C27 119.8(6) . . ?
O25 C26 Eu9 59.6(3) . 2_556 ?
O25 C26 O48 121.2(6) . . ?
O25 C26 C27 119.0(6) . . ?
C27 C26 Eu9 171.8(4) . 2_556 ?
C7 C4 H4 120.3 . . ?
C7 C4 C19 119.4(6) . . ?
C19 C4 H4 120.3 . . ?
C28 C29 C18 118.3(6) . . ?
C32 C29 C28 118.7(6) . . ?
C32 C29 C18 123.0(6) . . ?
C30 C27 C26 120.6(6) . . ?
C28 C27 C30 119.3(6) . . ?
C28 C27 C26 120.1(6) . . ?
C30 C31 C32 118.1(6) . . ?
C30 C31 B33 119.2(6) . . ?
C32 C31 B33 122.7(6) . . ?
C29 C32 C31 122.0(6) . . ?
C29 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C4 C7 C21 119.2(6) . . ?
C4 C7 C38B 119.8(13) . . ?
C38B C7 C21 120.2(12) . . ?
C38A C7 C4 121.7(13) . . ?
C38A C7 C21 118.9(13) . . ?
O24 C21 C7 118.5(6) . . ?
O8 C21 O24 125.3(6) . . ?
O8 C21 C7 116.2(6) . . ?
C13 C14 C15 117.7(6) . . ?
C51 C14 C13 119.5(7) . . ?
C51 C14 C15 122.8(7) . . ?
C19 C36B C37B 117(2) . . ?
Eu1 O22 H22A 127.9 . . ?
Eu1 O22 H22B 127.6 . . ?
H22A O22 H22B 104.4 . . ?
C36B C37B B39B 120(2) . . ?
C38B C37B C36B 120(2) . . ?
C38B C37B B39B 120(2) . . ?
O55 C15 Eu1 63.0(4) . 2_657 ?
O55 C15 O16 120.4(7) . . ?
O55 C15 C14 120.4(6) . . ?
O16 C15 Eu1 57.4(4) . 2_657 ?
O16 C15 C14 119.2(6) . . ?
C14 C15 Eu1 176.5(5) . 2_657 ?
O17 C18 Eu1 50.6(3) . . ?
O17 C18 C29 119.3(6) . . ?
O19 C18 Eu1 72.3(4) . . ?
O19 C18 O17 121.4(6) . . ?
O19 C18 C29 119.3(6) . . ?
C29 C18 Eu1 161.7(5) . . ?
C4 C19 C3 119.2(6) . . ?
C4 C19 C36A 118.8(12) . . ?
C36B C19 C4 122.7(13) . . ?
C36B C19 C3 117.7(13) . . ?
C36A C19 C3 121.5(12) . . ?
O35 B33 C31 118.9(6) . . ?
O34 B33 O35 123.3(7) . . ?
O34 B33 C31 117.8(6) . . ?
C13 C1 C11 120.2(6) . . ?
C49 C1 C11 120.5(6) . . ?
C49 C1 C13 119.3(7) . . ?
C37B C38B C7 120(2) . . ?
B1 O53 H53 122.0 . . ?
B39B O40B H40B 115.8 . . ?
O2 C3 O1 125.8(6) . . ?
O2 C3 C19 118.2(6) . . ?
O1 C3 C19 116.1(6) . . ?
C51 C50 B1 124.9(9) . . ?
C49 C50 C51 116.7(8) . . ?
C49 C50 B1 118.3(8) . . ?
C14 C51 C50 122.1(7) . . ?
C14 C51 H51 119.0 . . ?
C50 C51 H51 119.0 . . ?
C1 C49 C50 121.6(7) . . ?
C1 C49 H49 119.2 . . ?
C50 C49 H49 119.2 . . ?
B1 O54 H54 128.6 . . ?
O41B B39B C37B 124.3(19) . . ?
O40B B39B O41B 115.5(18) . . ?
O40B B39B C37B 120.0(18) . . ?
C2 N1 C8 118.6(10) . . ?
C2 N1 C10 110.4(10) . . ?
C8 N1 C10 131.0(11) . . ?
O42 C2 N1 130.4(12) . . ?
O42 C2 H2 114.8 . . ?
N1 C2 H2 114.8 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O53 B1 C50 122.0(11) . . ?
O53 B1 O54 115.7(11) . . ?
O53 B1 F11 95.1(13) . . ?
C50 B1 F11 105.3(13) . . ?
O54 B1 C50 122.4(10) . . ?
C2A O42A Eu9 127.8(18) . . ?
O42A C2A H2A 114.4 . . ?
O42A C2A N1A 131(3) . . ?
N1A C2A H2A 114.4 . . ?
C2A N1A C10A 109.1(19) . . ?
C2A N1A C8A 125(2) . . ?
C10A N1A C8A 126(2) . . ?
N1A C10A H10D 109.5 . . ?
N1A C10A H10E 109.5 . . ?
N1A C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
N1A C8A H8AA 109.0 . . ?
N1A C8A H8AB 109.9 . . ?
N1A C8A H8AC 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
O41A B39A O40A 117.9(17) . . ?
O41A B39A C37A 125.0(18) . . ?
O40A B39A C37A 116.0(18) . . ?
B39A O41A H41A 114.2 . . ?
B39A O40A H40A 124.3 . . ?
C19 C36A C37A 121(2) . . ?
C7 C38A C37A 122(2) . . ?
C36A C37A B39A 121(2) . . ?
C38A C37A B39A 123(2) . . ?
C38A C37A C36A 116(2) . . ?
H4A O4 H4B 104.5 . . ?
H3A O3 H3B 104.5 . . ?

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
Eu9 O10 C11 O23 -8.3(7) . . . . ?
Eu9 O10 C11 C1 169.6(5) . . . . ?
Eu9 O48 C26 O25 8.4(7) 2_556 . . . ?
Eu9 O48 C26 C27 -170.9(5) 2_556 . . . ?
Eu9 O23 C11 Eu9 -173.9(19) 2_656 . . . ?
Eu9 O23 C11 O10 -166.5(15) 2_656 . . . ?
Eu9 O23 C11 O10 7.5(6) . . . . ?
Eu9 O23 C11 C1 -170.5(6) . . . . ?
Eu9 O23 C11 C1 16(2) 2_656 . . . ?
Eu9 O24 C21 O8 -25.2(13) . . . . ?
Eu9 O24 C21 C7 153.7(5) . . . . ?
Eu9 O25 C26 O48 -8.6(7) 2_556 . . . ?
Eu9 O25 C26 C27 170.7(5) 2_556 . . . ?
Eu9 C11 C1 C13 68(3) . . . . ?
Eu9 C11 C1 C49 -114(2) . . . . ?
Eu9 O42 C2 N1 -169.3(8) . . . . ?
Eu9 O8 C21 O24 -1.2(15) 2_656 . . . ?
Eu9 O8 C21 C7 179.9(6) 2_656 . . . ?
Eu9 O42A C2A N1A -128(3) . . . . ?
Eu1 O55 C15 O16 2.3(8) 2_657 . . . ?
Eu1 O55 C15 C14 -179.0(7) 2_657 . . . ?
Eu1 O2 C3 O1 -17.1(13) 2_667 . . . ?
Eu1 O2 C3 C19 163.8(5) 2_667 . . . ?
Eu1 O17 C18 O19 -16.2(8) . . . . ?
Eu1 O17 C18 C29 161.4(5) . . . . ?
Eu1 O19 C18 O17 13.0(6) . . . . ?
Eu1 O19 C18 C29 -164.5(6) . . . . ?
Eu1 O16 C15 O55 -2.4(8) 2_657 . . . ?
Eu1 O16 C15 C14 178.9(6) 2_657 . . . ?
Eu1 O1 C3 O2 -18.7(12) . . . . ?
Eu1 O1 C3 C19 160.5(5) . . . . ?
O10 C11 C1 C13 11.0(10) . . . . ?
O10 C11 C1 C49 -170.9(7) . . . . ?
O48 C26 C27 C30 -3.4(10) . . . . ?
O48 C26 C27 C28 177.2(6) . . . . ?
O23 C11 C1 C13 -171.0(7) . . . . ?
O23 C11 C1 C49 7.0(11) . . . . ?
O25 C26 C27 C30 177.2(6) . . . . ?
O25 C26 C27 C28 -2.2(10) . . . . ?
C11 C1 C49 C50 -177.4(6) . . . . ?
C30 C31 C32 C29 -1.1(10) . . . . ?
C30 C31 B33 O35 -26.4(10) . . . . ?
C30 C31 B33 O34 151.8(7) . . . . ?
C28 C29 C32 C31 -0.1(10) . . . . ?
C28 C29 C18 Eu1 57.3(17) . . . . ?
C28 C29 C18 O17 5.6(10) . . . . ?
C28 C29 C18 O19 -176.8(6) . . . . ?
C13 C14 C15 O55 -172.9(7) . . . . ?
C13 C14 C15 O16 5.8(12) . . . . ?
C13 C14 C51 C50 -2.7(13) . . . . ?
C13 C1 C49 C50 0.6(12) . . . . ?
C4 C7 C21 O24 13.9(12) . . . . ?
C4 C7 C21 O8 -167.1(7) . . . . ?
C4 C7 C38B C37B 7(2) . . . . ?
C4 C7 C38A C37A -7(2) . . . . ?
C4 C19 C3 O2 179.6(7) . . . . ?
C4 C19 C3 O1 0.4(10) . . . . ?
C4 C19 C36A C37A 5(2) . . . . ?
C29 C28 C27 C30 2.1(10) . . . . ?
C29 C28 C27 C26 -178.4(6) . . . . ?
C27 C30 C31 C32 2.9(10) . . . . ?
C27 C30 C31 B33 -177.9(6) . . . . ?
C27 C28 C29 C32 -0.4(10) . . . . ?
C27 C28 C29 C18 -176.7(6) . . . . ?
C31 C30 C27 C28 -3.4(10) . . . . ?
C31 C30 C27 C26 177.1(6) . . . . ?
C32 C29 C18 Eu1 -118.8(14) . . . . ?
C32 C29 C18 O17 -170.5(7) . . . . ?
C32 C29 C18 O19 7.1(10) . . . . ?
C32 C31 B33 O35 152.8(7) . . . . ?
C32 C31 B33 O34 -29.0(10) . . . . ?
C7 C4 C19 C36B 9.1(15) . . . . ?
C7 C4 C19 C3 -177.3(7) . . . . ?
C7 C4 C19 C36A -4.8(15) . . . . ?
C7 C38A C37A B39A -174.5(17) . . . . ?
C7 C38A C37A C36A 6(3) . . . . ?
C21 C7 C38B C37B 176.7(14) . . . . ?
C21 C7 C38A C37A 177.5(14) . . . . ?
C14 C13 C1 C11 -177.7(7) . . . . ?
C14 C13 C1 C49 4.3(12) . . . . ?
C36B C37B C38B C7 -6(3) . . . . ?
C36B C37B B39B O41B -172.1(17) . . . . ?
C36B C37B B39B O40B 14(3) . . . . ?
C36B C19 C3 O2 -6.5(14) . . . . ?
C36B C19 C3 O1 174.3(12) . . . . ?
C37B C36B C19 C4 -8(2) . . . . ?
C37B C36B C19 C3 178.9(12) . . . . ?
C15 C14 C51 C50 177.9(7) . . . . ?
C18 C29 C32 C31 176.0(6) . . . . ?
C19 C4 C7 C21 -178.3(7) . . . . ?
C19 C4 C7 C38B -8.6(15) . . . . ?
C19 C4 C7 C38A 5.8(15) . . . . ?
C19 C36B C37B C38B 6(3) . . . . ?
C19 C36B C37B B39B -178.4(16) . . . . ?
C19 C36A C37A B39A 175.4(17) . . . . ?
C19 C36A C37A C38A -5(3) . . . . ?
B33 C31 C32 C29 179.7(6) . . . . ?
C1 C13 C14 C15 176.2(7) . . . . ?
C1 C13 C14 C51 -3.2(12) . . . . ?
C38B C7 C21 O24 -155.8(12) . . . . ?
C38B C7 C21 O8 23.2(15) . . . . ?
C38B C37B B39B O41B 4(3) . . . . ?
C38B C37B B39B O40B -170.3(18) . . . . ?
C3 C19 C36A C37A 177.2(14) . . . . ?
C51 C14 C15 O55 6.6(13) . . . . ?
C51 C14 C15 O16 -174.7(8) . . . . ?
C51 C50 C49 C1 -6.2(9) . . . . ?
C51 C50 B1 O53 -0.4(11) . . . . ?
C51 C50 B1 O54 178.9(11) . . . . ?
C51 C50 B1 F11 -106.7(12) . . . . ?
C49 C50 C51 C14 7.3(10) . . . . ?
C49 C50 B1 O53 179.7(11) . . . . ?
C49 C50 B1 O54 -1.0(11) . . . . ?
C49 C50 B1 F11 73.3(12) . . . . ?
B39B C37B C38B C7 178.6(16) . . . . ?
C8 N1 C2 O42 -179.9(5) . . . . ?
C10 N1 C2 O42 0.1(7) . . . . ?
B1 C50 C51 C14 -172.7(9) . . . . ?
B1 C50 C49 C1 173.8(9) . . . . ?
O42A C2A N1A C10A 4(2) . . . . ?
O42A C2A N1A C8A 178.3(10) . . . . ?
O41A B39A C37A C36A -171.3(18) . . . . ?
O41A B39A C37A C38A 9(3) . . . . ?
O40A B39A C37A C36A 21(3) . . . . ?
O40A B39A C37A C38A -157.8(18) . . . . ?
C36A C19 C3 O2 7.2(15) . . . . ?
C36A C19 C3 O1 -172.0(12) . . . . ?
C38A C7 C21 O24 -170.1(12) . . . . ?
C38A C7 C21 O8 8.9(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.649 -0.149 0.000 561.7 173.7 '2 C3H7NO,9 H2O'
2 0.500 0.407 0.292 14.2 2.6 '0.5 H2O'
3 0.500 0.593 0.708 14.2 4.4 '0.5 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT420_f@7                 
;
PROBLEM: D-H Bond Without Acceptor  O3       --H3A      .     Please Check 
RESPONSE: Acceptors are oxygen atoms of the masked lattice molecules.
;
# end Validation Reply Form
