# Supplementary Information (SI) 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_2023113001_auto_sq
_database_code_depnum_ccdc_archive 'CCDC 2353626'
loop_
_audit_author_name
_audit_author_address
'Qing Ma'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-10-03 downloaded from the CCDC.
;
_audit_creation_date             2024-01-25
_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        1
_chemical_formula_moiety         
'C184 H100 Eu2 F56 O24, 3(C4 H12 N), [+ solvents]'
_chemical_formula_sum            'C196 H136 Eu2 F56 N3 O24'
_chemical_formula_weight         4284.99
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           90
_space_group_name_H-M_alt        'P 4 21 2'
_space_group_name_Hall           'P 4ab 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z'
'y+1/2, -x+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'y, x, -z'
'-y, -x, -z'

_cell_length_a                   23.1516(7)
_cell_length_b                   23.1516(7)
_cell_length_c                   24.2797(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13013.8(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9566
_cell_measurement_temperature    140.00(10)
_cell_measurement_theta_max      26.7950
_cell_measurement_theta_min      3.5470
_shelx_estimated_absorpt_T_max   0.895
_shelx_estimated_absorpt_T_min   0.895
_exptl_absorpt_coefficient_mu    0.566
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4310
_exptl_crystal_preparation       'Ace tonitrile dioxane'
_exptl_crystal_recrystallization_method 'Slow solvent volatilization'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_av_unetI/netI     0.1308
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.866
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47464
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.851
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.349
_diffrn_reflns_theta_min         3.470
_diffrn_ambient_temperature      140.15
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  26.00   0.75   84.46    --   17.71  94.00 170.00   60
  2  ω    -19.00  54.50   0.75   84.46    --   17.71 -94.00  59.00   98
  3  ω    -72.00 -42.00   0.75   84.46    --  -17.32-178.00-120.00   40
  4  ω    -22.00   5.00   0.75   84.46    --  -17.32 -99.00  60.00   36
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.784
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.833
_reflns_number_gt                8358
_reflns_number_total             15244
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.404
_refine_diff_density_min         -1.777
_refine_diff_density_rms         0.178
_refine_ls_abs_structure_details 
;
 Flack x determined using 2084 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.148(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.356
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         15244
_refine_ls_number_restraints     5743
_refine_ls_R_factor_all          0.2181
_refine_ls_R_factor_gt           0.1583
_refine_ls_restrained_S_all      1.227
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4079
_refine_ls_wR_factor_ref         0.4423
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O65_$1-C34_$1 = O65_$2-C34_$2 = O65_$3-C34_$3 = O65-C34
 1.2 with sigma of 0.02
 F25-C1 = F27-C1 = F13-C1
 1.4 with sigma of 0.02
 F13-C1 = F27-C1
 1.4 with sigma of 0.02
 F25-C1 = F13-C1 = F27-C1
 1.4 with sigma of 0.02
 C11-C10
 1.54 with sigma of 0.02
 F13-C14
 2.4 with sigma of 0.02
 F13-F27
 1.9 with sigma of 0.02
 F13-F25
 1.9 with sigma of 0.02
 C14-C8 = C14-C1
 1.4 with sigma of 0.02
 C14-C1
 1.5 with sigma of 0.02
 F3-C10 = F23-C10
 1.4 with sigma of 0.02
 F7-C10
 2.2 with sigma of 0.02
 N2-C4_$3 = N2-C4_$1 = N2-C3_$2 = N2-C3_$1 = N2-C4 = N2-C3_$3 = N2-C3 = N2-C4_$2
 1.5 with sigma of 0.02
 F34-C10
 2.5 with sigma of 0.02
 C8-C1
 2.5 with sigma of 0.02
 F16-F3
 2.4 with sigma of 0.02
 F27-F19
 2.1 with sigma of 0.02
 F25-F19
 2.5 with sigma of 0.02
 F25-C14
 2.4 with sigma of 0.02
 F27-C14
 2.4 with sigma of 0.02
 F16-F23
 2.4 with sigma of 0.02
 C3-C4_$1
 2.4 with sigma of 0.02
 F27-F25
 1.9 with sigma of 0.02
 F23-F3
 2.2 with sigma of 0.02
 C3-C4
 2.4 with sigma of 0.02
 C1-F19
 2.3 with sigma of 0.02
 F23-C11
 2 with sigma of 0.02
 C3-C3_$1
 2.4 with sigma of 0.02
 N1-C7
 1.4 with sigma of 0.02
 C27-C007 = C34-C27
 1.54 with sigma of 0.02
 C16-C8
 1.5 with sigma of 0.02
 F19-C14 = F12-C14
 1.4 with sigma of 0.02
 F8-C8 = F1-C8 = F12-C14 = F19-C14
 1.4 with sigma of 0.02
 F12-C8
 2.4 with sigma of 0.02
 F7-F2
 2.1 with sigma of 0.02
 F2-C2 = F7-C2
 1.4 with sigma of 0.02
 F34-C11 = F16-C11
 1.4 with sigma of 0.02
 F4-F16
 1.8 with sigma of 0.02
 F34-C11 = F4-C11 = F16-C11
 1.4 with sigma of 0.02
 F34-F4
 1.8 with sigma of 0.02
 F34-F16
 1.8 with sigma of 0.02
 F4-F34
 2 with sigma of 0.02
 F16-F34 = F34-F4
 1.8 with sigma of 0.02
 C11-C2
 2.7 with sigma of 0.02
 C2-C11
 2.5 with sigma of 0.02
 F4-C10
 2.6 with sigma of 0.02
 F4-C2
 3.4 with sigma of 0.02
 C2-C10
 1.54 with sigma of 0.02
 C11-F3
 1.9 with sigma of 0.02
 N2-C4_$3 \\sim N2-C3_$3
 with sigma of 0.02
 N1-C5 \\sim N1-C6 \\sim N1-C7 \\sim N1-C9
 with sigma of 0.02
 C5-C7 \\sim C5-C6 \\sim C5-C9 \\sim C6-C7 \\sim C6-C9 \\sim C7-C9
 with sigma of 0.04
 Eu2-O65 \\sim Eu2-O11
 with sigma of 0.02
 O11-C007 \\sim O65-C34
 with sigma of 0.02
 O00I-C16 \\sim O004-C00G
 with sigma of 0.02
2. Rigid bond restraints
 F13, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 F27, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 F25, C1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C8, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C27, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C02W
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O65, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C007, C27
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C16, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C2, C8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 F12, C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 F19, C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
C007 \\sim C02W \\sim C01K \\sim C008 \\sim C00A \\sim C00C \\sim C01F \\sim
C00G \\sim C00J \\sim C01D \\sim C016 \\sim C015 \\sim C017 \\sim C00X \\sim
C00Y \\sim C78 \\sim C01J \\sim C012 \\sim C00P \\sim C00W \\sim C56 \\sim C00Q
\\sim C011 \\sim C01Q \\sim C00V \\sim C013 \\sim C01C \\sim C00F \\sim C00L
\\sim C00D \\sim C018 \\sim C010 \\sim C00Z \\sim C37 \\sim C00R \\sim C014
\\sim C16 \\sim C19 \\sim C27 \\sim C34 \\sim C4 \\sim C3 \\sim C1 \\sim C8
\\sim C14 \\sim C2 \\sim C5 \\sim C6 \\sim C7 \\sim C9: within 10A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 10A
N2 \\sim C4 \\sim C3: within 2A with sigma of 0.04 and sigma for terminal atoms
of 0.08 within 2A
N1 \\sim C5 \\sim C6 \\sim C7 \\sim C9: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
F13: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(F23) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(F16)
\\sim Ueq, Uanis(F34) \\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F3) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C02W) \\sim Ueq, Uanis(C01K) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C01C) \\sim Ueq, Uanis(C00D) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C11) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F34) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C1, C8, C14, F8, F1, F12, F19, F13, F25, F27
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F13, F25, F27
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 N2, C4, C3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C2, F7, F2, C10, F3, C11, F23, F16, F34
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C2, F7, F2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C10, F3, C11, F23, F16, F34, F4
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 H3A, C3, H3C, H3B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 N1, C5, C6, C7, C9
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C01C
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=1-FVAR(1)
 Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=FVAR(1)
 Fixed Sof: N1(0.5) C5(0.5) H5A(0.5) H5B(0.5) H5C(0.5) C6(0.5) H6A(0.5)
 H6B(0.5) H6C(0.5) C7(0.5) H7A(0.5) H7B(0.5) H7C(0.5) C9(0.5) H9A(0.5) H9B(0.5)
 H9C(0.5)
 Fixed X: F13(0.20021)
6.a Riding coordinates:
 C3(H3A,H3B,H3C), C6(H6A,H6B,H6C)
6.b Secondary CH2 refined with riding coordinates:
 C00V(H00B,H00D), C014(H01A,H01B), C27(H27A,H27B)
6.c Me refined with riding coordinates:
 C7(H7A,H7B,H7C)
6.d Aromatic/amide H refined with riding coordinates:
 C01K(H01K), C00A(H00A), C00C(H00C), C01F(H01F), C015(H015), C00Y(H00Y),
 C78(H78), C01J(H01J), C012(H012), C00W(H00W), C56(H56), C00Q(H00Q), C01Q(H01Q),
  C00L(H00L), C010(H010), C00Z(H00Z), C37(H37), C00R(H00R), C19(H19)
6.e Fitted hexagon refined as free rotating group:
 C02W(C01K,C008,C00A,C00C,C01F), C00P(C00W,C56,C00Q,C011,C01Q)
6.f Naphthalene refined as free rotating group:
 C00J(C01D,C016,C015,C017,C00X,C00Y,C78,C01J,C012), C013(C01C,C00F,C00L,C00D,
 C018,C010,C00Z,C37,C00R)
6.g Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
O004 O 0.4482(4) 0.9301(5) 0.2322(5) 0.053(3) Uani 1 1 d D . . . .
O005 O 0.4600(4) 0.8252(5) 0.4716(5) 0.054(3) Uani 1 1 d . . . . .
O006 O 0.5774(5) 0.8110(4) 0.4977(5) 0.052(3) Uani 1 1 d . . . . .
C007 C 0.6109(8) 0.9372(9) 0.7270(9) 0.0712(17) Uani 1 1 d D U . . .
C02W C 0.4109(4) 0.8237(5) 0.3655(5) 0.0698(15) Uani 1 1 d G U . . .
C01K C 0.4220(4) 0.8491(5) 0.3147(5) 0.0691(15) Uani 1 1 d G U . . .
H01K H 0.456404 0.839775 0.295336 0.083 Uiso 1 1 calc R U . . .
C008 C 0.3828(5) 0.8880(5) 0.2924(4) 0.0700(15) Uani 1 1 d G U . . .
C00A C 0.3325(4) 0.9016(5) 0.3208(5) 0.0684(15) Uani 1 1 d G U . . .
H00A H 0.305717 0.928248 0.305460 0.082 Uiso 1 1 calc R U . . .
C00C C 0.3214(4) 0.8763(5) 0.3716(5) 0.0704(15) Uani 1 1 d G U . . .
H00C H 0.286963 0.885546 0.390963 0.084 Uiso 1 1 calc R U . . .
C01F C 0.3605(5) 0.8373(5) 0.3939(4) 0.0699(15) Uani 1 1 d G U . . .
H01F H 0.352929 0.819958 0.428653 0.084 Uiso 1 1 calc R U . . .
C00G C 0.3973(7) 0.9216(8) 0.2417(9) 0.0705(17) Uani 1 1 d D U . . .
O00I O 0.4131(6) 0.9791(4) 0.1347(5) 0.067(3) Uani 1 1 d D . . . .
C00J C 0.5180(4) 0.7308(4) 0.5226(3) 0.0690(15) Uani 1 1 d G U . . .
C01D C 0.5579(4) 0.7731(4) 0.5370(4) 0.0704(15) Uani 1 1 d G U . . .
C016 C 0.5756(4) 0.7787(4) 0.5915(5) 0.0703(15) Uani 1 1 d G U . . .
C015 C 0.5532(4) 0.7421(4) 0.6316(4) 0.0700(15) Uani 1 1 d G U . . .
H015 H 0.565277 0.745950 0.668794 0.084 Uiso 1 1 calc R U . . .
C017 C 0.5133(3) 0.6999(3) 0.6172(3) 0.0693(15) Uani 1 1 d G U . . .
C00X C 0.4957(3) 0.6942(3) 0.5627(3) 0.0686(15) Uani 1 1 d G U . . .
C00Y C 0.4558(4) 0.6520(4) 0.5483(4) 0.0692(15) Uani 1 1 d G U . . .
H00Y H 0.443732 0.648170 0.511120 0.083 Uiso 1 1 calc R U . . .
C78 C 0.4335(4) 0.6154(4) 0.5884(4) 0.0698(15) Uani 1 1 d G U . . .
H78 H 0.406167 0.586561 0.578605 0.084 Uiso 1 1 calc R U . . .
C01J C 0.4511(4) 0.6211(4) 0.6429(4) 0.0696(15) Uani 1 1 d G U . . .
H01J H 0.435818 0.596038 0.670297 0.084 Uiso 1 1 calc R U . . .
C012 C 0.4910(4) 0.6633(4) 0.6573(3) 0.0691(15) Uani 1 1 d G U . . .
H012 H 0.503033 0.667124 0.694505 0.083 Uiso 1 1 calc R U . . .
C00P C 0.6307(5) 0.9052(5) 0.6780(5) 0.0710(16) Uani 1 1 d G U . . .
C00W C 0.6798(5) 0.9213(5) 0.6487(5) 0.0715(16) Uani 1 1 d G U . . .
H00W H 0.703285 0.952036 0.661707 0.086 Uiso 1 1 calc R U . . .
C56 C 0.6944(4) 0.8924(5) 0.6005(5) 0.0709(15) Uani 1 1 d G U . . .
H56 H 0.727853 0.903470 0.580497 0.085 Uiso 1 1 calc R U . . .
C00Q C 0.6599(5) 0.8475(5) 0.5815(4) 0.0709(15) Uani 1 1 d G U . . .
H00Q H 0.669905 0.827739 0.548549 0.085 Uiso 1 1 calc R U . . .
C011 C 0.6109(5) 0.8313(5) 0.6108(5) 0.0704(15) Uani 1 1 d G U . . .
C01Q C 0.5963(4) 0.8602(5) 0.6590(5) 0.0713(15) Uani 1 1 d G U . . .
H01Q H 0.562821 0.849139 0.679020 0.086 Uiso 1 1 calc R U . . .
C00V C 0.5069(9) 0.8697(8) 0.4563(8) 0.0699(14) Uani 1 1 d . U . . .
H00B H 0.522400 0.861295 0.419120 0.084 Uiso 1 1 calc R U . . .
H00D H 0.490268 0.909127 0.455966 0.084 Uiso 1 1 calc R U . . .
C013 C 0.5012(5) 0.7276(4) 0.4605(3) 0.0684(15) Uani 1 1 d G U . . .
C01C C 0.4705(5) 0.7749(3) 0.4408(4) 0.0686(15) Uani 1 1 d G U . . .
C00F C 0.4507(4) 0.7754(3) 0.3868(5) 0.0696(15) Uani 1 1 d G U . . .
C00L C 0.4617(4) 0.7287(3) 0.3524(4) 0.0700(15) Uani 1 1 d G U . . .
H00L H 0.448186 0.729061 0.315450 0.084 Uiso 1 1 calc R U . . .
C00D C 0.4924(3) 0.6814(3) 0.3721(3) 0.0700(15) Uani 1 1 d G U . . .
C018 C 0.5122(3) 0.6809(3) 0.4261(3) 0.0693(15) Uani 1 1 d G U . . .
C010 C 0.5429(4) 0.6336(4) 0.4458(4) 0.0699(15) Uani 1 1 d G U . . .
H010 H 0.556447 0.633278 0.482747 0.084 Uiso 1 1 calc R U . . .
C00Z C 0.5539(4) 0.5869(3) 0.4114(5) 0.0695(16) Uani 1 1 d G U . . .
H00Z H 0.574913 0.554595 0.424873 0.083 Uiso 1 1 calc R U . . .
C37 C 0.5341(5) 0.5874(3) 0.3574(4) 0.0696(16) Uani 1 1 d G U . . .
H37 H 0.541635 0.555482 0.333875 0.084 Uiso 1 1 calc R U . . .
C00R C 0.5034(4) 0.6347(4) 0.3377(3) 0.0695(15) Uani 1 1 d G U . . .
H00R H 0.489892 0.635052 0.300748 0.083 Uiso 1 1 calc R U . . .
C014 C 0.5543(8) 0.8658(8) 0.4984(9) 0.0694(15) Uani 1 1 d . U . . .
H01A H 0.584741 0.894528 0.490057 0.083 Uiso 1 1 calc R U . . .
H01B H 0.538608 0.874409 0.535488 0.083 Uiso 1 1 calc R U . . .
C16 C 0.3678(7) 0.9550(8) 0.1497(9) 0.0710(18) Uani 1 1 d D U . . .
Eu02 Eu 0.500000 1.000000 0.17992(6) 0.0585(5) Uani 1 4 d S T P . .
O11 O 0.5607(7) 0.9414(6) 0.7351(4) 0.076(3) Uani 1 1 d D . . . .
O65 O 0.5923(5) 0.9906(6) 0.8337(5) 0.070(3) Uani 1 1 d D U . . .
C19 C 0.3512(8) 0.9348(8) 0.1989(9) 0.0703(18) Uani 1 1 d . U . . .
H19 H 0.311521 0.928793 0.206898 0.084 Uiso 1 1 calc R U . . .
C27 C 0.6591(8) 0.9588(9) 0.7648(8) 0.0727(18) Uani 1 1 d D U . . .
H27A H 0.687613 0.927354 0.769605 0.087 Uiso 1 1 calc R U . . .
H27B H 0.679033 0.991265 0.746282 0.087 Uiso 1 1 calc R U . . .
C34 C 0.6400(7) 0.9785(8) 0.8202(8) 0.0741(19) Uani 1 1 d D U . . .
Eu2 Eu 0.500000 1.000000 0.79018(6) 0.0709(6) Uani 1 4 d DS T P . .
N2 N 0.500000 1.000000 0.9857(11) 0.093(7) Uani 1 4 d DS TU P . .
C4 C 0.5052(17) 0.9453(10) 1.0187(13) 0.083(5) Uani 0.60(3) 1 d D U P A 2
H4A H 0.540940 0.946293 1.040302 0.124 Uiso 0.60(3) 1 calc R U P A 2
H4B H 0.506035 0.912079 0.993694 0.124 Uiso 0.60(3) 1 calc R U P A 2
H4C H 0.472041 0.941888 1.043552 0.124 Uiso 0.60(3) 1 calc R U P A 2
C3 C 0.5191(18) 0.9523(9) 0.9477(14) 0.075(4) Uani 0.40(3) 1 d D U P A 1
H3A H 0.555704 0.935956 0.960660 0.113 Uiso 0.40(3) 1 d R U P A 1
H3B H 0.524064 0.967426 0.910310 0.113 Uiso 0.40(3) 1 d R U P A 1
H3C H 0.489404 0.922076 0.947510 0.113 Uiso 0.40(3) 1 d R U P A 1
C1 C 0.2529(6) 1.0447(7) 0.0674(8) 0.083(2) Uani 1 1 d D U . . .
C8 C 0.3169(7) 0.9711(7) 0.1124(8) 0.076(2) Uani 1 1 d D U . . .
C14 C 0.2869(7) 1.0246(7) 0.1113(7) 0.082(2) Uani 1 1 d D U . . .
F8 F 0.2686(8) 0.9368(9) 0.1245(9) 0.155(7) Uani 1 1 d D . . . .
F1 F 0.3355(10) 0.9561(15) 0.0595(8) 0.214(14) Uani 1 1 d D . . . .
F12 F 0.257(2) 1.0360(18) 0.1614(11) 0.34(3) Uani 1 1 d D U . . .
F19 F 0.3342(11) 1.0662(11) 0.1044(18) 0.41(4) Uani 1 1 d D U . . .
F13 F 0.200210 1.0488(17) 0.0489(13) 0.316(17) Uani 1 1 d D U . . .
F25 F 0.2767(13) 1.045(3) 0.0155(9) 0.68(7) Uani 1 1 d D U . . .
F27 F 0.2575(16) 1.1053(8) 0.064(2) 0.47(5) Uani 1 1 d D U . . .
C2 C 0.6912(7) 0.9964(8) 0.8562(8) 0.091(2) Uani 1 1 d D U . . .
F7 F 0.7409(7) 0.9915(11) 0.8330(9) 0.177(7) Uani 1 1 d D . . . .
F2 F 0.6827(7) 0.9723(10) 0.9041(7) 0.147(6) Uani 1 1 d D . . . .
N1 N 0.5069(12) 0.9865(9) 0.5697(7) 0.066(5) Uani 0.5 1 d D U P B -1
C5 C 0.4770(13) 1.0109(19) 0.6143(12) 0.072(3) Uani 0.5 1 d D U P B -1
H5A H 0.503985 1.017767 0.644684 0.109 Uiso 0.5 1 calc R U P B -1
H5B H 0.446587 0.984375 0.626375 0.109 Uiso 0.5 1 calc R U P B -1
H5C H 0.459687 1.047599 0.602839 0.109 Uiso 0.5 1 calc R U P B -1
C6 C 0.5643(12) 0.9835(15) 0.5888(16) 0.073(3) Uani 0.5 1 d D U P B -1
H6A H 0.577969 0.946103 0.575054 0.110 Uiso 0.5 1 d R U P B -1
H6B H 0.565279 0.983453 0.629194 0.110 Uiso 0.5 1 d R U P B -1
H6C H 0.589359 1.014294 0.574864 0.110 Uiso 0.5 1 d R U P B -1
C7 C 0.4881(14) 0.9297(12) 0.5603(15) 0.073(2) Uani 0.5 1 d D U P B -1
H7A H 0.491203 0.907340 0.594414 0.109 Uiso 0.5 1 calc R U P B -1
H7B H 0.447774 0.930188 0.547994 0.109 Uiso 0.5 1 calc R U P B -1
H7C H 0.512210 0.911845 0.531766 0.109 Uiso 0.5 1 calc R U P B -1
C9 C 0.502(3) 1.0167(10) 0.5206(10) 0.071(2) Uani 0.5 1 d D U P B -1
H9A H 0.480746 1.052762 0.527029 0.107 Uiso 0.5 1 calc R U P B -1
H9B H 0.480899 0.993160 0.493646 0.107 Uiso 0.5 1 calc R U P B -1
H9C H 0.540478 1.025601 0.506299 0.107 Uiso 0.5 1 calc R U P B -1
C10 C 0.6832(11) 1.0577(9) 0.8647(11) 0.167(5) Uani 1 1 d D U . . .
F3 F 0.6886(13) 1.0959(10) 0.8237(9) 0.209(7) Uani 1 1 d D U . . .
C11 C 0.7248(11) 1.0962(10) 0.8936(11) 0.218(7) Uani 1 1 d D U . . .
F23 F 0.6445(11) 1.0783(10) 0.9049(11) 0.211(8) Uani 1 1 d D U . . .
F16 F 0.7171(15) 1.1552(9) 0.9019(14) 0.292(11) Uani 1 1 d D U . . .
F34 F 0.7168(17) 1.0956(15) 0.9516(11) 0.282(10) Uani 1 1 d D U . . .
F4 F 0.7783(11) 1.1068(15) 0.9027(16) 0.301(11) Uani 1 1 d D 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
O004 C00G 1.219(18) . ?
O004 Eu02 2.380(11) . ?
O005 C00V 1.54(2) . ?
O005 C01C 1.405(13) . ?
O006 C01D 1.373(12) . ?
O006 C014 1.38(2) . ?
C007 C00P 1.48(2) . ?
C007 O11 1.182(18) . ?
C007 C27 1.53(2) . ?
C02W C01K 1.3900 . ?
C02W C01F 1.3900 . ?
C02W C00F 1.538(11) . ?
C01K H01K 0.9500 . ?
C01K C008 1.3900 . ?
C008 C00A 1.3900 . ?
C008 C00G 1.49(2) . ?
C00A H00A 0.9500 . ?
C00A C00C 1.3900 . ?
C00C H00C 0.9500 . ?
C00C C01F 1.3900 . ?
C01F H01F 0.9500 . ?
C00G C19 1.52(3) . ?
O00I C16 1.241(19) . ?
O00I Eu02 2.343(13) . ?
C00J C01D 1.3900 . ?
C00J C00X 1.3900 . ?
C00J C013 1.560(11) . ?
C01D C016 1.3900 . ?
C016 C015 1.3900 . ?
C016 C011 1.541(11) . ?
C015 H015 0.9500 . ?
C015 C017 1.3900 . ?
C017 C00X 1.3900 . ?
C017 C012 1.3900 . ?
C00X C00Y 1.3900 . ?
C00Y H00Y 0.9500 . ?
C00Y C78 1.3900 . ?
C78 H78 0.9500 . ?
C78 C01J 1.3900 . ?
C01J H01J 0.9500 . ?
C01J C012 1.3900 . ?
C012 H012 0.9500 . ?
C00P C00W 1.3900 . ?
C00P C01Q 1.3900 . ?
C00W H00W 0.9500 . ?
C00W C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C00Q 1.3900 . ?
C00Q H00Q 0.9500 . ?
C00Q C011 1.3900 . ?
C011 C01Q 1.3900 . ?
C01Q H01Q 0.9500 . ?
C00V H00B 0.9900 . ?
C00V H00D 0.9900 . ?
C00V C014 1.50(3) . ?
C013 C01C 1.3900 . ?
C013 C018 1.3900 . ?
C01C C00F 1.3900 . ?
C00F C00L 1.3900 . ?
C00L H00L 0.9500 . ?
C00L C00D 1.3900 . ?
C00D C018 1.3900 . ?
C00D C00R 1.3900 . ?
C018 C010 1.3900 . ?
C010 H010 0.9500 . ?
C010 C00Z 1.3900 . ?
C00Z H00Z 0.9500 . ?
C00Z C37 1.3900 . ?
C37 H37 0.9500 . ?
C37 C00R 1.3900 . ?
C00R H00R 0.9500 . ?
C014 H01A 0.9900 . ?
C014 H01B 0.9900 . ?
C16 C19 1.34(3) . ?
C16 C8 1.53(2) . ?
O11 Eu2 2.367(11) . ?
O65 C34 1.187(11) . ?
O65 Eu2 2.394(11) . ?
C19 H19 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C34 1.49(2) . ?
C34 C2 1.53(3) . ?
N2 C4 1.503(12) . ?
N2 C4 1.503(12) 3_655 ?
N2 C4 1.503(12) 2_675 ?
N2 C4 1.503(12) 4_465 ?
N2 C3 1.506(12) . ?
N2 C3 1.506(12) 4_465 ?
N2 C3 1.506(12) 3_655 ?
N2 C3 1.506(12) 2_675 ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C3 H3A 0.9804 . ?
C3 H3B 0.9798 . ?
C3 H3C 0.9802 . ?
C1 C14 1.404(14) . ?
C1 F13 1.304(12) . ?
C1 F25 1.375(17) . ?
C1 F27 1.409(14) . ?
C8 C14 1.421(18) . ?
C8 F8 1.40(2) . ?
C8 F1 1.40(2) . ?
C14 F12 1.421(17) . ?
C14 F19 1.469(17) . ?
C2 F7 1.286(18) . ?
C2 F2 1.304(19) . ?
C2 C10 1.45(2) . ?
N1 C5 1.40(2) . ?
N1 C6 1.41(2) . ?
N1 C7 1.404(18) . ?
N1 C9 1.39(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9797 . ?
C6 H6B 0.9799 . ?
C6 H6C 0.9805 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 F3 1.34(2) . ?
C10 C11 1.488(19) . ?
C10 F23 1.41(2) . ?
C11 F16 1.392(18) . ?
C11 F34 1.420(18) . ?
C11 F4 1.28(2) . ?

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
C00G O004 Eu02 134.3(11) . . ?
C01C O005 C00V 107.6(11) . . ?
C01D O006 C014 116.9(13) . . ?
C00P C007 C27 114.9(15) . . ?
O11 C007 C00P 118.8(15) . . ?
O11 C007 C27 126.2(19) . . ?
C01K C02W C01F 120.0 . . ?
C01K C02W C00F 119.5(8) . . ?
C01F C02W C00F 120.1(8) . . ?
C02W C01K H01K 120.0 . . ?
C008 C01K C02W 120.0 . . ?
C008 C01K H01K 120.0 . . ?
C01K C008 C00A 120.0 . . ?
C01K C008 C00G 120.9(10) . . ?
C00A C008 C00G 118.6(10) . . ?
C008 C00A H00A 120.0 . . ?
C00C C00A C008 120.0 . . ?
C00C C00A H00A 120.0 . . ?
C00A C00C H00C 120.0 . . ?
C01F C00C C00A 120.0 . . ?
C01F C00C H00C 120.0 . . ?
C02W C01F H01F 120.0 . . ?
C00C C01F C02W 120.0 . . ?
C00C C01F H01F 120.0 . . ?
O004 C00G C008 117.2(16) . . ?
O004 C00G C19 121.2(18) . . ?
C008 C00G C19 120.7(14) . . ?
C16 O00I Eu02 132.8(12) . . ?
C01D C00J C013 116.2(6) . . ?
C00X C00J C013 123.8(6) . . ?
O006 C01D C00J 119.6(8) . . ?
O006 C01D C016 120.3(8) . . ?
C00J C01D C016 120.0 . . ?
C01D C016 C015 120.0 . . ?
C01D C016 C011 121.3(8) . . ?
C015 C016 C011 117.8(7) . . ?
C016 C015 H015 120.0 . . ?
C017 C015 C016 120.0 . . ?
C017 C015 H015 120.0 . . ?
C015 C017 C00X 120.0 . . ?
C015 C017 C012 120.0 . . ?
C00X C017 C012 120.0 . . ?
C017 C00X C00J 120.0 . . ?
C00Y C00X C00J 120.0 . . ?
C00Y C00X C017 120.0 . . ?
C00X C00Y H00Y 120.0 . . ?
C00X C00Y C78 120.0 . . ?
C78 C00Y H00Y 120.0 . . ?
C00Y C78 H78 120.0 . . ?
C00Y C78 C01J 120.0 . . ?
C01J C78 H78 120.0 . . ?
C78 C01J H01J 120.0 . . ?
C012 C01J C78 120.0 . . ?
C012 C01J H01J 120.0 . . ?
C017 C012 H012 120.0 . . ?
C01J C012 C017 120.0 . . ?
C01J C012 H012 120.0 . . ?
C00W C00P C007 122.1(10) . . ?
C00W C00P C01Q 120.0 . . ?
C01Q C00P C007 117.7(10) . . ?
C00P C00W H00W 120.0 . . ?
C56 C00W C00P 120.0 . . ?
C56 C00W H00W 120.0 . . ?
C00W C56 H56 120.0 . . ?
C00W C56 C00Q 120.0 . . ?
C00Q C56 H56 120.0 . . ?
C56 C00Q H00Q 120.0 . . ?
C011 C00Q C56 120.0 . . ?
C011 C00Q H00Q 120.0 . . ?
C00Q C011 C016 119.4(9) . . ?
C01Q C011 C016 120.5(9) . . ?
C01Q C011 C00Q 120.0 . . ?
C00P C01Q H01Q 120.0 . . ?
C011 C01Q C00P 120.0 . . ?
C011 C01Q H01Q 120.0 . . ?
O005 C00V H00B 110.1 . . ?
O005 C00V H00D 110.1 . . ?
H00B C00V H00D 108.4 . . ?
C014 C00V O005 108.0(14) . . ?
C014 C00V H00B 110.1 . . ?
C014 C00V H00D 110.1 . . ?
C01C C013 C00J 115.0(6) . . ?
C013 C01C O005 123.9(8) . . ?
C013 C01C C00F 120.0 . . ?
C00F C01C O005 116.0(8) . . ?
C01C C00F C02W 121.4(7) . . ?
C00L C00F C02W 118.3(7) . . ?
C00L C00F C01C 120.0 . . ?
C00F C00L H00L 120.0 . . ?
C00F C00L C00D 120.0 . . ?
C00D C00L H00L 120.0 . . ?
C00L C00D C00R 120.0 . . ?
C018 C00D C00L 120.0 . . ?
C018 C00D C00R 120.0 . . ?
C00D C018 C013 120.0 . . ?
C00D C018 C010 120.0 . . ?
C010 C018 C013 120.0 . . ?
C018 C010 H010 120.0 . . ?
C00Z C010 C018 120.0 . . ?
C00Z C010 H010 120.0 . . ?
C010 C00Z H00Z 120.0 . . ?
C010 C00Z C37 120.0 . . ?
C37 C00Z H00Z 120.0 . . ?
C00Z C37 H37 120.0 . . ?
C00R C37 C00Z 120.0 . . ?
C00R C37 H37 120.0 . . ?
C00D C00R H00R 120.0 . . ?
C37 C00R C00D 120.0 . . ?
C37 C00R H00R 120.0 . . ?
O006 C014 C00V 109.3(15) . . ?
O006 C014 H01A 109.8 . . ?
O006 C014 H01B 109.8 . . ?
C00V C014 H01A 109.8 . . ?
C00V C014 H01B 109.8 . . ?
H01A C014 H01B 108.3 . . ?
O00I C16 C19 131.4(18) . . ?
O00I C16 C8 111.5(16) . . ?
C19 C16 C8 113.1(16) . . ?
O004 Eu02 O004 73.4(2) 2_675 4_465 ?
O004 Eu02 O004 115.5(5) 2_675 . ?
O004 Eu02 O004 73.4(2) 4_465 . ?
O004 Eu02 O004 115.5(5) 3_655 4_465 ?
O004 Eu02 O004 73.4(2) 2_675 3_655 ?
O004 Eu02 O004 73.5(2) 3_655 . ?
O00I Eu02 O004 145.4(3) 4_465 3_655 ?
O00I Eu02 O004 136.9(3) 2_675 4_465 ?
O00I Eu02 O004 76.7(4) 4_465 2_675 ?
O00I Eu02 O004 71.2(4) 3_655 3_655 ?
O00I Eu02 O004 71.2(4) 4_465 4_465 ?
O00I Eu02 O004 136.9(3) . 3_655 ?
O00I Eu02 O004 136.9(3) 4_465 . ?
O00I Eu02 O004 145.4(3) 2_675 . ?
O00I Eu02 O004 71.2(4) . . ?
O00I Eu02 O004 136.9(3) 3_655 2_675 ?
O00I Eu02 O004 76.7(4) . 4_465 ?
O00I Eu02 O004 71.2(4) 2_675 2_675 ?
O00I Eu02 O004 145.4(3) . 2_675 ?
O00I Eu02 O004 145.4(3) 3_655 4_465 ?
O00I Eu02 O004 76.7(4) 3_655 . ?
O00I Eu02 O004 76.7(4) 2_675 3_655 ?
O00I Eu02 O00I 124.1(7) 2_675 . ?
O00I Eu02 O00I 77.3(3) 3_655 2_675 ?
O00I Eu02 O00I 77.3(3) 3_655 . ?
O00I Eu02 O00I 124.1(7) 3_655 4_465 ?
O00I Eu02 O00I 77.3(3) 4_465 . ?
O00I Eu02 O00I 77.3(3) 2_675 4_465 ?
C007 O11 Eu2 136.4(14) . . ?
C34 O65 Eu2 137.0(13) . . ?
C00G C19 H19 120.7 . . ?
C16 C19 C00G 118.6(17) . . ?
C16 C19 H19 120.7 . . ?
C007 C27 H27A 108.5 . . ?
C007 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C34 C27 C007 115.2(17) . . ?
C34 C27 H27A 108.5 . . ?
C34 C27 H27B 108.5 . . ?
O65 C34 C27 126.8(18) . . ?
O65 C34 C2 119.9(16) . . ?
C27 C34 C2 111.8(13) . . ?
O11 Eu2 O11 71.4(2) 4_465 2_675 ?
O11 Eu2 O11 111.2(5) 2_675 . ?
O11 Eu2 O11 71.4(2) 3_655 . ?
O11 Eu2 O11 111.2(5) 4_465 3_655 ?
O11 Eu2 O11 71.4(2) 3_655 2_675 ?
O11 Eu2 O11 71.4(2) 4_465 . ?
O11 Eu2 O65 70.6(5) 3_655 3_655 ?
O11 Eu2 O65 135.0(5) 2_675 4_465 ?
O11 Eu2 O65 70.6(5) 2_675 2_675 ?
O11 Eu2 O65 146.2(5) . 2_675 ?
O11 Eu2 O65 77.9(5) 4_465 2_675 ?
O11 Eu2 O65 135.0(5) 3_655 2_675 ?
O11 Eu2 O65 146.2(5) 3_655 4_465 ?
O11 Eu2 O65 77.9(5) 2_675 3_655 ?
O11 Eu2 O65 77.9(5) 3_655 . ?
O11 Eu2 O65 77.9(5) . 4_465 ?
O11 Eu2 O65 146.2(5) 2_675 . ?
O11 Eu2 O65 135.0(5) . 3_655 ?
O11 Eu2 O65 70.6(5) 4_465 4_465 ?
O11 Eu2 O65 146.2(5) 4_465 3_655 ?
O11 Eu2 O65 135.0(5) 4_465 . ?
O11 Eu2 O65 70.6(5) . . ?
O65 Eu2 O65 78.8(2) . 4_465 ?
O65 Eu2 O65 78.8(2) 4_465 2_675 ?
O65 Eu2 O65 78.8(2) 3_655 . ?
O65 Eu2 O65 127.6(6) 3_655 4_465 ?
O65 Eu2 O65 127.6(6) . 2_675 ?
O65 Eu2 O65 78.8(2) 3_655 2_675 ?
C4 N2 C4 73.5(14) 3_655 . ?
C4 N2 C4 73.5(14) 4_465 . ?
C4 N2 C4 73.5(14) 3_655 2_675 ?
C4 N2 C4 116(3) 2_675 . ?
C4 N2 C3 98(2) 4_465 2_675 ?
C4 N2 C3 165(2) 4_465 3_655 ?
C4 N2 C3 71.6(18) 2_675 2_675 ?
C4 N2 C3 98(2) 2_675 3_655 ?
C4 N2 C3 71.6(18) 3_655 3_655 ?
C4 N2 C3 121(2) 3_655 2_675 ?
C4 N2 C3 165(2) . 2_675 ?
C4 N2 C3 121(2) . 3_655 ?
C3 N2 C3 104.4(19) . 2_675 ?
C3 N2 C3 104.4(19) 4_465 3_655 ?
C3 N2 C3 67.9(10) 2_675 3_655 ?
C3 N2 C3 67.9(10) 4_465 . ?
C3 N2 C3 67.9(10) 4_465 2_675 ?
C3 N2 C3 67.9(10) . 3_655 ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C3 H3A 109.8 . . ?
N2 C3 H3B 109.9 . . ?
N2 C3 H3C 108.7 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.4 . . ?
H3B C3 H3C 109.5 . . ?
C14 C1 F27 109.4(16) . . ?
F13 C1 C14 144.0(19) . . ?
F13 C1 F25 93.3(16) . . ?
F13 C1 F27 88.8(15) . . ?
F25 C1 C14 118.4(17) . . ?
F25 C1 F27 85.0(17) . . ?
C14 C8 C16 126.7(16) . . ?
F8 C8 C16 110.6(15) . . ?
F8 C8 C14 96.2(14) . . ?
F1 C8 C16 104.2(15) . . ?
F1 C8 C14 110.6(18) . . ?
F1 C8 F8 107(2) . . ?
C1 C14 C8 125.2(15) . . ?
C1 C14 F12 109(2) . . ?
C1 C14 F19 96.4(12) . . ?
C8 C14 F12 112.5(15) . . ?
C8 C14 F19 102.1(17) . . ?
F12 C14 F19 110(3) . . ?
F7 C2 C34 114.7(18) . . ?
F7 C2 F2 119.2(18) . . ?
F7 C2 C10 105.2(16) . . ?
F2 C2 C34 106.1(16) . . ?
F2 C2 C10 106(2) . . ?
C10 C2 C34 104.4(17) . . ?
C5 N1 C6 103(2) . . ?
C5 N1 C7 111(2) . . ?
C7 N1 C6 107(2) . . ?
C9 N1 C5 115(2) . . ?
C9 N1 C6 113(3) . . ?
C9 N1 C7 108(2) . . ?
N1 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
N1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 H6A 103.6 . . ?
N1 C6 H6B 110.6 . . ?
N1 C6 H6C 114.0 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.4 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C10 C11 124.8(18) . . ?
F3 C10 C2 122(2) . . ?
F3 C10 C11 84.0(16) . . ?
F3 C10 F23 110.6(19) . . ?
F23 C10 C2 121(2) . . ?
F23 C10 C11 83.3(14) . . ?
F16 C11 C10 124.9(19) . . ?
F16 C11 F34 81.3(13) . . ?
F34 C11 C10 112.2(18) . . ?
F4 C11 C10 145.3(19) . . ?
F4 C11 F16 84.9(15) . . ?
F4 C11 F34 87.6(13) . . ?

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
O004 C00G C19 C16 1(3) . . . . ?
O005 C00V C014 O006 60.6(19) . . . . ?
O005 C01C C00F C02W -10.1(10) . . . . ?
O005 C01C C00F C00L 176.8(9) . . . . ?
O006 C01D C016 C015 176.5(9) . . . . ?
O006 C01D C016 C011 7.6(11) . . . . ?
C007 C00P C00W C56 -175.2(15) . . . . ?
C007 C00P C01Q C011 175.4(14) . . . . ?
C007 C27 C34 O65 -17(3) . . . . ?
C007 C27 C34 C2 177.0(17) . . . . ?
C02W C01K C008 C00A 0.0 . . . . ?
C02W C01K C008 C00G 171.9(13) . . . . ?
C02W C00F C00L C00D -173.2(9) . . . . ?
C01K C02W C01F C00C 0.0 . . . . ?
C01K C02W C00F C01C 134.8(7) . . . . ?
C01K C02W C00F C00L -52.0(9) . . . . ?
C01K C008 C00A C00C 0.0 . . . . ?
C01K C008 C00G O004 -26(2) . . . . ?
C01K C008 C00G C19 143.5(14) . . . . ?
C008 C00A C00C C01F 0.0 . . . . ?
C008 C00G C19 C16 -167.4(18) . . . . ?
C00A C008 C00G O004 146.4(14) . . . . ?
C00A C008 C00G C19 -45(2) . . . . ?
C00A C00C C01F C02W 0.0 . . . . ?
C01F C02W C01K C008 0.0 . . . . ?
C01F C02W C00F C01C -52.4(10) . . . . ?
C01F C02W C00F C00L 120.8(7) . . . . ?
C00G C008 C00A C00C -172.1(13) . . . . ?
O00I C16 C19 C00G -20(3) . . . . ?
O00I C16 C8 C14 -74(2) . . . . ?
O00I C16 C8 F8 170.7(18) . . . . ?
O00I C16 C8 F1 56(2) . . . . ?
C00J C01D C016 C015 0.0 . . . . ?
C00J C01D C016 C011 -168.9(9) . . . . ?
C00J C00X C00Y C78 180.0 . . . . ?
C00J C013 C01C O005 6.7(8) . . . . ?
C00J C013 C01C C00F -176.8(8) . . . . ?
C00J C013 C018 C00D 176.4(9) . . . . ?
C00J C013 C018 C010 -3.6(9) . . . . ?
C01D O006 C014 C00V -98.4(18) . . . . ?
C01D C00J C00X C017 0.0 . . . . ?
C01D C00J C00X C00Y 180.0 . . . . ?
C01D C00J C013 C01C -67.3(6) . . . . ?
C01D C00J C013 C018 116.1(6) . . . . ?
C01D C016 C015 C017 0.0 . . . . ?
C01D C016 C011 C00Q -50.2(11) . . . . ?
C01D C016 C011 C01Q 134.0(7) . . . . ?
C016 C015 C017 C00X 0.0 . . . . ?
C016 C015 C017 C012 180.0 . . . . ?
C016 C011 C01Q C00P 175.7(12) . . . . ?
C015 C016 C011 C00Q 140.7(7) . . . . ?
C015 C016 C011 C01Q -35.1(11) . . . . ?
C015 C017 C00X C00J 0.0 . . . . ?
C015 C017 C00X C00Y 180.0 . . . . ?
C015 C017 C012 C01J 180.0 . . . . ?
C017 C00X C00Y C78 0.0 . . . . ?
C00X C00J C01D O006 -176.5(9) . . . . ?
C00X C00J C01D C016 0.0 . . . . ?
C00X C00J C013 C01C 113.1(6) . . . . ?
C00X C00J C013 C018 -63.5(10) . . . . ?
C00X C017 C012 C01J 0.0 . . . . ?
C00X C00Y C78 C01J 0.0 . . . . ?
C00Y C78 C01J C012 0.0 . . . . ?
C78 C01J C012 C017 0.0 . . . . ?
C012 C017 C00X C00J 180.0 . . . . ?
C012 C017 C00X C00Y 0.0 . . . . ?
C00P C007 O11 Eu2 -163.6(10) . . . . ?
C00P C007 C27 C34 -166.1(17) . . . . ?
C00P C00W C56 C00Q 0.0 . . . . ?
C00W C00P C01Q C011 0.0 . . . . ?
C00W C56 C00Q C011 0.0 . . . . ?
C56 C00Q C011 C016 -175.8(12) . . . . ?
C56 C00Q C011 C01Q 0.0 . . . . ?
C00Q C011 C01Q C00P 0.0 . . . . ?
C011 C016 C015 C017 169.3(9) . . . . ?
C01Q C00P C00W C56 0.0 . . . . ?
C00V O005 C01C C013 95.8(11) . . . . ?
C00V O005 C01C C00F -80.9(11) . . . . ?
C013 C00J C01D O006 3.8(8) . . . . ?
C013 C00J C01D C016 -179.6(9) . . . . ?
C013 C00J C00X C017 179.6(9) . . . . ?
C013 C00J C00X C00Y -0.4(9) . . . . ?
C013 C01C C00F C02W 173.0(9) . . . . ?
C013 C01C C00F C00L 0.0 . . . . ?
C013 C018 C010 C00Z 180.0 . . . . ?
C01C O005 C00V C014 -95.9(15) . . . . ?
C01C C013 C018 C00D 0.0 . . . . ?
C01C C013 C018 C010 180.0 . . . . ?
C01C C00F C00L C00D 0.0 . . . . ?
C00F C02W C01K C008 172.8(11) . . . . ?
C00F C02W C01F C00C -172.8(11) . . . . ?
C00F C00L C00D C018 0.0 . . . . ?
C00F C00L C00D C00R 180.0 . . . . ?
C00L C00D C018 C013 0.0 . . . . ?
C00L C00D C018 C010 180.0 . . . . ?
C00L C00D C00R C37 180.0 . . . . ?
C00D C018 C010 C00Z 0.0 . . . . ?
C018 C013 C01C O005 -176.6(9) . . . . ?
C018 C013 C01C C00F 0.0 . . . . ?
C018 C00D C00R C37 0.0 . . . . ?
C018 C010 C00Z C37 0.0 . . . . ?
C010 C00Z C37 C00R 0.0 . . . . ?
C00Z C37 C00R C00D 0.0 . . . . ?
C00R C00D C018 C013 180.0 . . . . ?
C00R C00D C018 C010 0.0 . . . . ?
C014 O006 C01D C00J 102.6(13) . . . . ?
C014 O006 C01D C016 -73.9(14) . . . . ?
C16 C8 C14 C1 159.9(18) . . . . ?
C16 C8 C14 F12 -64(4) . . . . ?
C16 C8 C14 F19 53(3) . . . . ?
Eu02 O004 C00G C008 -157.3(10) . . . . ?
Eu02 O004 C00G C19 34(3) . . . . ?
Eu02 O00I C16 C19 4(3) . . . . ?
Eu02 O00I C16 C8 159.3(10) . . . . ?
O11 C007 C00P C00W 145.1(15) . . . . ?
O11 C007 C00P C01Q -30(2) . . . . ?
O11 C007 C27 C34 10(3) . . . . ?
O65 C34 C2 F7 -167(2) . . . . ?
O65 C34 C2 F2 59(3) . . . . ?
O65 C34 C2 C10 -52(3) . . . . ?
C19 C16 C8 C14 86(2) . . . . ?
C19 C16 C8 F8 -29(2) . . . . ?
C19 C16 C8 F1 -144(2) . . . . ?
C27 C007 C00P C00W -39(2) . . . . ?
C27 C007 C00P C01Q 146.2(14) . . . . ?
C27 C007 O11 Eu2 21(3) . . . . ?
C27 C34 C2 F7 0(3) . . . . ?
C27 C34 C2 F2 -133.8(19) . . . . ?
C27 C34 C2 C10 115(2) . . . . ?
C34 C2 C10 F3 -68(3) . . . . ?
C34 C2 C10 C11 -175(2) . . . . ?
C34 C2 C10 F23 81(3) . . . . ?
Eu2 O65 C34 C27 -5(3) . . . . ?
Eu2 O65 C34 C2 159.6(14) . . . . ?
C8 C16 C19 C00G -175.3(16) . . . . ?
F8 C8 C14 C1 -79(2) . . . . ?
F8 C8 C14 F12 57(3) . . . . ?
F8 C8 C14 F19 174(2) . . . . ?
F1 C8 C14 C1 33(3) . . . . ?
F1 C8 C14 F12 168(3) . . . . ?
F1 C8 C14 F19 -74(3) . . . . ?
F13 C1 C14 C8 97(4) . . . . ?
F13 C1 C14 F12 -40(4) . . . . ?
F13 C1 C14 F19 -153(3) . . . . ?
F25 C1 C14 C8 -51(3) . . . . ?
F25 C1 C14 F12 172(4) . . . . ?
F25 C1 C14 F19 58(3) . . . . ?
F27 C1 C14 C8 -146(3) . . . . ?
F27 C1 C14 F12 77(4) . . . . ?
F27 C1 C14 F19 -37(3) . . . . ?
C2 C10 C11 F16 -180(3) . . . . ?
C2 C10 C11 F34 -85(3) . . . . ?
C2 C10 C11 F4 36(5) . . . . ?
F7 C2 C10 F3 53(3) . . . . ?
F7 C2 C10 C11 -54(3) . . . . ?
F7 C2 C10 F23 -158(2) . . . . ?
F2 C2 C10 F3 -180(2) . . . . ?
F2 C2 C10 C11 74(2) . . . . ?
F2 C2 C10 F23 -31(3) . . . . ?
F3 C10 C11 F16 55(3) . . . . ?
F3 C10 C11 F34 150(2) . . . . ?
F3 C10 C11 F4 -90(4) . . . . ?
F23 C10 C11 F16 -57(2) . . . . ?
F23 C10 C11 F34 38(3) . . . . ?
F23 C10 C11 F4 159(4) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.005 -0.002 -0.002 5495 1731 '1 ?'
2 0.000 0.000 0.500 24 3 '0.5 ?'
3 0.500 0.500 0.500 24 4 '0.5 ?'

_platon_squeeze_void_probe_radius 1.20
# end Validation Reply Form
_olex2_exptl_crystal_mounting_method 'low temperature'
_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
;
# start Validation Reply Form
_vrf_PLAT082_2023113001_auto_sq  
;
PROBLEM: High R1 Value ..................................       0.16 Report
RESPONSE: This is due to weak diffraction of the crystal.
;
_vrf_PLAT084_2023113001_auto_sq  
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.44 Report
RESPONSE: This is due to weak diffraction of the crystal.
;
_vrf_PLAT234_2023113001_auto_sq  
;
PROBLEM: Large Hirshfeld Difference F13      --C1       .       0.30 Ang.
RESPONSE: This is due to weak diffraction of the crystal.
;
_vrf_PLAT242_2023113001_auto_sq  
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        C14 Check
RESPONSE: Crystal signal-to-noise ratio is low.
;
_vrf_PLAT910_2023113001_auto_sq  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         29 Note
RESPONSE: There are a lot of solvents in the crystal and you can't resolve all 
the solvents.
;
_vrf_PLAT987_2023113001_auto_sq  
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check
RESPONSE: A high flack value may be affected by the crystal mass, but its 
absolute configuration can still be determined.
;
