# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_1


# ===========================================================================
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_audit_creation_date             '17 June 2014'
# ============================================================================

#============================================================================
# start Validation Reply Form

# Alerts Level A
_vrf_PLAT780_1                   
;
PROBLEM:  Coordinates do not Form a Properly Connected Set 
RESPONSE: In order for the tris(3,5-dimethyl-1-pyrazolyl)methane moiety to be
inside the unit cell boundaries, and due to the weak Na-N interactions, this
organic molecule appears in the asymmetric unit detached from the cation, hence
this alert. Otherwise, if connected, PLATON asks for all centers of gravity of
the composing moieties to be inside the unit cell.
;

# Alerts Level B
_vrf_PLAT201_1                   
;
PROBLEM:  Isotropic non-H Atoms in Main Residue(s)   
RESPONSE: This alert arises from the disordered -CF3 groups which were modelled
assuming isotropic displacement parameters. See the ESI of the paper for 
additional details on the crystal structure refinement.
;

_vrf_PLAT910_1                   
;
PROBLEM:  Missing # of FCF Reflections Below Th(Min)
RESPONSE: Because the data set is over 99% complete, we do not believe that 
additional data acquisition will improve the quality of the proposed structural
model.
;

# Alerts level C
_vrf_PLAT041_1                   
;
PROBLEM:  Calc. and Reported SumFormula    Strings  Differ 
RESPONSE: As stated in the technical section in the ESI of the manuscript, the
hydrogen atoms associated with the disordered water molecules of crystallisation
have been included in the empirical formula of the compound even though they
do not belong to the proposed model. This gives rise to this, and other, 
alert(s).
;

_vrf_PLAT068_1                   
;
PROBLEM:  Reported F000 Differs from Calcd (or Missing)
RESPONSE: Please see our response to _vrf_PLAT041_1.
;

# end Validation Reply Form
#==============================================================================

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C45 H37 Eu F9 N6 Na O8), H2 O'
_chemical_formula_sum            'C90 H76 Eu2 F18 N12 Na2 O17'
_chemical_formula_weight         2289.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#==============================================================================
# CRYSTAL DATA
#==============================================================================

_space_group_crystal_system      Monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.2602(6)
_cell_length_b                   16.4953(6)
_cell_length_c                   19.5100(7)
_cell_angle_alpha                90
_cell_angle_beta                 92.256(2)
_cell_angle_gamma                90
_cell_volume                     4907.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9628
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      23.33

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_F_000             2292
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.379
_shelx_estimated_absorpt_T_min   0.770
_shelx_estimated_absorpt_T_max   0.852
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
 SADABS (Sheldrick, 1997)
;

#==============================================================================
# EXPERIMENTAL DATA
#==============================================================================  

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'ω / φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            89952
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.532
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             11036
_reflns_number_gt                7231
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 2012.4 (Bruker AXS Inc., 2012)'
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2014)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2014)'

#=============================================================================
# REFINEMENT DATA
#=============================================================================

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0418P)²+37.0594P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11036
_refine_ls_number_parameters     633
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1220
_refine_ls_R_factor_gt           0.0675
_refine_ls_wR_factor_ref         0.1777
_refine_ls_wR_factor_gt          0.1474
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

#=============================================================================
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
#=============================================================================

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.07789(2) 0.03645(2) 0.42699(2) 0.03823(13) Uani 1 1 d . . . . .
O1 O 0.1407(3) 0.0057(3) 0.3209(3) 0.0437(12) Uani 1 1 d . . . . .
O2 O 0.2210(3) -0.0082(3) 0.4532(2) 0.0423(12) Uani 1 1 d . . . . .
O3 O 0.0757(3) 0.0183(3) 0.5463(2) 0.0405(12) Uani 1 1 d . . . . .
O4 O 0.0472(3) -0.0117(3) 0.6516(2) 0.0414(12) Uani 1 1 d . . . . .
O5 O 0.1721(4) 0.1572(4) 0.4250(3) 0.0541(14) Uani 1 1 d . . . . .
O6 O 0.0745(3) 0.1623(3) 0.3375(3) 0.0456(13) Uani 1 1 d . . . . .
O7 O -0.0077(4) 0.1463(3) 0.4708(3) 0.0512(14) Uani 1 1 d . . . . .
O8 O -0.0746(3) 0.1093(3) 0.5677(3) 0.0380(11) Uani 1 1 d . . . . .
C17 C 0.2320(3) -0.0164(3) 0.2309(3) 0.075(3) Uani 1 1 d D . . . .
C18 C 0.2188(5) -0.0181(4) 0.3062(4) 0.0452(19) Uani 1 1 d . . . . .
C19 C 0.2865(5) -0.0380(5) 0.3495(4) 0.052(2) Uani 1 1 d . . . . .
H19 H 0.3394 -0.0550 0.3297 0.062 Uiso 1 1 calc R U . . .
C20 C 0.2854(4) -0.0358(4) 0.4226(4) 0.0390(15) Uani 1 1 d . . . . .
C21 C 0.3613(5) -0.0646(4) 0.4659(4) 0.0406(17) Uani 1 1 d . . . . .
C22 C 0.3538(5) -0.0694(5) 0.5352(4) 0.0440(18) Uani 1 1 d . . . . .
H22 H 0.2994 -0.0548 0.5539 0.053 Uiso 1 1 calc R U . . .
C23 C 0.4228(5) -0.0950(5) 0.5808(5) 0.051(2) Uani 1 1 d . . . . .
C24 C 0.5044(5) -0.1154(5) 0.5529(5) 0.054(2) Uani 1 1 d . . . . .
C25 C 0.5111(6) -0.1094(6) 0.4806(5) 0.064(3) Uani 1 1 d . . . . .
H25 H 0.5652 -0.1228 0.4609 0.077 Uiso 1 1 calc R U . . .
C26 C 0.4426(5) -0.0852(5) 0.4386(5) 0.057(2) Uani 1 1 d . . . . .
H26 H 0.4497 -0.0821 0.3905 0.068 Uiso 1 1 calc R U . . .
C27 C 0.4168(6) -0.0970(6) 0.6516(5) 0.059(2) Uani 1 1 d . . . . .
H27 H 0.3629 -0.0827 0.6711 0.070 Uiso 1 1 calc R U . . .
C28 C 0.4861(6) -0.1189(6) 0.6941(6) 0.073(3) Uani 1 1 d . . . . .
H28 H 0.4801 -0.1197 0.7424 0.087 Uiso 1 1 calc R U . . .
C29 C 0.5662(6) -0.1404(6) 0.6659(7) 0.077(3) Uani 1 1 d . . . . .
H29 H 0.6144 -0.1563 0.6952 0.092 Uiso 1 1 calc R U . . .
C30 C 0.5746(6) -0.1384(6) 0.5975(6) 0.068(3) Uani 1 1 d . . . . .
H30 H 0.6291 -0.1528 0.5789 0.082 Uiso 1 1 calc R U . . .
C31 C 0.0976(4) 0.0213(4) 0.6095(4) 0.0378(16) Uani 1 1 d . . . . .
C32 C 0.1784(5) 0.0638(5) 0.6330(4) 0.0392(17) Uani 1 1 d . . . . .
C33 C 0.2151(5) 0.1230(5) 0.5884(4) 0.049(2) Uani 1 1 d . . . . .
H33 H 0.1864 0.1355 0.5456 0.059 Uiso 1 1 calc R U . . .
C34 C 0.2908(5) 0.1608(5) 0.6077(5) 0.054(2) Uani 1 1 d . . . . .
H34 H 0.3145 0.2009 0.5787 0.065 Uiso 1 1 calc R U . . .
C35 C 0.3350(5) 0.1412(6) 0.6709(5) 0.056(2) Uani 1 1 d . . . . .
C36 C 0.2981(5) 0.0839(6) 0.7158(4) 0.052(2) Uani 1 1 d . . . . .
C37 C 0.2167(5) 0.0470(5) 0.6938(4) 0.051(2) Uani 1 1 d . . . . .
H37 H 0.1894 0.0097 0.7234 0.062 Uiso 1 1 calc R U . . .
C38 C 0.4157(6) 0.1787(7) 0.6917(5) 0.069(3) Uani 1 1 d . . . . .
H38 H 0.4411 0.2177 0.6627 0.082 Uiso 1 1 calc R U . . .
C39 C 0.4559(7) 0.1598(8) 0.7512(7) 0.091(4) Uani 1 1 d . . . . .
H39 H 0.5090 0.1866 0.7646 0.109 Uiso 1 1 calc R U . . .
C40 C 0.4211(7) 0.1007(9) 0.7948(6) 0.092(4) Uani 1 1 d . . . . .
H40 H 0.4515 0.0870 0.8366 0.111 Uiso 1 1 calc R U . . .
C41 C 0.3438(6) 0.0633(7) 0.7770(5) 0.069(3) Uani 1 1 d . . . . .
H41 H 0.3210 0.0231 0.8062 0.083 Uiso 1 1 calc R U . . .
C42 C 0.1374(5) 0.1884(5) 0.3732(4) 0.0456(18) Uani 1 1 d . . . . .
C43 C 0.1779(3) 0.2692(4) 0.3531(3) 0.061(2) Uani 1 1 d D . . . .
C44 C -0.0517(5) 0.1574(5) 0.5232(4) 0.0484(19) Uani 1 1 d . . . . .
C45 C -0.0802(5) 0.2446(4) 0.5353(4) 0.098(4) Uani 1 1 d D . . . .
F1 F 0.2079(5) 0.0539(4) 0.2030(4) 0.191(6) Uani 1 1 d D . . . .
F2 F 0.1840(4) -0.0722(5) 0.1980(3) 0.137(4) Uani 1 1 d D . . . .
F3 F 0.3136(3) -0.0286(4) 0.2124(3) 0.101(2) Uani 1 1 d D . . . .
F4 F 0.2542(4) 0.2882(6) 0.3837(4) 0.0839(15) Uiso 0.614(7) 1 d D U P A 1
F5 F 0.1888(6) 0.2787(5) 0.2865(3) 0.0839(15) Uiso 0.614(7) 1 d D U P A 1
F6 F 0.1227(5) 0.3272(5) 0.3704(4) 0.0839(15) Uiso 0.614(7) 1 d D U P A 1
F4' F 0.1714(9) 0.3318(6) 0.3953(5) 0.0839(15) Uiso 0.386(7) 1 d D U P A 2
F5' F 0.2633(4) 0.2569(8) 0.3475(7) 0.0839(15) Uiso 0.386(7) 1 d D U P A 2
F6' F 0.1493(8) 0.2960(7) 0.2921(4) 0.0839(15) Uiso 0.386(7) 1 d D U P A 2
F7 F -0.0182(6) 0.2805(8) 0.5739(5) 0.119(2) Uiso 0.538(7) 1 d D U P B 1
F8 F -0.1540(6) 0.2557(8) 0.5676(6) 0.119(2) Uiso 0.538(7) 1 d D U P B 1
F9 F -0.0882(8) 0.2888(7) 0.4786(4) 0.119(2) Uiso 0.538(7) 1 d D U P B 1
F7' F -0.0384(8) 0.3005(7) 0.5003(6) 0.119(2) Uiso 0.462(7) 1 d D U P B 2
F8' F -0.0825(9) 0.2727(8) 0.5989(4) 0.119(2) Uiso 0.462(7) 1 d D U P B 2
F9' F -0.1625(5) 0.2463(9) 0.5109(7) 0.119(2) Uiso 0.462(7) 1 d D U P B 2
N1 N 0.8632(4) 0.1193(4) 0.2228(3) 0.0457(16) Uani 1 1 d . . . . .
N2 N 0.8268(4) 0.1051(5) 0.1585(3) 0.0510(17) Uani 1 1 d . . . . .
N3 N 0.9509(4) -0.0387(4) 0.1837(3) 0.0499(16) Uani 1 1 d . . . . .
N4 N 0.8898(4) -0.0240(5) 0.1329(3) 0.0524(17) Uani 1 1 d . . . . .
N5 N 1.0129(4) 0.1272(4) 0.1308(3) 0.0454(15) Uani 1 1 d . . . . .
N6 N 0.9483(4) 0.0980(5) 0.0854(3) 0.0529(18) Uani 1 1 d . . . . .
C1 C 0.8729(5) 0.0572(6) 0.1084(4) 0.054(2) Uani 1 1 d . . . . .
H1 H 0.8318 0.0517 0.0674 0.065 Uiso 1 1 calc R U . . .
C2 C 0.8233(6) 0.1906(6) 0.3272(4) 0.060(2) Uani 1 1 d . . . . .
H2A H 0.8818 0.1720 0.3427 0.090 Uiso 1 1 calc R U . . .
H2B H 0.7793 0.1675 0.3569 0.090 Uiso 1 1 calc R U . . .
H2C H 0.8209 0.2499 0.3296 0.090 Uiso 1 1 calc R U . . .
C3 C 0.8046(5) 0.1636(5) 0.2542(4) 0.051(2) Uani 1 1 d . . . . .
C4 C 0.7301(6) 0.1780(6) 0.2105(5) 0.062(2) Uani 1 1 d . . . . .
H4 H 0.6791 0.2077 0.2213 0.075 Uiso 1 1 calc R U . . .
C5 C 0.7458(5) 0.1415(6) 0.1503(5) 0.060(2) Uani 1 1 d . . . . .
C6 C 0.6922(7) 0.1401(8) 0.0844(6) 0.085(3) Uani 1 1 d . . . . .
H6A H 0.7255 0.1651 0.0480 0.128 Uiso 1 1 calc R U . . .
H6B H 0.6377 0.1704 0.0900 0.128 Uiso 1 1 calc R U . . .
H6C H 0.6782 0.0839 0.0719 0.128 Uiso 1 1 calc R U . . .
C7 C 1.0004(7) -0.1576(6) 0.2508(5) 0.074(3) Uani 1 1 d . . . . .
H7A H 1.0383 -0.1171 0.2737 0.111 Uiso 1 1 calc R U . . .
H7B H 1.0367 -0.1991 0.2299 0.111 Uiso 1 1 calc R U . . .
H7C H 0.9631 -0.1830 0.2845 0.111 Uiso 1 1 calc R U . . .
C8 C 0.9449(6) -0.1178(5) 0.1971(4) 0.054(2) Uani 1 1 d . . . . .
C9 C 0.8809(6) -0.1536(6) 0.1527(5) 0.065(3) Uani 1 1 d . . . . .
H9 H 0.8660 -0.2095 0.1502 0.078 Uiso 1 1 calc R U . . .
C10 C 0.8449(6) -0.0936(6) 0.1144(5) 0.061(2) Uani 1 1 d . . . . .
C11 C 0.7739(7) -0.0946(8) 0.0584(6) 0.086(3) Uani 1 1 d . . . . .
H11A H 0.7556 -0.1507 0.0493 0.129 Uiso 1 1 calc R U . . .
H11B H 0.7965 -0.0709 0.0165 0.129 Uiso 1 1 calc R U . . .
H11C H 0.7236 -0.0630 0.0729 0.129 Uiso 1 1 calc R U . . .
C12 C 1.1443(6) 0.2115(6) 0.1240(5) 0.066(3) Uani 1 1 d . . . . .
H12A H 1.1978 0.1852 0.1087 0.099 Uiso 1 1 calc R U . . .
H12B H 1.1427 0.2083 0.1741 0.099 Uiso 1 1 calc R U . . .
H12C H 1.1441 0.2685 0.1098 0.099 Uiso 1 1 calc R U . . .
C13 C 1.0653(6) 0.1694(5) 0.0922(4) 0.054(2) Uani 1 1 d . . . . .
C14 C 1.0346(7) 0.1678(7) 0.0232(4) 0.068(3) Uani 1 1 d . . . . .
H14 H 1.0604 0.1948 -0.0140 0.082 Uiso 1 1 calc R U . . .
C15 C 0.9616(6) 0.1209(7) 0.0194(4) 0.063(3) Uani 1 1 d . . . . .
C16 C 0.9048(8) 0.0949(9) -0.0410(5) 0.100(4) Uani 1 1 d . . . . .
H16A H 0.8975 0.0359 -0.0401 0.151 Uiso 1 1 calc R U . . .
H16B H 0.9325 0.1108 -0.0835 0.151 Uiso 1 1 calc R U . . .
H16C H 0.8473 0.1211 -0.0389 0.151 Uiso 1 1 calc R U . . .
Na1 Na 0.01458(18) 0.07365(18) 0.25027(14) 0.0408(7) Uani 1 1 d . . . . .
O1W O 0.005(2) 0.5104(19) 0.4718(14) 0.085(9) Uiso 0.25 1 d . . P . .
O2W O 0.0728(18) 0.5162(16) 0.4363(14) 0.071(7) Uiso 0.25 1 d . . P . .


_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.
;

#=============================================================================
# GEOMETRY
#=============================================================================

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O2 2.342(5) . ?
Eu1 O3 2.349(5) . ?
Eu1 O1 2.370(5) . ?
Eu1 O8 2.408(5) 3_556 ?
Eu1 O7 2.410(5) . ?
Eu1 O4 2.434(5) 3_556 ?
Eu1 O5 2.457(5) . ?
Eu1 O3 2.584(5) 3_556 ?
Eu1 O6 2.712(5) . ?
Eu1 C42 2.878(8) . ?
Eu1 C31 2.904(7) 3_556 ?
Eu1 Na1 3.596(3) . ?
O1 C18 1.298(9) . ?
O1 Na1 2.578(6) . ?
O2 C20 1.256(8) . ?
O3 C31 1.264(8) . ?
O3 Eu1 2.584(5) 3_556 ?
O4 C31 1.270(8) . ?
O4 Na1 2.396(6) 3_556 ?
O4 Eu1 2.435(5) 3_556 ?
O5 C42 1.235(9) . ?
O6 C42 1.241(9) . ?
O6 Na1 2.397(6) . ?
O7 C44 1.259(10) . ?
O8 C44 1.236(10) . ?
O8 Eu1 2.408(5) 3_556 ?
C17 F1 1.326(3) . ?
C17 F2 1.326(3) . ?
C17 F3 1.326(3) . ?
C17 C18 1.491(10) . ?
C18 C19 1.349(11) . ?
C19 C20 1.426(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.485(10) . ?
C21 C22 1.364(11) . ?
C21 C26 1.411(10) . ?
C22 C23 1.415(11) . ?
C22 H22 0.9500 . ?
C23 C27 1.388(12) . ?
C23 C24 1.420(11) . ?
C24 C30 1.405(12) . ?
C24 C25 1.422(13) . ?
C25 C26 1.362(12) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.367(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.405(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.348(15) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.476(10) . ?
C31 Eu1 2.904(7) 3_556 ?
C32 C37 1.330(11) . ?
C32 C33 1.437(11) . ?
C33 C34 1.354(11) . ?
C33 H33 0.9500 . ?
C34 C35 1.419(12) . ?
C34 H34 0.9500 . ?
C35 C36 1.421(13) . ?
C35 C38 1.421(11) . ?
C36 C41 1.400(12) . ?
C36 C37 1.434(11) . ?
C37 H37 0.9500 . ?
C38 C39 1.328(15) . ?
C38 H38 0.9500 . ?
C39 C40 1.412(17) . ?
C39 H39 0.9500 . ?
C40 C41 1.364(13) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 C43 1.527(10) . ?
C43 F5 1.325(3) . ?
C43 F4 1.325(3) . ?
C43 F6 1.327(3) . ?
C43 F4' 1.327(3) . ?
C43 F6' 1.327(3) . ?
C43 F5' 1.328(3) . ?
C44 C45 1.524(11) . ?
C45 F8' 1.326(3) . ?
C45 F7' 1.326(3) . ?
C45 F8 1.326(3) . ?
C45 F9 1.326(3) . ?
C45 F9' 1.327(3) . ?
C45 F7 1.327(3) . ?
N1 C3 1.324(10) . ?
N1 N2 1.373(8) . ?
N1 Na1 2.468(7) 1_655 ?
N2 C5 1.377(11) . ?
N2 C1 1.460(10) . ?
N3 C8 1.334(11) . ?
N3 N4 1.357(9) . ?
N3 Na1 2.442(7) 1_655 ?
N4 C10 1.378(11) . ?
N4 C1 1.441(11) . ?
N5 C13 1.317(10) . ?
N5 N6 1.386(9) . ?
N5 Na1 2.492(7) 1_655 ?
N6 C15 1.364(10) . ?
N6 C1 1.421(11) . ?
C1 H1 1.0000 . ?
C2 C3 1.509(11) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.415(12) . ?
C4 C5 1.350(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.497(12) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.476(13) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.410(12) . ?
C9 C10 1.344(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.508(12) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.505(13) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.409(12) . ?
C14 C15 1.356(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.497(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
Na1 O4 2.396(6) 3_556 ?
Na1 N3 2.442(7) 1_455 ?
Na1 N1 2.468(7) 1_455 ?
Na1 N5 2.492(7) 1_455 ?
O1W O1W 1.17(5) 3_566 ?
O1W O2W 1.27(4) . ?

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
O2 Eu1 O3 78.04(16) . . ?
O2 Eu1 O1 73.61(17) . . ?
O3 Eu1 O1 149.36(17) . . ?
O2 Eu1 O8 72.39(17) . 3_556 ?
O3 Eu1 O8 80.17(18) . 3_556 ?
O1 Eu1 O8 80.40(18) . 3_556 ?
O2 Eu1 O7 132.27(18) . . ?
O3 Eu1 O7 73.45(18) . . ?
O1 Eu1 O7 135.58(19) . . ?
O8 Eu1 O7 136.33(17) 3_556 . ?
O2 Eu1 O4 141.80(17) . 3_556 ?
O3 Eu1 O4 124.15(16) . 3_556 ?
O1 Eu1 O4 75.41(16) . 3_556 ?
O8 Eu1 O4 80.93(17) 3_556 3_556 ?
O7 Eu1 O4 85.82(18) . 3_556 ?
O2 Eu1 O5 73.58(19) . . ?
O3 Eu1 O5 98.64(18) . . ?
O1 Eu1 O5 84.41(19) . . ?
O8 Eu1 O5 145.42(17) 3_556 . ?
O7 Eu1 O5 73.9(2) . . ?
O4 Eu1 O5 124.77(17) 3_556 . ?
O2 Eu1 O3 133.76(17) . 3_556 ?
O3 Eu1 O3 73.01(17) . 3_556 ?
O1 Eu1 O3 120.13(16) . 3_556 ?
O8 Eu1 O3 67.77(16) 3_556 3_556 ?
O7 Eu1 O3 71.51(17) . 3_556 ?
O4 Eu1 O3 51.19(15) 3_556 3_556 ?
O5 Eu1 O3 145.33(18) . 3_556 ?
O2 Eu1 O6 112.05(16) . . ?
O3 Eu1 O6 137.32(17) . . ?
O1 Eu1 O6 66.39(17) . . ?
O8 Eu1 O6 142.38(17) 3_556 . ?
O7 Eu1 O6 69.88(17) . . ?
O4 Eu1 O6 74.22(16) 3_556 . ?
O5 Eu1 O6 50.64(16) . . ?
O3 Eu1 O6 113.74(15) 3_556 . ?
O2 Eu1 C42 92.8(2) . . ?
O3 Eu1 C42 119.3(2) . . ?
O1 Eu1 C42 74.0(2) . . ?
O8 Eu1 C42 153.2(2) 3_556 . ?
O7 Eu1 C42 70.0(2) . . ?
O4 Eu1 C42 99.62(19) 3_556 . ?
O5 Eu1 C42 25.21(18) . . ?
O3 Eu1 C42 132.81(19) 3_556 . ?
O6 Eu1 C42 25.43(18) . . ?
O2 Eu1 C31 142.5(2) . 3_556 ?
O3 Eu1 C31 98.76(18) . 3_556 ?
O1 Eu1 C31 96.68(18) . 3_556 ?
O8 Eu1 C31 70.27(18) 3_556 3_556 ?
O7 Eu1 C31 79.99(19) . 3_556 ?
O4 Eu1 C31 25.63(18) 3_556 3_556 ?
O5 Eu1 C31 142.77(19) . 3_556 ?
O3 Eu1 C31 25.80(17) 3_556 3_556 ?
O6 Eu1 C31 95.68(18) . 3_556 ?
C42 Eu1 C31 119.8(2) . 3_556 ?
O2 Eu1 Na1 118.42(13) . . ?
O3 Eu1 Na1 163.38(12) . . ?
O1 Eu1 Na1 45.72(13) . . ?
O8 Eu1 Na1 101.89(13) 3_556 . ?
O7 Eu1 Na1 94.76(14) . . ?
O4 Eu1 Na1 41.48(12) 3_556 . ?
O5 Eu1 Na1 88.94(13) . . ?
O3 Eu1 Na1 92.35(11) 3_556 . ?
O6 Eu1 Na1 41.79(12) . . ?
C42 Eu1 Na1 65.07(16) . . ?
C31 Eu1 Na1 67.09(15) 3_556 . ?
C18 O1 Eu1 131.6(5) . . ?
C18 O1 Na1 133.4(5) . . ?
Eu1 O1 Na1 93.13(18) . . ?
C20 O2 Eu1 138.6(5) . . ?
C31 O3 Eu1 161.3(4) . . ?
C31 O3 Eu1 91.4(4) . 3_556 ?
Eu1 O3 Eu1 106.99(17) . 3_556 ?
C31 O4 Na1 165.2(5) . 3_556 ?
C31 O4 Eu1 98.3(4) . 3_556 ?
Na1 O4 Eu1 96.23(18) 3_556 3_556 ?
C42 O5 Eu1 96.8(5) . . ?
C42 O6 Na1 151.1(5) . . ?
C42 O6 Eu1 84.8(5) . . ?
Na1 O6 Eu1 89.28(18) . . ?
C44 O7 Eu1 135.3(5) . . ?
C44 O8 Eu1 132.6(5) . 3_556 ?
F1 C17 F2 105.6(3) . . ?
F1 C17 F3 105.6(3) . . ?
F2 C17 F3 105.6(3) . . ?
F1 C17 C18 112.1(5) . . ?
F2 C17 C18 111.8(5) . . ?
F3 C17 C18 115.4(5) . . ?
O1 C18 C19 128.6(8) . . ?
O1 C18 C17 111.8(6) . . ?
C19 C18 C17 119.5(7) . . ?
C18 C19 C20 125.5(7) . . ?
C18 C19 H19 117.3 . . ?
C20 C19 H19 117.3 . . ?
O2 C20 C19 121.7(7) . . ?
O2 C20 C21 116.9(6) . . ?
C19 C20 C21 121.4(6) . . ?
C22 C21 C26 118.0(7) . . ?
C22 C21 C20 119.3(6) . . ?
C26 C21 C20 122.7(7) . . ?
C21 C22 C23 123.4(7) . . ?
C21 C22 H22 118.3 . . ?
C23 C22 H22 118.3 . . ?
C27 C23 C22 123.8(8) . . ?
C27 C23 C24 117.9(8) . . ?
C22 C23 C24 118.1(8) . . ?
C30 C24 C23 119.0(9) . . ?
C30 C24 C25 123.4(8) . . ?
C23 C24 C25 117.6(8) . . ?
C26 C25 C24 122.2(8) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C25 C26 C21 120.7(9) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
C28 C27 C23 122.2(9) . . ?
C28 C27 H27 118.9 . . ?
C23 C27 H27 118.9 . . ?
C27 C28 C29 119.5(10) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 120.0(9) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C24 121.4(9) . . ?
C29 C30 H30 119.3 . . ?
C24 C30 H30 119.3 . . ?
O3 C31 O4 118.0(6) . . ?
O3 C31 C32 120.4(6) . . ?
O4 C31 C32 121.5(6) . . ?
O3 C31 Eu1 62.8(3) . 3_556 ?
O4 C31 Eu1 56.0(3) . 3_556 ?
C32 C31 Eu1 169.4(5) . 3_556 ?
C37 C32 C33 121.0(7) . . ?
C37 C32 C31 120.7(7) . . ?
C33 C32 C31 118.3(6) . . ?
C34 C33 C32 119.6(8) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.5(8) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 120.0(7) . . ?
C34 C35 C38 121.7(9) . . ?
C36 C35 C38 118.2(9) . . ?
C41 C36 C35 119.4(8) . . ?
C41 C36 C37 123.3(9) . . ?
C35 C36 C37 117.3(8) . . ?
C32 C37 C36 121.5(8) . . ?
C32 C37 H37 119.2 . . ?
C36 C37 H37 119.2 . . ?
C39 C38 C35 120.9(11) . . ?
C39 C38 H38 119.6 . . ?
C35 C38 H38 119.6 . . ?
C38 C39 C40 121.1(10) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C41 C40 C39 120.1(11) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C36 120.3(11) . . ?
C40 C41 H41 119.9 . . ?
C36 C41 H41 119.9 . . ?
O5 C42 O6 127.7(7) . . ?
O5 C42 C43 114.2(6) . . ?
O6 C42 C43 118.1(7) . . ?
O5 C42 Eu1 57.9(4) . . ?
O6 C42 Eu1 69.8(4) . . ?
C43 C42 Eu1 172.1(5) . . ?
F5 C43 F4 105.8(3) . . ?
F5 C43 F6 105.6(3) . . ?
F4 C43 F6 105.6(3) . . ?
F4' C43 F6' 105.5(3) . . ?
F4' C43 F5' 105.5(3) . . ?
F6' C43 F5' 105.4(3) . . ?
F5 C43 C42 115.0(6) . . ?
F4 C43 C42 116.6(6) . . ?
F6 C43 C42 107.3(6) . . ?
F4' C43 C42 118.6(7) . . ?
F6' C43 C42 113.6(7) . . ?
F5' C43 C42 107.2(7) . . ?
O8 C44 O7 130.7(8) . . ?
O8 C44 C45 114.0(7) . . ?
O7 C44 C45 115.3(7) . . ?
F8' C45 F7' 105.6(3) . . ?
F8 C45 F9 105.6(3) . . ?
F8' C45 F9' 105.6(3) . . ?
F7' C45 F9' 105.6(3) . . ?
F8 C45 F7 105.5(3) . . ?
F9 C45 F7 105.6(3) . . ?
F8' C45 C44 119.5(8) . . ?
F7' C45 C44 115.6(8) . . ?
F8 C45 C44 117.2(8) . . ?
F9 C45 C44 114.1(8) . . ?
F9' C45 C44 103.7(8) . . ?
F7 C45 C44 108.0(8) . . ?
C3 N1 N2 105.1(6) . . ?
C3 N1 Na1 135.4(5) . 1_655 ?
N2 N1 Na1 119.2(4) . 1_655 ?
N1 N2 C5 111.2(7) . . ?
N1 N2 C1 121.1(6) . . ?
C5 N2 C1 127.7(7) . . ?
C8 N3 N4 105.5(7) . . ?
C8 N3 Na1 131.9(5) . 1_655 ?
N4 N3 Na1 120.0(5) . 1_655 ?
N3 N4 C10 111.2(7) . . ?
N3 N4 C1 121.2(6) . . ?
C10 N4 C1 127.3(7) . . ?
C13 N5 N6 104.6(6) . . ?
C13 N5 Na1 137.5(6) . 1_655 ?
N6 N5 Na1 117.1(5) . 1_655 ?
C15 N6 N5 112.2(7) . . ?
C15 N6 C1 125.6(7) . . ?
N5 N6 C1 121.8(6) . . ?
N6 C1 N4 114.0(7) . . ?
N6 C1 N2 111.9(7) . . ?
N4 C1 N2 111.5(7) . . ?
N6 C1 H1 106.3 . . ?
N4 C1 H1 106.3 . . ?
N2 C1 H1 106.3 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 C4 110.8(7) . . ?
N1 C3 C2 119.6(7) . . ?
C4 C3 C2 129.6(8) . . ?
C5 C4 C3 106.5(8) . . ?
C5 C4 H4 126.7 . . ?
C3 C4 H4 126.7 . . ?
C4 C5 N2 106.4(8) . . ?
C4 C5 C6 130.1(9) . . ?
N2 C5 C6 123.5(9) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 C9 110.0(8) . . ?
N3 C8 C7 122.1(8) . . ?
C9 C8 C7 127.9(9) . . ?
C10 C9 C8 106.9(9) . . ?
C10 C9 H9 126.5 . . ?
C8 C9 H9 126.5 . . ?
C9 C10 N4 106.3(8) . . ?
C9 C10 C11 131.3(9) . . ?
N4 C10 C11 122.3(10) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N5 C13 C14 110.5(8) . . ?
N5 C13 C12 120.3(8) . . ?
C14 C13 C12 129.3(8) . . ?
C15 C14 C13 107.7(8) . . ?
C15 C14 H14 126.2 . . ?
C13 C14 H14 126.2 . . ?
C14 C15 N6 105.1(8) . . ?
C14 C15 C16 130.9(9) . . ?
N6 C15 C16 124.0(10) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O4 Na1 O6 81.00(19) 3_556 . ?
O4 Na1 N3 86.6(2) 3_556 1_455 ?
O6 Na1 N3 166.6(2) . 1_455 ?
O4 Na1 N1 84.8(2) 3_556 1_455 ?
O6 Na1 N1 107.2(2) . 1_455 ?
N3 Na1 N1 76.5(2) 1_455 1_455 ?
O4 Na1 N5 155.4(2) 3_556 1_455 ?
O6 Na1 N5 116.0(2) . 1_455 ?
N3 Na1 N5 77.4(2) 1_455 1_455 ?
N1 Na1 N5 73.4(2) 1_455 1_455 ?
O4 Na1 O1 72.32(18) 3_556 . ?
O6 Na1 O1 68.31(18) . . ?
N3 Na1 O1 103.1(2) 1_455 . ?
N1 Na1 O1 157.1(2) 1_455 . ?
N5 Na1 O1 129.3(2) 1_455 . ?
O4 Na1 Eu1 42.29(12) 3_556 . ?
O6 Na1 Eu1 48.93(14) . . ?
N3 Na1 Eu1 117.79(19) 1_455 . ?
N1 Na1 Eu1 118.29(16) 1_455 . ?
N5 Na1 Eu1 161.76(18) 1_455 . ?
O1 Na1 Eu1 41.16(12) . . ?
O1W O1W O2W 132(4) 3_566 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C18 C19 5.3(12) . . . . ?
Na1 O1 C18 C19 165.1(6) . . . . ?
Eu1 O1 C18 C17 -170.4(4) . . . . ?
Na1 O1 C18 C17 -10.6(9) . . . . ?
F1 C17 C18 O1 49.8(7) . . . . ?
F2 C17 C18 O1 -68.6(7) . . . . ?
F3 C17 C18 O1 170.7(5) . . . . ?
F1 C17 C18 C19 -126.3(7) . . . . ?
F2 C17 C18 C19 115.3(7) . . . . ?
F3 C17 C18 C19 -5.4(9) . . . . ?
O1 C18 C19 C20 -0.8(14) . . . . ?
C17 C18 C19 C20 174.6(7) . . . . ?
Eu1 O2 C20 C19 8.0(12) . . . . ?
Eu1 O2 C20 C21 -173.1(5) . . . . ?
C18 C19 C20 O2 -5.6(13) . . . . ?
C18 C19 C20 C21 175.5(8) . . . . ?
O2 C20 C21 C22 8.0(11) . . . . ?
C19 C20 C21 C22 -173.0(7) . . . . ?
O2 C20 C21 C26 -170.0(7) . . . . ?
C19 C20 C21 C26 8.9(12) . . . . ?
C26 C21 C22 C23 -0.9(12) . . . . ?
C20 C21 C22 C23 -179.1(7) . . . . ?
C21 C22 C23 C27 177.3(8) . . . . ?
C21 C22 C23 C24 1.1(12) . . . . ?
C27 C23 C24 C30 1.5(13) . . . . ?
C22 C23 C24 C30 177.9(8) . . . . ?
C27 C23 C24 C25 -177.1(8) . . . . ?
C22 C23 C24 C25 -0.6(12) . . . . ?
C30 C24 C25 C26 -178.5(9) . . . . ?
C23 C24 C25 C26 0.0(14) . . . . ?
C24 C25 C26 C21 0.2(14) . . . . ?
C22 C21 C26 C25 0.3(13) . . . . ?
C20 C21 C26 C25 178.3(8) . . . . ?
C22 C23 C27 C28 -177.2(9) . . . . ?
C24 C23 C27 C28 -1.0(14) . . . . ?
C23 C27 C28 C29 -0.1(16) . . . . ?
C27 C28 C29 C30 0.7(16) . . . . ?
C28 C29 C30 C24 -0.2(16) . . . . ?
C23 C24 C30 C29 -0.9(14) . . . . ?
C25 C24 C30 C29 177.6(10) . . . . ?
Eu1 O3 C31 O4 179.6(11) . . . . ?
Eu1 O3 C31 O4 10.0(7) 3_556 . . . ?
Eu1 O3 C31 C32 1(2) . . . . ?
Eu1 O3 C31 C32 -168.5(6) 3_556 . . . ?
Eu1 O3 C31 Eu1 169.6(15) . . . 3_556 ?
Na1 O4 C31 O3 159.5(15) 3_556 . . . ?
Eu1 O4 C31 O3 -10.8(7) 3_556 . . . ?
Na1 O4 C31 C32 -22(2) 3_556 . . . ?
Eu1 O4 C31 C32 167.8(6) 3_556 . . . ?
Na1 O4 C31 Eu1 170(2) 3_556 . . 3_556 ?
O3 C31 C32 C37 -158.9(7) . . . . ?
O4 C31 C32 C37 22.7(11) . . . . ?
Eu1 C31 C32 C37 96(3) 3_556 . . . ?
O3 C31 C32 C33 20.4(10) . . . . ?
O4 C31 C32 C33 -158.0(7) . . . . ?
Eu1 C31 C32 C33 -85(3) 3_556 . . . ?
C37 C32 C33 C34 1.6(12) . . . . ?
C31 C32 C33 C34 -177.7(7) . . . . ?
C32 C33 C34 C35 1.4(12) . . . . ?
C33 C34 C35 C36 -2.6(13) . . . . ?
C33 C34 C35 C38 178.5(8) . . . . ?
C34 C35 C36 C41 178.0(8) . . . . ?
C38 C35 C36 C41 -3.1(13) . . . . ?
C34 C35 C36 C37 1.0(12) . . . . ?
C38 C35 C36 C37 179.8(8) . . . . ?
C33 C32 C37 C36 -3.3(12) . . . . ?
C31 C32 C37 C36 176.0(7) . . . . ?
C41 C36 C37 C32 -175.0(9) . . . . ?
C35 C36 C37 C32 2.0(12) . . . . ?
C34 C35 C38 C39 179.7(10) . . . . ?
C36 C35 C38 C39 0.8(14) . . . . ?
C35 C38 C39 C40 1.5(18) . . . . ?
C38 C39 C40 C41 -2(2) . . . . ?
C39 C40 C41 C36 -0.8(18) . . . . ?
C35 C36 C41 C40 3.1(15) . . . . ?
C37 C36 C41 C40 180.0(10) . . . . ?
Eu1 O5 C42 O6 0.5(10) . . . . ?
Eu1 O5 C42 C43 179.6(5) . . . . ?
Na1 O6 C42 O5 -79.5(14) . . . . ?
Eu1 O6 C42 O5 -0.5(9) . . . . ?
Na1 O6 C42 C43 101.5(11) . . . . ?
Eu1 O6 C42 C43 -179.5(6) . . . . ?
Na1 O6 C42 Eu1 -79.0(10) . . . . ?
O5 C42 C43 F5 137.7(7) . . . . ?
O6 C42 C43 F5 -43.1(9) . . . . ?
O5 C42 C43 F4 13.0(9) . . . . ?
O6 C42 C43 F4 -167.8(7) . . . . ?
O5 C42 C43 F6 -105.1(7) . . . . ?
O6 C42 C43 F6 74.1(8) . . . . ?
O5 C42 C43 F4' -64.9(10) . . . . ?
O6 C42 C43 F4' 114.3(9) . . . . ?
O5 C42 C43 F6' 170.3(8) . . . . ?
O6 C42 C43 F6' -10.5(10) . . . . ?
O5 C42 C43 F5' 54.3(9) . . . . ?
O6 C42 C43 F5' -126.6(8) . . . . ?
Eu1 O8 C44 O7 -14.7(13) 3_556 . . . ?
Eu1 O8 C44 C45 166.8(4) 3_556 . . . ?
Eu1 O7 C44 O8 -10.0(14) . . . . ?
Eu1 O7 C44 C45 168.5(5) . . . . ?
O8 C44 C45 F8' 34.9(10) . . . . ?
O7 C44 C45 F8' -143.8(8) . . . . ?
O8 C44 C45 F7' 162.8(8) . . . . ?
O7 C44 C45 F7' -15.9(10) . . . . ?
O8 C44 C45 F8 -30.4(9) . . . . ?
O7 C44 C45 F8 150.9(7) . . . . ?
O8 C44 C45 F9 -154.5(7) . . . . ?
O7 C44 C45 F9 26.8(9) . . . . ?
O8 C44 C45 F9' -82.2(8) . . . . ?
O7 C44 C45 F9' 99.1(8) . . . . ?
O8 C44 C45 F7 88.5(8) . . . . ?
O7 C44 C45 F7 -90.2(8) . . . . ?
C3 N1 N2 C5 0.5(9) . . . . ?
Na1 N1 N2 C5 -174.1(6) 1_655 . . . ?
C3 N1 N2 C1 -179.6(8) . . . . ?
Na1 N1 N2 C1 5.7(10) 1_655 . . . ?
C8 N3 N4 C10 0.3(9) . . . . ?
Na1 N3 N4 C10 -163.4(5) 1_655 . . . ?
C8 N3 N4 C1 175.3(7) . . . . ?
Na1 N3 N4 C1 11.6(9) 1_655 . . . ?
C13 N5 N6 C15 1.1(9) . . . . ?
Na1 N5 N6 C15 -170.2(6) 1_655 . . . ?
C13 N5 N6 C1 -172.3(8) . . . . ?
Na1 N5 N6 C1 16.5(10) 1_655 . . . ?
C15 N6 C1 N4 113.9(9) . . . . ?
N5 N6 C1 N4 -73.7(9) . . . . ?
C15 N6 C1 N2 -118.4(9) . . . . ?
N5 N6 C1 N2 54.0(10) . . . . ?
N3 N4 C1 N6 56.0(9) . . . . ?
C10 N4 C1 N6 -129.9(8) . . . . ?
N3 N4 C1 N2 -71.9(9) . . . . ?
C10 N4 C1 N2 102.3(9) . . . . ?
N1 N2 C1 N6 -68.8(10) . . . . ?
C5 N2 C1 N6 111.0(9) . . . . ?
N1 N2 C1 N4 60.3(10) . . . . ?
C5 N2 C1 N4 -119.9(9) . . . . ?
N2 N1 C3 C4 0.1(10) . . . . ?
Na1 N1 C3 C4 173.5(6) 1_655 . . . ?
N2 N1 C3 C2 179.9(7) . . . . ?
Na1 N1 C3 C2 -6.7(13) 1_655 . . . ?
N1 C3 C4 C5 -0.7(11) . . . . ?
C2 C3 C4 C5 179.5(9) . . . . ?
C3 C4 C5 N2 0.9(11) . . . . ?
C3 C4 C5 C6 -176.6(10) . . . . ?
N1 N2 C5 C4 -1.0(11) . . . . ?
C1 N2 C5 C4 179.2(8) . . . . ?
N1 N2 C5 C6 176.8(9) . . . . ?
C1 N2 C5 C6 -3.0(15) . . . . ?
N4 N3 C8 C9 1.7(9) . . . . ?
Na1 N3 C8 C9 162.7(6) 1_655 . . . ?
N4 N3 C8 C7 -179.1(8) . . . . ?
Na1 N3 C8 C7 -18.1(13) 1_655 . . . ?
N3 C8 C9 C10 -3.2(11) . . . . ?
C7 C8 C9 C10 177.7(9) . . . . ?
C8 C9 C10 N4 3.2(10) . . . . ?
C8 C9 C10 C11 179.8(10) . . . . ?
N3 N4 C10 C9 -2.3(10) . . . . ?
C1 N4 C10 C9 -176.9(8) . . . . ?
N3 N4 C10 C11 -179.3(8) . . . . ?
C1 N4 C10 C11 6.1(14) . . . . ?
N6 N5 C13 C14 0.3(9) . . . . ?
Na1 N5 C13 C14 168.7(6) 1_655 . . . ?
N6 N5 C13 C12 179.7(8) . . . . ?
Na1 N5 C13 C12 -11.9(13) 1_655 . . . ?
N5 C13 C14 C15 -1.6(11) . . . . ?
C12 C13 C14 C15 179.2(9) . . . . ?
C13 C14 C15 N6 2.1(11) . . . . ?
C13 C14 C15 C16 -176.8(11) . . . . ?
N5 N6 C15 C14 -2.0(10) . . . . ?
C1 N6 C15 C14 171.0(9) . . . . ?
N5 N6 C15 C16 177.0(9) . . . . ?
C1 N6 C15 C16 -10.0(15) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C6 H6B F7 0.98 2.52 3.465(13) 161.9 4_665
C11 H11A F9' 0.98 2.48 3.380(16) 152.4 2_545
C12 H12A F8 0.98 2.62 3.352(12) 131.8 4_765
C12 H12B F5 0.98 2.56 3.402(12) 144.5 1_655
C16 H16C F4 0.98 2.52 3.300(14) 136.1 4_665

_refine_diff_density_max         1.609
_refine_diff_density_min         -1.140
_refine_diff_density_rms         0.130
_shelxl_version_number           2014-3

#=============================================================================
#   END
#=============================================================================
_database_code_depnum_ccdc_archive 'CCDC 1008766'
