# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_170613a
_database_code_depnum_ccdc_archive 'CCDC 1838817'
_audit_update_record             
;
2018-12-18 deposited with the CCDC.
2019-01-02 downloaded from the CCDC.
;
_audit_creation_date             2018-11-12
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C61 H40 Eu2 N3 Na O16'
_chemical_formula_sum            'C71 H62.50 Eu2 N5.50 Na O18.50'
_chemical_formula_weight         1615.67
_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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.802(2)
_cell_length_b                   16.885(2)
_cell_length_c                   30.444(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.742(2)
_cell_angle_gamma                90
_cell_volume                     8028.5(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7262
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.759
_shelx_estimated_absorpt_T_min   0.717
_exptl_absorpt_coefficient_mu    1.618
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0923 before and 0.0521 after correction. The Ratio of minimum to maximum transmission is 0.7888. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3248
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_unetI/netI     0.0943
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39955
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.776
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_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                9349
_reflns_number_total             14132
_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.

Due to a chemically unreasonable model, two high electron density peaks with 2.16 and 1.9 near O9 and O10 
can not be treated as disorder. 
The appearance of the two ghost peaks is resulting from the poor crystal qualify.
,


;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.064
_refine_diff_density_min         -1.221
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         14132
_refine_ls_number_restraints     165
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0550
_refine_ls_restrained_S_all      1.098
_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)+(0.0501P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1288
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C58-C59 = C60-C61 = C58-C59' = C60-C61'
 1.52 with sigma of 0.01
 H3A-H14
 1.95 with sigma of 0.01
 C8A-C5 = C8-C5 = C13-C12A = C13-C12
 1.49 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
N3 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12: within 2A with sigma of
0.002 and sigma for terminal atoms of 0.004
N3A \\sim C8A \\sim C9A \\sim C10A \\sim C11A \\sim C12A: within 2A with sigma
of 0.002 and sigma for terminal atoms of 0.004
C60 \\sim C61' \\sim C61 \\sim O15 \\sim O16: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01
C58 \\sim C59 \\sim C59' \\sim O13 \\sim O14: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C9) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C49)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Sof(C11A)=Sof(H11A)=Sof(C10A)=Sof(H10A)=Sof(C9A)=Sof(H9A)=Sof(C8A)=Sof(N3A)=
 Sof(H3AA)=Sof(C12A)=1-FVAR(1)
 Sof(C12)=Sof(C11)=Sof(H11)=Sof(C10)=Sof(H10)=Sof(C9)=Sof(H9)=Sof(C8)=Sof(N3)=
 Sof(H3A)=FVAR(1)
 Sof(C59')=Sof(H59D)=Sof(H59E)=Sof(H59F)=1-FVAR(2)
 Sof(C59)=Sof(H59A)=Sof(H59B)=Sof(H59C)=FVAR(2)
 Sof(C61')=Sof(H61D)=Sof(H61E)=Sof(H61F)=1-FVAR(3)
 Sof(C61)=Sof(H61A)=Sof(H61B)=Sof(H61C)=FVAR(3)
5.a Riding coordinates:
 C59(H59A,H59B,H59C), C59'(H59D,H59E,H59F), C61(H61A,H61B,H61C), C61'(H61D,
 H61E,H61F)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C11(H11), C10(H10), C9(H9), N3(H3A),
 C11A(H11A), C10A(H10A), C9A(H9A), N3A(H3AA), C14(H14), C15(H15), C18(H18),
 C19(H19), C22(H22), C23(H23), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30),
  C33(H33), C34(H34), C36(H36), C37(H37), C41(H41), C42(H42), C44(H44),
 C45(H45), C47(H47), C48(H48), C49(H49), C52(H52), C53(H53), C55(H55), C56(H56)
5.c Fitted hexagon refined as free rotating group:
 C12(C11,C10,C9,C8,N3), C11A(C10A,C9A,C8A,N3A,C12A)
;
_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
Eu1 Eu 0.00967(2) 0.66765(2) 0.83903(2) 0.02857(11) Uani 1 1 d . . . . .
Eu2 Eu -0.14981(2) 0.81460(2) 0.75251(2) 0.02762(11) Uani 1 1 d . . . . .
Na1 Na 0.06914(17) 0.49015(15) 0.78992(9) 0.0385(7) Uani 1 1 d . . . . .
O1 O 0.1476(3) 0.6888(3) 0.88579(17) 0.0542(16) Uani 1 1 d . . . . .
O2 O 0.1467(3) 0.6016(3) 0.83308(16) 0.0437(14) Uani 1 1 d . . . . .
O3 O 0.7532(3) 0.7054(3) 1.18204(18) 0.0471(14) Uani 1 1 d . . . . .
O4 O 0.8612(3) 0.6264(3) 1.17996(17) 0.0443(14) Uani 1 1 d . . . . .
O5 O -0.0103(4) 0.5889(3) 0.90518(17) 0.0506(15) Uani 1 1 d . . . . .
O6 O -0.0107(3) 0.5200(3) 0.84460(17) 0.0409(13) Uani 1 1 d . . . . .
O7 O -0.1140(4) -0.1709(3) 0.82747(17) 0.0491(15) Uani 1 1 d . . . . .
O8 O -0.0323(3) -0.2284(3) 0.88455(17) 0.0468(14) Uani 1 1 d . . . . .
O9 O -0.1369(3) 0.6528(3) 0.81946(18) 0.0448(14) Uani 1 1 d . . . . .
O10 O -0.2392(3) 0.7134(3) 0.77424(19) 0.0491(15) Uani 1 1 d . . . . .
O11 O -0.1641(3) -0.0377(2) 0.75754(17) 0.0418(14) Uani 1 1 d . . . . .
O12 O -0.2744(3) -0.1094(3) 0.7661(2) 0.0547(16) Uani 1 1 d . . . . .
O13 O 0.0511(4) 0.7752(3) 0.79866(19) 0.0602(15) Uani 1 1 d . U . . .
O14 O -0.0076(3) 0.8710(3) 0.75535(18) 0.0481(13) Uani 1 1 d . U . . .
O15 O 0.0026(3) 0.6136(3) 0.76488(16) 0.0410(12) Uani 1 1 d . U . . .
O16 O -0.0831(3) 0.7048(3) 0.72799(18) 0.0494(13) Uani 1 1 d . U . . .
N1 N -0.3825(3) 0.3102(3) 0.7932(2) 0.0395(16) Uani 1 1 d . . . . .
N2 N -0.1013(4) 0.1748(3) 0.9524(2) 0.0492(18) Uani 1 1 d . . . . .
C1 C 0.1843(5) 0.6369(4) 0.8665(2) 0.0364(19) Uani 1 1 d . . . . .
C2 C 0.2774(5) 0.6152(5) 0.8824(3) 0.044(2) Uani 1 1 d . . . . .
C3 C 0.3191(5) 0.5636(6) 0.8592(3) 0.065(3) Uani 1 1 d . . . . .
H3 H 0.2917 0.5439 0.8322 0.078 Uiso 1 1 calc R . . . .
C4 C 0.4021(5) 0.5394(6) 0.8751(3) 0.073(3) Uani 1 1 d . . . . .
H4 H 0.4295 0.5042 0.8584 0.088 Uiso 1 1 calc R . . . .
C5 C 0.4433(4) 0.5663(5) 0.9141(3) 0.057(3) Uani 1 1 d D . . . .
C6 C 0.4015(6) 0.6176(6) 0.9383(3) 0.081(3) Uani 1 1 d . . . . .
H6 H 0.4291 0.6361 0.9655 0.097 Uiso 1 1 calc R . . . .
C7 C 0.3185(5) 0.6424(5) 0.9229(3) 0.066(3) Uani 1 1 d . . . . .
H7 H 0.2908 0.6771 0.9397 0.079 Uiso 1 1 calc R . . . .
C12 C 0.6532(9) 0.5388(9) 0.9876(4) 0.064(4) Uani 0.444(18) 1 d D U P A 1
C11 C 0.6882(7) 0.4740(9) 0.9686(4) 0.065(4) Uani 0.444(18) 1 d G U P A 1
H11 H 0.7411 0.4541 0.9814 0.078 Uiso 0.444(18) 1 calc R . P A 1
C10 C 0.6441(9) 0.4391(9) 0.9305(5) 0.065(4) Uani 0.444(18) 1 d G U P A 1
H10 H 0.6675 0.3957 0.9178 0.078 Uiso 0.444(18) 1 calc R . P A 1
C9 C 0.5650(8) 0.4689(8) 0.9114(4) 0.065(4) Uani 0.444(18) 1 d G U P A 1
H9 H 0.5355 0.4455 0.8860 0.078 Uiso 0.444(18) 1 calc R . P A 1
C8 C 0.5300(7) 0.5336(9) 0.9304(4) 0.065(4) Uani 0.444(18) 1 d DG U P A 1
N3 N 0.5741(9) 0.5686(9) 0.9685(4) 0.064(4) Uani 0.444(18) 1 d G U P A 1
H3A H 0.5525 0.6087 0.9802 0.077 Uiso 0.444(18) 1 calc DR . P A 1
C11A C 0.7033(5) 0.5084(9) 0.9609(3) 0.068(3) Uani 0.556(18) 1 d . U P A 2
H11A H 0.7600 0.4964 0.9720 0.081 Uiso 0.556(18) 1 calc R . P A 2
C10A C 0.6698(6) 0.4891(11) 0.9174(3) 0.068(3) Uani 0.556(18) 1 d G U P A 2
H10A H 0.7041 0.4642 0.8993 0.082 Uiso 0.556(18) 1 calc R . P A 2
C9A C 0.5850(6) 0.5070(10) 0.9009(3) 0.068(3) Uani 0.556(18) 1 d G U P A 2
H9A H 0.5626 0.4940 0.8717 0.082 Uiso 0.556(18) 1 calc R . P A 2
C8A C 0.5338(5) 0.5441(9) 0.9279(3) 0.067(3) Uani 0.556(18) 1 d DG U P A 2
N3A N 0.5673(6) 0.5634(10) 0.9715(3) 0.067(3) Uani 0.556(18) 1 d G U P A 2
H3AA H 0.5355 0.5864 0.9883 0.080 Uiso 0.556(18) 1 calc R . P A 2
C12A C 0.6520(6) 0.5456(9) 0.9880(3) 0.067(3) Uani 0.556(18) 1 d DG U P A 2
C13 C 0.6877(5) 0.5761(5) 1.0315(2) 0.053(2) Uani 1 1 d D . . . .
C14 C 0.6437(5) 0.6297(6) 1.0534(3) 0.072(3) Uani 1 1 d . . . . .
H14 H 0.5902 0.6473 1.0401 0.087 Uiso 1 1 calc DR . . . .
C15 C 0.6775(5) 0.6573(5) 1.0944(3) 0.067(3) Uani 1 1 d . . . . .
H15 H 0.6467 0.6939 1.1085 0.081 Uiso 1 1 calc R . . . .
C16 C 0.7571(4) 0.6319(4) 1.1155(3) 0.039(2) Uani 1 1 d . . . . .
C17 C 0.7929(5) 0.6572(4) 1.1614(2) 0.0354(18) Uani 1 1 d . . . . .
C18 C 0.8019(5) 0.5782(5) 1.0926(3) 0.051(2) Uani 1 1 d . . . . .
H18 H 0.8556 0.5605 1.1057 0.061 Uiso 1 1 calc R . . . .
C19 C 0.7674(5) 0.5508(5) 1.0505(2) 0.049(2) Uani 1 1 d . . . . .
H19 H 0.7981 0.5157 1.0354 0.059 Uiso 1 1 calc R . . . .
C20 C -0.0199(4) 0.5275(4) 0.8841(2) 0.0306(17) Uani 1 1 d . . . . .
C21 C -0.0428(4) 0.4534(4) 0.9078(2) 0.0318(18) Uani 1 1 d . . . . .
C22 C -0.0596(5) 0.4563(4) 0.9506(3) 0.047(2) Uani 1 1 d . . . . .
H22 H -0.0576 0.5049 0.9651 0.057 Uiso 1 1 calc R . . . .
C23 C -0.0794(6) 0.3895(4) 0.9726(3) 0.051(2) Uani 1 1 d . . . . .
H23 H -0.0896 0.3936 1.0019 0.061 Uiso 1 1 calc R . . . .
C24 C -0.0846(5) 0.3154(4) 0.9519(2) 0.0367(18) Uani 1 1 d . . . . .
C25 C -0.0706(6) 0.3129(4) 0.9087(2) 0.053(2) Uani 1 1 d . . . . .
H25 H -0.0762 0.2650 0.8935 0.064 Uiso 1 1 calc R . . . .
C26 C -0.0482(6) 0.3804(4) 0.8870(3) 0.056(2) Uani 1 1 d . . . . .
H26 H -0.0367 0.3764 0.8580 0.067 Uiso 1 1 calc R . . . .
C27 C -0.1037(5) 0.2418(4) 0.9755(3) 0.041(2) Uani 1 1 d . . . . .
C28 C -0.1237(6) 0.2428(4) 1.0185(3) 0.056(2) Uani 1 1 d . . . . .
H28 H -0.1243 0.2906 1.0336 0.067 Uiso 1 1 calc R . . . .
C29 C -0.1423(7) 0.1740(4) 1.0384(3) 0.069(3) Uani 1 1 d . . . . .
H29 H -0.1563 0.1740 1.0670 0.082 Uiso 1 1 calc R . . . .
C30 C -0.1396(6) 0.1045(4) 1.0148(3) 0.060(3) Uani 1 1 d . . . . .
H30 H -0.1522 0.0565 1.0274 0.071 Uiso 1 1 calc R . . . .
C31 C -0.1182(6) 0.1062(4) 0.9727(3) 0.051(2) Uani 1 1 d . . . . .
C32 C -0.1088(5) 0.0344(4) 0.9453(2) 0.042(2) Uani 1 1 d . . . . .
C33 C -0.1174(5) 0.0376(4) 0.8998(2) 0.047(2) Uani 1 1 d . . . . .
H33 H -0.1290 0.0858 0.8854 0.057 Uiso 1 1 calc R . . . .
C34 C -0.1093(5) -0.0286(4) 0.8756(3) 0.048(2) Uani 1 1 d . . . . .
H34 H -0.1178 -0.0249 0.8447 0.057 Uiso 1 1 calc R . . . .
C35 C -0.0884(5) -0.1023(4) 0.8955(2) 0.0321(18) Uani 1 1 d . . . . .
C36 C -0.0759(6) -0.1066(4) 0.9413(3) 0.049(2) Uani 1 1 d . . . . .
H36 H -0.0605 -0.1543 0.9556 0.059 Uiso 1 1 calc R . . . .
C37 C -0.0866(6) -0.0396(4) 0.9655(2) 0.051(2) Uani 1 1 d . . . . .
H37 H -0.0789 -0.0431 0.9963 0.062 Uiso 1 1 calc R . . . .
C38 C -0.0787(5) -0.1727(4) 0.8673(3) 0.041(2) Uani 1 1 d . . . . .
C39 C -0.2084(5) 0.6569(4) 0.7977(3) 0.0388(19) Uani 1 1 d . . . . .
C40 C -0.2669(4) 0.5854(4) 0.7991(2) 0.0309(18) Uani 1 1 d . . . . .
C41 C -0.3523(5) 0.5897(4) 0.7845(3) 0.052(2) Uani 1 1 d . . . . .
H41 H -0.3765 0.6382 0.7751 0.062 Uiso 1 1 calc R . . . .
C42 C -0.4042(5) 0.5236(4) 0.7833(3) 0.055(3) Uani 1 1 d . . . . .
H42 H -0.4627 0.5286 0.7740 0.065 Uiso 1 1 calc R . . . .
C43 C -0.3701(4) 0.4505(4) 0.7958(3) 0.041(2) Uani 1 1 d . . . . .
C44 C -0.2834(5) 0.4457(4) 0.8107(3) 0.045(2) Uani 1 1 d . . . . .
H44 H -0.2595 0.3972 0.8202 0.054 Uiso 1 1 calc R . . . .
C45 C -0.2307(4) 0.5123(4) 0.8117(3) 0.045(2) Uani 1 1 d . . . . .
H45 H -0.1720 0.5078 0.8207 0.054 Uiso 1 1 calc R . . . .
C46 C -0.4238(4) 0.3778(4) 0.7942(3) 0.0359(19) Uani 1 1 d . . . . .
C47 C -0.5108(5) 0.3804(4) 0.7951(3) 0.047(2) Uani 1 1 d . . . . .
H47 H -0.5386 0.4288 0.7957 0.056 Uiso 1 1 calc R . . . .
C48 C -0.5562(5) 0.3108(4) 0.7952(3) 0.053(2) Uani 1 1 d . . . . .
H48 H -0.6150 0.3115 0.7953 0.064 Uiso 1 1 calc R . . . .
C49 C -0.5134(5) 0.2410(4) 0.7950(3) 0.049(2) Uani 1 1 d . U . . .
H49 H -0.5425 0.1934 0.7963 0.059 Uiso 1 1 calc R . . . .
C50 C -0.4261(4) 0.2408(4) 0.7930(3) 0.042(2) Uani 1 1 d . . . . .
C51 C -0.3770(5) 0.1662(4) 0.7883(3) 0.047(2) Uani 1 1 d . . . . .
C52 C -0.4095(5) 0.0943(4) 0.7948(3) 0.052(2) Uani 1 1 d . . . . .
H52 H -0.4626 0.0900 0.8042 0.062 Uiso 1 1 calc R . . . .
C53 C -0.3640(5) 0.0264(4) 0.7876(3) 0.052(2) Uani 1 1 d . . . . .
H53 H -0.3873 -0.0229 0.7923 0.063 Uiso 1 1 calc R . . . .
C54 C -0.2862(4) 0.0304(4) 0.7739(2) 0.0354(18) Uani 1 1 d . . . . .
C55 C -0.2533(4) 0.1031(4) 0.7667(3) 0.048(2) Uani 1 1 d . . . . .
H55 H -0.2004 0.1070 0.7570 0.057 Uiso 1 1 calc R . . . .
C56 C -0.2988(5) 0.1724(4) 0.7739(3) 0.053(2) Uani 1 1 d . . . . .
H56 H -0.2763 0.2219 0.7689 0.064 Uiso 1 1 calc R . . . .
C57 C -0.2401(5) -0.0422(4) 0.7651(2) 0.0353(18) Uani 1 1 d . . . . .
C58 C 0.0543(5) 0.8313(5) 0.7740(3) 0.0538(16) Uani 1 1 d D U . . .
C59 C 0.1425(9) 0.8689(14) 0.7766(10) 0.077(4) Uani 0.47(2) 1 d D U P B 1
H59A H 0.1850 0.8338 0.7917 0.116 Uiso 0.47(2) 1 d R . P B 1
H59B H 0.1427 0.9175 0.7929 0.116 Uiso 0.47(2) 1 d R . P B 1
H59C H 0.1553 0.8797 0.7473 0.116 Uiso 0.47(2) 1 d R . P B 1
C59' C 0.1331(10) 0.8368(13) 0.7506(7) 0.076(4) Uani 0.53(2) 1 d D U P B 2
H59D H 0.1832 0.8277 0.7721 0.115 Uiso 0.53(2) 1 d R . P B 2
H59E H 0.1357 0.8889 0.7383 0.115 Uiso 0.53(2) 1 d R . P B 2
H59F H 0.1305 0.7981 0.7273 0.115 Uiso 0.53(2) 1 d R . P B 2
C60 C -0.0291(5) 0.6493(4) 0.7299(2) 0.0444(15) Uani 1 1 d D U . . .
C61 C 0.0127(13) 0.6425(15) 0.6881(5) 0.060(4) Uani 0.55(3) 1 d D U P C 1
H61A H -0.0273 0.6588 0.6628 0.090 Uiso 0.55(3) 1 d R . P C 1
H61B H 0.0291 0.5885 0.6844 0.090 Uiso 0.55(3) 1 d R . P C 1
H61C H 0.0625 0.6758 0.6909 0.090 Uiso 0.55(3) 1 d R . P C 1
C61' C -0.0158(19) 0.6048(17) 0.6880(5) 0.056(4) Uani 0.45(3) 1 d D U P C 2
H61D H -0.0675 0.6061 0.6669 0.085 Uiso 0.45(3) 1 d R . P C 2
H61E H -0.0006 0.5508 0.6953 0.085 Uiso 0.45(3) 1 d R . P C 2
H61F H 0.0295 0.6297 0.6753 0.085 Uiso 0.45(3) 1 d R . P C 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
Eu1 O1 2.441(5) . ?
Eu1 O2 2.467(5) . ?
Eu1 O5 2.473(5) . ?
Eu1 O6 2.523(4) . ?
Eu1 O8 2.392(5) 1_565 ?
Eu1 O9 2.315(5) . ?
Eu1 O13 2.341(6) . ?
Eu1 O15 2.422(5) . ?
Eu1 C38 3.214(7) 1_565 ?
Eu2 Na1 3.547(3) 2_556 ?
Eu2 O3 2.463(5) 4_475 ?
Eu2 O4 2.453(5) 4_475 ?
Eu2 O7 2.280(5) 1_565 ?
Eu2 O10 2.374(5) . ?
Eu2 O11 2.511(4) 1_565 ?
Eu2 O12 2.437(5) 1_565 ?
Eu2 O14 2.431(5) . ?
Eu2 O16 2.312(5) . ?
Eu2 C17 2.825(7) 4_475 ?
Eu2 C57 2.862(7) 1_565 ?
Na1 Eu2 3.547(3) 2_546 ?
Na1 O2 2.506(5) . ?
Na1 O4 2.371(5) 3_667 ?
Na1 O6 2.292(6) . ?
Na1 O11 2.285(6) 2_556 ?
Na1 O14 2.546(6) 2_546 ?
Na1 O15 2.406(5) . ?
O1 C1 1.245(8) . ?
O2 C1 1.250(7) . ?
O3 Eu2 2.463(5) 4_676 ?
O3 C17 1.254(8) . ?
O4 Eu2 2.453(5) 4_676 ?
O4 Na1 2.371(5) 3_667 ?
O4 C17 1.252(8) . ?
O5 C20 1.216(7) . ?
O6 C20 1.240(8) . ?
O7 Eu2 2.280(5) 1_545 ?
O7 C38 1.256(9) . ?
O8 Eu1 2.391(5) 1_545 ?
O8 C38 1.257(8) . ?
O9 C39 1.223(8) . ?
O10 C39 1.245(8) . ?
O11 Eu2 2.511(4) 1_545 ?
O11 Na1 2.285(6) 2_546 ?
O11 C57 1.259(8) . ?
O12 Eu2 2.438(5) 1_545 ?
O12 C57 1.260(8) . ?
O13 C58 1.216(9) . ?
O14 Na1 2.546(5) 2_556 ?
O14 C58 1.249(9) . ?
O15 C60 1.260(8) . ?
O16 C60 1.262(8) . ?
N1 C46 1.316(8) . ?
N1 C50 1.360(8) . ?
N2 C27 1.335(8) . ?
N2 C31 1.358(9) . ?
C1 C2 1.521(10) . ?
C2 C3 1.354(10) . ?
C2 C7 1.382(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.387(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.346(10) . ?
C5 C6 1.369(11) . ?
C5 C8 1.491(8) . ?
C5 C8A 1.477(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.389(11) . ?
C7 H7 0.9300 . ?
C12 C11 1.3900 . ?
C12 N3 1.3900 . ?
C12 C13 1.504(8) . ?
C11 H11 0.9300 . ?
C11 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C8 1.3900 . ?
C8 N3 1.3900 . ?
N3 H3A 0.8600 . ?
C11A H11A 0.9300 . ?
C11A C10A 1.3900 . ?
C11A C12A 1.3900 . ?
C10A H10A 0.9300 . ?
C10A C9A 1.3900 . ?
C9A H9A 0.9300 . ?
C9A C8A 1.3900 . ?
C8A N3A 1.3900 . ?
N3A H3AA 0.8600 . ?
N3A C12A 1.3900 . ?
C12A C13 1.454(7) . ?
C13 C14 1.373(10) . ?
C13 C19 1.371(10) . ?
C14 H14 0.9300 . ?
C14 C15 1.363(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.391(10) . ?
C16 C17 1.487(10) . ?
C16 C18 1.401(10) . ?
C17 Eu2 2.825(7) 4_676 ?
C18 H18 0.9300 . ?
C18 C19 1.393(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.517(10) . ?
C21 C22 1.368(10) . ?
C21 C26 1.382(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.374(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.397(9) . ?
C24 C25 1.369(10) . ?
C24 C27 1.488(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.390(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.392(10) . ?
C28 H28 0.9300 . ?
C28 C29 1.364(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.381(10) . ?
C30 H30 0.9300 . ?
C30 C31 1.375(11) . ?
C31 C32 1.492(9) . ?
C32 C33 1.371(10) . ?
C32 C37 1.414(10) . ?
C33 H33 0.9300 . ?
C33 C34 1.355(9) . ?
C34 H34 0.9300 . ?
C34 C35 1.403(9) . ?
C35 C36 1.378(10) . ?
C35 C38 1.487(9) . ?
C36 H36 0.9300 . ?
C36 C37 1.376(9) . ?
C37 H37 0.9300 . ?
C38 Eu1 3.214(7) 1_545 ?
C39 C40 1.524(9) . ?
C40 C41 1.357(9) . ?
C40 C45 1.390(9) . ?
C41 H41 0.9300 . ?
C41 C42 1.382(10) . ?
C42 H42 0.9300 . ?
C42 C43 1.377(9) . ?
C43 C44 1.379(9) . ?
C43 C46 1.489(9) . ?
C44 H44 0.9300 . ?
C44 C45 1.396(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.381(10) . ?
C47 H47 0.9300 . ?
C47 C48 1.377(9) . ?
C48 H48 0.9300 . ?
C48 C49 1.358(10) . ?
C49 H49 0.9300 . ?
C49 C50 1.390(10) . ?
C50 C51 1.497(9) . ?
C51 C52 1.346(9) . ?
C51 C56 1.376(10) . ?
C52 H52 0.9300 . ?
C52 C53 1.387(10) . ?
C53 H53 0.9300 . ?
C53 C54 1.359(10) . ?
C54 C55 1.364(9) . ?
C54 C57 1.472(9) . ?
C55 H55 0.9300 . ?
C55 C56 1.407(9) . ?
C56 H56 0.9300 . ?
C57 Eu2 2.862(7) 1_545 ?
C58 C59 1.522(9) . ?
C58 C59' 1.527(9) . ?
C59 H59A 0.9599 . ?
C59 H59B 0.9597 . ?
C59 H59C 0.9605 . ?
C59' H59D 0.9599 . ?
C59' H59E 0.9601 . ?
C59' H59F 0.9602 . ?
C60 C61 1.524(9) . ?
C60 C61' 1.522(9) . ?
C61 H61A 0.9603 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9599 . ?
C61' H61D 0.9600 . ?
C61' H61E 0.9600 . ?
C61' H61F 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
O1 Eu1 O2 52.66(15) . . ?
O1 Eu1 O5 79.45(19) . . ?
O1 Eu1 O6 102.53(17) . . ?
O1 Eu1 C38 96.12(19) . 1_565 ?
O2 Eu1 O5 92.22(18) . . ?
O2 Eu1 O6 71.35(17) . . ?
O2 Eu1 C38 145.21(18) . 1_565 ?
O5 Eu1 O6 51.73(16) . . ?
O5 Eu1 C38 96.78(18) . 1_565 ?
O6 Eu1 C38 138.25(17) . 1_565 ?
O8 Eu1 O1 81.75(17) 1_565 . ?
O8 Eu1 O2 134.31(17) 1_565 . ?
O8 Eu1 O5 80.88(17) 1_565 . ?
O8 Eu1 O6 129.54(17) 1_565 . ?
O8 Eu1 O15 147.05(16) 1_565 . ?
O8 Eu1 C38 19.76(18) 1_565 1_565 ?
O9 Eu1 O1 159.24(19) . . ?
O9 Eu1 O2 141.91(16) . . ?
O9 Eu1 O5 84.55(19) . . ?
O9 Eu1 O6 77.17(16) . . ?
O9 Eu1 O8 82.72(18) . 1_565 ?
O9 Eu1 O13 107.29(19) . . ?
O9 Eu1 O15 79.45(18) . . ?
O9 Eu1 C38 72.61(19) . 1_565 ?
O13 Eu1 O1 84.07(19) . . ?
O13 Eu1 O2 89.63(19) . . ?
O13 Eu1 O5 157.67(18) . . ?
O13 Eu1 O6 148.25(18) . . ?
O13 Eu1 O8 81.94(19) . 1_565 ?
O13 Eu1 O15 77.28(18) . . ?
O13 Eu1 C38 69.99(19) . 1_565 ?
O15 Eu1 O1 120.62(17) . . ?
O15 Eu1 O2 71.20(16) . . ?
O15 Eu1 O5 124.26(16) . . ?
O15 Eu1 O6 72.65(16) . . ?
O15 Eu1 C38 127.29(18) . 1_565 ?
O3 Eu2 Na1 90.46(12) 4_475 2_556 ?
O3 Eu2 O11 98.02(17) 4_475 1_565 ?
O3 Eu2 C17 26.31(17) 4_475 4_475 ?
O3 Eu2 C57 88.59(19) 4_475 1_565 ?
O4 Eu2 Na1 41.77(11) 4_475 2_556 ?
O4 Eu2 O3 52.50(16) 4_475 4_475 ?
O4 Eu2 O11 70.79(17) 4_475 1_565 ?
O4 Eu2 C17 26.26(17) 4_475 4_475 ?
O4 Eu2 C57 83.2(2) 4_475 1_565 ?
O7 Eu2 Na1 103.08(13) 1_565 2_556 ?
O7 Eu2 O3 156.0(2) 1_565 4_475 ?
O7 Eu2 O4 144.78(17) 1_565 4_475 ?
O7 Eu2 O10 82.32(19) 1_565 . ?
O7 Eu2 O11 80.97(16) 1_565 1_565 ?
O7 Eu2 O12 81.8(2) 1_565 1_565 ?
O7 Eu2 O14 80.47(19) 1_565 . ?
O7 Eu2 O16 110.70(18) 1_565 . ?
O7 Eu2 C17 163.52(18) 1_565 4_475 ?
O7 Eu2 C57 80.13(19) 1_565 1_565 ?
O10 Eu2 Na1 164.79(13) . 2_556 ?
O10 Eu2 O3 79.99(18) . 4_475 ?
O10 Eu2 O4 132.04(17) . 4_475 ?
O10 Eu2 O11 129.42(17) . 1_565 ?
O10 Eu2 O12 78.55(17) . 1_565 ?
O10 Eu2 O14 149.13(17) . . ?
O10 Eu2 C17 106.2(2) . 4_475 ?
O10 Eu2 C57 103.9(2) . 1_565 ?
O11 Eu2 Na1 39.90(13) 1_565 2_556 ?
O11 Eu2 C17 82.77(18) 1_565 4_475 ?
O11 Eu2 C57 26.05(17) 1_565 1_565 ?
O12 Eu2 Na1 88.06(13) 1_565 2_556 ?
O12 Eu2 O3 78.93(19) 1_565 4_475 ?
O12 Eu2 O4 96.22(19) 1_565 4_475 ?
O12 Eu2 O11 52.00(16) 1_565 1_565 ?
O12 Eu2 C17 86.1(2) 1_565 4_475 ?
O12 Eu2 C57 25.95(17) 1_565 1_565 ?
O14 Eu2 Na1 45.87(12) . 2_556 ?
O14 Eu2 O3 122.30(18) . 4_475 ?
O14 Eu2 O4 71.41(16) . 4_475 ?
O14 Eu2 O11 72.53(17) . 1_565 ?
O14 Eu2 O12 123.65(17) . 1_565 ?
O14 Eu2 C17 97.2(2) . 4_475 ?
O14 Eu2 C57 98.1(2) . 1_565 ?
O16 Eu2 Na1 110.22(14) . 2_556 ?
O16 Eu2 O3 82.10(18) . 4_475 ?
O16 Eu2 O4 86.36(18) . 4_475 ?
O16 Eu2 O10 80.37(19) . . ?
O16 Eu2 O11 149.97(18) . 1_565 ?
O16 Eu2 O12 153.72(18) . 1_565 ?
O16 Eu2 O14 82.02(18) . . ?
O16 Eu2 C17 84.93(19) . 4_475 ?
O16 Eu2 C57 168.9(2) . 1_565 ?
C17 Eu2 Na1 65.21(16) 4_475 2_556 ?
C17 Eu2 C57 84.1(2) 4_475 1_565 ?
C57 Eu2 Na1 63.70(17) 1_565 2_556 ?
O2 Na1 Eu2 130.12(14) . 2_546 ?
O2 Na1 O14 173.3(2) . 2_546 ?
O4 Na1 Eu2 43.57(13) 3_667 2_546 ?
O4 Na1 O2 105.04(18) 3_667 . ?
O4 Na1 O14 70.75(17) 3_667 2_546 ?
O4 Na1 O15 175.4(2) 3_667 . ?
O6 Na1 Eu2 135.73(15) . 2_546 ?
O6 Na1 O2 74.53(19) . . ?
O6 Na1 O4 100.1(2) . 3_667 ?
O6 Na1 O14 111.1(2) . 2_546 ?
O6 Na1 O15 77.15(18) . . ?
O11 Na1 Eu2 44.82(11) 2_556 2_546 ?
O11 Na1 O2 99.80(19) 2_556 . ?
O11 Na1 O4 76.26(19) 2_556 3_667 ?
O11 Na1 O6 172.4(2) 2_556 . ?
O11 Na1 O14 74.26(18) 2_556 2_546 ?
O11 Na1 O15 106.0(2) 2_556 . ?
O14 Na1 Eu2 43.25(12) 2_546 2_546 ?
O15 Na1 Eu2 140.58(16) . 2_546 ?
O15 Na1 O2 70.79(17) . . ?
O15 Na1 O14 113.59(19) . 2_546 ?
C1 O1 Eu1 93.5(4) . . ?
Eu1 O2 Na1 90.77(16) . . ?
C1 O2 Eu1 92.2(4) . . ?
C1 O2 Na1 156.9(5) . . ?
C17 O3 Eu2 93.2(4) . 4_676 ?
Na1 O4 Eu2 94.65(18) 3_667 4_676 ?
C17 O4 Eu2 93.7(4) . 4_676 ?
C17 O4 Na1 146.8(5) . 3_667 ?
C20 O5 Eu1 92.9(5) . . ?
Na1 O6 Eu1 94.51(19) . . ?
C20 O6 Eu1 89.9(4) . . ?
C20 O6 Na1 152.4(5) . . ?
C38 O7 Eu2 166.1(5) . 1_545 ?
C38 O8 Eu1 120.2(5) . 1_545 ?
C39 O9 Eu1 160.0(6) . . ?
C39 O10 Eu2 121.0(5) . . ?
Na1 O11 Eu2 95.28(18) 2_546 1_545 ?
C57 O11 Eu2 92.8(4) . 1_545 ?
C57 O11 Na1 149.8(5) . 2_546 ?
C57 O12 Eu2 96.2(4) . 1_545 ?
C58 O13 Eu1 166.1(6) . . ?
Eu2 O14 Na1 90.88(17) . 2_556 ?
C58 O14 Eu2 117.5(5) . . ?
C58 O14 Na1 151.4(5) . 2_556 ?
Na1 O15 Eu1 94.31(18) . . ?
C60 O15 Eu1 124.3(4) . . ?
C60 O15 Na1 141.4(5) . . ?
C60 O16 Eu2 156.7(5) . . ?
C46 N1 C50 119.6(6) . . ?
C27 N2 C31 117.4(7) . . ?
O1 C1 O2 121.4(7) . . ?
O1 C1 C2 121.2(6) . . ?
O2 C1 C2 117.4(7) . . ?
C3 C2 C1 121.0(7) . . ?
C3 C2 C7 118.5(7) . . ?
C7 C2 C1 120.2(7) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(8) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(8) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 118.7(7) . . ?
C4 C5 C8 117.8(8) . . ?
C4 C5 C8A 118.9(8) . . ?
C6 C5 C8 123.3(7) . . ?
C6 C5 C8A 122.2(7) . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.1(7) . . ?
C7 C6 H6 119.4 . . ?
C2 C7 C6 119.6(8) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C11 C12 N3 120.0 . . ?
C11 C12 C13 125.9(8) . . ?
N3 C12 C13 113.7(9) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C8 C5 123.8(8) . . ?
C9 C8 N3 120.0 . . ?
N3 C8 C5 116.1(8) . . ?
C12 N3 H3A 120.0 . . ?
C8 N3 C12 120.0 . . ?
C8 N3 H3A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C10A C11A C12A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C11A C10A C9A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C10A C9A C8A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C9A C8A C5 124.9(7) . . ?
N3A C8A C5 115.1(7) . . ?
N3A C8A C9A 120.0 . . ?
C8A N3A H3AA 120.0 . . ?
C8A N3A C12A 120.0 . . ?
C12A N3A H3AA 120.0 . . ?
C11A C12A C13 121.4(7) . . ?
N3A C12A C11A 120.0 . . ?
N3A C12A C13 118.1(7) . . ?
C14 C13 C12 124.5(9) . . ?
C14 C13 C12A 121.4(7) . . ?
C19 C13 C12 115.4(8) . . ?
C19 C13 C12A 118.5(7) . . ?
C19 C13 C14 120.1(6) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.9(7) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.2(8) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 C17 122.2(7) . . ?
C15 C16 C18 117.4(7) . . ?
C18 C16 C17 120.3(6) . . ?
O3 C17 Eu2 60.5(4) . 4_676 ?
O3 C17 C16 120.6(6) . . ?
O4 C17 Eu2 60.0(4) . 4_676 ?
O4 C17 O3 120.3(7) . . ?
O4 C17 C16 119.0(7) . . ?
C16 C17 Eu2 171.8(5) . 4_676 ?
C16 C18 H18 119.5 . . ?
C19 C18 C16 121.1(7) . . ?
C19 C18 H18 119.5 . . ?
C13 C19 C18 119.3(7) . . ?
C13 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
O5 C20 O6 125.1(7) . . ?
O5 C20 C21 118.2(7) . . ?
O6 C20 C21 116.7(6) . . ?
C22 C21 C20 121.2(6) . . ?
C22 C21 C26 117.5(7) . . ?
C26 C21 C20 121.3(7) . . ?
C21 C22 H22 119.1 . . ?
C21 C22 C23 121.8(7) . . ?
C23 C22 H22 119.1 . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.1(8) . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C27 122.2(7) . . ?
C25 C24 C23 117.0(7) . . ?
C25 C24 C27 120.8(6) . . ?
C24 C25 H25 119.3 . . ?
C24 C25 C26 121.5(7) . . ?
C26 C25 H25 119.3 . . ?
C21 C26 C25 121.0(7) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
N2 C27 C24 115.5(7) . . ?
N2 C27 C28 122.2(7) . . ?
C28 C27 C24 122.3(6) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.3(7) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 121.1 . . ?
C28 C29 C30 117.8(8) . . ?
C30 C29 H29 121.1 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.9(7) . . ?
C31 C30 H30 120.1 . . ?
N2 C31 C30 122.4(7) . . ?
N2 C31 C32 113.3(7) . . ?
C30 C31 C32 124.3(7) . . ?
C33 C32 C31 122.1(7) . . ?
C33 C32 C37 117.0(7) . . ?
C37 C32 C31 120.9(7) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 121.0(7) . . ?
C34 C33 H33 119.5 . . ?
C33 C34 H34 119.0 . . ?
C33 C34 C35 122.0(7) . . ?
C35 C34 H34 119.0 . . ?
C34 C35 C38 119.8(7) . . ?
C36 C35 C34 118.2(6) . . ?
C36 C35 C38 122.0(6) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 C35 119.2(7) . . ?
C37 C36 H36 120.4 . . ?
C32 C37 H37 118.8 . . ?
C36 C37 C32 122.4(7) . . ?
C36 C37 H37 118.8 . . ?
O7 C38 Eu1 84.7(4) . 1_545 ?
O7 C38 O8 124.4(7) . . ?
O7 C38 C35 117.9(7) . . ?
O8 C38 Eu1 40.0(3) . 1_545 ?
O8 C38 C35 117.5(7) . . ?
C35 C38 Eu1 155.8(6) . 1_545 ?
O9 C39 O10 127.0(7) . . ?
O9 C39 C40 117.0(7) . . ?
O10 C39 C40 115.9(7) . . ?
C41 C40 C39 121.7(6) . . ?
C41 C40 C45 119.0(6) . . ?
C45 C40 C39 119.0(6) . . ?
C40 C41 H41 119.3 . . ?
C40 C41 C42 121.4(7) . . ?
C42 C41 H41 119.3 . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.8(7) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 C44 118.0(7) . . ?
C42 C43 C46 122.3(6) . . ?
C44 C43 C46 119.7(6) . . ?
C43 C44 H44 119.3 . . ?
C43 C44 C45 121.3(7) . . ?
C45 C44 H44 119.3 . . ?
C40 C45 C44 119.3(6) . . ?
C40 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
N1 C46 C43 115.7(6) . . ?
N1 C46 C47 121.8(6) . . ?
C47 C46 C43 122.4(6) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 C46 119.5(7) . . ?
C48 C47 H47 120.2 . . ?
C47 C48 H48 120.6 . . ?
C49 C48 C47 118.7(7) . . ?
C49 C48 H48 120.6 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0(7) . . ?
C50 C49 H49 120.0 . . ?
N1 C50 C49 120.2(6) . . ?
N1 C50 C51 117.1(6) . . ?
C49 C50 C51 122.6(7) . . ?
C52 C51 C50 122.0(7) . . ?
C52 C51 C56 119.7(7) . . ?
C56 C51 C50 118.1(6) . . ?
C51 C52 H52 119.9 . . ?
C51 C52 C53 120.3(8) . . ?
C53 C52 H52 119.9 . . ?
C52 C53 H53 119.2 . . ?
C54 C53 C52 121.5(7) . . ?
C54 C53 H53 119.2 . . ?
C53 C54 C55 118.5(7) . . ?
C53 C54 C57 120.7(7) . . ?
C55 C54 C57 120.6(7) . . ?
C54 C55 H55 119.8 . . ?
C54 C55 C56 120.5(7) . . ?
C56 C55 H55 119.8 . . ?
C51 C56 C55 119.4(7) . . ?
C51 C56 H56 120.3 . . ?
C55 C56 H56 120.3 . . ?
O11 C57 Eu2 61.2(4) . 1_545 ?
O11 C57 O12 119.0(7) . . ?
O11 C57 C54 119.7(7) . . ?
O12 C57 Eu2 57.8(4) . 1_545 ?
O12 C57 C54 121.3(7) . . ?
C54 C57 Eu2 177.1(5) . 1_545 ?
O13 C58 O14 126.6(8) . . ?
O13 C58 C59 114.7(11) . . ?
O13 C58 C59' 116.7(10) . . ?
O14 C58 C59 116.6(11) . . ?
O14 C58 C59' 113.2(10) . . ?
C58 C59 H59A 109.6 . . ?
C58 C59 H59B 108.3 . . ?
C58 C59 H59C 110.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C59' H59D 108.6 . . ?
C58 C59' H59E 109.0 . . ?
C58 C59' H59F 110.9 . . ?
H59D C59' H59E 109.5 . . ?
H59D C59' H59F 109.5 . . ?
H59E C59' H59F 109.5 . . ?
O15 C60 O16 125.0(7) . . ?
O15 C60 C61 120.1(9) . . ?
O15 C60 C61' 112.6(11) . . ?
O16 C60 C61 113.2(10) . . ?
O16 C60 C61' 120.4(11) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.4 . . ?
C60 C61 H61C 109.6 . . ?
H61A C61 H61B 109.4 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C61' H61D 109.6 . . ?
C60 C61' H61E 109.6 . . ?
C60 C61' H61F 109.1 . . ?
H61D C61' H61E 109.5 . . ?
H61D C61' H61F 109.5 . . ?
H61E C61' H61F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 O2 5.0(8) . . . . ?
Eu1 O1 C1 C2 -176.2(6) . . . . ?
Eu1 O2 C1 O1 -4.9(8) . . . . ?
Eu1 O2 C1 C2 176.2(6) . . . . ?
Eu1 O5 C20 O6 6.4(8) . . . . ?
Eu1 O5 C20 C21 -175.3(5) . . . . ?
Eu1 O6 C20 O5 -6.3(7) . . . . ?
Eu1 O6 C20 C21 175.4(5) . . . . ?
Eu1 O8 C38 O7 8.3(10) 1_545 . . . ?
Eu1 O8 C38 C35 -168.1(5) 1_545 . . . ?
Eu1 O9 C39 O10 -38.7(19) . . . . ?
Eu1 O9 C39 C40 141.3(12) . . . . ?
Eu1 O13 C58 O14 15(3) . . . . ?
Eu1 O13 C58 C59 178(2) . . . . ?
Eu1 O13 C58 C59' -142(2) . . . . ?
Eu1 O15 C60 O16 -22.5(11) . . . . ?
Eu1 O15 C60 C61 141.5(13) . . . . ?
Eu1 O15 C60 C61' 173.6(15) . . . . ?
Eu2 O3 C17 O4 -5.5(7) 4_676 . . . ?
Eu2 O3 C17 C16 170.6(6) 4_676 . . . ?
Eu2 O4 C17 O3 5.6(7) 4_676 . . . ?
Eu2 O4 C17 C16 -170.7(6) 4_676 . . . ?
Eu2 O7 C38 Eu1 -24(2) 1_545 . . 1_545 ?
Eu2 O7 C38 O8 -30(3) 1_545 . . . ?
Eu2 O7 C38 C35 146.6(17) 1_545 . . . ?
Eu2 O10 C39 O9 16.0(11) . . . . ?
Eu2 O10 C39 C40 -164.1(5) . . . . ?
Eu2 O11 C57 O12 -1.2(7) 1_545 . . . ?
Eu2 O11 C57 C54 176.8(6) 1_545 . . . ?
Eu2 O12 C57 O11 1.2(8) 1_545 . . . ?
Eu2 O12 C57 C54 -176.7(6) 1_545 . . . ?
Eu2 O14 C58 O13 -16.0(12) . . . . ?
Eu2 O14 C58 C59 -178.3(15) . . . . ?
Eu2 O14 C58 C59' 141.7(12) . . . . ?
Eu2 O16 C60 O15 32.4(19) . . . . ?
Eu2 O16 C60 C61 -132.6(16) . . . . ?
Eu2 O16 C60 C61' -164.9(18) . . . . ?
Na1 O2 C1 O1 -102.0(12) . . . . ?
Na1 O2 C1 C2 79.2(14) . . . . ?
Na1 O4 C17 Eu2 104.3(9) 3_667 . . 4_676 ?
Na1 O4 C17 O3 109.9(9) 3_667 . . . ?
Na1 O4 C17 C16 -66.3(12) 3_667 . . . ?
Na1 O6 C20 O5 93.3(12) . . . . ?
Na1 O6 C20 C21 -85.0(11) . . . . ?
Na1 O11 C57 Eu2 105.4(9) 2_546 . . 1_545 ?
Na1 O11 C57 O12 104.2(10) 2_546 . . . ?
Na1 O11 C57 C54 -77.7(12) 2_546 . . . ?
Na1 O14 C58 O13 170.7(7) 2_556 . . . ?
Na1 O14 C58 C59 8(2) 2_556 . . . ?
Na1 O14 C58 C59' -31.6(19) 2_556 . . . ?
Na1 O15 C60 O16 156.6(6) . . . . ?
Na1 O15 C60 C61 -39.4(17) . . . . ?
Na1 O15 C60 C61' -7.3(19) . . . . ?
O1 C1 C2 C3 -174.5(8) . . . . ?
O1 C1 C2 C7 11.5(13) . . . . ?
O2 C1 C2 C3 4.3(12) . . . . ?
O2 C1 C2 C7 -169.7(8) . . . . ?
O5 C20 C21 C22 5.7(10) . . . . ?
O5 C20 C21 C26 -174.9(7) . . . . ?
O6 C20 C21 C22 -175.9(7) . . . . ?
O6 C20 C21 C26 3.5(10) . . . . ?
O9 C39 C40 C41 165.4(8) . . . . ?
O9 C39 C40 C45 -20.9(11) . . . . ?
O10 C39 C40 C41 -14.6(11) . . . . ?
O10 C39 C40 C45 159.2(7) . . . . ?
N1 C46 C47 C48 0.3(13) . . . . ?
N1 C50 C51 C52 169.1(8) . . . . ?
N1 C50 C51 C56 -15.2(12) . . . . ?
N2 C27 C28 C29 -0.5(14) . . . . ?
N2 C31 C32 C33 -25.0(12) . . . . ?
N2 C31 C32 C37 152.1(8) . . . . ?
C1 C2 C3 C4 -175.5(9) . . . . ?
C1 C2 C7 C6 175.5(9) . . . . ?
C2 C3 C4 C5 0.5(17) . . . . ?
C3 C2 C7 C6 1.3(15) . . . . ?
C3 C4 C5 C6 0.6(16) . . . . ?
C3 C4 C5 C8 176.0(11) . . . . ?
C3 C4 C5 C8A -175.1(11) . . . . ?
C4 C5 C6 C7 -0.7(17) . . . . ?
C4 C5 C8 C9 -10.4(17) . . . . ?
C4 C5 C8 N3 173.6(9) . . . . ?
C4 C5 C8A C9A 10.3(17) . . . . ?
C4 C5 C8A N3A -170.0(9) . . . . ?
C5 C6 C7 C2 -0.3(17) . . . . ?
C5 C8 N3 C12 176.1(13) . . . . ?
C5 C8A N3A C12A -179.7(12) . . . . ?
C6 C5 C8 C9 164.7(11) . . . . ?
C6 C5 C8 N3 -11.2(16) . . . . ?
C6 C5 C8A C9A -165.3(11) . . . . ?
C6 C5 C8A N3A 14.4(15) . . . . ?
C7 C2 C3 C4 -1.4(15) . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C12 C13 C14 C15 176.1(12) . . . . ?
C12 C13 C19 C18 -175.7(10) . . . . ?
C11 C12 N3 C8 0.0 . . . . ?
C11 C12 C13 C14 -166.9(12) . . . . ?
C11 C12 C13 C19 10.6(17) . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C10 C9 C8 C5 -175.8(14) . . . . ?
C10 C9 C8 N3 0.0 . . . . ?
C9 C8 N3 C12 0.0 . . . . ?
C8 C5 C6 C7 -175.8(12) . . . . ?
N3 C12 C11 C10 0.0 . . . . ?
N3 C12 C13 C14 5.3(15) . . . . ?
N3 C12 C13 C19 -177.2(8) . . . . ?
C11A C10A C9A C8A 0.0 . . . . ?
C11A C12A C13 C14 163.1(10) . . . . ?
C11A C12A C13 C19 -16.3(16) . . . . ?
C10A C11A C12A N3A 0.0 . . . . ?
C10A C11A C12A C13 -171.6(13) . . . . ?
C10A C9A C8A C5 179.7(14) . . . . ?
C10A C9A C8A N3A 0.0 . . . . ?
C9A C8A N3A C12A 0.0 . . . . ?
C8A C5 C6 C7 174.9(11) . . . . ?
C8A N3A C12A C11A 0.0 . . . . ?
C8A N3A C12A C13 171.9(13) . . . . ?
N3A C12A C13 C14 -8.7(14) . . . . ?
N3A C12A C13 C19 171.9(8) . . . . ?
C12A C11A C10A C9A 0.0 . . . . ?
C12A C13 C14 C15 179.4(11) . . . . ?
C12A C13 C19 C18 -178.7(10) . . . . ?
C13 C12 C11 C10 171.8(16) . . . . ?
C13 C12 N3 C8 -172.7(14) . . . . ?
C13 C14 C15 C16 -0.4(16) . . . . ?
C14 C13 C19 C18 1.9(14) . . . . ?
C14 C15 C16 C17 -176.0(9) . . . . ?
C14 C15 C16 C18 1.3(14) . . . . ?
C15 C16 C17 O3 -2.9(12) . . . . ?
C15 C16 C17 O4 173.4(8) . . . . ?
C15 C16 C18 C19 -0.7(13) . . . . ?
C16 C18 C19 C13 -0.9(13) . . . . ?
C17 C16 C18 C19 176.7(7) . . . . ?
C18 C16 C17 O3 179.9(7) . . . . ?
C18 C16 C17 O4 -3.9(11) . . . . ?
C19 C13 C14 C15 -1.3(16) . . . . ?
C20 C21 C22 C23 -179.2(7) . . . . ?
C20 C21 C26 C25 -178.9(7) . . . . ?
C21 C22 C23 C24 -1.0(13) . . . . ?
C22 C21 C26 C25 0.5(12) . . . . ?
C22 C23 C24 C25 -1.1(12) . . . . ?
C22 C23 C24 C27 178.4(7) . . . . ?
C23 C24 C25 C26 3.0(13) . . . . ?
C23 C24 C27 N2 -176.0(7) . . . . ?
C23 C24 C27 C28 4.7(12) . . . . ?
C24 C25 C26 C21 -2.7(14) . . . . ?
C24 C27 C28 C29 178.8(8) . . . . ?
C25 C24 C27 N2 3.5(11) . . . . ?
C25 C24 C27 C28 -175.8(8) . . . . ?
C26 C21 C22 C23 1.3(12) . . . . ?
C27 N2 C31 C30 1.9(13) . . . . ?
C27 N2 C31 C32 -176.5(7) . . . . ?
C27 C24 C25 C26 -176.5(8) . . . . ?
C27 C28 C29 C30 0.7(15) . . . . ?
C28 C29 C30 C31 0.4(15) . . . . ?
C29 C30 C31 N2 -1.7(15) . . . . ?
C29 C30 C31 C32 176.6(9) . . . . ?
C30 C31 C32 C33 156.5(9) . . . . ?
C30 C31 C32 C37 -26.4(14) . . . . ?
C31 N2 C27 C24 179.9(7) . . . . ?
C31 N2 C27 C28 -0.8(12) . . . . ?
C31 C32 C33 C34 -179.5(8) . . . . ?
C31 C32 C37 C36 -178.8(8) . . . . ?
C32 C33 C34 C35 -2.6(13) . . . . ?
C33 C32 C37 C36 -1.6(13) . . . . ?
C33 C34 C35 C36 0.0(12) . . . . ?
C33 C34 C35 C38 -178.9(8) . . . . ?
C34 C35 C36 C37 1.7(12) . . . . ?
C34 C35 C38 Eu1 136.5(10) . . . 1_545 ?
C34 C35 C38 O7 -21.4(11) . . . . ?
C34 C35 C38 O8 155.3(7) . . . . ?
C35 C36 C37 C32 -0.9(14) . . . . ?
C36 C35 C38 Eu1 -42.3(16) . . . 1_545 ?
C36 C35 C38 O7 159.8(8) . . . . ?
C36 C35 C38 O8 -23.5(11) . . . . ?
C37 C32 C33 C34 3.4(13) . . . . ?
C38 C35 C36 C37 -179.4(8) . . . . ?
C39 C40 C41 C42 175.9(8) . . . . ?
C39 C40 C45 C44 -176.4(7) . . . . ?
C40 C41 C42 C43 -1.9(15) . . . . ?
C41 C40 C45 C44 -2.5(12) . . . . ?
C41 C42 C43 C44 1.7(14) . . . . ?
C41 C42 C43 C46 -178.9(8) . . . . ?
C42 C43 C44 C45 -2.1(13) . . . . ?
C42 C43 C46 N1 159.3(8) . . . . ?
C42 C43 C46 C47 -22.7(13) . . . . ?
C43 C44 C45 C40 2.5(13) . . . . ?
C43 C46 C47 C48 -177.7(8) . . . . ?
C44 C43 C46 N1 -21.4(12) . . . . ?
C44 C43 C46 C47 156.7(8) . . . . ?
C45 C40 C41 C42 2.2(14) . . . . ?
C46 N1 C50 C49 -1.4(12) . . . . ?
C46 N1 C50 C51 175.4(7) . . . . ?
C46 C43 C44 C45 178.5(8) . . . . ?
C46 C47 C48 C49 1.1(14) . . . . ?
C47 C48 C49 C50 -2.6(14) . . . . ?
C48 C49 C50 N1 2.8(13) . . . . ?
C48 C49 C50 C51 -173.8(8) . . . . ?
C49 C50 C51 C52 -14.2(14) . . . . ?
C49 C50 C51 C56 161.5(9) . . . . ?
C50 N1 C46 C43 178.0(7) . . . . ?
C50 N1 C46 C47 -0.1(12) . . . . ?
C50 C51 C52 C53 176.3(8) . . . . ?
C50 C51 C56 C55 -176.6(8) . . . . ?
C51 C52 C53 C54 0.0(14) . . . . ?
C52 C51 C56 C55 -0.8(14) . . . . ?
C52 C53 C54 C55 -0.7(13) . . . . ?
C52 C53 C54 C57 -178.0(8) . . . . ?
C53 C54 C55 C56 0.7(12) . . . . ?
C53 C54 C57 O11 -171.6(7) . . . . ?
C53 C54 C57 O12 6.4(12) . . . . ?
C54 C55 C56 C51 0.1(13) . . . . ?
C55 C54 C57 O11 11.2(11) . . . . ?
C55 C54 C57 O12 -170.8(8) . . . . ?
C56 C51 C52 C53 0.7(14) . . . . ?
C57 C54 C55 C56 178.0(8) . . . . ?

_platon_squeeze_details          
;
 The unit cell contains 40 water molecules 
 which have been treated as a diffuse contribution to the overall 
scattering without secific atom positions by SQUEEZE/PLATON. 
;
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
1 0.500 0.500 0.500 1603.1 217.5
2 0.500 0.000 1.000 1603.1 217.1

_olex2_submission_special_instructions 'No special instructions were received'
