# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 1565344'
_audit_update_record             
;
2017-08-07 deposited with the CCDC.
2017-08-21 downloaded from the CCDC.
;
_audit_creation_date             2017-08-04
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C68 H38 Eu3 N8 O20, 2(H2 O), O'
_chemical_formula_sum            'C68 H44 Eu3 N8 O23'
_chemical_formula_weight         1795.01
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.944(3)
_cell_length_b                   17.123(5)
_cell_length_c                   18.936(5)
_cell_angle_alpha                74.463(10)
_cell_angle_beta                 84.520(11)
_cell_angle_gamma                85.333(12)
_cell_volume                     3397.5(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8886
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.824
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1088 before and 0.0526 after correction.
The Ratio of minimum to maximum transmission is 0.7213.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   'SADABS(Bruker 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1794
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15654
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.661
_diffrn_reflns_theta_min         2.256
_diffrn_ambient_temperature      295.16
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13093
_reflns_number_total             15654
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.382
_refine_diff_density_min         -1.536
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     923
_refine_ls_number_reflns         15654
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0344
_refine_ls_restrained_S_all      1.038
_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)+(0.0282P)²+9.0297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0769
_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 O(H,H) groups
2. Restrained distances
 O14-O21
 3.2 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O21) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Free rotating group:
 O19(H19A,H19B,O20,H20A,H20B)
4.b Aromatic/amide H refined with riding coordinates:
 N2(H2), N8(H8), C1(H1), C3(H3), C5(H5A), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C20(H20), C22(H22), C27(H27), C28(H28),
  C30(H30), C31(H31), C33(H33), C34(H34), C35(H35), C37(H37), C39(H39),
 C44(H44), C45(H45), C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C56(H56),
  C61(H61), C62(H62), C64(H64), C65(H65), C67(H67), C68(H68)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.82390(2) 0.53996(2) 0.00939(2) 0.01187(5) Uani 1 1 d . . . . .
Eu2 Eu 0.49141(2) 0.48287(2) 0.39774(2) 0.01399(5) Uani 1 1 d . . . . .
Eu3 Eu 0.65828(2) 0.32539(2) 0.54307(2) 0.01414(5) Uani 1 1 d . . . . .
O25 O 0.6311(3) 0.56566(19) -0.05011(18) 0.0318(7) Uani 1 1 d . . . . .
O14 O 0.4598(4) 0.3795(2) 0.3303(2) 0.0465(10) Uani 1 1 d D . . . .
O24 O 0.6986(3) 0.42030(19) 0.06774(18) 0.0369(8) Uani 1 1 d . . . . .
O1 O -0.1242(3) 0.3472(2) 0.5183(2) 0.0464(10) Uani 1 1 d . . . . .
O13 O 0.6172(2) 0.46623(15) 0.49761(14) 0.0157(5) Uani 1 1 d . . . . .
O2 O -0.1669(3) 0.23523(18) 0.60262(18) 0.0295(7) Uani 1 1 d . . . . .
O3 O 0.2982(3) 0.41883(18) 0.44445(19) 0.0327(7) Uani 1 1 d . . . . .
O4 O 0.4584(3) 0.34394(16) 0.49226(15) 0.0210(6) Uani 1 1 d . . . . .
O5 O 0.6816(3) 0.45768(19) 0.32347(18) 0.0368(8) Uani 1 1 d . . . . .
O6 O 0.6892(3) 0.3476(2) 0.41522(16) 0.0349(8) Uani 1 1 d . . . . .
O7 O 1.1186(3) 0.36300(16) 0.10561(15) 0.0233(6) Uani 1 1 d . . . . .
O8 O 0.9517(3) 0.44256(16) 0.08357(14) 0.0217(6) Uani 1 1 d . . . . .
O11 O 0.5343(3) 0.25870(17) 0.64580(15) 0.0276(7) Uani 1 1 d . . . . .
O12 O 0.4453(3) 0.38156(17) 0.64047(15) 0.0267(7) Uani 1 1 d . . . . .
O9 O 0.2579(3) 0.32489(15) 0.98124(14) 0.0191(6) Uani 1 1 d . . . . .
O10 O 0.2975(3) 0.42938(16) 0.88730(15) 0.0256(7) Uani 1 1 d . . . . .
O16 O 0.2971(3) 0.6111(2) 0.36327(16) 0.0361(8) Uani 1 1 d . . . . .
O15 O 0.3814(3) 0.54017(19) 0.28848(18) 0.0352(8) Uani 1 1 d . . . . .
O17 O 0.1534(3) 0.54190(17) 0.07346(15) 0.0236(6) Uani 1 1 d . . . . .
O18 O -0.0296(3) 0.61073(16) 0.05873(16) 0.0222(6) Uani 1 1 d . . . . .
N1 N 0.3124(6) -0.2263(3) 0.7795(3) 0.0724(18) Uani 1 1 d . . . . .
N2 N 0.3795(7) -0.2978(3) 0.8059(4) 0.079(2) Uani 1 1 d . . . . .
H2 H 0.350683 -0.343918 0.828364 0.095 Uiso 1 1 calc R . . . .
N3 N 1.2712(4) -0.1208(2) 0.4356(2) 0.0293(9) Uani 1 1 d . . . . .
N4 N 1.3421(4) -0.1811(2) 0.4779(2) 0.0298(9) Uani 1 1 d . . . . .
N5 N 0.4827(4) -0.2394(2) 0.9542(2) 0.0340(10) Uani 1 1 d . . . . .
H5 H 0.542(5) -0.228(3) 0.917(3) 0.042(15) Uiso 1 1 d . . . . .
N6 N 0.4654(4) -0.3176(2) 0.9920(2) 0.0338(9) Uani 1 1 d . . . . .
N7 N 0.0972(4) 1.1478(2) 0.0750(3) 0.0431(11) Uani 1 1 d . . . . .
N8 N 0.0433(5) 1.2230(2) 0.0487(2) 0.0441(11) Uani 1 1 d . . . . .
H8 H 0.084087 1.264827 0.027103 0.053 Uiso 1 1 calc R . . . .
C1 C 0.1297(4) 0.3142(3) 0.5273(3) 0.0280(10) Uani 1 1 d . . . . .
H1 H 0.101725 0.363965 0.497918 0.034 Uiso 1 1 calc R . . . .
C2 C 0.0466(4) 0.2601(3) 0.5686(2) 0.0262(9) Uani 1 1 d . . . . .
C3 C 0.0891(4) 0.1862(3) 0.6102(3) 0.0287(10) Uani 1 1 d . . . . .
H3 H 0.032692 0.150962 0.639075 0.034 Uiso 1 1 calc R . . . .
C4 C 0.2154(4) 0.1617(3) 0.6107(2) 0.0280(10) Uani 1 1 d . . . . .
C5 C 0.2989(4) 0.2185(3) 0.5698(2) 0.0261(9) Uani 1 1 d . . . . .
H5A H 0.382996 0.205336 0.569842 0.031 Uiso 1 1 calc R . . . .
C6 C 0.2554(4) 0.2940(3) 0.5297(2) 0.0251(9) Uani 1 1 d . . . . .
C7 C 0.3429(4) 0.3553(2) 0.4862(2) 0.0219(9) Uani 1 1 d . . . . .
C8 C -0.0903(4) 0.2823(3) 0.5627(2) 0.0271(10) Uani 1 1 d . . . . .
C9 C 0.2615(5) 0.0790(3) 0.6485(3) 0.0322(11) Uani 1 1 d . . . . .
C10 C 0.1802(6) 0.0171(3) 0.6757(4) 0.0630(19) Uani 1 1 d . . . . .
H10 H 0.096188 0.029258 0.672411 0.076 Uiso 1 1 calc R . . . .
C11 C 0.2218(6) -0.0613(4) 0.7073(4) 0.068(2) Uani 1 1 d . . . . .
H11 H 0.165104 -0.100967 0.724779 0.082 Uiso 1 1 calc R . . . .
C12 C 0.3452(5) -0.0828(3) 0.7137(3) 0.0357(11) Uani 1 1 d . . . . .
C13 C 0.4270(5) -0.0224(3) 0.6867(3) 0.0457(13) Uani 1 1 d . . . . .
H13 H 0.510915 -0.034879 0.690172 0.055 Uiso 1 1 calc R . . . .
C14 C 0.3851(5) 0.0570(3) 0.6545(3) 0.0395(12) Uani 1 1 d . . . . .
H14 H 0.442074 0.096436 0.636359 0.047 Uiso 1 1 calc R . . . .
C15 C 0.3898(6) -0.1661(3) 0.7464(3) 0.0425(13) Uani 1 1 d . . . . .
C16 C 0.5075(6) -0.2004(3) 0.7523(3) 0.0531(15) Uani 1 1 d . . . . .
H16 H 0.580151 -0.174587 0.734724 0.064 Uiso 1 1 calc R . . . .
C17 C 0.4958(7) -0.2823(3) 0.7903(3) 0.0538(16) Uani 1 1 d . . . . .
H17 H 0.561243 -0.320241 0.802699 0.065 Uiso 1 1 calc R . . . .
C18 C 0.8654(4) 0.3858(2) 0.2380(2) 0.0190(8) Uani 1 1 d . . . . .
H18 H 0.827036 0.434700 0.213538 0.023 Uiso 1 1 calc R . . . .
C19 C 0.9617(4) 0.3483(2) 0.2017(2) 0.0184(8) Uani 1 1 d . . . . .
C20 C 1.0173(4) 0.2750(2) 0.2392(2) 0.0228(9) Uani 1 1 d . . . . .
H20 H 1.081214 0.250805 0.214979 0.027 Uiso 1 1 calc R . . . .
C21 C 0.9805(4) 0.2363(2) 0.3120(2) 0.0231(9) Uani 1 1 d . . . . .
C22 C 0.8843(4) 0.2756(3) 0.3471(2) 0.0271(10) Uani 1 1 d . . . . .
H22 H 0.858044 0.251680 0.395767 0.033 Uiso 1 1 calc R . . . .
C23 C 0.8284(4) 0.3487(2) 0.3110(2) 0.0207(9) Uani 1 1 d . . . . .
C24 C 0.7259(4) 0.3880(3) 0.3521(2) 0.0237(9) Uani 1 1 d . . . . .
C25 C 1.0133(4) 0.3871(2) 0.1256(2) 0.0159(8) Uani 1 1 d . . . . .
C26 C 1.0489(5) 0.1604(2) 0.3500(2) 0.0277(10) Uani 1 1 d . . . . .
C27 C 1.0720(6) 0.1447(3) 0.4233(3) 0.0518(17) Uani 1 1 d . . . . .
H27 H 1.039596 0.180733 0.450209 0.062 Uiso 1 1 calc R . . . .
C28 C 1.1424(7) 0.0762(3) 0.4576(3) 0.0570(19) Uani 1 1 d . . . . .
H28 H 1.157008 0.067808 0.506720 0.068 Uiso 1 1 calc R . . . .
C29 C 1.1911(5) 0.0206(3) 0.4203(3) 0.0340(11) Uani 1 1 d . . . . .
C30 C 1.1661(5) 0.0349(3) 0.3472(3) 0.0372(12) Uani 1 1 d . . . . .
H30 H 1.196889 -0.002176 0.320931 0.045 Uiso 1 1 calc R . . . .
C31 C 1.0963(5) 0.1032(3) 0.3126(2) 0.0329(11) Uani 1 1 d . . . . .
H31 H 1.080765 0.111059 0.263716 0.039 Uiso 1 1 calc R . . . .
C32 C 1.2662(5) -0.0516(3) 0.4569(2) 0.0338(11) Uani 1 1 d . . . . .
C33 C 1.3409(7) -0.0666(3) 0.5148(3) 0.0577(18) Uani 1 1 d . . . . .
H33 H 1.358662 -0.030454 0.540773 0.069 Uiso 1 1 calc R . . . .
C34 C 1.3840(6) -0.1483(3) 0.5257(3) 0.0484(15) Uani 1 1 d . . . . .
H34 H 1.435513 -0.175597 0.561857 0.058 Uiso 1 1 calc R . . . .
C35 C 0.3745(4) 0.3290(2) 0.7946(2) 0.0212(9) Uani 1 1 d . . . . .
H35 H 0.367422 0.384708 0.773389 0.025 Uiso 1 1 calc R . . . .
C36 C 0.4203(4) 0.2763(2) 0.7525(2) 0.0203(9) Uani 1 1 d . . . . .
C37 C 0.4293(4) 0.1930(2) 0.7847(2) 0.0221(9) Uani 1 1 d . . . . .
H37 H 0.459908 0.158309 0.756089 0.026 Uiso 1 1 calc R . . . .
C38 C 0.3934(4) 0.1603(2) 0.8588(2) 0.0199(9) Uani 1 1 d . . . . .
C39 C 0.3478(4) 0.2148(2) 0.9004(2) 0.0192(8) Uani 1 1 d . . . . .
H39 H 0.323025 0.195015 0.949996 0.023 Uiso 1 1 calc R . . . .
C40 C 0.3397(4) 0.2975(2) 0.8683(2) 0.0181(8) Uani 1 1 d . . . . .
C41 C 0.2963(4) 0.3534(2) 0.9152(2) 0.0155(8) Uani 1 1 d . . . . .
C42 C 0.4685(4) 0.3079(2) 0.6742(2) 0.0211(9) Uani 1 1 d . . . . .
C43 C 0.4034(4) 0.0712(2) 0.8924(2) 0.0205(9) Uani 1 1 d . . . . .
C44 C 0.4792(5) 0.0194(2) 0.8602(2) 0.0324(11) Uani 1 1 d . . . . .
H44 H 0.527758 0.041182 0.817467 0.039 Uiso 1 1 calc R . . . .
C45 C 0.4848(5) -0.0636(3) 0.8898(3) 0.0335(12) Uani 1 1 d . . . . .
H45 H 0.536038 -0.096692 0.866456 0.040 Uiso 1 1 calc R . . . .
C46 C 0.4149(4) -0.0981(2) 0.9537(2) 0.0229(9) Uani 1 1 d . . . . .
C47 C 0.3407(5) -0.0463(3) 0.9875(2) 0.0308(11) Uani 1 1 d . . . . .
H47 H 0.294532 -0.067977 1.031279 0.037 Uiso 1 1 calc R . . . .
C48 C 0.3347(5) 0.0358(2) 0.9575(2) 0.0288(10) Uani 1 1 d . . . . .
H48 H 0.283672 0.068822 0.980938 0.035 Uiso 1 1 calc R . . . .
C49 C 0.4142(4) -0.1864(2) 0.9847(2) 0.0227(9) Uani 1 1 d . . . . .
C50 C 0.3493(5) -0.2324(3) 1.0449(3) 0.0369(12) Uani 1 1 d . . . . .
H50 H 0.293366 -0.213660 1.077690 0.044 Uiso 1 1 calc R . . . .
C51 C 0.3845(4) -0.3125(3) 1.0468(3) 0.0308(10) Uani 1 1 d . . . . .
H51 H 0.354604 -0.356970 1.082377 0.037 Uiso 1 1 calc R . . . .
C52 C 0.1813(4) 0.5953(2) 0.1968(2) 0.0178(8) Uani 1 1 d . . . . .
H52 H 0.213601 0.543024 0.198112 0.021 Uiso 1 1 calc R . . . .
C53 C 0.0997(4) 0.6340(2) 0.1448(2) 0.0169(8) Uani 1 1 d . . . . .
C54 C 0.0517(4) 0.7133(2) 0.1417(2) 0.0180(8) Uani 1 1 d . . . . .
C55 C 0.0926(4) 0.7547(2) 0.1886(2) 0.0216(9) Uani 1 1 d . . . . .
C56 C 0.1711(4) 0.7140(2) 0.2425(2) 0.0240(9) Uani 1 1 d . . . . .
H56 H 0.194484 0.740438 0.275618 0.029 Uiso 1 1 calc R . . . .
C57 C 0.2147(4) 0.6343(2) 0.2469(2) 0.0206(8) Uani 1 1 d . . . . .
C58 C 0.3024(4) 0.5928(2) 0.3030(2) 0.0239(9) Uani 1 1 d . . . . .
C59 C 0.0695(4) 0.5923(2) 0.0883(2) 0.0152(8) Uani 1 1 d . . . . .
C60 C 0.0631(4) 0.8437(2) 0.1759(2) 0.0239(9) Uani 1 1 d . . . . .
C61 C -0.0509(5) 0.8789(3) 0.1567(3) 0.0453(14) Uani 1 1 d . . . . .
H61 H -0.114359 0.845917 0.156664 0.054 Uiso 1 1 calc R . . . .
C62 C -0.0730(5) 0.9627(3) 0.1372(4) 0.0495(15) Uani 1 1 d . . . . .
H62 H -0.151577 0.985164 0.126628 0.059 Uiso 1 1 calc R . . . .
C63 C 0.0226(5) 1.0133(3) 0.1336(3) 0.0315(11) Uani 1 1 d . . . . .
C64 C 0.1345(5) 0.9779(3) 0.1564(3) 0.0337(11) Uani 1 1 d . . . . .
H64 H 0.197352 1.010837 0.157495 0.040 Uiso 1 1 calc R . . . .
C65 C 0.1556(5) 0.8943(3) 0.1779(3) 0.0323(11) Uani 1 1 d . . . . .
H65 H 0.231788 0.871854 0.193657 0.039 Uiso 1 1 calc R . . . .
C66 C 0.0016(5) 1.1020(3) 0.1034(3) 0.0333(11) Uani 1 1 d . . . . .
C67 C -0.1101(5) 1.1481(3) 0.0946(3) 0.0476(14) Uani 1 1 d . . . . .
H67 H -0.188838 1.130203 0.109202 0.057 Uiso 1 1 calc R . . . .
C68 C -0.0779(6) 1.2257(3) 0.0594(3) 0.0487(15) Uani 1 1 d . . . . .
H68 H -0.131220 1.271374 0.045836 0.058 Uiso 1 1 calc R . . . .
O19 O 0.2874(4) 0.2118(2) 0.13785(17) 0.0532(10) Uani 1 1 d . . . . .
H19A H 0.247553 0.182036 0.120009 0.080 Uiso 1 1 d G . . . .
H19B H 0.249609 0.258286 0.126252 0.080 Uiso 1 1 d G . . . .
O20 O 0.5292(3) 0.5087(2) 0.84442(17) 0.0423(9) Uani 1 1 d G . . . .
H20A H 0.452985 0.500157 0.851704 0.063 Uiso 1 1 d G . . . .
H20B H 0.559003 0.494078 0.806559 0.063 Uiso 1 1 d G . . . .
O21 O 0.1741(9) 0.3894(8) 0.3148(8) 0.358(9) 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
Eu1 Eu1 3.9996(12) 2_765 ?
Eu1 O25 2.440(3) . ?
Eu1 O24 2.501(3) . ?
Eu1 O7 2.422(3) 2_765 ?
Eu1 O8 2.869(3) 2_765 ?
Eu1 O8 2.335(3) . ?
Eu1 O9 2.458(3) 2_666 ?
Eu1 O10 2.410(3) 2_666 ?
Eu1 O17 2.353(3) 2_665 ?
Eu1 O18 2.474(3) 1_655 ?
Eu1 C25 3.008(4) 2_765 ?
Eu1 C41 2.784(4) 2_666 ?
Eu2 O14 2.506(3) . ?
Eu2 O13 2.531(2) 2_666 ?
Eu2 O13 2.387(3) . ?
Eu2 O3 2.441(3) . ?
Eu2 O4 2.594(3) . ?
Eu2 O5 2.473(3) . ?
Eu2 O6 3.011(4) . ?
Eu2 O12 2.379(3) 2_666 ?
Eu2 O16 2.917(4) . ?
Eu2 O15 2.427(3) . ?
Eu2 C7 2.884(4) . ?
Eu2 C58 3.051(4) . ?
Eu3 O1 2.422(4) 1_655 ?
Eu3 O13 2.355(3) . ?
Eu3 O2 2.513(3) 1_655 ?
Eu3 O4 2.437(3) . ?
Eu3 O6 2.343(3) . ?
Eu3 O11 2.342(3) . ?
Eu3 O12 3.086(3) . ?
Eu3 O16 2.420(3) 2_666 ?
Eu3 N4 2.606(4) 2_756 ?
Eu3 C8 2.824(5) 1_655 ?
Eu3 C42 3.047(4) . ?
O1 C8 1.254(6) . ?
O2 C8 1.259(5) . ?
O3 C7 1.255(5) . ?
O4 C7 1.275(5) . ?
O5 C24 1.250(5) . ?
O6 C24 1.256(5) . ?
O7 C25 1.251(5) . ?
O8 C25 1.258(5) . ?
O11 C42 1.260(5) . ?
O12 C42 1.269(5) . ?
O9 C41 1.259(4) . ?
O10 C41 1.266(4) . ?
O16 C58 1.257(5) . ?
O15 C58 1.263(5) . ?
O17 C59 1.272(5) . ?
O18 C59 1.246(5) . ?
N1 N2 1.372(7) . ?
N1 C15 1.365(7) . ?
N2 C17 1.311(9) . ?
N3 N4 1.362(5) . ?
N3 C32 1.345(5) . ?
N4 C34 1.318(6) . ?
N5 N6 1.357(5) . ?
N5 C49 1.345(5) . ?
N6 C51 1.315(6) . ?
N7 N8 1.358(6) . ?
N7 C66 1.342(6) . ?
N8 C68 1.322(8) . ?
C1 C2 1.382(6) . ?
C1 C6 1.394(6) . ?
C2 C3 1.370(6) . ?
C2 C8 1.522(6) . ?
C3 C4 1.412(6) . ?
C4 C5 1.410(6) . ?
C4 C9 1.477(6) . ?
C5 C6 1.384(6) . ?
C6 C7 1.498(6) . ?
C9 C10 1.398(7) . ?
C9 C14 1.381(7) . ?
C10 C11 1.375(8) . ?
C11 C12 1.379(8) . ?
C12 C13 1.384(7) . ?
C12 C15 1.459(7) . ?
C13 C14 1.392(7) . ?
C15 C16 1.373(8) . ?
C16 C17 1.405(8) . ?
C18 C19 1.408(5) . ?
C18 C23 1.394(5) . ?
C19 C20 1.389(5) . ?
C19 C25 1.493(5) . ?
C20 C21 1.396(5) . ?
C21 C22 1.411(6) . ?
C21 C26 1.487(6) . ?
C22 C23 1.380(6) . ?
C23 C24 1.520(5) . ?
C26 C27 1.386(6) . ?
C26 C31 1.395(6) . ?
C27 C28 1.389(7) . ?
C28 C29 1.377(6) . ?
C29 C30 1.389(6) . ?
C29 C32 1.473(6) . ?
C30 C31 1.386(6) . ?
C32 C33 1.386(7) . ?
C33 C34 1.406(7) . ?
C35 C36 1.391(5) . ?
C35 C40 1.383(5) . ?
C36 C37 1.392(5) . ?
C36 C42 1.496(5) . ?
C37 C38 1.396(5) . ?
C38 C39 1.409(5) . ?
C38 C43 1.487(5) . ?
C39 C40 1.383(5) . ?
C40 C41 1.494(5) . ?
C43 C44 1.386(5) . ?
C43 C48 1.396(6) . ?
C44 C45 1.379(6) . ?
C45 C46 1.384(6) . ?
C46 C47 1.395(6) . ?
C46 C49 1.468(5) . ?
C47 C48 1.367(6) . ?
C49 C50 1.371(6) . ?
C50 C51 1.386(6) . ?
C52 C53 1.389(5) . ?
C52 C57 1.388(5) . ?
C53 C54 1.404(5) . ?
C53 C59 1.510(5) . ?
C54 C55 1.400(5) . ?
C55 C56 1.397(6) . ?
C55 C60 1.490(5) . ?
C56 C57 1.392(5) . ?
C57 C58 1.495(6) . ?
C60 C61 1.379(7) . ?
C60 C65 1.395(6) . ?
C61 C62 1.389(6) . ?
C62 C63 1.396(7) . ?
C63 C64 1.376(7) . ?
C63 C66 1.480(6) . ?
C64 C65 1.385(6) . ?
C66 C67 1.399(7) . ?
C67 C68 1.375(7) . ?

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
O25 Eu1 Eu1 144.40(7) . 2_765 ?
O25 Eu1 O24 73.59(12) . . ?
O25 Eu1 O8 117.57(10) . 2_765 ?
O25 Eu1 O9 73.92(10) . 2_666 ?
O25 Eu1 O18 140.68(10) . 1_655 ?
O25 Eu1 C25 96.54(11) . 2_765 ?
O25 Eu1 C41 80.84(11) . 2_666 ?
O24 Eu1 Eu1 108.18(9) . 2_765 ?
O24 Eu1 O8 132.25(10) . 2_765 ?
O24 Eu1 C25 142.48(10) . 2_765 ?
O24 Eu1 C41 97.52(11) . 2_666 ?
O7 Eu1 Eu1 82.93(7) 2_765 2_765 ?
O7 Eu1 O25 78.21(11) 2_765 . ?
O7 Eu1 O24 144.38(11) 2_765 . ?
O7 Eu1 O8 48.04(9) 2_765 2_765 ?
O7 Eu1 O9 72.21(9) 2_765 2_666 ?
O7 Eu1 O18 83.31(10) 2_765 1_655 ?
O7 Eu1 C25 23.63(10) 2_765 2_765 ?
O7 Eu1 C41 99.03(10) 2_765 2_666 ?
O8 Eu1 Eu1 35.09(5) 2_765 2_765 ?
O8 Eu1 Eu1 44.96(7) . 2_765 ?
O8 Eu1 O25 145.51(11) . . ?
O8 Eu1 O24 73.03(11) . . ?
O8 Eu1 O7 127.66(10) . 2_765 ?
O8 Eu1 O8 80.05(9) . 2_765 ?
O8 Eu1 O9 131.23(9) . 2_666 ?
O8 Eu1 O10 93.45(10) . 2_666 ?
O8 Eu1 O17 87.03(10) . 2_665 ?
O8 Eu1 O18 71.50(10) . 1_655 ?
O8 Eu1 C25 24.58(9) 2_765 2_765 ?
O8 Eu1 C25 104.62(10) . 2_765 ?
O8 Eu1 C41 111.95(10) . 2_666 ?
O9 Eu1 Eu1 127.95(7) 2_666 2_765 ?
O9 Eu1 O24 118.75(11) 2_666 . ?
O9 Eu1 O8 108.72(8) 2_666 2_765 ?
O9 Eu1 O18 67.45(9) 2_666 1_655 ?
O9 Eu1 C25 91.48(9) 2_666 2_765 ?
O9 Eu1 C41 26.88(10) 2_666 2_666 ?
O10 Eu1 Eu1 130.22(8) 2_666 2_765 ?
O10 Eu1 O25 84.98(11) 2_666 . ?
O10 Eu1 O24 73.06(10) 2_666 . ?
O10 Eu1 O7 125.83(9) 2_666 2_765 ?
O10 Eu1 O8 148.34(9) 2_666 2_765 ?
O10 Eu1 O9 53.65(9) 2_666 2_666 ?
O10 Eu1 O18 78.21(10) 2_666 1_655 ?
O10 Eu1 C25 143.38(9) 2_666 2_765 ?
O10 Eu1 C41 27.02(10) 2_666 2_666 ?
O17 Eu1 Eu1 70.85(7) 2_665 2_765 ?
O17 Eu1 O25 75.84(10) 2_665 . ?
O17 Eu1 O24 74.31(11) 2_665 . ?
O17 Eu1 O7 78.07(10) 2_665 2_765 ?
O17 Eu1 O8 65.47(9) 2_665 2_765 ?
O17 Eu1 O9 141.04(9) 2_665 2_666 ?
O17 Eu1 O10 145.67(10) 2_665 2_666 ?
O17 Eu1 O18 133.45(10) 2_665 1_655 ?
O17 Eu1 C25 68.17(10) 2_665 2_765 ?
O17 Eu1 C41 156.61(11) 2_665 2_666 ?
O18 Eu1 Eu1 64.73(7) 1_655 2_765 ?
O18 Eu1 O24 132.23(10) 1_655 . ?
O18 Eu1 O8 70.31(9) 1_655 2_765 ?
O18 Eu1 C25 77.82(10) 1_655 2_765 ?
O18 Eu1 C41 68.13(11) 1_655 2_666 ?
C25 Eu1 Eu1 59.66(8) 2_765 2_765 ?
C41 Eu1 Eu1 132.24(8) 2_666 2_765 ?
C41 Eu1 O8 129.27(10) 2_666 2_765 ?
C41 Eu1 C25 116.93(10) 2_666 2_765 ?
O14 Eu2 O13 137.48(11) . 2_666 ?
O14 Eu2 O4 70.98(11) . . ?
O14 Eu2 O6 66.25(11) . . ?
O14 Eu2 O16 107.77(11) . . ?
O14 Eu2 C7 68.23(12) . . ?
O14 Eu2 C58 86.69(12) . . ?
O13 Eu2 O14 127.11(10) . . ?
O13 Eu2 O13 67.36(10) . 2_666 ?
O13 Eu2 O3 108.91(10) . . ?
O13 Eu2 O4 81.32(9) 2_666 . ?
O13 Eu2 O4 69.82(9) . . ?
O13 Eu2 O5 86.99(11) . . ?
O13 Eu2 O6 63.64(8) . . ?
O13 Eu2 O6 124.68(8) 2_666 . ?
O13 Eu2 O16 61.98(8) 2_666 . ?
O13 Eu2 O16 123.09(8) . . ?
O13 Eu2 O15 163.24(10) . . ?
O13 Eu2 C7 89.68(11) . . ?
O13 Eu2 C7 72.65(10) 2_666 . ?
O13 Eu2 C58 146.01(10) . . ?
O13 Eu2 C58 85.51(10) 2_666 . ?
O3 Eu2 O14 70.29(12) . . ?
O3 Eu2 O13 67.24(10) . 2_666 ?
O3 Eu2 O4 51.79(10) . . ?
O3 Eu2 O5 138.39(11) . . ?
O3 Eu2 O6 106.36(10) . . ?
O3 Eu2 O16 73.77(10) . . ?
O3 Eu2 C7 25.56(11) . . ?
O3 Eu2 C58 76.46(11) . . ?
O4 Eu2 O6 59.15(9) . . ?
O4 Eu2 O16 123.25(9) . . ?
O4 Eu2 C7 26.23(10) . . ?
O4 Eu2 C58 127.74(10) . . ?
O5 Eu2 O14 69.61(13) . . ?
O5 Eu2 O13 150.56(11) . 2_666 ?
O5 Eu2 O4 103.89(10) . . ?
O5 Eu2 O6 45.93(9) . . ?
O5 Eu2 O16 129.67(10) . . ?
O5 Eu2 C7 123.43(11) . . ?
O5 Eu2 C58 111.63(12) . . ?
O6 Eu2 C58 148.88(10) . . ?
O12 Eu2 O14 133.46(11) 2_666 . ?
O12 Eu2 O13 81.72(9) 2_666 2_666 ?
O12 Eu2 O13 85.67(10) 2_666 . ?
O12 Eu2 O3 135.55(11) 2_666 . ?
O12 Eu2 O4 154.15(9) 2_666 . ?
O12 Eu2 O5 82.19(11) 2_666 . ?
O12 Eu2 O6 117.52(10) 2_666 . ?
O12 Eu2 O16 63.56(10) 2_666 . ?
O12 Eu2 O15 77.61(11) 2_666 . ?
O12 Eu2 C7 153.72(11) 2_666 . ?
O12 Eu2 C58 69.89(11) 2_666 . ?
O16 Eu2 O6 173.07(8) . . ?
O16 Eu2 C58 24.19(10) . . ?
O15 Eu2 O14 67.47(11) . . ?
O15 Eu2 O13 108.51(10) . 2_666 ?
O15 Eu2 O3 82.88(12) . . ?
O15 Eu2 O4 126.49(10) . . ?
O15 Eu2 O5 91.81(12) . . ?
O15 Eu2 O6 125.65(9) . . ?
O15 Eu2 O16 47.44(9) . . ?
O15 Eu2 C7 104.81(12) . . ?
O15 Eu2 C58 23.28(11) . . ?
C7 Eu2 O6 82.87(11) . . ?
C7 Eu2 O16 98.31(11) . . ?
C7 Eu2 C58 101.78(12) . . ?
O1 Eu3 Eu2 107.37(8) 1_655 . ?
O1 Eu3 O2 52.72(11) 1_655 1_655 ?
O1 Eu3 O4 146.13(11) 1_655 . ?
O1 Eu3 O12 135.74(12) 1_655 . ?
O1 Eu3 N4 99.52(13) 1_655 2_756 ?
O1 Eu3 C8 26.26(12) 1_655 1_655 ?
O1 Eu3 C42 137.01(12) 1_655 . ?
O13 Eu3 Eu2 37.23(6) . . ?
O13 Eu3 O1 88.77(11) . 1_655 ?
O13 Eu3 O2 135.82(10) . 1_655 ?
O13 Eu3 O4 73.14(9) . . ?
O13 Eu3 O12 70.96(8) . . ?
O13 Eu3 O16 72.52(10) . 2_666 ?
O13 Eu3 N4 147.84(10) . 2_756 ?
O13 Eu3 C8 113.04(11) . 1_655 ?
O13 Eu3 C42 94.67(10) . . ?
O2 Eu3 Eu2 158.45(7) 1_655 . ?
O2 Eu3 O12 119.41(9) 1_655 . ?
O2 Eu3 N4 69.26(11) 1_655 2_756 ?
O2 Eu3 C8 26.48(11) 1_655 1_655 ?
O2 Eu3 C42 100.42(11) 1_655 . ?
O4 Eu3 Eu2 42.71(6) . . ?
O4 Eu3 O2 150.99(10) . 1_655 ?
O4 Eu3 O12 65.35(9) . . ?
O4 Eu3 N4 83.38(11) . 2_756 ?
O4 Eu3 C8 161.34(11) . 1_655 ?
O4 Eu3 C42 74.22(11) . . ?
O6 Eu3 Eu2 52.60(9) . . ?
O6 Eu3 O1 76.63(13) . 1_655 ?
O6 Eu3 O13 76.08(10) . . ?
O6 Eu3 O2 109.28(11) . 1_655 ?
O6 Eu3 O4 71.40(11) . . ?
O6 Eu3 O12 131.27(10) . . ?
O6 Eu3 O16 138.54(12) . 2_666 ?
O6 Eu3 N4 75.77(12) . 2_756 ?
O6 Eu3 C8 92.55(13) . 1_655 ?
O6 Eu3 C42 145.61(12) . . ?
O11 Eu3 Eu2 115.48(8) . . ?
O11 Eu3 O1 134.70(12) . 1_655 ?
O11 Eu3 O13 116.89(9) . . ?
O11 Eu3 O2 85.97(11) . 1_655 ?
O11 Eu3 O4 79.10(11) . . ?
O11 Eu3 O6 142.62(12) . . ?
O11 Eu3 O12 45.94(9) . . ?
O11 Eu3 O16 77.10(11) . 2_666 ?
O11 Eu3 N4 78.55(11) . 2_756 ?
O11 Eu3 C8 111.05(12) . 1_655 ?
O11 Eu3 C42 22.54(10) . . ?
O12 Eu3 Eu2 79.98(6) . . ?
O16 Eu3 Eu2 108.13(8) 2_666 . ?
O16 Eu3 O1 76.33(13) 2_666 1_655 ?
O16 Eu3 O2 77.31(11) 2_666 1_655 ?
O16 Eu3 O4 122.36(11) 2_666 . ?
O16 Eu3 O12 60.33(10) 2_666 . ?
O16 Eu3 N4 139.61(11) 2_666 2_756 ?
O16 Eu3 C8 75.95(12) 2_666 1_655 ?
O16 Eu3 C42 64.16(11) 2_666 . ?
N4 Eu3 Eu2 111.32(8) 2_756 . ?
N4 Eu3 O12 118.74(11) 2_756 . ?
N4 Eu3 C8 83.46(13) 2_756 1_655 ?
N4 Eu3 C42 99.83(11) 2_756 . ?
C8 Eu3 Eu2 133.02(9) 1_655 . ?
C8 Eu3 O12 133.04(11) 1_655 . ?
C8 Eu3 C42 121.17(12) 1_655 . ?
C42 Eu3 Eu2 100.64(8) . . ?
C42 Eu3 O12 23.87(9) . . ?
C8 O1 Eu3 95.0(3) . 1_455 ?
Eu2 O13 Eu2 112.64(10) . 2_666 ?
Eu3 O13 Eu2 106.12(10) . . ?
Eu3 O13 Eu2 107.15(10) . 2_666 ?
C8 O2 Eu3 90.6(3) . 1_455 ?
C7 O3 Eu2 97.4(3) . . ?
Eu3 O4 Eu2 97.71(9) . . ?
C7 O4 Eu2 89.7(2) . . ?
C7 O4 Eu3 161.8(3) . . ?
C24 O5 Eu2 108.3(3) . . ?
Eu3 O6 Eu2 89.21(9) . . ?
C24 O6 Eu2 82.2(3) . . ?
C24 O6 Eu3 153.0(3) . . ?
C25 O7 Eu1 105.4(2) . 2_765 ?
Eu1 O8 Eu1 99.95(9) . 2_765 ?
C25 O8 Eu1 175.6(3) . . ?
C25 O8 Eu1 83.9(2) . 2_765 ?
C42 O11 Eu3 112.0(2) . . ?
Eu2 O12 Eu3 91.10(9) 2_666 . ?
C42 O12 Eu2 148.4(3) . 2_666 ?
C42 O12 Eu3 76.3(2) . . ?
C41 O9 Eu1 91.1(2) . 2_666 ?
C41 O10 Eu1 93.2(2) . 2_666 ?
Eu3 O16 Eu2 94.49(11) 2_666 . ?
C58 O16 Eu2 83.9(3) . . ?
C58 O16 Eu3 160.6(3) . 2_666 ?
C58 O15 Eu2 107.3(3) . . ?
C59 O17 Eu1 134.0(2) . 2_665 ?
C59 O18 Eu1 136.3(2) . 1_455 ?
C15 N1 N2 109.8(6) . . ?
C17 N2 N1 106.9(5) . . ?
C32 N3 N4 112.2(4) . . ?
N3 N4 Eu3 117.2(3) . 2_756 ?
C34 N4 Eu3 137.1(3) . 2_756 ?
C34 N4 N3 105.2(4) . . ?
C49 N5 N6 112.1(4) . . ?
C51 N6 N5 104.7(3) . . ?
C66 N7 N8 103.4(4) . . ?
C68 N8 N7 113.5(4) . . ?
C2 C1 C6 119.9(4) . . ?
C1 C2 C8 118.8(4) . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 C8 121.7(4) . . ?
C2 C3 C4 122.4(4) . . ?
C3 C4 C9 123.0(4) . . ?
C5 C4 C3 117.3(4) . . ?
C5 C4 C9 119.7(4) . . ?
C6 C5 C4 119.9(4) . . ?
C1 C6 C7 118.4(4) . . ?
C5 C6 C1 121.0(4) . . ?
C5 C6 C7 120.6(4) . . ?
O3 C7 Eu2 57.0(2) . . ?
O3 C7 O4 121.1(4) . . ?
O3 C7 C6 117.6(4) . . ?
O4 C7 Eu2 64.1(2) . . ?
O4 C7 C6 121.3(4) . . ?
C6 C7 Eu2 174.7(3) . . ?
O1 C8 Eu3 58.7(2) . 1_455 ?
O1 C8 O2 121.5(4) . . ?
O1 C8 C2 119.1(4) . . ?
O2 C8 Eu3 62.9(2) . 1_455 ?
O2 C8 C2 119.3(4) . . ?
C2 C8 Eu3 176.7(3) . 1_455 ?
C10 C9 C4 120.3(5) . . ?
C14 C9 C4 122.9(4) . . ?
C14 C9 C10 116.6(5) . . ?
C11 C10 C9 121.3(6) . . ?
C10 C11 C12 121.9(5) . . ?
C11 C12 C13 117.5(5) . . ?
C11 C12 C15 122.0(5) . . ?
C13 C12 C15 120.5(5) . . ?
C12 C13 C14 120.7(5) . . ?
C9 C14 C13 122.0(5) . . ?
N1 C15 C12 122.5(5) . . ?
N1 C15 C16 106.9(5) . . ?
C16 C15 C12 130.5(5) . . ?
C15 C16 C17 105.9(6) . . ?
N2 C17 C16 110.4(6) . . ?
C23 C18 C19 119.2(4) . . ?
C18 C19 C25 122.5(3) . . ?
C20 C19 C18 119.3(3) . . ?
C20 C19 C25 118.0(3) . . ?
C19 C20 C21 122.3(4) . . ?
C20 C21 C22 117.1(4) . . ?
C20 C21 C26 119.3(4) . . ?
C22 C21 C26 123.5(4) . . ?
C23 C22 C21 121.6(4) . . ?
C18 C23 C24 120.6(4) . . ?
C22 C23 C18 120.5(4) . . ?
C22 C23 C24 118.9(4) . . ?
O5 C24 Eu2 49.2(2) . . ?
O5 C24 O6 122.4(4) . . ?
O5 C24 C23 120.5(4) . . ?
O6 C24 Eu2 74.1(2) . . ?
O6 C24 C23 117.1(4) . . ?
C23 C24 Eu2 165.7(3) . . ?
O7 C25 Eu1 50.92(18) . 2_765 ?
O7 C25 O8 121.8(3) . . ?
O7 C25 C19 118.0(3) . . ?
O8 C25 Eu1 71.5(2) . 2_765 ?
O8 C25 C19 120.2(3) . . ?
C19 C25 Eu1 165.7(3) . 2_765 ?
C27 C26 C21 121.5(4) . . ?
C27 C26 C31 117.1(4) . . ?
C31 C26 C21 121.4(4) . . ?
C26 C27 C28 121.5(4) . . ?
C29 C28 C27 121.3(5) . . ?
C28 C29 C30 117.6(4) . . ?
C28 C29 C32 121.0(4) . . ?
C30 C29 C32 121.4(4) . . ?
C31 C30 C29 121.3(4) . . ?
C30 C31 C26 121.1(4) . . ?
N3 C32 C29 121.3(4) . . ?
N3 C32 C33 106.2(4) . . ?
C33 C32 C29 132.5(4) . . ?
C32 C33 C34 105.1(4) . . ?
N4 C34 C33 111.2(5) . . ?
C40 C35 C36 119.1(4) . . ?
C35 C36 C37 119.9(3) . . ?
C35 C36 C42 121.0(3) . . ?
C37 C36 C42 119.0(3) . . ?
C36 C37 C38 121.7(3) . . ?
C37 C38 C39 117.5(3) . . ?
C37 C38 C43 121.0(3) . . ?
C39 C38 C43 121.5(3) . . ?
C40 C39 C38 120.6(3) . . ?
C35 C40 C41 119.9(3) . . ?
C39 C40 C35 121.2(3) . . ?
C39 C40 C41 118.8(3) . . ?
O9 C41 Eu1 61.98(18) . 2_666 ?
O9 C41 O10 120.9(3) . . ?
O9 C41 C40 120.0(3) . . ?
O10 C41 Eu1 59.83(18) . 2_666 ?
O10 C41 C40 119.1(3) . . ?
C40 C41 Eu1 169.7(3) . 2_666 ?
O11 C42 Eu3 45.45(19) . . ?
O11 C42 O12 123.4(4) . . ?
O11 C42 C36 116.6(3) . . ?
O12 C42 Eu3 79.8(2) . . ?
O12 C42 C36 120.0(3) . . ?
C36 C42 Eu3 155.5(3) . . ?
C44 C43 C38 121.9(4) . . ?
C44 C43 C48 116.9(4) . . ?
C48 C43 C38 121.2(3) . . ?
C45 C44 C43 121.9(4) . . ?
C44 C45 C46 120.7(4) . . ?
C45 C46 C47 117.9(4) . . ?
C45 C46 C49 122.0(4) . . ?
C47 C46 C49 120.1(4) . . ?
C48 C47 C46 121.1(4) . . ?
C47 C48 C43 121.5(4) . . ?
N5 C49 C46 122.8(4) . . ?
N5 C49 C50 105.9(4) . . ?
C50 C49 C46 131.2(4) . . ?
C49 C50 C51 105.7(4) . . ?
N6 C51 C50 111.5(4) . . ?
C57 C52 C53 120.2(3) . . ?
C52 C53 C54 120.3(3) . . ?
C52 C53 C59 119.5(3) . . ?
C54 C53 C59 120.1(3) . . ?
C55 C54 C53 119.3(4) . . ?
C54 C55 C60 119.9(4) . . ?
C56 C55 C54 119.6(4) . . ?
C56 C55 C60 120.3(4) . . ?
C57 C56 C55 120.5(4) . . ?
C52 C57 C56 119.8(4) . . ?
C52 C57 C58 120.3(3) . . ?
C56 C57 C58 119.8(3) . . ?
O16 C58 Eu2 71.9(2) . . ?
O16 C58 O15 121.2(4) . . ?
O16 C58 C57 119.7(4) . . ?
O15 C58 Eu2 49.4(2) . . ?
O15 C58 C57 119.1(4) . . ?
C57 C58 Eu2 168.0(3) . . ?
O17 C59 C53 114.6(3) . . ?
O18 C59 O17 125.8(3) . . ?
O18 C59 C53 119.6(3) . . ?
C61 C60 C55 122.1(4) . . ?
C61 C60 C65 118.3(4) . . ?
C65 C60 C55 119.4(4) . . ?
C60 C61 C62 121.3(5) . . ?
C61 C62 C63 120.1(5) . . ?
C62 C63 C66 119.3(5) . . ?
C64 C63 C62 118.2(4) . . ?
C64 C63 C66 122.5(4) . . ?
C63 C64 C65 121.6(4) . . ?
C64 C65 C60 120.2(4) . . ?
N7 C66 C63 119.9(5) . . ?
N7 C66 C67 111.3(4) . . ?
C67 C66 C63 128.6(5) . . ?
C68 C67 C66 104.8(5) . . ?
N8 C68 C67 106.9(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 0.500 0.500 182 30 ' '
2 0.327 0.215 0.386 22 3 ' '
3 0.672 0.785 0.614 22 3 ' '
_platon_squeeze_details          
;
;
# start Validation Reply Form
_vrf_PLAT306_2                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O21 Check 
RESPONSE: This problem is due to the huge disorder of the water molecules. 
The water molecules have been assigned to isolated residual peaks, nevertheless
hydrogen atoms can not be assigned.
;
_vrf_PLAT990_2                   
;
PROBLEM: Deprecated RES file style based SQUEEZE job ....          ! Note 
RESPONSE: This problem is due to the huge disorder of the water molecules,so
 deleted some disorderly solvents.
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1565345'
_audit_update_record             
;
2017-08-11 deposited with the CCDC.
2017-08-21 downloaded from the CCDC.
;
_audit_creation_date             2017-08-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H30 Eu2 N6 O15, O'
_chemical_formula_sum            'C51 H30 Eu2 N6 O17'
_chemical_formula_weight         1302.73
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   24.7001(9)
_cell_length_b                   13.6925(4)
_cell_length_c                   33.0957(11)
_cell_angle_alpha                90
_cell_angle_beta                 102.6620(10)
_cell_angle_gamma                90
_cell_volume                     10921.0(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9545
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.52
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.350
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0730 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.8788.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   'SADABS(Bruker 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       strip
_exptl_crystal_F_000             5120
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12538
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         2.940
_diffrn_ambient_temperature      295.12
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10654
_reflns_number_total             12538
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.056
_refine_diff_density_min         -1.062
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     811
_refine_ls_number_reflns         12538
_refine_ls_number_restraints     829
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      3.525
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0336P)²+60.8272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0839
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Restrained distances
 O16-O16
 3.6 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Others
 Fixed Sof: C44(0.5) H44(0.5) C45(0.5) H45(0.5) C47(0.5) H47(0.5) C48(0.5)
 H48(0.5) C49(0.5) H49(0.5) C50(0.5) H50(0.5) C51(0.5) H51(0.5) C52(0.5)
 H52(0.5) C1AA(0.5) C0AA(0.5) H0AA(0.5) C6AA(0.5) H6AA(0.5) C3AA(0.5) C4AA(0.5)
 H4AA(0.5) C8AA(0.5) C7AA(0.5) H7AA(0.5) N9AA(0.5) H9AA(0.5) C0BA(0.5)
 C1BA(0.5) H1BA(0.5) N2BA(0.5) C3BA(0.5) H3BA(0.5) C4BA(0.5) N2BB(0.5)
 C3BB(0.5) H3BB(0.5) N9AB(0.5) H9AB(0.5) C1BB(0.5) H1BB(0.5) C0BB(0.5)
 C5AA(0.5) H5AA(0.5) C2AA(0.5) H2AA(0.5) C2AB(0.5) H2AB(0.5) C5AB(0.5) H5AB(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 N1(H1), N4(H4), C1(H1A), C3(H3), C5(H5), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C20(H20), C22(H22), C35(H35), C37(H37),
  C39(H39), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C52(H52), C54(H54), C55(H55), C0AA(H0AA), C6AA(H6AA), C4AA(H4AA),
 C7AA(H7AA), N9AA(H9AA), C1BA(H1BA), C3BA(H3BA), C3BB(H3BB), N9AB(H9AB),
 C1BB(H1BB), C5AA(H5AA), C2AA(H2AA), C2AB(H2AB), C5AB(H5AB)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.66099(2) 0.23462(2) 0.75358(2) 0.01893(5) Uani 1 1 d . U . . .
Eu02 Eu 0.78095(2) -0.03686(2) 0.67486(2) 0.02306(6) Uani 1 1 d . U . . .
O1 O 0.36547(11) 0.34282(19) 0.69631(8) 0.0269(6) Uani 1 1 d . U . . .
O2 O 0.33328(14) 0.3754(3) 0.63078(9) 0.0525(9) Uani 1 1 d . U . . .
O3 O 0.60387(11) 0.1696(2) 0.68725(8) 0.0310(6) Uani 1 1 d . U . . .
O4 O 0.56274(12) 0.2278(3) 0.73424(8) 0.0418(8) Uani 1 1 d . U . . .
O5 O 0.74273(11) 0.29198(19) 0.80216(8) 0.0282(6) Uani 1 1 d . U . . .
O6 O 0.78561(12) 0.33677(19) 0.86459(8) 0.0297(6) Uani 1 1 d . U . . .
O7 O 0.80504(13) -0.0201(2) 0.74632(9) 0.0394(7) Uani 1 1 d . U . . .
O8 O 0.85682(14) -0.1235(2) 0.78972(10) 0.0413(7) Uani 1 1 d . U . . .
O9 O 0.76495(15) 0.1308(2) 0.67518(10) 0.0448(8) Uani 1 1 d . U . . .
O10 O 0.73159(12) 0.2244(2) 0.71818(9) 0.0344(7) Uani 1 1 d . U . . .
O11 O 0.82169(13) 0.5622(2) 0.73879(8) 0.0324(6) Uani 1 1 d . U . . .
O12 O 0.83894(14) 0.6331(2) 0.68415(9) 0.0387(7) Uani 1 1 d . U . . .
O13 O 0.87064(17) 0.0514(3) 0.68585(17) 0.0805(14) Uani 1 1 d . U . . .
O14 O 0.69029(12) -0.0219(2) 0.69045(10) 0.0403(7) Uani 1 1 d . U . . .
O15 O 0.75472(16) 0.0121(3) 0.60093(10) 0.0513(9) Uani 1 1 d . U . . .
N1 N 0.40266(16) 0.1137(3) 0.39345(11) 0.0455(10) Uani 1 1 d . U . . .
H1 H 0.370864 0.129986 0.397926 0.055 Uiso 1 1 calc R . . . .
N2 N 0.41031(18) 0.0859(4) 0.35588(12) 0.0555(11) Uani 1 1 d . U . . .
N3 N 0.8502(2) 0.3995(4) 0.42423(12) 0.0572(12) Uani 1 1 d . U . . .
N4 N 0.85619(19) 0.3588(4) 0.38849(12) 0.0568(12) Uani 1 1 d . U . . .
H4 H 0.861678 0.391820 0.367661 0.068 Uiso 1 1 calc R . . . .
C1 C 0.46347(16) 0.2620(3) 0.67731(12) 0.0282(8) Uani 1 1 d . U . . .
H1A H 0.464794 0.275820 0.705015 0.034 Uiso 1 1 calc R . . . .
C2 C 0.50877(16) 0.2188(3) 0.66554(12) 0.0287(8) Uani 1 1 d . U . . .
C3 C 0.50575(17) 0.1942(3) 0.62434(12) 0.0333(9) Uani 1 1 d . U . . .
H3 H 0.535754 0.163271 0.617064 0.040 Uiso 1 1 calc R . . . .
C4 C 0.45849(18) 0.2150(4) 0.59359(12) 0.0356(9) Uani 1 1 d . U . . .
C5 C 0.41463(18) 0.2619(4) 0.60601(13) 0.0364(10) Uani 1 1 d . U . . .
H5 H 0.383247 0.278753 0.586089 0.044 Uiso 1 1 calc R . . . .
C6 C 0.41648(16) 0.2840(3) 0.64732(12) 0.0282(8) Uani 1 1 d . U . . .
C7 C 0.36912(17) 0.3355(3) 0.65857(12) 0.0288(8) Uani 1 1 d . U . . .
C8 C 0.56103(16) 0.2028(3) 0.69718(11) 0.0273(8) Uani 1 1 d . U . . .
C9 C 0.45591(18) 0.1895(4) 0.54953(13) 0.0447(11) Uani 1 1 d . U . . .
C10 C 0.5010(2) 0.1669(7) 0.53536(17) 0.086(2) Uani 1 1 d . U . . .
H10 H 0.535300 0.166754 0.553840 0.103 Uiso 1 1 calc R . . . .
C11 C 0.4988(2) 0.1436(7) 0.49428(17) 0.088(2) Uani 1 1 d . U . . .
H11 H 0.531717 0.130577 0.486085 0.106 Uiso 1 1 calc R . . . .
C12 C 0.45106(19) 0.1391(4) 0.46600(13) 0.0463(12) Uani 1 1 d . U . . .
C13 C 0.4044(3) 0.1558(7) 0.48032(18) 0.088(2) Uani 1 1 d . U . . .
H13 H 0.369914 0.149795 0.462291 0.106 Uiso 1 1 calc R . . . .
C14 C 0.4070(3) 0.1814(7) 0.52112(17) 0.090(2) Uani 1 1 d . U . . .
H14 H 0.374049 0.193556 0.529503 0.108 Uiso 1 1 calc R . . . .
C15 C 0.44918(18) 0.1134(4) 0.42289(13) 0.0424(11) Uani 1 1 d . U . . .
C16 C 0.4907(2) 0.0828(6) 0.40360(16) 0.0681(16) Uani 1 1 d . U . . .
H16 H 0.528244 0.074385 0.415396 0.082 Uiso 1 1 calc R . . . .
C17 C 0.4634(3) 0.0675(6) 0.36234(17) 0.0710(17) Uani 1 1 d . U . . .
H17 H 0.481117 0.046516 0.341806 0.085 Uiso 1 1 calc R . . . .
C18 C 0.80698(16) 0.1163(3) 0.80944(12) 0.0277(8) Uani 1 1 d . U . . .
H18 H 0.790208 0.134642 0.782553 0.033 Uiso 1 1 calc R . . . .
C19 C 0.83371(18) 0.0262(3) 0.81698(13) 0.0330(9) Uani 1 1 d . U . . .
C20 C 0.8582(3) -0.0009(4) 0.85701(15) 0.0557(14) Uani 1 1 d . U . . .
H20 H 0.877264 -0.059827 0.861604 0.067 Uiso 1 1 calc R . . . .
C21 C 0.8548(3) 0.0583(4) 0.89075(16) 0.0718(16) Uani 1 1 d . U . . .
C22 C 0.8296(3) 0.1496(4) 0.88238(14) 0.0584(15) Uani 1 1 d . U . . .
H22 H 0.828891 0.192009 0.904215 0.070 Uiso 1 1 calc R . . . .
C23 C 0.80563(18) 0.1785(3) 0.84247(12) 0.0323(9) Uani 1 1 d . U . . .
C24 C 0.77638(16) 0.2741(3) 0.83628(12) 0.0255(8) Uani 1 1 d . U . . .
C25 C 0.83242(17) -0.0440(3) 0.78177(12) 0.0289(8) Uani 1 1 d . U . . .
C35 C 0.79108(16) 0.3856(3) 0.69503(11) 0.0255(8) Uani 1 1 d . U . . .
H35 H 0.782687 0.390891 0.720999 0.031 Uiso 1 1 calc R . . . .
C36 C 0.81315(17) 0.4649(3) 0.67792(12) 0.0263(8) Uani 1 1 d . U . . .
C37 C 0.82347(19) 0.4580(3) 0.63817(13) 0.0342(9) Uani 1 1 d . U . . .
H37 H 0.836780 0.512154 0.626456 0.041 Uiso 1 1 calc R . . . .
C38 C 0.8142(2) 0.3713(3) 0.61585(13) 0.0358(9) Uani 1 1 d . U . . .
C39 C 0.79385(18) 0.2917(3) 0.63427(12) 0.0323(9) Uani 1 1 d . U . . .
H39 H 0.788384 0.232683 0.620073 0.039 Uiso 1 1 calc R . . . .
C40 C 0.78156(16) 0.2979(3) 0.67310(12) 0.0263(8) Uani 1 1 d . U . . .
C41 C 0.75783(16) 0.2114(3) 0.69029(12) 0.0254(8) Uani 1 1 d . U . . .
C42 C 0.82538(17) 0.5588(3) 0.70112(12) 0.0261(8) Uani 1 1 d . U . . .
C43 C 0.8240(2) 0.3626(3) 0.57312(13) 0.0424(10) Uani 1 1 d . U . . .
C44 C 0.8139(5) 0.4342(8) 0.5459(3) 0.048(2) Uani 0.5 1 d . U P A 1
H44 H 0.802409 0.494476 0.553942 0.057 Uiso 0.5 1 calc R . P A 1
C45 C 0.8201(5) 0.4214(8) 0.5044(3) 0.0478(19) Uani 0.5 1 d . U P A 1
H45 H 0.811227 0.473164 0.485945 0.057 Uiso 0.5 1 calc R . P A 1
C46 C 0.8376(2) 0.3411(4) 0.49127(14) 0.0450(10) Uani 1 1 d . U . . .
C47 C 0.8030(5) 0.2796(8) 0.5059(3) 0.0563(19) Uani 0.5 1 d . U P A 2
H47 H 0.784369 0.230712 0.488791 0.068 Uiso 0.5 1 calc R . P A 2
C48 C 0.7951(5) 0.2891(8) 0.5458(3) 0.057(2) Uani 0.5 1 d . U P A 2
H48 H 0.770811 0.247127 0.555096 0.068 Uiso 0.5 1 calc R . P A 2
C49 C 0.8500(5) 0.4314(8) 0.5549(3) 0.0465(19) Uani 0.5 1 d . U P A 2
H49 H 0.864285 0.485816 0.570517 0.056 Uiso 0.5 1 calc R . P A 2
C50 C 0.8567(5) 0.4256(8) 0.5142(3) 0.0458(19) Uani 0.5 1 d . U P A 2
H50 H 0.873372 0.476098 0.502516 0.055 Uiso 0.5 1 calc R . P A 2
C51 C 0.8468(5) 0.2733(8) 0.5619(3) 0.0511(19) Uani 0.5 1 d . U P A 1
H51 H 0.856977 0.223894 0.581344 0.061 Uiso 0.5 1 calc R . P A 1
C52 C 0.8536(5) 0.2610(8) 0.5216(3) 0.0521(19) Uani 0.5 1 d . U P A 1
H52 H 0.867998 0.202981 0.513734 0.062 Uiso 0.5 1 calc R . P A 1
C53 C 0.8442(2) 0.3265(4) 0.44822(14) 0.0467(11) Uani 1 1 d . U . . .
C54 C 0.8446(3) 0.2387(5) 0.42680(18) 0.0745(17) Uani 1 1 d . U . . .
H54 H 0.840145 0.176033 0.436382 0.089 Uiso 1 1 calc R . . . .
C55 C 0.8528(3) 0.2647(5) 0.38884(17) 0.0643(15) Uani 1 1 d . U . . .
H55 H 0.855512 0.222595 0.367301 0.077 Uiso 1 1 calc R . . . .
O16 O 0.7505(4) 0.8156(13) 0.5355(4) 0.289(7) Uani 1 1 d D U . . .
C1AA C 0.8644(6) 0.0187(10) 0.9354(4) 0.060(2) Uani 0.5 1 d . U P B 1
C0AA C 0.8358(6) 0.0410(8) 0.9644(3) 0.060(2) Uani 0.5 1 d . U P B 1
H0AA H 0.803913 0.078809 0.956932 0.072 Uiso 0.5 1 calc R . P B 1
C6AA C 0.8525(6) 0.0090(9) 1.0053(3) 0.068(2) Uani 0.5 1 d . U P B 1
H6AA H 0.832478 0.029129 1.024518 0.081 Uiso 0.5 1 calc R . P B 1
C3AA C 0.8934(7) 0.0377(11) 0.9322(4) 0.075(3) Uani 0.5 1 d . U P B 2
C4AA C 0.8817(7) 0.0849(11) 0.9652(4) 0.084(2) Uani 0.5 1 d . U P B 2
H4AA H 0.858954 0.139711 0.960946 0.101 Uiso 0.5 1 calc R . P B 2
C8AA C 0.8960(7) -0.0490(11) 1.0175(4) 0.075(2) Uani 0.5 1 d . U P B 1
C7AA C 0.9034(8) 0.0523(12) 1.0057(4) 0.090(3) Uani 0.5 1 d . U P B 2
H7AA H 0.896844 0.090761 1.027307 0.108 Uiso 0.5 1 calc R . P B 2
N9AA N 0.8863(7) -0.0641(13) 1.0890(4) 0.110(3) Uani 0.5 1 d . U P B 1
H9AA H 0.859864 -0.022085 1.086109 0.132 Uiso 0.5 1 calc R . P B 1
C0BA C 0.9148(8) -0.0848(14) 1.0603(4) 0.094(3) Uani 0.5 1 d . U P B 1
C1BA C 0.9528(9) -0.1563(15) 1.0766(5) 0.107(3) Uani 0.5 1 d . U P B 1
H1BA H 0.973633 -0.193244 1.062013 0.129 Uiso 0.5 1 calc R . P B 1
N2BA N 0.9058(8) -0.1211(14) 1.1252(5) 0.122(3) Uani 0.5 1 d . U P B 1
C3BA C 0.9544(10) -0.1629(16) 1.1174(5) 0.116(3) Uani 0.5 1 d . U P B 1
H3BA H 0.982949 -0.190501 1.137084 0.139 Uiso 0.5 1 calc R . P B 1
C4BA C 0.9317(8) -0.0268(13) 1.0154(5) 0.091(3) Uani 0.5 1 d . U P B 2
N2BB N 0.9399(8) -0.0619(14) 1.1279(4) 0.121(3) Uani 0.5 1 d . U P B 2
C3BB C 0.9849(10) -0.1103(16) 1.1180(5) 0.118(3) Uani 0.5 1 d . U P B 2
H3BB H 1.012566 -0.135126 1.139200 0.142 Uiso 0.5 1 calc R . P B 2
N9AB N 0.9207(8) -0.0242(13) 1.0905(5) 0.117(3) Uani 0.5 1 d . U P B 2
H9AB H 0.893026 0.015378 1.084812 0.141 Uiso 0.5 1 calc R . P B 2
C1BB C 0.9896(9) -0.1230(15) 1.0752(5) 0.115(3) Uani 0.5 1 d . U P B 2
H1BB H 1.011878 -0.164055 1.063454 0.138 Uiso 0.5 1 calc R . P B 2
C0BB C 0.9526(9) -0.0584(14) 1.0588(5) 0.105(3) Uani 0.5 1 d . U P B 2
C5AA C 0.9259(7) -0.0770(13) 0.9887(4) 0.078(3) Uani 0.5 1 d . U P B 1
H5AA H 0.954897 -0.121407 0.996078 0.093 Uiso 0.5 1 calc R . P B 1
C2AA C 0.9130(8) -0.0390(13) 0.9488(4) 0.070(3) Uani 0.5 1 d . U P B 1
H2AA H 0.936254 -0.051404 0.930757 0.084 Uiso 0.5 1 calc R . P B 1
C2AB C 0.9334(8) -0.0306(14) 0.9405(5) 0.081(3) Uani 0.5 1 d . U P B 2
H2AB H 0.948310 -0.058229 0.919708 0.098 Uiso 0.5 1 calc R . P B 2
C5AB C 0.9518(8) -0.0588(13) 0.9829(5) 0.088(3) Uani 0.5 1 d . U P B 2
H5AB H 0.980649 -0.103884 0.988754 0.105 Uiso 0.5 1 calc R . P B 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
Eu01 Eu02 3.9960(3) 4_656 ?
Eu01 O1 2.418(3) 2_656 ?
Eu01 O3 2.499(3) . ?
Eu01 O4 2.372(3) . ?
Eu01 O5 2.420(3) . ?
Eu01 O8 2.396(3) 4_656 ?
Eu01 O10 2.308(3) . ?
Eu01 O11 2.403(3) 4_646 ?
Eu01 O12 2.486(3) 4_646 ?
Eu01 C8 2.784(4) . ?
Eu01 C25 3.266(4) 4_656 ?
Eu01 C42 2.817(4) 4_646 ?
Eu02 O1 2.632(3) 3_545 ?
Eu02 O2 2.463(3) 3_545 ?
Eu02 O5 2.571(3) 4_646 ?
Eu02 O6 2.542(3) 4_646 ?
Eu02 O7 2.320(3) . ?
Eu02 O9 2.330(3) . ?
Eu02 O13 2.479(4) . ?
Eu02 O14 2.414(3) . ?
Eu02 O15 2.482(3) . ?
Eu02 C7 2.933(4) 3_545 ?
Eu02 C24 2.934(4) 4_646 ?
O1 C7 1.276(4) . ?
O2 C7 1.253(5) . ?
O3 C8 1.259(5) . ?
O4 C8 1.265(5) . ?
O5 C24 1.271(5) . ?
O6 C24 1.254(5) . ?
O7 C25 1.262(5) . ?
O8 C25 1.244(5) . ?
O9 C41 1.240(5) . ?
O10 C41 1.252(5) . ?
O11 C42 1.271(4) . ?
O12 C42 1.243(5) . ?
N1 H1 0.8600 . ?
N1 N2 1.352(5) . ?
N1 C15 1.334(6) . ?
N2 C17 1.307(7) . ?
N3 N4 1.345(6) . ?
N3 C53 1.304(7) . ?
N4 H4 0.8600 . ?
N4 C55 1.291(8) . ?
C1 H1A 0.9300 . ?
C1 C2 1.394(5) . ?
C1 C6 1.385(5) . ?
C2 C3 1.391(5) . ?
C2 C8 1.489(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(6) . ?
C4 C5 1.396(6) . ?
C4 C9 1.487(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(5) . ?
C6 C7 1.482(5) . ?
C9 C10 1.336(7) . ?
C9 C14 1.364(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.386(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.336(7) . ?
C12 C13 1.359(7) . ?
C12 C15 1.460(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.383(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.387(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.400(7) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.396(6) . ?
C18 C23 1.392(5) . ?
C19 C20 1.381(6) . ?
C19 C25 1.506(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.397(7) . ?
C21 C22 1.398(7) . ?
C21 C1AA 1.541(13) . ?
C21 C3AA 1.516(14) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(6) . ?
C23 C24 1.488(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.391(5) . ?
C35 C40 1.396(5) . ?
C36 C37 1.397(5) . ?
C36 C42 1.494(5) . ?
C37 H37 0.9300 . ?
C37 C38 1.390(6) . ?
C38 C39 1.394(6) . ?
C38 C43 1.491(6) . ?
C39 H39 0.9300 . ?
C39 C40 1.386(5) . ?
C40 C41 1.489(5) . ?
C43 C44 1.318(12) . ?
C43 C48 1.433(12) . ?
C43 C49 1.355(11) . ?
C43 C51 1.429(11) . ?
C44 H44 0.9300 . ?
C44 C45 1.427(13) . ?
C45 H45 0.9300 . ?
C45 C46 1.290(12) . ?
C46 C47 1.363(12) . ?
C46 C50 1.406(12) . ?
C46 C52 1.481(12) . ?
C46 C53 1.482(6) . ?
C47 H47 0.9300 . ?
C47 C48 1.384(13) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C49 C50 1.398(13) . ?
C50 H50 0.9300 . ?
C51 H51 0.9300 . ?
C51 C52 1.391(13) . ?
C52 H52 0.9300 . ?
C53 C54 1.396(8) . ?
C54 H54 0.9300 . ?
C54 C55 1.363(8) . ?
C55 H55 0.9300 . ?
C1AA C0AA 1.345(16) . ?
C1AA C2AA 1.426(19) . ?
C0AA H0AA 0.9300 . ?
C0AA C6AA 1.396(13) . ?
C6AA H6AA 0.9300 . ?
C6AA C8AA 1.327(17) . ?
C3AA C4AA 1.353(19) . ?
C3AA C2AB 1.34(2) . ?
C4AA H4AA 0.9300 . ?
C4AA C7AA 1.403(17) . ?
C8AA C0BA 1.474(17) . ?
C8AA C5AA 1.38(2) . ?
C7AA H7AA 0.9300 . ?
C7AA C4BA 1.29(2) . ?
N9AA H9AA 0.8600 . ?
N9AA C0BA 1.33(2) . ?
N9AA N2BA 1.422(18) . ?
C0BA C1BA 1.38(2) . ?
C1BA H1BA 0.9300 . ?
C1BA C3BA 1.34(2) . ?
N2BA C3BA 1.41(2) . ?
C3BA H3BA 0.9300 . ?
C4BA C0BB 1.48(2) . ?
C4BA C5AB 1.35(2) . ?
N2BB C3BB 1.39(2) . ?
N2BB N9AB 1.330(18) . ?
C3BB H3BB 0.9300 . ?
C3BB C1BB 1.46(3) . ?
N9AB H9AB 0.8600 . ?
N9AB C0BB 1.52(3) . ?
C1BB H1BB 0.9300 . ?
C1BB C0BB 1.30(2) . ?
C5AA H5AA 0.9300 . ?
C5AA C2AA 1.390(18) . ?
C2AA H2AA 0.9300 . ?
C2AB H2AB 0.9300 . ?
C2AB C5AB 1.43(2) . ?
C5AB H5AB 0.9300 . ?

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 Eu01 Eu02 39.61(6) 2_656 4_656 ?
O1 Eu01 O3 129.44(9) 2_656 . ?
O1 Eu01 O5 69.94(9) 2_656 . ?
O1 Eu01 O12 74.05(9) 2_656 4_646 ?
O1 Eu01 C8 102.86(10) 2_656 . ?
O1 Eu01 C25 73.69(9) 2_656 4_656 ?
O1 Eu01 C42 100.21(10) 2_656 4_646 ?
O3 Eu01 Eu02 149.29(7) . 4_656 ?
O3 Eu01 C8 26.89(10) . . ?
O3 Eu01 C25 94.52(10) . 4_656 ?
O3 Eu01 C42 98.15(11) . 4_646 ?
O4 Eu01 Eu02 113.81(8) . 4_656 ?
O4 Eu01 O1 78.16(10) . 2_656 ?
O4 Eu01 O3 53.25(9) . . ?
O4 Eu01 O5 147.92(10) . . ?
O4 Eu01 O8 80.08(12) . 4_656 ?
O4 Eu01 O11 97.91(12) . 4_646 ?
O4 Eu01 O12 90.94(11) . 4_646 ?
O4 Eu01 C8 26.92(10) . . ?
O4 Eu01 C25 93.91(11) . 4_656 ?
O4 Eu01 C42 96.08(12) . 4_646 ?
O5 Eu01 Eu02 38.11(6) . 4_656 ?
O5 Eu01 O3 158.06(9) . . ?
O5 Eu01 O12 77.39(10) . 4_646 ?
O5 Eu01 C8 169.92(11) . . ?
O5 Eu01 C25 80.62(10) . 4_656 ?
O5 Eu01 C42 86.49(10) . 4_646 ?
O8 Eu01 Eu02 73.43(8) 4_656 4_656 ?
O8 Eu01 O1 82.63(10) 4_656 2_656 ?
O8 Eu01 O3 76.65(10) 4_656 . ?
O8 Eu01 O5 98.70(10) 4_656 . ?
O8 Eu01 O11 149.80(10) 4_656 4_646 ?
O8 Eu01 O12 156.31(10) 4_656 4_646 ?
O8 Eu01 C8 72.92(12) 4_656 . ?
O8 Eu01 C25 18.31(10) 4_656 4_656 ?
O8 Eu01 C42 174.71(11) 4_656 4_646 ?
O10 Eu01 Eu02 97.78(8) . 4_656 ?
O10 Eu01 O1 137.14(10) . 2_656 ?
O10 Eu01 O3 82.90(10) . . ?
O10 Eu01 O4 134.64(10) . . ?
O10 Eu01 O5 75.16(10) . . ?
O10 Eu01 O8 78.80(11) . 4_656 ?
O10 Eu01 O11 81.77(10) . 4_646 ?
O10 Eu01 O12 121.57(10) . 4_646 ?
O10 Eu01 C8 107.93(11) . . ?
O10 Eu01 C25 76.82(10) . 4_656 ?
O10 Eu01 C42 101.70(11) . 4_646 ?
O11 Eu01 Eu02 132.43(7) 4_646 4_656 ?
O11 Eu01 O1 126.77(9) 4_646 2_656 ?
O11 Eu01 O3 78.20(10) 4_646 . ?
O11 Eu01 O5 98.38(10) 4_646 . ?
O11 Eu01 O12 52.81(9) 4_646 4_646 ?
O11 Eu01 C8 91.59(11) 4_646 . ?
O11 Eu01 C25 158.11(10) 4_646 4_656 ?
O11 Eu01 C42 26.70(10) 4_646 4_646 ?
O12 Eu01 Eu02 90.66(7) 4_646 4_656 ?
O12 Eu01 O3 115.26(10) 4_646 . ?
O12 Eu01 C8 107.92(12) 4_646 . ?
O12 Eu01 C25 145.60(10) 4_646 4_656 ?
O12 Eu01 C42 26.16(10) 4_646 4_646 ?
C8 Eu01 Eu02 132.09(8) . 4_656 ?
C8 Eu01 C25 90.67(11) . 4_656 ?
C8 Eu01 C42 102.01(12) . 4_646 ?
C25 Eu01 Eu02 56.36(7) 4_656 4_656 ?
C42 Eu01 Eu02 111.60(8) 4_646 4_656 ?
C42 Eu01 C25 166.98(11) 4_646 4_656 ?
O1 Eu02 Eu01 35.86(6) 3_545 4_646 ?
O1 Eu02 C7 25.78(9) 3_545 3_545 ?
O1 Eu02 C24 79.29(9) 3_545 4_646 ?
O2 Eu02 Eu01 78.60(8) 3_545 4_646 ?
O2 Eu02 O1 50.68(9) 3_545 3_545 ?
O2 Eu02 O5 85.04(12) 3_545 4_646 ?
O2 Eu02 O6 74.22(11) 3_545 4_646 ?
O2 Eu02 O13 75.92(15) 3_545 . ?
O2 Eu02 O15 66.77(11) 3_545 . ?
O2 Eu02 C7 24.97(10) 3_545 3_545 ?
O2 Eu02 C24 78.28(13) 3_545 4_646 ?
O5 Eu02 Eu01 35.52(6) 4_646 4_646 ?
O5 Eu02 O1 64.40(8) 4_646 3_545 ?
O5 Eu02 C7 74.77(10) 4_646 3_545 ?
O5 Eu02 C24 25.61(9) 4_646 4_646 ?
O6 Eu02 Eu01 83.05(6) 4_646 4_646 ?
O6 Eu02 O1 95.62(9) 4_646 3_545 ?
O6 Eu02 O5 50.79(8) 4_646 4_646 ?
O6 Eu02 C7 85.57(10) 4_646 3_545 ?
O6 Eu02 C24 25.18(9) 4_646 4_646 ?
O7 Eu02 Eu01 59.66(8) . 4_646 ?
O7 Eu02 O1 77.05(9) . 3_545 ?
O7 Eu02 O2 126.96(10) . 3_545 ?
O7 Eu02 O5 79.21(10) . 4_646 ?
O7 Eu02 O6 125.70(10) . 4_646 ?
O7 Eu02 O9 84.47(11) . . ?
O7 Eu02 O13 77.34(15) . . ?
O7 Eu02 O14 79.42(11) . . ?
O7 Eu02 O15 158.62(12) . . ?
O7 Eu02 C7 102.21(11) . 3_545 ?
O7 Eu02 C24 102.96(11) . 4_646 ?
O9 Eu02 Eu01 143.90(8) . 4_646 ?
O9 Eu02 O1 137.80(11) . 3_545 ?
O9 Eu02 O2 126.50(12) . 3_545 ?
O9 Eu02 O5 147.90(10) . 4_646 ?
O9 Eu02 O6 125.58(11) . 4_646 ?
O9 Eu02 O13 70.50(14) . . ?
O9 Eu02 O14 75.48(12) . . ?
O9 Eu02 O15 74.36(12) . . ?
O9 Eu02 C7 136.18(12) . 3_545 ?
O9 Eu02 C24 142.37(12) . 4_646 ?
O13 Eu02 Eu01 95.83(11) . 4_646 ?
O13 Eu02 O1 68.59(12) . 3_545 ?
O13 Eu02 O5 130.90(13) . 4_646 ?
O13 Eu02 O6 149.74(14) . 4_646 ?
O13 Eu02 O15 92.56(16) . . ?
O13 Eu02 C7 69.01(13) . 3_545 ?
O13 Eu02 C24 147.07(13) . 4_646 ?
O14 Eu02 Eu01 99.72(8) . 4_646 ?
O14 Eu02 O1 135.51(10) . 3_545 ?
O14 Eu02 O2 143.09(12) . 3_545 ?
O14 Eu02 O5 74.47(10) . 4_646 ?
O14 Eu02 O6 69.01(9) . 4_646 ?
O14 Eu02 O13 140.18(13) . . ?
O14 Eu02 O15 97.70(12) . . ?
O14 Eu02 C7 148.28(11) . 3_545 ?
O14 Eu02 C24 69.94(11) . 4_646 ?
O15 Eu02 Eu01 141.09(8) . 4_646 ?
O15 Eu02 O1 117.08(10) . 3_545 ?
O15 Eu02 O5 120.73(11) . 4_646 ?
O15 Eu02 O6 71.22(11) . 4_646 ?
O15 Eu02 C7 91.36(11) . 3_545 ?
O15 Eu02 C24 95.74(12) . 4_646 ?
C7 Eu02 Eu01 57.17(8) 3_545 4_646 ?
C7 Eu02 C24 78.97(11) 3_545 4_646 ?
C24 Eu02 Eu01 58.97(7) 4_646 4_646 ?
Eu01 O1 Eu02 104.53(9) 2_656 3_455 ?
C7 O1 Eu01 135.3(3) . 2_656 ?
C7 O1 Eu02 90.4(2) . 3_455 ?
C7 O2 Eu02 99.0(2) . 3_455 ?
C8 O3 Eu01 89.3(2) . . ?
C8 O4 Eu01 95.0(2) . . ?
Eu01 O5 Eu02 106.37(10) . 4_656 ?
C24 O5 Eu01 144.7(2) . . ?
C24 O5 Eu02 93.4(2) . 4_656 ?
C24 O6 Eu02 95.2(2) . 4_656 ?
C25 O7 Eu02 152.5(3) . . ?
C25 O8 Eu01 124.5(3) . 4_646 ?
C41 O9 Eu02 156.6(3) . . ?
C41 O10 Eu01 162.5(3) . . ?
C42 O11 Eu01 95.1(2) . 4_656 ?
C42 O12 Eu01 92.0(2) . 4_656 ?
N2 N1 H1 123.2 . . ?
C15 N1 H1 123.2 . . ?
C15 N1 N2 113.5(4) . . ?
C17 N2 N1 104.0(4) . . ?
C53 N3 N4 105.5(5) . . ?
N3 N4 H4 123.6 . . ?
C55 N4 N3 112.7(5) . . ?
C55 N4 H4 123.6 . . ?
C2 C1 H1A 120.3 . . ?
C6 C1 H1A 120.3 . . ?
C6 C1 C2 119.3(3) . . ?
C1 C2 C8 119.4(3) . . ?
C3 C2 C1 120.2(4) . . ?
C3 C2 C8 120.4(3) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.4(4) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C9 121.0(4) . . ?
C5 C4 C3 117.2(4) . . ?
C5 C4 C9 121.8(4) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 121.9(4) . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C5 119.9(4) . . ?
C1 C6 C7 120.5(3) . . ?
C5 C6 C7 119.5(4) . . ?
O1 C7 Eu02 63.8(2) . 3_455 ?
O1 C7 C6 120.8(3) . . ?
O2 C7 Eu02 56.1(2) . 3_455 ?
O2 C7 O1 119.6(4) . . ?
O2 C7 C6 119.5(3) . . ?
C6 C7 Eu02 171.4(3) . 3_455 ?
O3 C8 Eu01 63.8(2) . . ?
O3 C8 O4 119.9(4) . . ?
O3 C8 C2 121.2(3) . . ?
O4 C8 Eu01 58.1(2) . . ?
O4 C8 C2 118.8(3) . . ?
C2 C8 Eu01 162.3(3) . . ?
C10 C9 C4 122.6(4) . . ?
C10 C9 C14 114.9(4) . . ?
C14 C9 C4 122.4(4) . . ?
C9 C10 H10 118.6 . . ?
C9 C10 C11 122.7(5) . . ?
C11 C10 H10 118.6 . . ?
C10 C11 H11 118.7 . . ?
C12 C11 C10 122.5(5) . . ?
C12 C11 H11 118.7 . . ?
C11 C12 C13 115.7(4) . . ?
C11 C12 C15 122.0(4) . . ?
C13 C12 C15 122.3(4) . . ?
C12 C13 H13 119.3 . . ?
C12 C13 C14 121.5(5) . . ?
C14 C13 H13 119.3 . . ?
C9 C14 C13 122.6(5) . . ?
C9 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
N1 C15 C12 123.4(4) . . ?
N1 C15 C16 105.7(4) . . ?
C16 C15 C12 130.9(4) . . ?
C15 C16 H16 127.8 . . ?
C15 C16 C17 104.3(5) . . ?
C17 C16 H16 127.8 . . ?
N2 C17 C16 112.5(5) . . ?
N2 C17 H17 123.8 . . ?
C16 C17 H17 123.8 . . ?
C19 C18 H18 120.3 . . ?
C23 C18 H18 120.3 . . ?
C23 C18 C19 119.5(4) . . ?
C18 C19 C25 119.8(4) . . ?
C20 C19 C18 120.0(4) . . ?
C20 C19 C25 120.1(4) . . ?
C19 C20 H20 119.3 . . ?
C19 C20 C21 121.4(4) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 C22 117.6(5) . . ?
C20 C21 C1AA 122.6(6) . . ?
C20 C21 C3AA 118.7(7) . . ?
C22 C21 C1AA 118.2(6) . . ?
C22 C21 C3AA 120.7(7) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 C21 121.6(4) . . ?
C23 C22 H22 119.2 . . ?
C18 C23 C24 121.7(4) . . ?
C22 C23 C18 119.8(4) . . ?
C22 C23 C24 118.5(4) . . ?
O5 C24 Eu02 60.99(19) . 4_656 ?
O5 C24 C23 119.7(3) . . ?
O6 C24 Eu02 59.6(2) . 4_656 ?
O6 C24 O5 120.6(3) . . ?
O6 C24 C23 119.7(3) . . ?
C23 C24 Eu02 179.3(3) . 4_656 ?
O7 C25 Eu01 88.1(2) . 4_646 ?
O7 C25 C19 118.0(4) . . ?
O8 C25 Eu01 37.23(19) . 4_646 ?
O8 C25 O7 124.0(4) . . ?
O8 C25 C19 117.9(4) . . ?
C19 C25 Eu01 151.1(3) . 4_646 ?
C36 C35 H35 120.1 . . ?
C36 C35 C40 119.8(3) . . ?
C40 C35 H35 120.1 . . ?
C35 C36 C37 119.9(4) . . ?
C35 C36 C42 121.1(3) . . ?
C37 C36 C42 119.0(3) . . ?
C36 C37 H37 119.5 . . ?
C38 C37 C36 121.0(4) . . ?
C38 C37 H37 119.5 . . ?
C37 C38 C39 117.9(4) . . ?
C37 C38 C43 122.0(4) . . ?
C39 C38 C43 120.1(4) . . ?
C38 C39 H39 119.0 . . ?
C40 C39 C38 122.0(4) . . ?
C40 C39 H39 119.0 . . ?
C35 C40 C41 121.4(3) . . ?
C39 C40 C35 119.2(4) . . ?
C39 C40 C41 119.3(3) . . ?
O9 C41 O10 124.5(4) . . ?
O9 C41 C40 116.9(3) . . ?
O10 C41 C40 118.6(3) . . ?
O11 C42 Eu01 58.18(19) . 4_656 ?
O11 C42 C36 119.0(3) . . ?
O12 C42 Eu01 61.9(2) . 4_656 ?
O12 C42 O11 119.9(3) . . ?
O12 C42 C36 121.1(3) . . ?
C36 C42 Eu01 174.9(3) . 4_656 ?
C44 C43 C38 122.9(6) . . ?
C44 C43 C51 119.0(7) . . ?
C48 C43 C38 119.5(5) . . ?
C49 C43 C38 123.9(6) . . ?
C49 C43 C48 115.3(7) . . ?
C51 C43 C38 118.1(5) . . ?
C43 C44 H44 119.3 . . ?
C43 C44 C45 121.5(9) . . ?
C45 C44 H44 119.3 . . ?
C44 C45 H45 118.5 . . ?
C46 C45 C44 122.9(9) . . ?
C46 C45 H45 118.5 . . ?
C45 C46 C52 117.5(7) . . ?
C45 C46 C53 123.6(6) . . ?
C47 C46 C50 118.7(7) . . ?
C47 C46 C53 117.8(6) . . ?
C50 C46 C53 122.3(6) . . ?
C53 C46 C52 118.8(5) . . ?
C46 C47 H47 119.6 . . ?
C46 C47 C48 120.8(10) . . ?
C48 C47 H47 119.6 . . ?
C43 C48 H48 119.5 . . ?
C47 C48 C43 120.9(10) . . ?
C47 C48 H48 119.5 . . ?
C43 C49 H49 118.0 . . ?
C43 C49 C50 123.9(9) . . ?
C50 C49 H49 118.0 . . ?
C46 C50 H50 121.0 . . ?
C49 C50 C46 118.1(8) . . ?
C49 C50 H50 121.0 . . ?
C43 C51 H51 120.3 . . ?
C52 C51 C43 119.4(9) . . ?
C52 C51 H51 120.3 . . ?
C46 C52 H52 120.3 . . ?
C51 C52 C46 119.3(9) . . ?
C51 C52 H52 120.3 . . ?
N3 C53 C46 122.2(5) . . ?
N3 C53 C54 109.6(5) . . ?
C54 C53 C46 128.2(5) . . ?
C53 C54 H54 127.4 . . ?
C55 C54 C53 105.2(6) . . ?
C55 C54 H54 127.4 . . ?
N4 C55 C54 106.9(5) . . ?
N4 C55 H55 126.5 . . ?
C54 C55 H55 126.5 . . ?
C0AA C1AA C21 127.6(10) . . ?
C0AA C1AA C2AA 116.2(10) . . ?
C2AA C1AA C21 115.8(10) . . ?
C1AA C0AA H0AA 118.9 . . ?
C1AA C0AA C6AA 122.1(11) . . ?
C6AA C0AA H0AA 118.9 . . ?
C0AA C6AA H6AA 118.9 . . ?
C8AA C6AA C0AA 122.1(11) . . ?
C8AA C6AA H6AA 118.9 . . ?
C4AA C3AA C21 116.0(12) . . ?
C2AB C3AA C21 127.1(12) . . ?
C2AB C3AA C4AA 116.4(13) . . ?
C3AA C4AA H4AA 119.5 . . ?
C3AA C4AA C7AA 121.0(13) . . ?
C7AA C4AA H4AA 119.5 . . ?
C6AA C8AA C0BA 123.8(12) . . ?
C6AA C8AA C5AA 118.3(11) . . ?
C5AA C8AA C0BA 117.9(13) . . ?
C4AA C7AA H7AA 117.4 . . ?
C4BA C7AA C4AA 125.2(14) . . ?
C4BA C7AA H7AA 117.4 . . ?
C0BA N9AA H9AA 124.7 . . ?
C0BA N9AA N2BA 110.5(14) . . ?
N2BA N9AA H9AA 124.7 . . ?
N9AA C0BA C8AA 120.7(14) . . ?
N9AA C0BA C1BA 107.0(14) . . ?
C1BA C0BA C8AA 130.9(14) . . ?
C0BA C1BA H1BA 126.0 . . ?
C3BA C1BA C0BA 107.9(17) . . ?
C3BA C1BA H1BA 126.0 . . ?
C3BA N2BA N9AA 102.2(14) . . ?
C1BA C3BA N2BA 108.7(16) . . ?
C1BA C3BA H3BA 125.7 . . ?
N2BA C3BA H3BA 125.7 . . ?
C7AA C4BA C0BB 122.8(16) . . ?
C7AA C4BA C5AB 110.4(14) . . ?
C5AB C4BA C0BB 124.4(15) . . ?
N9AB N2BB C3BB 96.0(15) . . ?
N2BB C3BB H3BB 119.2 . . ?
N2BB C3BB C1BB 121.6(16) . . ?
C1BB C3BB H3BB 119.2 . . ?
N2BB N9AB H9AB 123.5 . . ?
N2BB N9AB C0BB 113.0(15) . . ?
C0BB N9AB H9AB 123.5 . . ?
C3BB C1BB H1BB 131.4 . . ?
C0BB C1BB C3BB 97.3(18) . . ?
C0BB C1BB H1BB 131.4 . . ?
C4BA C0BB N9AB 117.1(15) . . ?
C1BB C0BB C4BA 131.9(19) . . ?
C1BB C0BB N9AB 110.2(15) . . ?
C8AA C5AA H5AA 119.8 . . ?
C8AA C5AA C2AA 120.4(13) . . ?
C2AA C5AA H5AA 119.8 . . ?
C1AA C2AA H2AA 119.8 . . ?
C5AA C2AA C1AA 120.4(13) . . ?
C5AA C2AA H2AA 119.8 . . ?
C3AA C2AB H2AB 121.6 . . ?
C3AA C2AB C5AB 116.8(15) . . ?
C5AB C2AB H2AB 121.6 . . ?
C4BA C5AB C2AB 126.8(15) . . ?
C4BA C5AB H5AB 116.6 . . ?
C2AB C5AB H5AB 116.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.000 -0.254 0.250 350 37 ' '
2 0.500 0.246 0.250 350 37 ' '
3 0.000 0.253 0.750 350 37 ' '
4 0.500 -0.246 0.750 350 37 ' '
5 0.289 0.171 0.593 15 2 ' '
6 0.711 0.171 0.907 15 2 ' '
7 0.789 0.328 0.093 15 2 ' '
8 0.211 0.328 0.407 15 2 ' '
9 0.789 0.671 0.593 15 2 ' '
10 0.211 0.671 0.907 15 2 ' '
11 0.289 0.828 0.093 15 2 ' '
12 0.711 0.828 0.407 15 2 ' '
_platon_squeeze_details          
;
;
# start Validation Reply Form
_vrf_PLAT306_1                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O16 Check 
RESPONSE: This problem is due to the huge disorder of the water molecules. 
The water molecules have been assigned to isolated residual peaks, nevertheless
hydrogen atoms can not be assigned.
;
_vrf_PLAT910_1                   
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)          15 Note  
RESPONSE:  Theta min = 2.52 deg. The theta value of the missing reflections 
are less than 2.52 deg. Therefore reflections were excluded.

;
_vrf_PLAT990_1                   
;
PROBLEM: Deprecated RES file style based SQUEEZE job ....          ! Note 
RESPONSE: This problem is due to the huge disorder of the water molecules,no 
satisfactory disorder model could be achieved, and therefore the SQUEEZE program
implemented in PLATON was used to remove these electron densities.
;
# end Validation Reply Form

