# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_140514c_0m_sq_s
_database_code_depnum_ccdc_archive 'CCDC 1476653'
_audit_update_record             
;
2016-04-26 deposited with the CCDC.
2016-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H36 Eu2 N6 O15'
_chemical_formula_weight         1456.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

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

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

_cell_length_a                   13.742(6)
_cell_length_b                   10.981(5)
_cell_length_c                   23.785(10)
_cell_angle_alpha                90
_cell_angle_beta                 103.153(6)
_cell_angle_gamma                90
_cell_volume                     3495(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5099
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      26.08

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.842
_shelx_estimated_absorpt_T_min   0.526
_shelx_estimated_absorpt_T_max   0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23632
_diffrn_reflns_av_unetI/netI     0.0628
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.758
_diffrn_reflns_theta_max         28.244
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8593
_reflns_number_gt                6724
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0367P)²+5.3872P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8593
_refine_ls_number_parameters     402
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0436
_refine_ls_wR_factor_ref         0.0968
_refine_ls_wR_factor_gt          0.0908
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.4054(3) 0.5779(4) 1.02613(18) 0.0256(9) Uani 1 1 d . . . . .
H1 H 0.4747 0.5925 1.0298 0.031 Uiso 1 1 calc R U . . .
C2 C 0.3771(3) 0.4677(4) 1.04732(19) 0.0271(9) Uani 1 1 d . . . . .
H2 H 0.4256 0.4090 1.0645 0.033 Uiso 1 1 calc R U . . .
C3 C 0.2770(3) 0.4470(4) 1.04245(18) 0.0249(9) Uani 1 1 d . . . . .
H3 H 0.2553 0.3735 1.0568 0.030 Uiso 1 1 calc R U . . .
C4 C 0.2068(3) 0.5342(3) 1.01631(17) 0.0207(8) Uani 1 1 d . . . . .
C5 C 0.0992(3) 0.5152(4) 1.00796(17) 0.0200(8) Uani 1 1 d . . . . .
C6 C 0.0309(3) 0.6026(4) 0.97925(17) 0.0228(9) Uani 1 1 d . . . . .
C7 C 0.0679(3) 0.7133(4) 0.95680(18) 0.0249(9) Uani 1 1 d . . . . .
C8 C 0.0026(3) 0.8020(4) 0.9267(2) 0.0341(11) Uani 1 1 d . . . . .
H8 H -0.0676 0.7931 0.9214 0.041 Uiso 1 1 calc R U . . .
C9 C 0.0424(3) 0.9021(4) 0.9051(2) 0.0364(11) Uani 1 1 d . . . . .
H9 H 0.0001 0.9636 0.8845 0.044 Uiso 1 1 calc R U . . .
C10 C 0.1465(3) 0.9114(4) 0.91391(19) 0.0311(10) Uani 1 1 d . . . . .
H10 H 0.1730 0.9800 0.8982 0.037 Uiso 1 1 calc R U . . .
C11 C 0.2419(3) 0.6413(3) 0.99532(16) 0.0209(8) Uani 1 1 d . . . . .
C12 C 0.1714(3) 0.7315(3) 0.96453(17) 0.0211(8) Uani 1 1 d . . . . .
C13 C 0.3918(3) 0.7571(4) 0.85909(18) 0.0253(9) Uani 1 1 d . . . . .
C14 C 0.3995(3) 0.6953(4) 0.80405(18) 0.0276(10) Uani 1 1 d . . . . .
C15 C 0.3739(5) 0.7546(5) 0.7517(2) 0.0498(15) Uani 1 1 d . . . . .
H15 H 0.3486 0.8353 0.7501 0.060 Uiso 1 1 calc R U . . .
C16 C 0.3848(5) 0.6983(5) 0.7015(2) 0.0533(16) Uani 1 1 d . . . . .
H16 H 0.3700 0.7410 0.6659 0.064 Uiso 1 1 calc R U . . .
C17 C 0.4174(4) 0.5790(4) 0.70408(19) 0.0332(10) Uani 1 1 d . . . . .
C18 C 0.4445(4) 0.5178(4) 0.75577(19) 0.0310(10) Uani 1 1 d . . . . .
H18 H 0.4688 0.4366 0.7571 0.037 Uiso 1 1 calc R U . . .
C19 C 0.4358(4) 0.5763(4) 0.80554(19) 0.0290(10) Uani 1 1 d . . . . .
H19 H 0.4549 0.5351 0.8415 0.035 Uiso 1 1 calc R U . . .
C20 C 0.3563(3) 0.4366(4) 0.63011(18) 0.0287(10) Uani 1 1 d . . . . .
C21 C 0.2566(4) 0.4518(4) 0.6322(2) 0.0338(11) Uani 1 1 d . . . . .
H21 H 0.2372 0.5200 0.6517 0.041 Uiso 1 1 calc R U . . .
C22 C 0.1861(4) 0.3679(4) 0.60607(19) 0.0351(11) Uani 1 1 d . . . . .
H22 H 0.1179 0.3804 0.6065 0.042 Uiso 1 1 calc R U . . .
C23 C 0.2135(3) 0.2647(4) 0.57894(17) 0.0239(9) Uani 1 1 d . . . . .
C24 C 0.3146(3) 0.2515(4) 0.57722(19) 0.0291(10) Uani 1 1 d . . . . .
H24 H 0.3345 0.1829 0.5583 0.035 Uiso 1 1 calc R U . . .
C25 C 0.3854(4) 0.3361(4) 0.60248(19) 0.0290(10) Uani 1 1 d . . . . .
H25 H 0.4534 0.3258 0.6010 0.035 Uiso 1 1 calc R U . . .
C26 C 0.1368(3) 0.1719(4) 0.55311(17) 0.0238(9) Uani 1 1 d . . . . .
C27 C 0.6151(3) 1.0064(4) 0.92525(17) 0.0240(9) Uani 1 1 d . . . . .
C28 C 0.6537(3) 0.9403(4) 0.88021(19) 0.0290(10) Uani 1 1 d . . . . .
C29 C 0.6260(5) 0.8243(5) 0.8659(3) 0.0554(16) Uani 1 1 d . . . . .
H29 H 0.5835 0.7824 0.8858 0.067 Uiso 1 1 calc R U . . .
C30 C 0.6602(6) 0.7651(6) 0.8211(3) 0.077(2) Uani 1 1 d . . . . .
H30 H 0.6396 0.6841 0.8105 0.093 Uiso 1 1 calc R U . . .
C31 C 0.7218(5) 0.8232(5) 0.7939(3) 0.0520(16) Uani 1 1 d . . . . .
C32 C 0.7620(5) 0.9334(7) 0.8143(3) 0.070(2) Uani 1 1 d . . . . .
H32 H 0.8117 0.9716 0.7984 0.084 Uiso 1 1 calc R U . . .
C33 C 0.7283(5) 0.9865(7) 0.8581(3) 0.075(2) Uani 1 1 d . . . . .
H33 H 0.7590 1.0602 0.8740 0.090 Uiso 1 1 calc R U . . .
Eu1 Eu 0.40336(2) 0.86813(2) 0.96793(2) 0.02039(7) Uani 1 1 d . . . . .
N1 N 0.3410(3) 0.6639(3) 1.00111(14) 0.0217(7) Uani 1 1 d . . . . .
N2 N 0.2103(3) 0.8302(3) 0.94295(14) 0.0232(7) Uani 1 1 d . . . . .
N3 N 0.0681(3) 0.4125(3) 1.02939(14) 0.0234(7) Uani 1 1 d . . . . .
O1 O 0.4289(3) 0.7038(3) 0.90619(12) 0.0324(7) Uani 1 1 d . . . . .
O2 O 0.3511(2) 0.8601(3) 0.85869(12) 0.0315(7) Uani 1 1 d . . . . .
O3 O 0.4300(2) 0.5205(3) 0.65362(13) 0.0361(8) Uani 1 1 d . . . . .
O4 O 0.0481(2) 0.2082(3) 0.53303(12) 0.0270(7) Uani 1 1 d . . . . .
O5 O 0.1664(2) 0.0630(2) 0.55350(13) 0.0258(6) Uani 1 1 d . . . . .
O6 O 0.5394(2) 0.9666(3) 0.94219(12) 0.0287(7) Uani 1 1 d . . . . .
O7 O 0.6610(2) 1.1001(3) 0.94672(12) 0.0304(7) Uani 1 1 d . . . . .
O8 O 0.7500 0.7576(5) 0.7500 0.069(2) Uani 1 2 d S T P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
C1 N1 1.337(5) . ?
C1 C2 1.400(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.373(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.400(6) . ?
C3 H3 0.9500 . ?
C4 C11 1.405(5) . ?
C4 C5 1.461(5) . ?
C5 N3 1.346(5) . ?
C5 C6 1.407(6) . ?
C6 N3 1.340(5) 3_567 ?
C6 C7 1.465(5) . ?
C7 C8 1.404(6) . ?
C7 C12 1.406(6) . ?
C8 C9 1.380(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.401(6) . ?
C9 H9 0.9500 . ?
C10 N2 1.329(6) . ?
C10 H10 0.9500 . ?
C11 N1 1.360(5) . ?
C11 C12 1.461(6) . ?
C12 N2 1.359(5) . ?
C13 O2 1.261(5) . ?
C13 O1 1.264(5) . ?
C13 C14 1.499(6) . ?
C13 Eu1 2.833(4) . ?
C14 C15 1.377(6) . ?
C14 C19 1.397(6) . ?
C15 C16 1.382(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.376(6) . ?
C17 O3 1.406(5) . ?
C18 C19 1.376(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.389(6) . ?
C20 O3 1.390(6) . ?
C20 C21 1.392(7) . ?
C21 C22 1.378(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.397(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.407(6) . ?
C23 C26 1.495(6) . ?
C24 C25 1.380(6) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 O5 1.262(5) . ?
C26 O4 1.267(5) . ?
C27 O7 1.253(5) . ?
C27 O6 1.276(5) . ?
C27 C28 1.488(6) . ?
C27 Eu1 2.952(4) 3_677 ?
C28 C29 1.352(7) . ?
C28 C33 1.353(7) . ?
C29 C30 1.415(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.338(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.373(9) . ?
C31 O8 1.394(5) . ?
C32 C33 1.364(8) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
Eu1 O5 2.353(3) 2_566 ?
Eu1 O6 2.358(3) . ?
Eu1 O4 2.378(3) 4_666 ?
Eu1 O1 2.403(3) . ?
Eu1 O7 2.417(3) 3_677 ?
Eu1 O2 2.535(3) . ?
Eu1 N1 2.587(3) . ?
Eu1 N2 2.617(4) . ?
Eu1 O6 2.778(3) 3_677 ?
Eu1 C27 2.952(4) 3_677 ?
Eu1 Eu1 3.9907(12) 3_677 ?
N3 C6 1.340(5) 3_567 ?
O4 Eu1 2.378(3) 4_565 ?
O5 Eu1 2.353(3) 2_546 ?
O6 Eu1 2.778(3) 3_677 ?
O7 Eu1 2.417(3) 3_677 ?
O8 C31 1.395(6) 2_656 ?

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
N1 C1 C2 124.1(4) . . ?
N1 C1 H1 117.9 . . ?
C2 C1 H1 117.9 . . ?
C3 C2 C1 117.9(4) . . ?
C3 C2 H2 121.0 . . ?
C1 C2 H2 121.0 . . ?
C2 C3 C4 120.0(4) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C11 118.2(4) . . ?
C3 C4 C5 122.4(4) . . ?
C11 C4 C5 119.3(4) . . ?
N3 C5 C6 121.4(4) . . ?
N3 C5 C4 117.8(4) . . ?
C6 C5 C4 120.8(3) . . ?
N3 C6 C5 122.1(4) 3_567 . ?
N3 C6 C7 118.2(4) 3_567 . ?
C5 C6 C7 119.6(4) . . ?
C8 C7 C12 118.6(4) . . ?
C8 C7 C6 121.7(4) . . ?
C12 C7 C6 119.7(4) . . ?
C9 C8 C7 118.8(4) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C8 C9 C10 118.7(4) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
N2 C10 C9 124.0(4) . . ?
N2 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
N1 C11 C4 122.3(4) . . ?
N1 C11 C12 117.5(3) . . ?
C4 C11 C12 120.2(3) . . ?
N2 C12 C7 122.4(4) . . ?
N2 C12 C11 117.2(3) . . ?
C7 C12 C11 120.3(3) . . ?
O2 C13 O1 120.7(4) . . ?
O2 C13 C14 121.2(4) . . ?
O1 C13 C14 118.0(4) . . ?
O2 C13 Eu1 63.5(2) . . ?
O1 C13 Eu1 57.5(2) . . ?
C14 C13 Eu1 172.8(3) . . ?
C15 C14 C19 118.8(4) . . ?
C15 C14 C13 121.4(4) . . ?
C19 C14 C13 119.8(4) . . ?
C14 C15 C16 120.9(5) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 119.0(5) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C18 C17 C16 121.4(4) . . ?
C18 C17 O3 118.6(4) . . ?
C16 C17 O3 119.9(4) . . ?
C19 C18 C17 118.8(4) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C18 C19 C14 121.0(4) . . ?
C18 C19 H19 119.5 . . ?
C14 C19 H19 119.5 . . ?
C25 C20 O3 117.0(4) . . ?
C25 C20 C21 120.3(4) . . ?
O3 C20 C21 122.7(4) . . ?
C22 C21 C20 120.0(4) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 121.0(4) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C22 C23 C24 117.9(4) . . ?
C22 C23 C26 120.3(4) . . ?
C24 C23 C26 121.8(4) . . ?
C25 C24 C23 121.4(4) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C20 119.3(4) . . ?
C24 C25 H25 120.3 . . ?
C20 C25 H25 120.3 . . ?
O5 C26 O4 125.5(4) . . ?
O5 C26 C23 116.6(4) . . ?
O4 C26 C23 117.9(3) . . ?
O7 C27 O6 121.6(4) . . ?
O7 C27 C28 117.8(4) . . ?
O6 C27 C28 120.7(4) . . ?
O7 C27 Eu1 53.1(2) . 3_677 ?
O6 C27 Eu1 69.6(2) . 3_677 ?
C28 C27 Eu1 164.2(3) . 3_677 ?
C29 C28 C33 116.8(5) . . ?
C29 C28 C27 121.1(4) . . ?
C33 C28 C27 121.5(4) . . ?
C28 C29 C30 120.0(5) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 120.0(6) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 119.8(5) . . ?
C30 C31 O8 115.5(5) . . ?
C32 C31 O8 124.2(5) . . ?
C33 C32 C31 117.9(6) . . ?
C33 C32 H32 121.0 . . ?
C31 C32 H32 121.0 . . ?
C28 C33 C32 123.7(6) . . ?
C28 C33 H33 118.1 . . ?
C32 C33 H33 118.1 . . ?
O5 Eu1 O6 80.47(11) 2_566 . ?
O5 Eu1 O4 134.48(10) 2_566 4_666 ?
O6 Eu1 O4 74.66(11) . 4_666 ?
O5 Eu1 O1 131.29(10) 2_566 . ?
O6 Eu1 O1 87.18(11) . . ?
O4 Eu1 O1 85.20(11) 4_666 . ?
O5 Eu1 O7 80.92(11) 2_566 3_677 ?
O6 Eu1 O7 127.96(10) . 3_677 ?
O4 Eu1 O7 85.15(11) 4_666 3_677 ?
O1 Eu1 O7 138.94(10) . 3_677 ?
O5 Eu1 O2 78.65(10) 2_566 . ?
O6 Eu1 O2 78.83(10) . . ?
O4 Eu1 O2 130.92(10) 4_666 . ?
O1 Eu1 O2 52.70(10) . . ?
O7 Eu1 O2 142.53(11) 3_677 . ?
O5 Eu1 N1 135.06(11) 2_566 . ?
O6 Eu1 N1 144.46(11) . . ?
O4 Eu1 N1 77.40(10) 4_666 . ?
O1 Eu1 N1 68.89(11) . . ?
O7 Eu1 N1 70.06(10) 3_677 . ?
O2 Eu1 N1 104.25(10) . . ?
O5 Eu1 N2 75.75(10) 2_566 . ?
O6 Eu1 N2 146.81(11) . . ?
O4 Eu1 N2 138.27(10) 4_666 . ?
O1 Eu1 N2 91.34(11) . . ?
O7 Eu1 N2 70.61(11) 3_677 . ?
O2 Eu1 N2 74.08(11) . . ?
N1 Eu1 N2 62.76(11) . . ?
O5 Eu1 O6 66.59(10) 2_566 3_677 ?
O6 Eu1 O6 78.33(10) . 3_677 ?
O4 Eu1 O6 71.37(10) 4_666 3_677 ?
O1 Eu1 O6 154.94(10) . 3_677 ?
O7 Eu1 O6 49.69(9) 3_677 3_677 ?
O2 Eu1 O6 140.91(9) . 3_677 ?
N1 Eu1 O6 112.77(10) . 3_677 ?
N2 Eu1 O6 111.95(10) . 3_677 ?
O5 Eu1 C13 104.96(11) 2_566 . ?
O6 Eu1 C13 80.96(11) . . ?
O4 Eu1 C13 107.93(12) 4_666 . ?
O1 Eu1 C13 26.33(11) . . ?
O7 Eu1 C13 150.99(11) 3_677 . ?
O2 Eu1 C13 26.42(11) . . ?
N1 Eu1 C13 87.25(11) . . ?
N2 Eu1 C13 83.17(12) . . ?
O6 Eu1 C13 158.66(10) 3_677 . ?
O5 Eu1 C27 69.60(11) 2_566 3_677 ?
O6 Eu1 C27 103.77(11) . 3_677 ?
O4 Eu1 C27 80.04(11) 4_666 3_677 ?
O1 Eu1 C27 158.44(11) . 3_677 ?
O7 Eu1 C27 24.50(10) 3_677 3_677 ?
O2 Eu1 C27 147.02(11) . 3_677 ?
N1 Eu1 C27 92.45(11) . 3_677 ?
N2 Eu1 C27 89.33(11) . 3_677 ?
O6 Eu1 C27 25.51(9) 3_677 3_677 ?
C13 Eu1 C27 171.71(12) . 3_677 ?
O5 Eu1 Eu1 68.01(7) 2_566 3_677 ?
O6 Eu1 Eu1 42.98(7) . 3_677 ?
O4 Eu1 Eu1 67.75(7) 4_666 3_677 ?
O1 Eu1 Eu1 126.98(8) . 3_677 ?
O7 Eu1 Eu1 85.01(7) 3_677 3_677 ?
O2 Eu1 Eu1 115.20(7) . 3_677 ?
N1 Eu1 Eu1 138.61(8) . 3_677 ?
N2 Eu1 Eu1 138.99(8) . 3_677 ?
O6 Eu1 Eu1 35.35(6) 3_677 3_677 ?
C13 Eu1 Eu1 123.75(9) . 3_677 ?
C27 Eu1 Eu1 60.81(8) 3_677 3_677 ?
C1 N1 C11 117.5(3) . . ?
C1 N1 Eu1 121.1(3) . . ?
C11 N1 Eu1 121.4(3) . . ?
C10 N2 C12 117.5(4) . . ?
C10 N2 Eu1 121.7(3) . . ?
C12 N2 Eu1 120.4(3) . . ?
C6 N3 C5 116.4(4) 3_567 . ?
C13 O1 Eu1 96.2(3) . . ?
C13 O2 Eu1 90.1(2) . . ?
C20 O3 C17 115.2(4) . . ?
C26 O4 Eu1 136.4(3) . 4_565 ?
C26 O5 Eu1 138.2(3) . 2_546 ?
C27 O6 Eu1 172.4(3) . . ?
C27 O6 Eu1 84.9(2) . 3_677 ?
Eu1 O6 Eu1 101.67(10) . 3_677 ?
C27 O7 Eu1 102.4(3) . 3_677 ?
C31 O8 C31 117.8(5) . 2_656 ?

_refine_diff_density_max         1.750
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.121



####################################################################### 
# 
# 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_sq_s
_database_code_depnum_ccdc_archive 'CCDC 1476658'
_audit_update_record             
;
2016-04-26 deposited with the CCDC.
2016-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H36 Eu2 N6 O15'
_chemical_formula_weight         1456.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

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

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

_cell_length_a                   13.502(4)
_cell_length_b                   26.611(8)
_cell_length_c                   18.609(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6686(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4289
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      22.84

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_F_000             2880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.926
_shelx_estimated_absorpt_T_min   0.552
_shelx_estimated_absorpt_T_max   0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.62
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49041
_diffrn_reflns_av_unetI/netI     0.1016
_diffrn_reflns_av_R_equivalents  0.1158
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.691
_diffrn_reflns_theta_max         30.262
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9616
_reflns_number_gt                5692
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0474P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9616
_refine_ls_number_parameters     445
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0491
_refine_ls_wR_factor_ref         0.1208
_refine_ls_wR_factor_gt          0.1025
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

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
C1 C 1.1021(3) 0.49137(15) 0.0587(2) 0.0255(10) Uani 1 1 d . . . . .
H1 H 1.0330 0.4887 0.0677 0.031 Uiso 1 1 calc R U . . .
C2 C 1.1343(3) 0.53226(15) 0.0207(2) 0.0241(10) Uani 1 1 d . . . . .
H2 H 1.0889 0.5572 0.0048 0.029 Uiso 1 1 calc R U . . .
C3 C 1.2341(3) 0.53662(14) 0.0058(2) 0.0195(9) Uani 1 1 d . . . . .
H3 H 1.2588 0.5646 -0.0204 0.023 Uiso 1 1 calc R U . . .
C4 C 1.2976(3) 0.49912(14) 0.0300(2) 0.0189(9) Uani 1 1 d . . . . .
C5 C 1.4032(3) 0.50036(14) 0.01474(19) 0.0153(8) Uani 1 1 d . . . . .
C6 C 1.4650(3) 0.46206(14) 0.0405(2) 0.0181(9) Uani 1 1 d . . . . .
C7 C 1.4246(3) 0.42185(15) 0.0847(2) 0.0217(10) Uani 1 1 d . . . . .
C8 C 1.4845(3) 0.38514(16) 0.1155(2) 0.0320(11) Uani 1 1 d . . . . .
H8 H 1.5541 0.3860 0.1082 0.038 Uiso 1 1 calc R U . . .
C9 C 1.4432(4) 0.3480(2) 0.1562(3) 0.0483(15) Uani 1 1 d . . . . .
H9 H 1.4831 0.3224 0.1771 0.058 Uiso 1 1 calc R U . . .
C10 C 1.3399(3) 0.34844(16) 0.1664(2) 0.0308(11) Uani 1 1 d . . . . .
H10 H 1.3109 0.3227 0.1948 0.037 Uiso 1 1 calc R U . . .
C11 C 1.3225(3) 0.42014(14) 0.0979(2) 0.0157(9) Uani 1 1 d . . . . .
C12 C 1.2590(3) 0.45885(13) 0.06946(19) 0.0164(9) Uani 1 1 d . . . . .
C13 C 0.8837(3) 0.45233(14) 0.1990(2) 0.0192(9) Uani 1 1 d . . . . .
C14 C 0.8186(3) 0.49469(14) 0.1750(2) 0.0209(10) Uani 1 1 d . . . . .
C15 C 0.7164(3) 0.49169(15) 0.1861(2) 0.0256(11) Uani 1 1 d . . . . .
H15 H 0.6894 0.4634 0.2104 0.031 Uiso 1 1 calc R U . . .
C16 C 0.6547(4) 0.52884(17) 0.1625(2) 0.0332(12) Uani 1 1 d . . . . .
H16 H 0.5852 0.5263 0.1697 0.040 Uiso 1 1 calc R U . . .
C17 C 0.6943(4) 0.56980(16) 0.1282(3) 0.0337(12) Uani 1 1 d . . . . .
C18 C 0.7937(4) 0.57462(16) 0.1168(2) 0.0379(14) Uani 1 1 d . . . . .
H18 H 0.8193 0.6035 0.0932 0.046 Uiso 1 1 calc R U . . .
C19 C 0.8572(4) 0.53664(15) 0.1403(2) 0.0298(11) Uani 1 1 d . . . . .
H19 H 0.9265 0.5394 0.1327 0.036 Uiso 1 1 calc R U . . .
C20 C 0.6295(4) 0.65343(15) 0.1296(2) 0.0297(11) Uani 1 1 d . . . . .
C21 C 0.6657(4) 0.66354(16) 0.1970(2) 0.0364(13) Uani 1 1 d . . . . .
H21 H 0.6960 0.6377 0.2246 0.044 Uiso 1 1 calc R U . . .
C22 C 0.6575(3) 0.71203(15) 0.2245(2) 0.0307(11) Uani 1 1 d . . . . .
H22 H 0.6815 0.7192 0.2714 0.037 Uiso 1 1 calc R U . . .
C23 C 0.6146(3) 0.74999(14) 0.1840(2) 0.0190(9) Uani 1 1 d . . . . .
C24 C 0.5808(4) 0.73856(16) 0.1160(3) 0.0400(13) Uani 1 1 d . . . . .
H24 H 0.5521 0.7643 0.0874 0.048 Uiso 1 1 calc R U . . .
C25 C 0.5879(4) 0.69067(17) 0.0889(3) 0.0454(14) Uani 1 1 d . . . . .
H25 H 0.5639 0.6834 0.0420 0.054 Uiso 1 1 calc R U . . .
C26 C 0.6043(3) 0.80156(15) 0.2151(2) 0.0199(10) Uani 1 1 d . . . . .
C27 C 1.0624(4) 0.34261(16) 0.0166(2) 0.0296(12) Uani 1 1 d . . . . .
C28 C 1.0693(6) 0.3180(3) -0.0581(5) 0.018(2) Uani 0.464(4) 1 d . U P A 1
C29 C 1.1281(7) 0.2761(3) -0.0738(5) 0.019(2) Uani 0.464(4) 1 d . U P A 1
H29 H 1.1725 0.2628 -0.0391 0.023 Uiso 0.464(4) 1 calc R U P A 1
C30 C 1.1196(8) 0.2541(4) -0.1421(5) 0.028(2) Uani 0.464(4) 1 d . U P A 1
H30 H 1.1531 0.2237 -0.1532 0.033 Uiso 0.464(4) 1 calc R U P A 1
C31 C 1.0628(8) 0.2773(4) -0.1914(5) 0.029(2) Uani 0.464(4) 1 d . U P A 1
C32 C 1.0051(8) 0.3204(4) -0.1775(5) 0.035(3) Uani 0.464(4) 1 d . U P A 1
H32 H 0.9633 0.3345 -0.2132 0.042 Uiso 0.464(4) 1 calc R U P A 1
C33 C 1.0122(7) 0.3412(3) -0.1092(5) 0.023(2) Uani 0.464(4) 1 d . U P A 1
H33 H 0.9776 0.3713 -0.0980 0.028 Uiso 0.464(4) 1 calc R U P A 1
C28' C 1.0273(4) 0.32303(16) -0.0540(2) 0.027(2) Uani 0.536(4) 1 d G . P A 2
C29' C 1.0909(4) 0.2883(2) -0.0853(3) 0.030(2) Uani 0.536(4) 1 d G . P A 2
H29' H 1.1515 0.2799 -0.0624 0.036 Uiso 0.536(4) 1 calc R U P A 2
C30' C 1.0657(5) 0.2657(2) -0.1502(3) 0.041(3) Uani 0.536(4) 1 d G . P A 2
H30' H 1.1092 0.2420 -0.1716 0.049 Uiso 0.536(4) 1 calc R U P A 2
C31' C 0.9770(6) 0.2780(2) -0.1838(3) 0.053(3) Uani 0.536(4) 1 d G . P A 2
C32' C 0.9134(5) 0.3128(2) -0.1525(3) 0.069(4) Uani 0.536(4) 1 d G . P A 2
H32' H 0.8528 0.3211 -0.1755 0.083 Uiso 0.536(4) 1 calc R U P A 2
C33' C 0.9386(4) 0.3353(2) -0.0876(3) 0.063(4) Uani 0.536(4) 1 d G . P A 2
H33' H 0.8951 0.3590 -0.0662 0.076 Uiso 0.536(4) 1 calc R U P A 2
Eu1 Eu 1.08660(2) 0.38021(2) 0.15581(2) 0.01480(4) Uani 1 1 d . . . . .
N1 N 1.1601(2) 0.45505(12) 0.08408(17) 0.0181(8) Uani 1 1 d . . . . .
N2 N 1.2806(2) 0.38348(12) 0.13785(17) 0.0202(8) Uani 1 1 d . . . . .
N3 N 1.4372(2) 0.53833(12) -0.02580(17) 0.0193(8) Uani 1 1 d . . . . .
O1 O 0.9666(2) 0.44656(10) 0.16894(15) 0.0242(7) Uani 1 1 d . . . . .
O2 O 0.8499(2) 0.42458(10) 0.24786(14) 0.0214(7) Uani 1 1 d . . . . .
O3 O 0.6291(3) 0.60573(11) 0.10002(18) 0.0491(10) Uani 1 1 d . . . . .
O4 O 0.5540(2) 0.83352(10) 0.17981(15) 0.0242(7) Uani 1 1 d . . . . .
O5 O 0.6432(2) 0.81101(9) 0.27457(15) 0.0223(7) Uani 1 1 d . . . . .
O6 O 1.1296(2) 0.32645(11) 0.05589(16) 0.0322(8) Uani 1 1 d . . . . .
O7 O 1.0047(2) 0.37743(11) 0.03737(16) 0.0318(8) Uani 1 1 d . . . . .
O8 O 1.0000 0.2509(3) -0.2500 0.172(4) Uani 1 2 d S TU P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
C1 N1 1.330(5) . ?
C1 C2 1.369(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.380(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(5) . ?
C3 H3 0.9500 . ?
C4 C12 1.399(5) . ?
C4 C5 1.454(5) . ?
C5 N3 1.342(5) . ?
C5 C6 1.402(5) . ?
C6 N3 1.349(5) 5_865 ?
C6 C7 1.456(5) . ?
C7 C8 1.392(6) . ?
C7 C11 1.400(5) . ?
C8 C9 1.365(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.408(6) . ?
C9 H9 0.9500 . ?
C10 N2 1.339(5) . ?
C10 H10 0.9500 . ?
C11 N2 1.351(5) . ?
C11 C12 1.441(5) . ?
C12 N1 1.367(5) . ?
C13 O2 1.257(5) . ?
C13 O1 1.261(5) . ?
C13 C14 1.498(5) . ?
C14 C19 1.391(6) . ?
C14 C15 1.398(6) . ?
C15 C16 1.365(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.371(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.365(7) . ?
C17 O3 1.402(5) . ?
C18 C19 1.396(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.368(6) . ?
C20 C21 1.373(6) . ?
C20 O3 1.384(5) . ?
C21 C22 1.393(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.388(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(6) . ?
C23 C26 1.496(5) . ?
C24 C25 1.374(6) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 O5 1.251(5) . ?
C26 O4 1.271(5) . ?
C26 Eu1 3.195(4) 6_566 ?
C27 O6 1.242(5) . ?
C27 O7 1.270(5) . ?
C27 C28' 1.492(6) . ?
C27 C28 1.539(10) . ?
C27 Eu1 2.796(4) . ?
C28 C33 1.370(12) . ?
C28 C29 1.401(12) . ?
C29 C30 1.403(12) . ?
C29 H29 0.9500 . ?
C30 C31 1.344(14) . ?
C30 H30 0.9500 . ?
C31 C32 1.411(14) . ?
C31 O8 1.550(10) . ?
C32 C33 1.389(12) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C28' C29' 1.3900 . ?
C28' C33' 1.3900 . ?
C29' C30' 1.3900 . ?
C29' H29' 0.9500 . ?
C30' C31' 1.3900 . ?
C30' H30' 0.9500 . ?
C31' C32' 1.3900 . ?
C31' O8 1.461(6) . ?
C32' C33' 1.3900 . ?
C32' H32' 0.9500 . ?
C33' H33' 0.9500 . ?
Eu1 O2 2.312(3) 3_755 ?
Eu1 O4 2.312(3) 8_755 ?
Eu1 O5 2.378(3) 6_656 ?
Eu1 O1 2.409(3) . ?
Eu1 O6 2.417(3) . ?
Eu1 O7 2.467(3) . ?
Eu1 N1 2.595(3) . ?
Eu1 N2 2.642(3) . ?
Eu1 C26 3.195(4) 6_656 ?
Eu1 Eu1 4.2141(11) 3_755 ?
N3 C6 1.349(5) 5_865 ?
O2 Eu1 2.312(3) 3_755 ?
O4 Eu1 2.312(3) 8_765 ?
O5 Eu1 2.378(3) 6_566 ?
O8 C31' 1.461(7) 3_754 ?
O8 C31 1.550(10) 3_754 ?

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
N1 C1 C2 125.0(4) . . ?
N1 C1 H1 117.5 . . ?
C2 C1 H1 117.5 . . ?
C1 C2 C3 118.7(4) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C2 C3 C4 118.5(4) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C12 119.3(4) . . ?
C3 C4 C5 121.7(3) . . ?
C12 C4 C5 119.0(3) . . ?
N3 C5 C6 122.4(3) . . ?
N3 C5 C4 117.5(3) . . ?
C6 C5 C4 120.0(3) . . ?
N3 C6 C5 121.3(3) 5_865 . ?
N3 C6 C7 118.4(3) 5_865 . ?
C5 C6 C7 120.3(4) . . ?
C8 C7 C11 118.5(4) . . ?
C8 C7 C6 122.1(4) . . ?
C11 C7 C6 119.5(4) . . ?
C9 C8 C7 120.0(4) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 118.2(4) . . ?
C8 C9 H9 120.9 . . ?
C10 C9 H9 120.9 . . ?
N2 C10 C9 123.1(4) . . ?
N2 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
N2 C11 C7 122.2(3) . . ?
N2 C11 C12 118.0(3) . . ?
C7 C11 C12 119.8(3) . . ?
N1 C12 C4 121.6(3) . . ?
N1 C12 C11 117.1(3) . . ?
C4 C12 C11 121.3(4) . . ?
O2 C13 O1 124.9(4) . . ?
O2 C13 C14 116.4(4) . . ?
O1 C13 C14 118.7(3) . . ?
C19 C14 C15 119.0(4) . . ?
C19 C14 C13 121.5(4) . . ?
C15 C14 C13 119.5(4) . . ?
C16 C15 C14 120.9(4) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 119.2(5) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C18 C17 C16 122.0(4) . . ?
C18 C17 O3 119.7(4) . . ?
C16 C17 O3 118.1(4) . . ?
C17 C18 C19 119.2(4) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C14 C19 C18 119.8(5) . . ?
C14 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C25 C20 C21 120.7(4) . . ?
C25 C20 O3 116.3(4) . . ?
C21 C20 O3 123.0(4) . . ?
C20 C21 C22 119.3(4) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 120.5(4) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 118.5(4) . . ?
C24 C23 C26 121.8(4) . . ?
C22 C23 C26 119.7(4) . . ?
C25 C24 C23 121.3(4) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C20 C25 C24 119.8(4) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
O5 C26 O4 123.2(4) . . ?
O5 C26 C23 119.2(3) . . ?
O4 C26 C23 117.6(4) . . ?
O5 C26 Eu1 40.03(18) . 6_566 ?
O4 C26 Eu1 84.8(2) . 6_566 ?
C23 C26 Eu1 154.0(3) . 6_566 ?
O6 C27 O7 121.4(4) . . ?
O6 C27 C28' 129.0(4) . . ?
O7 C27 C28' 109.2(4) . . ?
O6 C27 C28 109.9(5) . . ?
O7 C27 C28 128.4(5) . . ?
O6 C27 Eu1 59.6(2) . . ?
O7 C27 Eu1 61.9(2) . . ?
C28' C27 Eu1 168.2(4) . . ?
C28 C27 Eu1 169.0(4) . . ?
C33 C28 C29 122.1(8) . . ?
C33 C28 C27 113.7(7) . . ?
C29 C28 C27 124.2(7) . . ?
C28 C29 C30 118.3(9) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 H29 120.8 . . ?
C31 C30 C29 118.3(9) . . ?
C31 C30 H30 120.9 . . ?
C29 C30 H30 120.9 . . ?
C30 C31 C32 124.2(9) . . ?
C30 C31 O8 125.8(8) . . ?
C32 C31 O8 101.3(8) . . ?
C33 C32 C31 117.0(9) . . ?
C33 C32 H32 121.5 . . ?
C31 C32 H32 121.5 . . ?
C28 C33 C32 119.6(9) . . ?
C28 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C29' C28' C33' 120.0 . . ?
C29' C28' C27 113.9(4) . . ?
C33' C28' C27 126.0(4) . . ?
C30' C29' C28' 120.0 . . ?
C30' C29' H29' 120.0 . . ?
C28' C29' H29' 120.0 . . ?
C29' C30' C31' 120.0 . . ?
C29' C30' H30' 120.0 . . ?
C31' C30' H30' 120.0 . . ?
C32' C31' C30' 120.0 . . ?
C32' C31' O8 144.4(4) . . ?
C30' C31' O8 94.6(4) . . ?
C31' C32' C33' 120.0 . . ?
C31' C32' H32' 120.0 . . ?
C33' C32' H32' 120.0 . . ?
C32' C33' C28' 120.0 . . ?
C32' C33' H33' 120.0 . . ?
C28' C33' H33' 120.0 . . ?
O2 Eu1 O4 115.42(10) 3_755 8_755 ?
O2 Eu1 O5 81.59(10) 3_755 6_656 ?
O4 Eu1 O5 75.09(10) 8_755 6_656 ?
O2 Eu1 O1 78.25(10) 3_755 . ?
O4 Eu1 O1 79.76(10) 8_755 . ?
O5 Eu1 O1 136.78(9) 6_656 . ?
O2 Eu1 O6 144.08(10) 3_755 . ?
O4 Eu1 O6 91.60(10) 8_755 . ?
O5 Eu1 O6 83.31(10) 6_656 . ?
O1 Eu1 O6 132.35(10) . . ?
O2 Eu1 O7 150.98(9) 3_755 . ?
O4 Eu1 O7 77.80(10) 8_755 . ?
O5 Eu1 O7 127.42(10) 6_656 . ?
O1 Eu1 O7 79.13(10) . . ?
O6 Eu1 O7 53.31(10) . . ?
O2 Eu1 N1 82.24(10) 3_755 . ?
O4 Eu1 N1 145.66(10) 8_755 . ?
O5 Eu1 N1 138.75(10) 6_656 . ?
O1 Eu1 N1 75.31(10) . . ?
O6 Eu1 N1 88.09(10) . . ?
O7 Eu1 N1 74.61(10) . . ?
O2 Eu1 N2 73.34(10) 3_755 . ?
O4 Eu1 N2 148.88(10) 8_755 . ?
O5 Eu1 N2 77.03(10) 6_656 . ?
O1 Eu1 N2 130.95(10) . . ?
O6 Eu1 N2 71.58(10) . . ?
O7 Eu1 N2 109.40(10) . . ?
N1 Eu1 N2 62.01(10) . . ?
O2 Eu1 C27 160.83(11) 3_755 . ?
O4 Eu1 C27 83.74(12) 8_755 . ?
O5 Eu1 C27 105.38(11) 6_656 . ?
O1 Eu1 C27 106.13(12) . . ?
O6 Eu1 C27 26.30(12) . . ?
O7 Eu1 C27 27.02(12) . . ?
N1 Eu1 C27 80.95(11) . . ?
N2 Eu1 C27 90.60(12) . . ?
O2 Eu1 C26 73.96(10) 3_755 6_656 ?
O4 Eu1 C26 64.17(10) 8_755 6_656 ?
O5 Eu1 C26 19.78(10) 6_656 6_656 ?
O1 Eu1 C26 117.02(10) . 6_656 ?
O6 Eu1 C26 99.95(11) . 6_656 ?
O7 Eu1 C26 133.30(10) . 6_656 ?
N1 Eu1 C26 149.42(10) . 6_656 ?
N2 Eu1 C26 92.43(10) . 6_656 ?
C27 Eu1 C26 118.10(11) . 6_656 ?
O2 Eu1 Eu1 63.95(7) 3_755 3_755 ?
O4 Eu1 Eu1 51.95(7) 8_755 3_755 ?
O5 Eu1 Eu1 74.05(7) 6_656 3_755 ?
O1 Eu1 Eu1 62.77(7) . 3_755 ?
O6 Eu1 Eu1 140.65(8) . 3_755 ?
O7 Eu1 Eu1 119.65(8) . 3_755 ?
N1 Eu1 Eu1 129.80(7) . 3_755 ?
N2 Eu1 Eu1 130.95(7) . 3_755 ?
C27 Eu1 Eu1 134.90(10) . 3_755 ?
C26 Eu1 Eu1 54.27(7) 6_656 3_755 ?
C1 N1 C12 116.8(3) . . ?
C1 N1 Eu1 121.0(3) . . ?
C12 N1 Eu1 122.2(2) . . ?
C10 N2 C11 118.0(3) . . ?
C10 N2 Eu1 121.3(3) . . ?
C11 N2 Eu1 120.6(2) . . ?
C5 N3 C6 116.3(3) . 5_865 ?
C13 O1 Eu1 137.0(2) . . ?
C13 O2 Eu1 136.5(3) . 3_755 ?
C20 O3 C17 118.3(3) . . ?
C26 O4 Eu1 153.9(3) . 8_765 ?
C26 O5 Eu1 120.2(2) . 6_566 ?
C27 O6 Eu1 94.1(3) . . ?
C27 O7 Eu1 91.1(3) . . ?
C31' O8 C31' 120.8(9) . 3_754 ?
C31 O8 C31 126.1(9) . 3_754 ?

_refine_diff_density_max         2.477
_refine_diff_density_min         -1.592
_refine_diff_density_rms         0.164



