# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_aaa
_database_code_depnum_ccdc_archive 'CCDC 1028534'
_audit_update_record             
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C81 H97 Eu4 N7 O41'
_chemical_formula_sum            'C81 H97 Eu4 N7 O41'
_chemical_formula_weight         2432.50

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   c2/c

loop_
_symmetry_equiv_pos_as_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                   24.623(5)
_cell_length_b                   12.866(3)
_cell_length_c                   14.868(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.78(3)
_cell_angle_gamma                90.00
_cell_volume                     4677.3(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5314
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      27.46

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2424
_exptl_absorpt_coefficient_mu    2.739
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5149
_exptl_absorpt_correction_T_max  0.5572
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            22195
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         27.46
_reflns_number_total             5314
_reflns_number_gt                4753
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0492P)²+15.3927P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5314
_refine_ls_number_parameters     274
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0920
_refine_ls_wR_factor_gt          0.0902
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.012
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.672167(6) 0.797637(15) 0.466792(11) 0.02664(8) Uani 1 1 d . . .
O1 O 0.30739(12) 0.7414(3) 0.88105(19) 0.0393(7) Uani 1 1 d . . .
O2 O 0.22886(11) 0.6528(3) 0.8531(2) 0.0447(8) Uani 1 1 d . . .
O3 O 0.27461(11) 0.3550(2) 0.53957(19) 0.0380(6) Uani 1 1 d . . .
O4 O 0.20259(12) 0.4495(3) 0.5580(2) 0.0452(7) Uani 1 1 d . . .
O5 O 0.58707(13) 0.8312(3) 0.5365(3) 0.0537(9) Uani 1 1 d . A .
O6 O 0.60086(13) 0.6694(3) 0.4986(3) 0.0550(9) Uani 1 1 d . A .
C1 C 0.29780(15) 0.6273(3) 0.7567(3) 0.0335(8) Uani 1 1 d . . .
C2 C 0.26595(15) 0.5578(3) 0.7025(3) 0.0333(8) Uani 1 1 d . . .
H2 H 0.2301 0.5446 0.7132 0.040 Uiso 1 1 calc R . .
C3 C 0.28763(15) 0.5077(3) 0.6318(3) 0.0323(8) Uani 1 1 d . . .
C4 C 0.34099(15) 0.5290(3) 0.6146(3) 0.0351(9) Uani 1 1 d . . .
H4 H 0.3559 0.4928 0.5693 0.042 Uiso 1 1 calc R . .
C5 C 0.37216(15) 0.6041(3) 0.6649(3) 0.0346(8) Uani 1 1 d . . .
C6 C 0.35016(16) 0.6518(3) 0.7372(3) 0.0356(9) Uani 1 1 d . . .
H6 H 0.3708 0.7004 0.7727 0.043 Uiso 1 1 calc R . .
C7 C 0.42630(16) 0.6363(3) 0.6395(3) 0.0371(9) Uani 1 1 d . A .
C8 C 0.44156(19) 0.7409(4) 0.6431(4) 0.0536(13) Uani 1 1 d . . .
H8 H 0.4191 0.7897 0.6664 0.064 Uiso 1 1 calc R . .
C9 C 0.4903(2) 0.7726(4) 0.6121(4) 0.0562(14) Uani 1 1 d . A .
H9 H 0.5002 0.8424 0.6154 0.067 Uiso 1 1 calc R . .
C10 C 0.52377(17) 0.7021(3) 0.5769(3) 0.0388(10) Uani 1 1 d . . .
C11 C 0.51007(18) 0.5985(4) 0.5775(4) 0.0505(12) Uani 1 1 d . A .
H11 H 0.5336 0.5495 0.5573 0.061 Uiso 1 1 calc R . .
C12 C 0.46138(18) 0.5656(4) 0.6080(4) 0.0499(12) Uani 1 1 d . . .
H12 H 0.4526 0.4953 0.6070 0.060 Uiso 1 1 calc R A .
C13 C 0.27629(15) 0.6777(3) 0.8373(3) 0.0334(8) Uani 1 1 d . . .
C14 C 0.25266(16) 0.4324(3) 0.5732(3) 0.0334(8) Uani 1 1 d . . .
C15 C 0.57362(16) 0.7359(4) 0.5347(3) 0.0402(10) Uani 1 1 d . A .
O9 O 0.6254(2) 0.7357(5) 0.3230(3) 0.0858(13) Uani 0.50 1 d PDU A 1
N1 N 0.6103(5) 0.6551(11) 0.1844(9) 0.091(3) Uani 0.50 1 d PDU A 1
C16 C 0.6458(7) 0.6958(11) 0.2531(9) 0.082(4) Uani 0.50 1 d PDU A 1
H16 H 0.6834 0.6952 0.2503 0.098 Uiso 0.50 1 calc PR A 1
C17 C 0.5570(7) 0.6662(18) 0.1823(14) 0.124(6) Uani 0.50 1 d PDU A 1
H17A H 0.5389 0.6312 0.1301 0.186 Uiso 0.50 1 calc PR A 1
H17B H 0.5478 0.7387 0.1793 0.186 Uiso 0.50 1 calc PR A 1
H17C H 0.5453 0.6366 0.2361 0.186 Uiso 0.50 1 calc PR A 1
C18 C 0.6392(8) 0.6022(17) 0.1208(14) 0.138(7) Uani 0.50 1 d PDU A 1
H18A H 0.6776 0.6025 0.1418 0.207 Uiso 0.50 1 calc PR A 1
H18B H 0.6331 0.6367 0.0632 0.207 Uiso 0.50 1 calc PR A 1
H18C H 0.6265 0.5318 0.1144 0.207 Uiso 0.50 1 calc PR A 1
O9' O 0.6254(2) 0.7357(5) 0.3230(3) 0.0858(13) Uani 0.50 1 d PDU A 2
H9A H 0.636(7) 0.669(7) 0.296(9) 0.129 Uiso 0.50 1 d PD B 2
H9B H 0.613(7) 0.783(9) 0.270(6) 0.129 Uiso 0.50 1 d PD C 2
O10 O 0.6275(2) 0.9511(5) 0.3907(4) 0.0927(17) Uani 1 1 d D A .
H10A H 0.5913(18) 0.963(6) 0.355(5) 0.139 Uiso 1 1 d D . .
H10B H 0.648(3) 1.018(4) 0.399(6) 0.139 Uiso 1 1 d D . .
O1W O 0.1242(5) 0.5522(9) 0.2170(7) 0.212(4) Uani 1 1 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 O3 2.369(3) 5_666 ?
Eu1 O1 2.372(3) 2_656 ?
Eu1 O2 2.402(3) 8_565 ?
Eu1 O9 2.439(5) . ?
Eu1 O4 2.445(3) 3 ?
Eu1 O10 2.469(4) . ?
Eu1 O5 2.483(3) . ?
Eu1 O6 2.494(3) . ?
Eu1 O3 2.727(3) 3 ?
Eu1 C15 2.849(4) . ?
Eu1 C14 2.950(4) 3 ?
O1 C13 1.250(5) . ?
O1 Eu1 2.372(3) 2_656 ?
O2 C13 1.260(5) . ?
O2 Eu1 2.402(3) 8_466 ?
O3 C14 1.265(5) . ?
O3 Eu1 2.369(3) 5_666 ?
O3 Eu1 2.727(3) 3_445 ?
O4 C14 1.246(5) . ?
O4 Eu1 2.445(3) 3_445 ?
O5 C15 1.269(6) . ?
O6 C15 1.247(6) . ?
C1 C2 1.384(6) . ?
C1 C6 1.390(5) . ?
C1 C13 1.513(5) . ?
C2 C3 1.391(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.395(5) . ?
C3 C14 1.503(5) . ?
C4 C5 1.394(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.402(5) . ?
C5 C7 1.486(5) . ?
C6 H6 0.9300 . ?
C7 C12 1.375(6) . ?
C7 C8 1.396(6) . ?
C8 C9 1.397(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.371(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.376(6) . ?
C10 C15 1.507(5) . ?
C11 C12 1.397(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 Eu1 2.950(4) 3_445 ?
O9 C16 1.312(13) . ?
O9 H9A 0.99(2) . ?
O9 H9B 1.01(2) . ?
N1 C17 1.317(15) . ?
N1 C16 1.369(14) . ?
N1 C18 1.423(15) . ?
C16 H16 0.9300 . ?
C16 H9A 0.79(16) . ?
C16 H9B 1.43(13) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
O10 H10A 1.00(2) . ?
O10 H10B 0.99(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu1 O1 74.27(10) 5_666 2_656 ?
O3 Eu1 O2 79.75(10) 5_666 8_565 ?
O1 Eu1 O2 132.57(10) 2_656 8_565 ?
O3 Eu1 O9 84.27(16) 5_666 . ?
O1 Eu1 O9 139.57(16) 2_656 . ?
O2 Eu1 O9 73.97(15) 8_565 . ?
O3 Eu1 O4 123.36(10) 5_666 3 ?
O1 Eu1 O4 72.43(12) 2_656 3 ?
O2 Eu1 O4 90.71(12) 8_565 3 ?
O9 Eu1 O4 146.03(16) . 3 ?
O3 Eu1 O10 149.69(14) 5_666 . ?
O1 Eu1 O10 135.57(16) 2_656 . ?
O2 Eu1 O10 74.29(14) 8_565 . ?
O9 Eu1 O10 73.8(2) . . ?
O4 Eu1 O10 72.89(19) 3 . ?
O3 Eu1 O5 131.22(10) 5_666 . ?
O1 Eu1 O5 75.49(12) 2_656 . ?
O2 Eu1 O5 146.80(12) 8_565 . ?
O9 Eu1 O5 95.06(16) . . ?
O4 Eu1 O5 81.26(11) 3 . ?
O10 Eu1 O5 72.55(14) . . ?
O3 Eu1 O6 82.21(11) 5_666 . ?
O1 Eu1 O6 72.09(12) 2_656 . ?
O2 Eu1 O6 142.14(12) 8_565 . ?
O9 Eu1 O6 71.32(16) . . ?
O4 Eu1 O6 126.85(11) 3 . ?
O10 Eu1 O6 109.29(16) . . ?
O5 Eu1 O6 52.28(11) . . ?
O3 Eu1 O3 75.52(10) 5_666 3 ?
O1 Eu1 O3 67.78(10) 2_656 3 ?
O2 Eu1 O3 67.67(10) 8_565 3 ?
O9 Eu1 O3 139.04(14) . 3 ?
O4 Eu1 O3 49.83(9) 3 3 ?
O10 Eu1 O3 107.85(16) . 3 ?
O5 Eu1 O3 125.04(11) . 3 ?
O6 Eu1 O3 137.97(12) . 3 ?
O3 Eu1 C15 106.35(12) 5_666 . ?
O1 Eu1 C15 70.78(12) 2_656 . ?
O2 Eu1 C15 155.99(12) 8_565 . ?
O9 Eu1 C15 83.43(16) . . ?
O4 Eu1 C15 104.13(12) 3 . ?
O10 Eu1 C15 91.92(16) . . ?
O5 Eu1 C15 26.41(13) . . ?
O6 Eu1 C15 25.92(13) . . ?
O3 Eu1 C15 136.19(11) 3 . ?
O3 Eu1 C14 99.73(11) 5_666 3 ?
O1 Eu1 C14 67.31(11) 2_656 3 ?
O2 Eu1 C14 79.14(11) 8_565 3 ?
O9 Eu1 C14 151.66(15) . 3 ?
O4 Eu1 C14 24.50(10) 3 3 ?
O10 Eu1 C14 90.59(18) . 3 ?
O5 Eu1 C14 102.74(11) . 3 ?
O6 Eu1 C14 136.94(11) . 3 ?
O3 Eu1 C14 25.35(10) 3 3 ?
C15 Eu1 C14 121.35(12) . 3 ?
C13 O1 Eu1 138.1(3) . 2_656 ?
C13 O2 Eu1 133.8(3) . 8_466 ?
C14 O3 Eu1 158.9(3) . 5_666 ?
C14 O3 Eu1 87.2(2) . 3_445 ?
Eu1 O3 Eu1 104.48(10) 5_666 3_445 ?
C14 O4 Eu1 101.1(3) . 3_445 ?
C15 O5 Eu1 93.1(3) . . ?
C15 O6 Eu1 93.1(3) . . ?
C2 C1 C6 120.1(3) . . ?
C2 C1 C13 120.8(3) . . ?
C6 C1 C13 119.2(3) . . ?
C1 C2 C3 119.8(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 120.0(4) . . ?
C2 C3 C14 119.4(3) . . ?
C4 C3 C14 120.5(3) . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 118.4(3) . . ?
C4 C5 C7 120.7(3) . . ?
C6 C5 C7 120.8(4) . . ?
C1 C6 C5 120.8(4) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C12 C7 C8 118.3(4) . . ?
C12 C7 C5 121.3(4) . . ?
C8 C7 C5 120.3(4) . . ?
C7 C8 C9 120.5(4) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 120.8(5) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 118.7(4) . . ?
C9 C10 C15 121.6(4) . . ?
C11 C10 C15 119.7(4) . . ?
C10 C11 C12 121.1(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 120.6(4) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
O1 C13 O2 126.4(3) . . ?
O1 C13 C1 116.3(3) . . ?
O2 C13 C1 117.2(4) . . ?
O4 C14 O3 121.8(4) . . ?
O4 C14 C3 118.6(4) . . ?
O3 C14 C3 119.6(3) . . ?
O4 C14 Eu1 54.4(2) . 3_445 ?
O3 C14 Eu1 67.4(2) . 3_445 ?
C3 C14 Eu1 172.8(3) . 3_445 ?
O6 C15 O5 121.3(4) . . ?
O6 C15 C10 119.1(4) . . ?
O5 C15 C10 119.6(4) . . ?
O6 C15 Eu1 61.0(2) . . ?
O5 C15 Eu1 60.5(2) . . ?
C10 C15 Eu1 176.0(3) . . ?
C16 O9 Eu1 129.6(8) . . ?
C16 O9 H9A 37(9) . . ?
Eu1 O9 H9A 121(9) . . ?
C16 O9 H9B 75(9) . . ?
Eu1 O9 H9B 123(9) . . ?
H9A O9 H9B 106(3) . . ?
C17 N1 C16 121.6(15) . . ?
C17 N1 C18 127.8(17) . . ?
C16 N1 C18 110.6(14) . . ?
O9 C16 N1 118.0(13) . . ?
O9 C16 H16 121.0 . . ?
N1 C16 H16 121.0 . . ?
O9 C16 H9A 48.7(18) . . ?
N1 C16 H9A 102(10) . . ?
H16 C16 H9A 115.7 . . ?
O9 C16 H9B 43(3) . . ?
N1 C16 H9B 96(6) . . ?
H16 C16 H9B 126.9 . . ?
H9A C16 H9B 88(7) . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Eu1 O10 H10A 134(5) . . ?
Eu1 O10 H10B 117(5) . . ?
H10A O10 H10B 109(3) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.130
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.109
####################################################################### 
# 
# 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_trf
_database_code_depnum_ccdc_archive 'CCDC 1028535'
_audit_update_record             
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C81 H99 N7 O42 Tb4'
_chemical_formula_sum            'C81 H99 N7 O42 Tb4'
_chemical_formula_weight         2478.35

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.903(3)
_cell_length_b                   13.782(3)
_cell_length_c                   27.912(6)
_cell_angle_alpha                75.64(3)
_cell_angle_beta                 79.46(3)
_cell_angle_gamma                85.71(3)
_cell_volume                     4724.9(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16184
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2460
_exptl_absorpt_coefficient_mu    3.052
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4457
_exptl_absorpt_correction_T_max  0.4818
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            35412
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         25.00
_reflns_number_total             16184
_reflns_number_gt                13392
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0696P)²+18.0403P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16184
_refine_ls_number_parameters     1075
_refine_ls_number_restraints     44
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_ref         0.1355
_refine_ls_wR_factor_gt          0.1231
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.719
_refine_ls_shift/su_mean         0.010

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb -0.11984(3) 2.02123(2) -0.446350(11) 0.02213(10) Uani 1 1 d D . .
Tb2 Tb -0.52995(3) 1.53812(3) -0.585110(12) 0.02462(10) Uani 1 1 d D . .
Tb3 Tb 0.03018(3) 1.87474(2) -0.939543(11) 0.02185(10) Uani 1 1 d D . .
Tb4 Tb -0.48348(3) 1.47940(3) -0.085777(12) 0.02457(10) Uani 1 1 d D . .
O1 O -0.0543(4) 1.9323(4) -0.52795(19) 0.0338(12) Uani 1 1 d . . .
O2 O -0.2007(4) 1.9002(4) -0.4746(2) 0.0382(13) Uani 1 1 d . . .
O3 O -0.4006(5) 1.5666(4) -0.5440(2) 0.0431(15) Uani 1 1 d . . .
O4 O -0.3755(4) 1.5896(4) -0.47133(19) 0.0375(13) Uani 1 1 d . . .
O5 O 0.0447(5) 1.8879(5) -0.8558(2) 0.0523(17) Uani 1 1 d . . .
O6 O -0.0716(5) 1.7860(5) -0.85963(19) 0.0457(15) Uani 1 1 d . . .
O7 O -0.3630(4) 1.5163(4) -0.64258(19) 0.0359(13) Uani 1 1 d . . .
O8 O -0.4073(4) 1.3920(4) -0.57709(19) 0.0322(12) Uani 1 1 d . . .
O9 O -0.1318(4) 1.1350(4) -0.52403(18) 0.0353(13) Uani 1 1 d . . .
O10 O 0.0196(4) 1.1260(4) -0.57731(19) 0.0342(13) Uani 1 1 d . . .
O11 O 0.2606(5) 1.6604(5) -0.8523(2) 0.0502(16) Uani 1 1 d . . .
O12 O 0.3264(5) 1.5090(4) -0.8588(2) 0.0443(15) Uani 1 1 d . . .
O13 O -0.1099(5) 1.9837(4) -0.9230(2) 0.0392(14) Uani 1 1 d . . .
O14 O -0.1236(4) 2.1273(4) -0.97911(19) 0.0362(13) Uani 1 1 d . . .
O15 O -0.4944(5) 2.3539(4) -0.8615(2) 0.0427(15) Uani 1 1 d . . .
O16 O -0.3866(4) 2.3894(4) -0.93293(19) 0.0357(13) Uani 1 1 d . . .
O17 O -0.5113(5) 1.6941(4) -0.6368(2) 0.0439(15) Uani 1 1 d . . .
O18 O -0.5551(6) 1.8149(5) -0.5969(2) 0.067(2) Uani 1 1 d . . .
O19 O -0.4040(5) 1.5719(4) -0.0459(2) 0.0417(14) Uani 1 1 d . . .
O20 O -0.3895(5) 1.6084(4) 0.0249(2) 0.0397(14) Uani 1 1 d . . .
O21 O -0.0994(5) 1.9692(4) -0.0335(2) 0.0398(14) Uani 1 1 d . . .
O22 O -0.1063(4) 1.8276(4) 0.0247(2) 0.0373(13) Uani 1 1 d . . .
O23 O -0.2228(5) 1.9370(6) -0.3653(2) 0.065(2) Uani 1 1 d . . .
O24 O -0.0876(5) 2.0175(4) -0.36254(19) 0.0453(15) Uani 1 1 d . . .
O25 O -0.3101(5) 2.0612(6) -0.4445(3) 0.070(2) Uani 1 1 d D . .
O26 O -0.1441(6) 2.1866(4) -0.4321(2) 0.060(2) Uani 1 1 d D . .
O27 O -0.5770(6) 1.4627(6) -0.6437(2) 0.065(2) Uani 1 1 d . . .
O28 O -0.6106(5) 1.6430(4) -0.5279(2) 0.0477(16) Uani 1 1 d D . .
O29 O -0.7154(4) 1.5832(5) -0.5926(2) 0.0476(15) Uani 1 1 d D . .
O30 O 0.0576(5) 1.6997(4) -0.9363(2) 0.0519(16) Uani 1 1 d . . .
O31 O 0.2116(5) 1.8321(5) -0.9263(2) 0.0516(17) Uani 1 1 d D . .
O32 O -0.6239(7) 1.4711(6) -0.1326(3) 0.078(3) Uani 1 1 d D . .
O33 O -0.4649(5) 1.3190(5) -0.1081(2) 0.0520(16) Uani 1 1 d D . .
O34 O -0.3787(5) 1.3630(4) -0.0301(2) 0.0437(15) Uani 1 1 d D . .
C1 C -0.1757(6) 1.8243(6) -0.5431(3) 0.0275(16) Uani 1 1 d . . .
C2 C -0.2507(6) 1.7524(6) -0.5193(3) 0.0278(16) Uani 1 1 d . . .
H2 H -0.2773 1.7446 -0.4853 0.033 Uiso 1 1 calc R . .
C3 C -0.2852(6) 1.6936(5) -0.5452(3) 0.0257(15) Uani 1 1 d . . .
C4 C -0.2482(6) 1.7067(6) -0.5960(3) 0.0302(17) Uani 1 1 d . . .
H4 H -0.2746 1.6678 -0.6136 0.036 Uiso 1 1 calc R . .
C5 C -0.1723(6) 1.7766(6) -0.6215(3) 0.0312(17) Uani 1 1 d . . .
C6 C -0.1354(6) 1.8348(6) -0.5936(3) 0.0299(17) Uani 1 1 d . . .
H6 H -0.0833 1.8809 -0.6092 0.036 Uiso 1 1 calc R . .
C7 C -0.1353(6) 1.7884(6) -0.6762(3) 0.0320(17) Uani 1 1 d . . .
C8 C -0.0405(9) 1.8350(9) -0.6996(3) 0.065(3) Uani 1 1 d . . .
H8 H 0.0006 1.8576 -0.6807 0.078 Uiso 1 1 calc R . .
C9 C -0.0074(8) 1.8479(9) -0.7509(3) 0.061(3) Uani 1 1 d . . .
H9 H 0.0558 1.8793 -0.7660 0.073 Uiso 1 1 calc R . .
C10 C -0.0663(7) 1.8151(6) -0.7795(3) 0.0323(18) Uani 1 1 d . . .
C11 C -0.1551(7) 1.7635(8) -0.7562(3) 0.048(2) Uani 1 1 d . . .
H11 H -0.1932 1.7366 -0.7748 0.058 Uiso 1 1 calc R . .
C12 C -0.1888(8) 1.7509(7) -0.7054(3) 0.047(2) Uani 1 1 d . . .
H12 H -0.2498 1.7159 -0.6904 0.057 Uiso 1 1 calc R . .
C13 C -0.1403(6) 1.8889(6) -0.5143(3) 0.0286(16) Uani 1 1 d . . .
C14 C -0.3602(6) 1.6107(5) -0.5188(3) 0.0269(16) Uani 1 1 d . . .
C15 C -0.0290(7) 1.8299(6) -0.8352(3) 0.0348(19) Uani 1 1 d . . .
C16 C -0.2357(6) 1.3820(6) -0.6260(3) 0.0287(16) Uani 1 1 d . . .
C17 C -0.2064(6) 1.2987(5) -0.5918(3) 0.0283(16) Uani 1 1 d . . .
H17 H -0.2521 1.2729 -0.5622 0.034 Uiso 1 1 calc R . .
C18 C -0.1068(6) 1.2534(6) -0.6023(3) 0.0302(17) Uani 1 1 d . . .
C19 C -0.0397(6) 1.2927(6) -0.6463(3) 0.0317(18) Uani 1 1 d . . .
H19 H 0.0253 1.2608 -0.6535 0.038 Uiso 1 1 calc R . .
C20 C -0.0673(6) 1.3794(6) -0.6803(3) 0.0338(18) Uani 1 1 d . . .
C21 C -0.1662(6) 1.4231(6) -0.6691(3) 0.040(2) Uani 1 1 d . . .
H21 H -0.1863 1.4812 -0.6910 0.048 Uiso 1 1 calc R . .
C22 C 0.0105(6) 1.4277(6) -0.7251(3) 0.037(2) Uani 1 1 d . . .
C23 C 0.0155(7) 1.5301(7) -0.7401(3) 0.053(3) Uani 1 1 d . . .
H23 H -0.0335 1.5698 -0.7241 0.064 Uiso 1 1 calc R . .
C24 C 0.0932(7) 1.5746(7) -0.7790(4) 0.054(3) Uani 1 1 d . . .
H24 H 0.0953 1.6442 -0.7889 0.065 Uiso 1 1 calc R . .
C25 C 0.1676(6) 1.5179(6) -0.8033(3) 0.038(2) Uani 1 1 d . . .
C26 C 0.1602(7) 1.4148(6) -0.7892(3) 0.043(2) Uani 1 1 d . . .
H26 H 0.2084 1.3755 -0.8059 0.051 Uiso 1 1 calc R . .
C27 C 0.0828(7) 1.3692(7) -0.7508(3) 0.049(2) Uani 1 1 d . . .
H27 H 0.0787 1.2997 -0.7421 0.059 Uiso 1 1 calc R . .
C28 C -0.3423(6) 1.4339(6) -0.6145(3) 0.0290(17) Uani 1 1 d . . .
C29 C -0.0705(6) 1.1637(6) -0.5648(3) 0.0312(17) Uani 1 1 d . . .
C30 C 0.2581(7) 1.5665(6) -0.8412(3) 0.0366(19) Uani 1 1 d . . .
C31 C -0.2361(6) 2.1030(6) -0.9004(3) 0.0289(16) Uani 1 1 d . . .
C32 C -0.2838(6) 2.1987(6) -0.9123(3) 0.0311(17) Uani 1 1 d . . .
H32 H -0.2608 2.2423 -0.9431 0.037 Uiso 1 1 calc R . .
C33 C -0.3647(6) 2.2290(5) -0.8787(3) 0.0281(16) Uani 1 1 d . . .
C34 C -0.4007(6) 2.1636(6) -0.8332(3) 0.0310(17) Uani 1 1 d . . .
H34 H -0.4557 2.1840 -0.8108 0.037 Uiso 1 1 calc R . .
C35 C -0.3555(6) 2.0677(5) -0.8205(3) 0.0310(17) Uani 1 1 d . . .
C36 C -0.2727(6) 2.0395(6) -0.8541(3) 0.0327(18) Uani 1 1 d . . .
H36 H -0.2408 1.9763 -0.8455 0.039 Uiso 1 1 calc R . .
C37 C -0.3979(7) 1.9964(6) -0.7718(3) 0.0345(18) Uani 1 1 d . . .
C38 C -0.4009(8) 1.8946(6) -0.7709(3) 0.045(2) Uani 1 1 d . . .
H38 H -0.3762 1.8719 -0.7998 0.054 Uiso 1 1 calc R . .
C39 C -0.4416(8) 1.8272(6) -0.7261(3) 0.046(2) Uani 1 1 d . . .
H39 H -0.4436 1.7594 -0.7251 0.055 Uiso 1 1 calc R . .
C40 C -0.4793(7) 1.8617(6) -0.6827(3) 0.0347(18) Uani 1 1 d . . .
C41 C -0.4772(8) 1.9615(7) -0.6845(3) 0.053(3) Uani 1 1 d . . .
H41 H -0.5035 1.9849 -0.6560 0.064 Uiso 1 1 calc R . .
C42 C -0.4363(8) 2.0275(7) -0.7286(4) 0.055(3) Uani 1 1 d . . .
H42 H -0.4346 2.0951 -0.7291 0.066 Uiso 1 1 calc R . .
C43 C -0.1493(6) 2.0697(6) -0.9370(3) 0.0296(17) Uani 1 1 d . . .
C44 C -0.4193(6) 2.3294(5) -0.8917(3) 0.0311(17) Uani 1 1 d . . .
C45 C -0.5186(7) 1.7859(6) -0.6354(3) 0.0375(19) Uani 1 1 d . . .
C46 C -0.3004(5) 1.7079(5) -0.0489(3) 0.0236(15) Uani 1 1 d . . .
C47 C -0.2479(6) 1.7540(5) -0.0217(3) 0.0280(16) Uani 1 1 d . . .
H47 H -0.2550 1.7303 0.0129 0.034 Uiso 1 1 calc R . .
C48 C -0.1855(6) 1.8347(5) -0.0456(3) 0.0254(15) Uani 1 1 d . . .
C49 C -0.1759(6) 1.8686(6) -0.0970(3) 0.0302(17) Uani 1 1 d . . .
H49 H -0.1345 1.9235 -0.1132 0.036 Uiso 1 1 calc R . .
C50 C -0.2256(6) 1.8238(6) -0.1251(3) 0.0314(17) Uani 1 1 d . . .
C51 C -0.2877(6) 1.7418(6) -0.1008(3) 0.0312(17) Uani 1 1 d . . .
H51 H -0.3208 1.7098 -0.1192 0.037 Uiso 1 1 calc R . .
C52 C -0.2097(6) 1.8586(6) -0.1808(3) 0.0324(18) Uani 1 1 d . . .
C53 C -0.2880(7) 1.8508(8) -0.2073(3) 0.047(2) Uani 1 1 d . . .
H53 H -0.3520 1.8238 -0.1900 0.056 Uiso 1 1 calc R . .
C54 C -0.2729(8) 1.8825(8) -0.2591(3) 0.047(2) Uani 1 1 d . . .
H54 H -0.3266 1.8767 -0.2763 0.057 Uiso 1 1 calc R . .
C55 C -0.1774(7) 1.9230(6) -0.2856(3) 0.0341(18) Uani 1 1 d . . .
C56 C -0.1019(7) 1.9308(6) -0.2591(3) 0.039(2) Uani 1 1 d . . .
H56 H -0.0381 1.9584 -0.2764 0.047 Uiso 1 1 calc R . .
C57 C -0.1159(7) 1.8993(7) -0.2078(3) 0.044(2) Uani 1 1 d . . .
H57 H -0.0617 1.9055 -0.1910 0.053 Uiso 1 1 calc R . .
C58 C -0.3698(6) 1.6240(5) -0.0214(3) 0.0264(16) Uani 1 1 d . . .
C59 C -0.1273(6) 1.8812(5) -0.0161(3) 0.0285(16) Uani 1 1 d . . .
C60 C -0.1616(7) 1.9616(6) -0.3415(3) 0.0368(19) Uani 1 1 d . . .
N1 N -0.6195(10) 1.3759(9) -0.6946(5) 0.093(3) Uiso 1 1 d . . .
N2 N 0.1076(9) 1.5646(9) -0.9710(4) 0.084(3) Uiso 1 1 d . . .
C61 C -0.5608(15) 1.4354(14) -0.6772(7) 0.121(6) Uiso 1 1 d . . .
H61 H -0.4970 1.4550 -0.6979 0.146 Uiso 1 1 calc R . .
C62 C -0.7066(19) 1.3222(18) -0.6632(9) 0.181(10) Uiso 1 1 d . . .
H62A H -0.7379 1.2863 -0.6821 0.272 Uiso 1 1 calc R . .
H62B H -0.7580 1.3684 -0.6510 0.272 Uiso 1 1 calc R . .
H62C H -0.6828 1.2757 -0.6353 0.272 Uiso 1 1 calc R . .
C63 C -0.5673(19) 1.3451(19) -0.7457(9) 0.182(10) Uiso 1 1 d . . .
H63A H -0.6144 1.3034 -0.7540 0.273 Uiso 1 1 calc R . .
H63B H -0.5018 1.3089 -0.7414 0.273 Uiso 1 1 calc R . .
H63C H -0.5545 1.4044 -0.7723 0.273 Uiso 1 1 calc R . .
C64 C 0.0767(12) 1.6592(12) -0.9743(6) 0.097(4) Uiso 1 1 d . . .
H64 H 0.0682 1.6989 -1.0056 0.116 Uiso 1 1 calc R . .
C65 C 0.1379(14) 1.5275(13) -1.0186(6) 0.115(5) Uiso 1 1 d . . .
H65A H 0.1588 1.4578 -1.0102 0.173 Uiso 1 1 calc R . .
H65B H 0.1956 1.5652 -1.0400 0.173 Uiso 1 1 calc R . .
H65C H 0.0787 1.5359 -1.0358 0.173 Uiso 1 1 calc R . .
C66 C 0.1113(14) 1.4979(13) -0.9223(6) 0.115(5) Uiso 1 1 d . . .
H66A H 0.1355 1.4323 -0.9264 0.172 Uiso 1 1 calc R . .
H66B H 0.0421 1.4940 -0.9023 0.172 Uiso 1 1 calc R . .
H66C H 0.1588 1.5230 -0.9058 0.172 Uiso 1 1 calc R . .
O35 O 0.6009(6) 0.1529(6) -0.0040(3) 0.069(2) Uiso 1 1 d . . .
N3 N 0.5451(7) 0.0180(6) 0.0567(3) 0.054(2) Uiso 1 1 d . . .
C67 C 0.5391(10) 0.1133(10) 0.0336(5) 0.075(3) Uiso 1 1 d . . .
H67 H 0.4850 0.1531 0.0465 0.090 Uiso 1 1 calc R . .
C68 C 0.4627(13) -0.0185(13) 0.1001(6) 0.110(5) Uiso 1 1 d . . .
H68A H 0.4751 -0.0887 0.1137 0.165 Uiso 1 1 calc R . .
H68B H 0.3950 -0.0083 0.0898 0.165 Uiso 1 1 calc R . .
H68C H 0.4642 0.0175 0.1253 0.165 Uiso 1 1 calc R . .
C69 C 0.6260(12) -0.0492(11) 0.0429(6) 0.096(4) Uiso 1 1 d . . .
H69A H 0.6141 -0.1145 0.0648 0.144 Uiso 1 1 calc R . .
H69B H 0.6928 -0.0263 0.0455 0.144 Uiso 1 1 calc R . .
H69C H 0.6263 -0.0526 0.0089 0.144 Uiso 1 1 calc R . .
O36 O 0.2152(6) 0.7484(6) 0.3451(3) 0.075(2) Uiso 1 1 d . . .
N4 N 0.2866(7) 0.7705(7) 0.2621(3) 0.063(2) Uiso 1 1 d . . .
C70 C 0.2401(10) 0.8016(10) 0.3014(5) 0.076(3) Uiso 1 1 d . . .
H70 H 0.2237 0.8699 0.2966 0.091 Uiso 1 1 calc R . .
C71 C 0.3083(11) 0.8382(11) 0.2128(5) 0.089(4) Uiso 1 1 d . . .
H71A H 0.3426 0.8015 0.1889 0.134 Uiso 1 1 calc R . .
H71B H 0.3534 0.8898 0.2137 0.134 Uiso 1 1 calc R . .
H71C H 0.2432 0.8679 0.2032 0.134 Uiso 1 1 calc R . .
C72 C 0.3199(11) 0.6695(10) 0.2687(5) 0.085(4) Uiso 1 1 d . . .
H72A H 0.3524 0.6571 0.2368 0.127 Uiso 1 1 calc R . .
H72B H 0.2602 0.6277 0.2824 0.127 Uiso 1 1 calc R . .
H72C H 0.3700 0.6545 0.2913 0.127 Uiso 1 1 calc R . .
O37 O 0.8668(7) 0.3864(7) 0.5094(3) 0.078(2) Uiso 1 1 d . . .
N5 N 0.9864(7) 0.4531(6) 0.4427(3) 0.055(2) Uiso 1 1 d . . .
C73 C 0.8930(9) 0.4485(9) 0.4701(4) 0.067(3) Uiso 1 1 d . . .
H73 H 0.8423 0.4960 0.4589 0.080 Uiso 1 1 calc R . .
C74 C 1.0107(12) 0.5315(11) 0.3974(5) 0.097(4) Uiso 1 1 d . . .
H74A H 1.0826 0.5231 0.3820 0.145 Uiso 1 1 calc R . .
H74B H 1.0008 0.5956 0.4055 0.145 Uiso 1 1 calc R . .
H74C H 0.9647 0.5277 0.3745 0.145 Uiso 1 1 calc R . .
C75 C 1.0644(10) 0.3818(10) 0.4561(5) 0.083(4) Uiso 1 1 d . . .
H75A H 1.1278 0.3964 0.4319 0.125 Uiso 1 1 calc R . .
H75B H 1.0414 0.3166 0.4570 0.125 Uiso 1 1 calc R . .
H75C H 1.0778 0.3832 0.4886 0.125 Uiso 1 1 calc R . .
O38 O 0.7067(13) 0.4141(13) 0.2120(6) 0.172(6) Uiso 1 1 d . . .
N6 N 0.805(2) 0.262(2) 0.2237(11) 0.214(10) Uiso 1 1 d . . .
C76 C 0.714(2) 0.317(2) 0.2472(11) 0.187(10) Uiso 1 1 d . . .
H76 H 0.6707 0.2936 0.2779 0.225 Uiso 1 1 calc R . .
C77 C 0.874(3) 0.290(3) 0.1710(14) 0.290(19) Uiso 1 1 d . . .
H77A H 0.9240 0.2368 0.1668 0.434 Uiso 1 1 calc R . .
H77B H 0.9100 0.3504 0.1676 0.434 Uiso 1 1 calc R . .
H77C H 0.8295 0.3009 0.1458 0.434 Uiso 1 1 calc R . .
C78 C 0.810(3) 0.159(3) 0.2686(12) 0.255(15) Uiso 1 1 d . . .
H78A H 0.8664 0.1157 0.2577 0.382 Uiso 1 1 calc R . .
H78B H 0.7446 0.1261 0.2760 0.382 Uiso 1 1 calc R . .
H78C H 0.8237 0.1767 0.2981 0.382 Uiso 1 1 calc R . .
O39 O 0.6007(18) 0.2050(17) 0.3319(9) 0.244(9) Uiso 1 1 d D . .
N7 N 0.566(2) 0.119(2) 0.4245(11) 0.232(11) Uiso 1 1 d D . .
C79 C 0.544(3) 0.190(3) 0.3798(11) 0.246(15) Uiso 1 1 d D . .
H79 H 0.4836 0.2311 0.3839 0.295 Uiso 1 1 calc R . .
C80 C 0.528(3) 0.149(3) 0.4718(13) 0.288(18) Uiso 1 1 d D . .
H80A H 0.4695 0.1961 0.4675 0.433 Uiso 1 1 calc R . .
H80B H 0.5834 0.1795 0.4808 0.433 Uiso 1 1 calc R . .
H80C H 0.5049 0.0911 0.4979 0.433 Uiso 1 1 calc R . .
C81 C 0.657(2) 0.056(2) 0.4078(12) 0.242(14) Uiso 1 1 d D . .
H81A H 0.6579 0.0552 0.3735 0.363 Uiso 1 1 calc R . .
H81B H 0.6506 -0.0109 0.4284 0.363 Uiso 1 1 calc R . .
H81C H 0.7211 0.0835 0.4107 0.363 Uiso 1 1 calc R . .
O1W O 0.6436(10) 0.5829(9) 0.2508(5) 0.128(4) Uiso 1 1 d . . .
O2W O 0.6031(11) 0.7263(10) 0.1650(5) 0.145(5) Uiso 1 1 d . . .
O3W O 0.7887(16) 0.6787(15) 0.1084(8) 0.222(8) Uiso 1 1 d . . .
H25A H -0.3707(17) 2.017(9) -0.424(8) 0.333 Uiso 1 1 d D . .
H25B H -0.345(3) 2.131(3) -0.447(10) 0.333 Uiso 1 1 d D . .
H26A H -0.210(4) 2.234(9) -0.431(11) 0.333 Uiso 1 1 d D . .
H26B H -0.088(3) 2.239(9) -0.434(11) 0.333 Uiso 1 1 d D . .
H28A H -0.631(17) 1.617(4) -0.4911(15) 0.333 Uiso 1 1 d D . .
H28B H -0.590(14) 1.714(6) -0.533(5) 0.333 Uiso 1 1 d D . .
H29A H -0.750(5) 1.59(2) -0.623(4) 0.333 Uiso 1 1 d D . .
H29B H -0.778(4) 1.58(2) -0.5651(16) 0.333 Uiso 1 1 d D . .
H31A H 0.273(6) 1.879(5) -0.932(10) 0.333 Uiso 1 1 d D . .
H31B H 0.242(6) 1.767(6) -0.906(10) 0.333 Uiso 1 1 d D . .
H32A H -0.694(7) 1.442(17) -0.116(2) 0.333 Uiso 1 1 d D . .
H32B H -0.641(13) 1.529(8) -0.160(6) 0.333 Uiso 1 1 d D . .
H33A H -0.406(12) 1.269(8) -0.100(8) 0.333 Uiso 1 1 d D . .
H33B H -0.479(19) 1.310(5) -0.141(4) 0.333 Uiso 1 1 d D . .
H34A H -0.306(10) 1.372(9) -0.023(8) 0.333 Uiso 1 1 d D . .
H34B H -0.387(12) 1.285(7) -0.017(9) 0.333 Uiso 1 1 d D . .


_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
Tb1 O1 2.318(5) 2_594 ?
Tb1 O10 2.341(5) 2_584 ?
Tb1 O9 2.363(5) 1_565 ?
Tb1 O2 2.388(5) . ?
Tb1 O26 2.398(6) . ?
Tb1 O24 2.437(5) . ?
Tb1 O23 2.460(6) . ?
Tb1 O25 2.470(6) . ?
Tb1 C60 2.797(7) . ?
Tb1 O1 2.816(6) . ?
Tb1 C13 2.994(8) . ?
Tb1 Tb1 4.0106(15) 2_594 ?
Tb2 O17 2.274(5) . ?
Tb2 O3 2.297(5) . ?
Tb2 O4 2.304(5) 2_484 ?
Tb2 O27 2.328(6) . ?
Tb2 O8 2.457(5) . ?
Tb2 O28 2.457(6) . ?
Tb2 O29 2.460(6) . ?
Tb2 O7 2.487(5) . ?
Tb2 C28 2.817(7) . ?
Tb3 O21 2.286(5) 2_594 ?
Tb3 O13 2.317(5) . ?
Tb3 O14 2.374(5) 2_593 ?
Tb3 O22 2.379(5) 1_554 ?
Tb3 O30 2.393(6) . ?
Tb3 O5 2.429(6) . ?
Tb3 O31 2.442(6) . ?
Tb3 O6 2.452(6) . ?
Tb3 C15 2.795(7) . ?
Tb4 O19 2.286(6) . ?
Tb4 O20 2.301(5) 2_485 ?
Tb4 O12 2.303(5) 2_584 ?
Tb4 O33 2.425(6) . ?
Tb4 O15 2.431(5) 2_494 ?
Tb4 O32 2.444(7) . ?
Tb4 O34 2.455(6) . ?
Tb4 O16 2.459(5) 2_494 ?
Tb4 C44 2.808(7) 2_494 ?
O1 C13 1.251(9) . ?
O1 Tb1 2.318(5) 2_594 ?
O2 C13 1.269(9) . ?
O3 C14 1.237(9) . ?
O4 C14 1.265(9) . ?
O4 Tb2 2.304(5) 2_484 ?
O5 C15 1.249(10) . ?
O6 C15 1.235(10) . ?
O7 C28 1.251(9) . ?
O8 C28 1.257(9) . ?
O9 C29 1.253(9) . ?
O9 Tb1 2.363(5) 1_545 ?
O10 C29 1.262(9) . ?
O10 Tb1 2.341(5) 2_584 ?
O11 C30 1.255(10) . ?
O12 C30 1.255(10) . ?
O12 Tb4 2.303(5) 2_584 ?
O13 C43 1.253(9) . ?
O14 C43 1.247(9) . ?
O14 Tb3 2.374(5) 2_593 ?
O15 C44 1.249(9) . ?
O15 Tb4 2.431(5) 2_494 ?
O16 C44 1.260(9) . ?
O16 Tb4 2.459(5) 2_494 ?
O17 C45 1.272(10) . ?
O18 C45 1.240(10) . ?
O19 C58 1.257(9) . ?
O20 C58 1.238(9) . ?
O20 Tb4 2.301(5) 2_485 ?
O21 C59 1.244(9) . ?
O21 Tb3 2.286(5) 2_594 ?
O22 C59 1.256(9) . ?
O22 Tb3 2.379(5) 1_556 ?
O23 C60 1.235(10) . ?
O24 C60 1.237(10) . ?
O25 H25A 1.02(2) . ?
O25 H25B 1.03(2) . ?
O26 H26A 1.04(3) . ?
O26 H26B 1.05(3) . ?
O27 C61 1.075(19) . ?
O28 H28A 0.99(2) . ?
O28 H28B 1.00(2) . ?
O29 H29A 1.023(19) . ?
O29 H29B 1.010(19) . ?
O30 C64 1.294(16) . ?
O31 H31A 1.03(2) . ?
O31 H31B 1.02(3) . ?
O32 H32A 1.00(2) . ?
O32 H32B 1.01(2) . ?
O33 H33A 1.01(2) . ?
O33 H33B 1.01(2) . ?
O34 H34A 1.016(18) . ?
O34 H34B 1.06(6) . ?
C1 C6 1.384(10) . ?
C1 C2 1.394(10) . ?
C1 C13 1.484(10) . ?
C2 C3 1.357(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(10) . ?
C3 C14 1.507(10) . ?
C4 C5 1.393(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.408(10) . ?
C5 C7 1.485(10) . ?
C6 H6 0.9300 . ?
C7 C12 1.369(11) . ?
C7 C8 1.397(12) . ?
C8 C9 1.386(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.368(12) . ?
C9 H9 0.9300 . ?
C10 C11 1.364(12) . ?
C10 C15 1.509(10) . ?
C11 C12 1.376(11) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C16 C17 1.377(10) . ?
C16 C21 1.383(11) . ?
C16 C28 1.520(10) . ?
C17 C18 1.400(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.380(10) . ?
C18 C29 1.514(10) . ?
C19 C20 1.397(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(11) . ?
C20 C22 1.498(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.372(12) . ?
C22 C27 1.402(12) . ?
C23 C24 1.387(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.380(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.383(12) . ?
C25 C30 1.498(11) . ?
C26 C27 1.382(12) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C31 C36 1.392(10) . ?
C31 C32 1.402(10) . ?
C31 C43 1.499(10) . ?
C32 C33 1.383(10) . ?
C32 H32 0.9300 . ?
C33 C34 1.386(10) . ?
C33 C44 1.497(10) . ?
C34 C35 1.393(10) . ?
C34 H34 0.9300 . ?
C35 C36 1.388(11) . ?
C35 C37 1.501(10) . ?
C36 H36 0.9300 . ?
C37 C42 1.376(12) . ?
C37 C38 1.401(12) . ?
C38 C39 1.400(11) . ?
C38 H38 0.9300 . ?
C39 C40 1.402(12) . ?
C39 H39 0.9300 . ?
C40 C41 1.365(12) . ?
C40 C45 1.498(11) . ?
C41 C42 1.378(12) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C44 Tb4 2.808(7) 2_494 ?
C46 C47 1.389(10) . ?
C46 C51 1.389(10) . ?
C46 C58 1.480(10) . ?
C47 C48 1.379(10) . ?
C47 H47 0.9300 . ?
C48 C49 1.379(10) . ?
C48 C59 1.489(10) . ?
C49 C50 1.375(10) . ?
C49 H49 0.9300 . ?
C50 C51 1.391(11) . ?
C50 C52 1.490(10) . ?
C51 H51 0.9300 . ?
C52 C57 1.380(11) . ?
C52 C53 1.381(11) . ?
C53 C54 1.384(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.392(12) . ?
C54 H54 0.9300 . ?
C55 C56 1.350(11) . ?
C55 C60 1.500(10) . ?
C56 C57 1.373(11) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
N1 C61 1.38(2) . ?
N1 C62 1.42(2) . ?
N1 C63 1.61(2) . ?
N2 C64 1.321(18) . ?
N2 C66 1.448(18) . ?
N2 C65 1.516(18) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O35 C67 1.230(14) . ?
N3 C67 1.316(14) . ?
N3 C69 1.408(16) . ?
N3 C68 1.469(17) . ?
C67 H67 0.9300 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O36 C70 1.256(14) . ?
N4 C70 1.303(15) . ?
N4 C72 1.404(15) . ?
N4 C71 1.450(15) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O37 C73 1.221(13) . ?
N5 C73 1.301(14) . ?
N5 C75 1.387(14) . ?
N5 C74 1.446(16) . ?
C73 H73 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
O38 C76 1.46(3) . ?
N6 C76 1.48(3) . ?
N6 C77 1.55(4) . ?
N6 C78 1.64(3) . ?
C76 H76 0.9300 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
O39 C79 1.376(18) . ?
N7 C79 1.448(18) . ?
N7 C81 1.472(18) . ?
N7 C80 1.475(18) . ?
C79 H79 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Tb1 O10 74.80(19) 2_594 2_584 ?
O1 Tb1 O9 79.76(19) 2_594 1_565 ?
O10 Tb1 O9 133.70(18) 2_584 1_565 ?
O1 Tb1 O2 125.23(19) 2_594 . ?
O10 Tb1 O2 76.3(2) 2_584 . ?
O9 Tb1 O2 88.2(2) 1_565 . ?
O1 Tb1 O26 82.8(2) 2_594 . ?
O10 Tb1 O26 139.5(2) 2_584 . ?
O9 Tb1 O26 72.1(2) 1_565 . ?
O2 Tb1 O26 142.9(2) . . ?
O1 Tb1 O24 84.7(2) 2_594 . ?
O10 Tb1 O24 74.4(2) 2_584 . ?
O9 Tb1 O24 140.77(19) 1_565 . ?
O2 Tb1 O24 129.49(19) . . ?
O26 Tb1 O24 70.3(2) . . ?
O1 Tb1 O23 133.69(19) 2_594 . ?
O10 Tb1 O23 77.3(2) 2_584 . ?
O9 Tb1 O23 143.8(2) 1_565 . ?
O2 Tb1 O23 81.7(2) . . ?
O26 Tb1 O23 95.7(3) . . ?
O24 Tb1 O23 52.3(2) . . ?
O1 Tb1 O25 150.3(2) 2_594 . ?
O10 Tb1 O25 134.5(2) 2_584 . ?
O9 Tb1 O25 74.8(2) 1_565 . ?
O2 Tb1 O25 69.4(2) . . ?
O26 Tb1 O25 75.2(3) . . ?
O24 Tb1 O25 105.7(3) . . ?
O23 Tb1 O25 69.2(3) . . ?
O1 Tb1 C60 109.0(2) 2_594 . ?
O10 Tb1 C60 72.9(2) 2_584 . ?
O9 Tb1 C60 153.0(2) 1_565 . ?
O2 Tb1 C60 105.4(2) . . ?
O26 Tb1 C60 83.5(2) . . ?
O24 Tb1 C60 26.2(2) . . ?
O23 Tb1 C60 26.2(2) . . ?
O25 Tb1 C60 88.2(3) . . ?
O1 Tb1 O1 77.70(18) 2_594 . ?
O10 Tb1 O1 69.24(17) 2_584 . ?
O9 Tb1 O1 67.92(17) 1_565 . ?
O2 Tb1 O1 48.66(17) . . ?
O26 Tb1 O1 137.91(18) . . ?
O24 Tb1 O1 142.54(19) . . ?
O23 Tb1 O1 124.6(2) . . ?
O25 Tb1 O1 105.9(2) . . ?
C60 Tb1 O1 138.1(2) . . ?
O1 Tb1 C13 102.0(2) 2_594 . ?
O10 Tb1 C13 72.2(2) 2_584 . ?
O9 Tb1 C13 76.25(19) 1_565 . ?
O2 Tb1 C13 24.08(19) . . ?
O26 Tb1 C13 146.6(2) . . ?
O24 Tb1 C13 142.6(2) . . ?
O23 Tb1 C13 103.7(2) . . ?
O25 Tb1 C13 86.6(2) . . ?
C60 Tb1 C13 124.2(2) . . ?
O1 Tb1 C13 24.62(17) . . ?
O1 Tb1 Tb1 43.31(14) 2_594 2_594 ?
O10 Tb1 Tb1 66.39(13) 2_584 2_594 ?
O9 Tb1 Tb1 68.49(13) 1_565 2_594 ?
O2 Tb1 Tb1 82.51(13) . 2_594 ?
O26 Tb1 Tb1 116.63(18) . 2_594 ?
O24 Tb1 Tb1 120.26(16) . 2_594 ?
O23 Tb1 Tb1 142.9(2) . 2_594 ?
O25 Tb1 Tb1 133.97(19) . 2_594 ?
C60 Tb1 Tb1 135.35(18) . 2_594 ?
O1 Tb1 Tb1 34.38(10) . 2_594 ?
C13 Tb1 Tb1 58.79(14) . 2_594 ?
O17 Tb2 O3 90.6(2) . . ?
O17 Tb2 O4 154.1(2) . 2_484 ?
O3 Tb2 O4 104.2(2) . 2_484 ?
O17 Tb2 O27 96.0(3) . . ?
O3 Tb2 O27 147.8(2) . . ?
O4 Tb2 O27 82.8(2) 2_484 . ?
O17 Tb2 O8 130.37(19) . . ?
O3 Tb2 O8 71.9(2) . . ?
O4 Tb2 O8 75.04(19) 2_484 . ?
O27 Tb2 O8 80.0(2) . . ?
O17 Tb2 O28 78.8(2) . . ?
O3 Tb2 O28 73.0(2) . . ?
O4 Tb2 O28 85.4(2) 2_484 . ?
O27 Tb2 O28 139.2(2) . . ?
O8 Tb2 O28 133.70(18) . . ?
O17 Tb2 O29 80.0(2) . . ?
O3 Tb2 O29 141.0(2) . . ?
O4 Tb2 O29 75.2(2) 2_484 . ?
O27 Tb2 O29 71.2(2) . . ?
O8 Tb2 O29 140.6(2) . . ?
O28 Tb2 O29 68.1(2) . . ?
O17 Tb2 O7 78.36(19) . . ?
O3 Tb2 O7 76.0(2) . . ?
O4 Tb2 O7 125.43(19) 2_484 . ?
O27 Tb2 O7 74.6(2) . . ?
O8 Tb2 O7 52.68(16) . . ?
O28 Tb2 O7 140.9(2) . . ?
O29 Tb2 O7 136.86(19) . . ?
O17 Tb2 C28 104.1(2) . . ?
O3 Tb2 C28 70.1(2) . . ?
O4 Tb2 C28 100.9(2) 2_484 . ?
O27 Tb2 C28 77.7(2) . . ?
O8 Tb2 C28 26.46(19) . . ?
O28 Tb2 C28 143.0(2) . . ?
O29 Tb2 C28 148.8(2) . . ?
O7 Tb2 C28 26.36(19) . . ?
O21 Tb3 O13 75.0(2) 2_594 . ?
O21 Tb3 O14 77.5(2) 2_594 2_593 ?
O13 Tb3 O14 124.68(18) . 2_593 ?
O21 Tb3 O22 121.97(19) 2_594 1_554 ?
O13 Tb3 O22 75.6(2) . 1_554 ?
O14 Tb3 O22 79.9(2) 2_593 1_554 ?
O21 Tb3 O30 146.8(2) 2_594 . ?
O13 Tb3 O30 137.6(2) . . ?
O14 Tb3 O30 76.8(2) 2_593 . ?
O22 Tb3 O30 73.3(2) 1_554 . ?
O21 Tb3 O5 85.7(2) 2_594 . ?
O13 Tb3 O5 78.2(2) . . ?
O14 Tb3 O5 145.4(2) 2_593 . ?
O22 Tb3 O5 134.1(2) 1_554 . ?
O30 Tb3 O5 104.2(2) . . ?
O21 Tb3 O31 80.4(2) 2_594 . ?
O13 Tb3 O31 141.9(2) . . ?
O14 Tb3 O31 76.2(2) 2_593 . ?
O22 Tb3 O31 142.5(2) 1_554 . ?
O30 Tb3 O31 73.4(2) . . ?
O5 Tb3 O31 71.2(2) . . ?
O21 Tb3 O6 132.8(2) 2_594 . ?
O13 Tb3 O6 75.4(2) . . ?
O14 Tb3 O6 149.4(2) 2_593 . ?
O22 Tb3 O6 84.38(19) 1_554 . ?
O30 Tb3 O6 73.6(2) . . ?
O5 Tb3 O6 52.6(2) . . ?
O31 Tb3 O6 102.1(2) . . ?
O21 Tb3 C15 109.3(2) 2_594 . ?
O13 Tb3 C15 74.0(2) . . ?
O14 Tb3 C15 161.3(2) 2_593 . ?
O22 Tb3 C15 108.9(2) 1_554 . ?
O30 Tb3 C15 89.8(2) . . ?
O5 Tb3 C15 26.5(2) . . ?
O31 Tb3 C15 87.5(2) . . ?
O6 Tb3 C15 26.2(2) . . ?
O19 Tb4 O20 105.3(2) . 2_485 ?
O19 Tb4 O12 85.1(2) . 2_584 ?
O20 Tb4 O12 153.0(2) 2_485 2_584 ?
O19 Tb4 O33 140.6(2) . . ?
O20 Tb4 O33 79.8(2) 2_485 . ?
O12 Tb4 O33 76.7(2) 2_584 . ?
O19 Tb4 O15 79.8(2) . 2_494 ?
O20 Tb4 O15 126.3(2) 2_485 2_494 ?
O12 Tb4 O15 79.66(19) 2_584 2_494 ?
O33 Tb4 O15 129.2(2) . 2_494 ?
O19 Tb4 O32 147.2(2) . . ?
O20 Tb4 O32 77.3(2) 2_485 . ?
O12 Tb4 O32 107.5(3) 2_584 . ?
O33 Tb4 O32 72.2(3) . . ?
O15 Tb4 O32 73.2(2) 2_494 . ?
O19 Tb4 O34 72.5(2) . . ?
O20 Tb4 O34 77.2(2) 2_485 . ?
O12 Tb4 O34 82.6(2) 2_584 . ?
O33 Tb4 O34 70.8(2) . . ?
O15 Tb4 O34 148.2(2) 2_494 . ?
O32 Tb4 O34 137.9(2) . . ?
O19 Tb4 O16 73.8(2) . 2_494 ?
O20 Tb4 O16 76.7(2) 2_485 2_494 ?
O12 Tb4 O16 130.36(19) 2_584 2_494 ?
O33 Tb4 O16 143.1(2) . 2_494 ?
O15 Tb4 O16 52.97(17) 2_494 2_494 ?
O32 Tb4 O16 75.1(2) . 2_494 ?
O34 Tb4 O16 129.37(19) . 2_494 ?
O19 Tb4 C44 75.5(2) . 2_494 ?
O20 Tb4 C44 101.7(2) 2_485 2_494 ?
O12 Tb4 C44 105.1(2) 2_584 2_494 ?
O33 Tb4 C44 142.9(2) . 2_494 ?
O15 Tb4 C44 26.3(2) 2_494 2_494 ?
O32 Tb4 C44 72.0(2) . 2_494 ?
O34 Tb4 C44 146.2(2) . 2_494 ?
O16 Tb4 C44 26.6(2) 2_494 2_494 ?
C13 O1 Tb1 167.7(5) . 2_594 ?
C13 O1 Tb1 85.7(5) . . ?
Tb1 O1 Tb1 102.30(18) 2_594 . ?
C13 O2 Tb1 105.8(5) . . ?
C14 O3 Tb2 154.9(6) . . ?
C14 O4 Tb2 129.3(5) . 2_484 ?
C15 O5 Tb3 93.3(5) . . ?
C15 O6 Tb3 92.6(5) . . ?
C28 O7 Tb2 91.7(4) . . ?
C28 O8 Tb2 93.0(4) . . ?
C29 O9 Tb1 135.6(5) . 1_545 ?
C29 O10 Tb1 139.5(5) . 2_584 ?
C30 O12 Tb4 138.5(5) . 2_584 ?
C43 O13 Tb3 145.0(5) . . ?
C43 O14 Tb3 140.4(5) . 2_593 ?
C44 O15 Tb4 94.0(4) . 2_494 ?
C44 O16 Tb4 92.3(4) . 2_494 ?
C45 O17 Tb2 140.8(5) . . ?
C58 O19 Tb4 174.0(6) . . ?
C58 O20 Tb4 134.0(5) . 2_485 ?
C59 O21 Tb3 172.7(5) . 2_594 ?
C59 O22 Tb3 119.4(5) . 1_556 ?
C60 O23 Tb1 92.3(5) . . ?
C60 O24 Tb1 93.4(5) . . ?
Tb1 O25 H25A 126(2) . . ?
Tb1 O25 H25B 126(2) . . ?
H25A O25 H25B 101(3) . . ?
Tb1 O26 H26A 130(2) . . ?
Tb1 O26 H26B 129(3) . . ?
H26A O26 H26B 98(3) . . ?
C61 O27 Tb2 153.1(13) . . ?
Tb2 O28 H28A 123(2) . . ?
Tb2 O28 H28B 122(2) . . ?
H28A O28 H28B 107(3) . . ?
Tb2 O29 H29A 127(2) . . ?
Tb2 O29 H29B 129(2) . . ?
H29A O29 H29B 103(2) . . ?
C64 O30 Tb3 126.4(8) . . ?
Tb3 O31 H31A 128(2) . . ?
Tb3 O31 H31B 129(2) . . ?
H31A O31 H31B 101(3) . . ?
Tb4 O32 H32A 122(2) . . ?
Tb4 O32 H32B 122(2) . . ?
H32A O32 H32B 104(3) . . ?
Tb4 O33 H33A 123(2) . . ?
Tb4 O33 H33B 123(2) . . ?
H33A O33 H33B 104(3) . . ?
Tb4 O34 H34A 129(2) . . ?
Tb4 O34 H34B 127(3) . . ?
H34A O34 H34B 102(4) . . ?
C6 C1 C2 119.5(7) . . ?
C6 C1 C13 120.8(7) . . ?
C2 C1 C13 119.7(6) . . ?
C3 C2 C1 120.6(7) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.0(7) . . ?
C2 C3 C14 120.7(6) . . ?
C4 C3 C14 119.3(6) . . ?
C3 C4 C5 121.8(7) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 117.3(7) . . ?
C4 C5 C7 119.8(7) . . ?
C6 C5 C7 122.9(7) . . ?
C1 C6 C5 120.8(7) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C12 C7 C8 117.0(7) . . ?
C12 C7 C5 122.3(7) . . ?
C8 C7 C5 120.6(7) . . ?
C9 C8 C7 120.5(8) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 120.9(8) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C11 C10 C9 118.8(7) . . ?
C11 C10 C15 121.0(7) . . ?
C9 C10 C15 120.1(7) . . ?
C10 C11 C12 120.5(8) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 122.1(8) . . ?
C7 C12 H12 118.9 . . ?
C11 C12 H12 119.0 . . ?
O1 C13 O2 119.7(7) . . ?
O1 C13 C1 122.3(7) . . ?
O2 C13 C1 117.9(6) . . ?
O1 C13 Tb1 69.7(4) . . ?
O2 C13 Tb1 50.2(4) . . ?
C1 C13 Tb1 167.2(5) . . ?
O3 C14 O4 124.3(7) . . ?
O3 C14 C3 119.3(7) . . ?
O4 C14 C3 116.4(6) . . ?
O6 C15 O5 121.2(7) . . ?
O6 C15 C10 120.2(7) . . ?
O5 C15 C10 118.5(7) . . ?
O6 C15 Tb3 61.2(4) . . ?
O5 C15 Tb3 60.2(4) . . ?
C10 C15 Tb3 174.7(6) . . ?
C17 C16 C21 120.6(7) . . ?
C17 C16 C28 119.7(6) . . ?
C21 C16 C28 119.6(6) . . ?
C16 C17 C18 119.1(7) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C19 C18 C17 119.8(7) . . ?
C19 C18 C29 119.6(6) . . ?
C17 C18 C29 120.5(6) . . ?
C18 C19 C20 121.5(7) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C21 C20 C19 117.7(7) . . ?
C21 C20 C22 121.2(7) . . ?
C19 C20 C22 120.9(7) . . ?
C16 C21 C20 121.3(7) . . ?
C16 C21 H21 119.4 . . ?
C20 C21 H21 119.3 . . ?
C23 C22 C27 118.9(8) . . ?
C23 C22 C20 120.3(7) . . ?
C27 C22 C20 120.7(8) . . ?
C22 C23 C24 120.3(8) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C25 C24 C23 121.4(9) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 118.1(8) . . ?
C24 C25 C30 120.8(8) . . ?
C26 C25 C30 121.0(7) . . ?
C27 C26 C25 121.3(8) . . ?
C27 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
C26 C27 C22 119.9(9) . . ?
C26 C27 H27 120.1 . . ?
C22 C27 H27 120.1 . . ?
O7 C28 O8 122.0(7) . . ?
O7 C28 C16 119.2(6) . . ?
O8 C28 C16 118.7(6) . . ?
O7 C28 Tb2 61.9(4) . . ?
O8 C28 Tb2 60.6(4) . . ?
C16 C28 Tb2 173.6(5) . . ?
O9 C29 O10 126.2(7) . . ?
O9 C29 C18 117.0(7) . . ?
O10 C29 C18 116.7(6) . . ?
O12 C30 O11 125.2(8) . . ?
O12 C30 C25 116.7(7) . . ?
O11 C30 C25 118.0(7) . . ?
C36 C31 C32 118.2(7) . . ?
C36 C31 C43 121.1(7) . . ?
C32 C31 C43 120.7(6) . . ?
C33 C32 C31 120.7(7) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 119.9(7) . . ?
C32 C33 C44 121.2(7) . . ?
C34 C33 C44 118.8(7) . . ?
C33 C34 C35 120.7(7) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
C36 C35 C34 118.5(7) . . ?
C36 C35 C37 121.3(7) . . ?
C34 C35 C37 120.1(7) . . ?
C35 C36 C31 121.9(7) . . ?
C35 C36 H36 119.1 . . ?
C31 C36 H36 119.1 . . ?
C42 C37 C38 118.8(7) . . ?
C42 C37 C35 122.7(7) . . ?
C38 C37 C35 118.5(7) . . ?
C39 C38 C37 119.3(8) . . ?
C39 C38 H38 120.3 . . ?
C37 C38 H38 120.3 . . ?
C38 C39 C40 120.1(8) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C41 C40 C39 119.8(7) . . ?
C41 C40 C45 122.4(7) . . ?
C39 C40 C45 117.8(7) . . ?
C40 C41 C42 120.0(9) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C37 C42 C41 121.9(9) . . ?
C37 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
O14 C43 O13 125.0(7) . . ?
O14 C43 C31 118.5(7) . . ?
O13 C43 C31 116.5(6) . . ?
O15 C44 O16 120.7(7) . . ?
O15 C44 C33 120.1(7) . . ?
O16 C44 C33 119.1(7) . . ?
O15 C44 Tb4 59.7(4) . 2_494 ?
O16 C44 Tb4 61.0(4) . 2_494 ?
C33 C44 Tb4 177.8(6) . 2_494 ?
O18 C45 O17 123.3(7) . . ?
O18 C45 C40 119.0(7) . . ?
O17 C45 C40 117.6(7) . . ?
C47 C46 C51 119.7(7) . . ?
C47 C46 C58 118.7(6) . . ?
C51 C46 C58 121.6(7) . . ?
C48 C47 C46 120.6(7) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C49 C48 C47 118.8(7) . . ?
C49 C48 C59 121.4(6) . . ?
C47 C48 C59 119.8(6) . . ?
C50 C49 C48 122.1(7) . . ?
C50 C49 H49 118.9 . . ?
C48 C49 H49 118.9 . . ?
C49 C50 C51 118.8(7) . . ?
C49 C50 C52 121.0(7) . . ?
C51 C50 C52 120.1(7) . . ?
C46 C51 C50 120.0(7) . . ?
C46 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C57 C52 C53 117.7(7) . . ?
C57 C52 C50 121.1(7) . . ?
C53 C52 C50 121.2(7) . . ?
C52 C53 C54 121.2(8) . . ?
C52 C53 H53 119.4 . . ?
C54 C53 H53 119.4 . . ?
C53 C54 C55 120.1(8) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C56 C55 C54 118.0(7) . . ?
C56 C55 C60 121.3(8) . . ?
C54 C55 C60 120.7(8) . . ?
C55 C56 C57 122.4(8) . . ?
C55 C56 H56 118.8 . . ?
C57 C56 H56 118.8 . . ?
C56 C57 C52 120.6(8) . . ?
C56 C57 H57 119.7 . . ?
C52 C57 H57 119.7 . . ?
O20 C58 O19 123.7(7) . . ?
O20 C58 C46 117.5(6) . . ?
O19 C58 C46 118.9(7) . . ?
O21 C59 O22 123.7(7) . . ?
O21 C59 C48 118.6(6) . . ?
O22 C59 C48 117.7(6) . . ?
O23 C60 O24 121.7(7) . . ?
O23 C60 C55 119.3(8) . . ?
O24 C60 C55 119.0(8) . . ?
O23 C60 Tb1 61.5(4) . . ?
O24 C60 Tb1 60.4(4) . . ?
C55 C60 Tb1 175.4(6) . . ?
C61 N1 C62 121.8(17) . . ?
C61 N1 C63 116.6(15) . . ?
C62 N1 C63 119.5(17) . . ?
C64 N2 C66 119.7(13) . . ?
C64 N2 C65 119.2(13) . . ?
C66 N2 C65 121.0(13) . . ?
O27 C61 N1 130(2) . . ?
O27 C61 H61 114.8 . . ?
N1 C61 H61 114.9 . . ?
N1 C62 H62A 109.5 . . ?
N1 C62 H62B 109.4 . . ?
H62A C62 H62B 109.5 . . ?
N1 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1 C63 H63A 109.5 . . ?
N1 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N1 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O30 C64 N2 123.7(14) . . ?
O30 C64 H64 118.2 . . ?
N2 C64 H64 118.2 . . ?
N2 C65 H65A 109.5 . . ?
N2 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N2 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N2 C66 H66A 109.5 . . ?
N2 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N2 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C67 N3 C69 124.0(11) . . ?
C67 N3 C68 117.0(11) . . ?
C69 N3 C68 118.9(11) . . ?
O35 C67 N3 123.7(12) . . ?
O35 C67 H67 118.1 . . ?
N3 C67 H67 118.1 . . ?
N3 C68 H68A 109.5 . . ?
N3 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N3 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N3 C69 H69A 109.5 . . ?
N3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 N4 C72 118.5(11) . . ?
C70 N4 C71 121.8(11) . . ?
C72 N4 C71 119.7(11) . . ?
O36 C70 N4 126.3(13) . . ?
O36 C70 H70 116.8 . . ?
N4 C70 H70 116.8 . . ?
N4 C71 H71A 109.5 . . ?
N4 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N4 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N4 C72 H72A 109.5 . . ?
N4 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N4 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 N5 C75 120.4(10) . . ?
C73 N5 C74 120.9(10) . . ?
C75 N5 C74 118.7(11) . . ?
O37 C73 N5 125.0(12) . . ?
O37 C73 H73 117.5 . . ?
N5 C73 H73 117.5 . . ?
N5 C74 H74A 109.5 . . ?
N5 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N5 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N5 C75 H75A 109.5 . . ?
N5 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
N5 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 N6 C77 130(3) . . ?
C76 N6 C78 101(2) . . ?
C77 N6 C78 129(3) . . ?
O38 C76 N6 106(2) . . ?
O38 C76 H76 127.1 . . ?
N6 C76 H76 127.1 . . ?
N6 C77 H77A 109.5 . . ?
N6 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
N6 C77 H77C 109.4 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N6 C78 H78A 109.5 . . ?
N6 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
N6 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C79 N7 C81 106(3) . . ?
C79 N7 C80 115(3) . . ?
C81 N7 C80 133(3) . . ?
O39 C79 N7 128(3) . . ?
O39 C79 H79 116.3 . . ?
N7 C79 H79 116.2 . . ?
N7 C80 H80A 109.4 . . ?
N7 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
N7 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N7 C81 H81A 109.4 . . ?
N7 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N7 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O25 H25B O18 1.03(2) 1.86(18) 2.659(9) 132(18) 2_494
O28 H28A O8 0.99(2) 2.03(14) 2.899(8) 145(19) 2_484
O28 H28A O3 0.99(2) 2.50(4) 3.092(8) 118(2) 2_484
O28 H28B O18 1.00(2) 1.97(12) 2.705(9) 129(11) .
O29 H29B O37 1.010(19) 1.86(7) 2.844(11) 163(20) 2_575
O31 H31B O11 1.02(3) 1.86(12) 2.845(9) 159(23) .
O32 H32A O3W 1.00(2) 2.08(14) 2.95(2) 143(19) 2_575
O32 H32B O38 1.01(2) 1.79(3) 2.726(18) 153(5) 2_575
O33 H33B O2W 1.01(2) 1.99(18) 2.790(15) 135(20) 2_575
O34 H34B O35 1.06(6) 1.77(9) 2.825(10) 173(22) 1_465

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.820
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.172
####################################################################### 
# 
# 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_trf
_database_code_depnum_ccdc_archive 'CCDC 1028536'
_audit_update_record             
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C81 H99 Eu3 N7 O42 Tb'
_chemical_formula_sum            'C81 H99 Eu3 N7 O42 Tb'
_chemical_formula_weight         2457.47

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.013(3)
_cell_length_b                   13.846(3)
_cell_length_c                   28.029(6)
_cell_angle_alpha                75.71(3)
_cell_angle_beta                 79.28(3)
_cell_angle_gamma                85.59(3)
_cell_volume                     4806.1(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16888
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2448
_exptl_absorpt_coefficient_mu    2.750
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4814
_exptl_absorpt_correction_T_max  0.5550
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            27329
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             16888
_reflns_number_gt                13306
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0634P)²+1.8531P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16888
_refine_ls_number_parameters     1075
_refine_ls_number_restraints     47
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1205
_refine_ls_wR_factor_gt          0.1128
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.003
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu -0.11955(2) 2.02113(2) -0.445875(10) 0.02032(9) Uani 0.75 1 d PD . .
Eu2 Eu -0.52842(3) 1.53808(2) -0.584871(11) 0.02269(9) Uani 0.75 1 d PD . .
Eu3 Eu 0.03064(2) 1.87534(2) -0.939400(10) 0.01987(9) Uani 0.75 1 d PD . .
Eu4 Eu -0.48279(3) 1.48092(2) -0.085903(11) 0.02153(9) Uani 0.75 1 d PD . .
Tb1 Tb -0.11955(2) 2.02113(2) -0.445875(10) 0.02032(9) Uani 0.25 1 d P . .
Tb2 Tb -0.52842(3) 1.53808(2) -0.584871(11) 0.02269(9) Uani 0.25 1 d P . .
Tb3 Tb 0.03064(2) 1.87534(2) -0.939400(10) 0.01987(9) Uani 0.25 1 d P . .
Tb4 Tb -0.48279(3) 1.48092(2) -0.085903(11) 0.02153(9) Uani 0.25 1 d P . .
O1 O -0.0553(4) 1.9321(3) -0.52760(16) 0.0317(11) Uani 1 1 d . . .
O2 O -0.2011(4) 1.8989(3) -0.47385(17) 0.0346(11) Uani 1 1 d . . .
O3 O -0.4000(4) 1.5671(4) -0.54318(19) 0.0445(13) Uani 1 1 d . . .
O4 O -0.3754(4) 1.5906(3) -0.47102(17) 0.0390(12) Uani 1 1 d . . .
O5 O 0.0447(4) 1.8889(4) -0.85517(18) 0.0502(15) Uani 1 1 d . . .
O6 O -0.0695(5) 1.7859(4) -0.85899(16) 0.0420(13) Uani 1 1 d . . .
O7 O -0.3602(4) 1.5170(3) -0.64190(17) 0.0357(12) Uani 1 1 d . . .
O8 O -0.4043(4) 1.3919(3) -0.57651(17) 0.0318(11) Uani 1 1 d . . .
O9 O -0.1312(4) 1.1353(3) -0.52387(16) 0.0346(12) Uani 1 1 d . . .
O10 O 0.0188(4) 1.1269(3) -0.57781(16) 0.0319(11) Uani 1 1 d . . .
O11 O 0.2594(4) 1.6596(4) -0.8528(2) 0.0487(14) Uani 1 1 d . . .
O12 O 0.3246(4) 1.5082(3) -0.85869(18) 0.0419(13) Uani 1 1 d . . .
O13 O -0.1108(4) 1.9842(3) -0.92247(17) 0.0364(12) Uani 1 1 d . . .
O14 O -0.1236(4) 2.1275(3) -0.97834(16) 0.0321(11) Uani 1 1 d . . .
O15 O -0.4960(4) 2.3508(3) -0.86176(17) 0.0419(13) Uani 1 1 d . . .
O16 O -0.3871(4) 2.3867(3) -0.93314(15) 0.0302(11) Uani 1 1 d . . .
O17 O -0.5092(4) 1.6945(3) -0.63686(18) 0.0424(13) Uani 1 1 d . . .
O18 O -0.5567(6) 1.8150(4) -0.5969(2) 0.070(2) Uani 1 1 d . . .
O19 O -0.4018(4) 1.5720(3) -0.04495(18) 0.0385(12) Uani 1 1 d . . .
O20 O -0.3887(4) 1.6071(4) 0.02570(17) 0.0388(12) Uani 1 1 d . . .
O21 O -0.0984(4) 1.9676(3) -0.03301(17) 0.0364(12) Uani 1 1 d . . .
O22 O -0.1074(4) 1.8269(3) 0.02565(17) 0.0368(12) Uani 1 1 d . . .
O23 O -0.2204(4) 1.9355(5) -0.36426(18) 0.0557(16) Uani 1 1 d . . .
O24 O -0.0871(5) 2.0179(4) -0.36136(16) 0.0433(14) Uani 1 1 d . . .
O25 O -0.3081(5) 2.0606(5) -0.4442(3) 0.0685(18) Uani 1 1 d D . .
O26 O -0.1436(6) 2.1884(4) -0.4314(2) 0.0612(18) Uani 1 1 d D . .
O27 O -0.5710(5) 1.4627(5) -0.6446(2) 0.0641(18) Uani 1 1 d . . .
O28 O -0.6104(5) 1.6435(4) -0.52769(18) 0.0456(14) Uani 1 1 d D . .
O29 O -0.7136(4) 1.5816(4) -0.5930(2) 0.0450(13) Uani 1 1 d D . .
O30 O 0.0580(5) 1.6993(4) -0.9361(2) 0.0527(15) Uani 1 1 d . . .
O31 O 0.2124(4) 1.8326(4) -0.9258(2) 0.0513(14) Uani 1 1 d D . .
O32 O -0.6229(6) 1.4762(5) -0.1331(2) 0.077(2) Uani 1 1 d D . .
O33 O -0.4632(4) 1.3217(4) -0.1102(2) 0.0486(14) Uani 1 1 d D . .
O34 O -0.3825(4) 1.3621(3) -0.02946(17) 0.0384(12) Uani 1 1 d D . .
C1 C -0.1755(5) 1.8228(5) -0.5424(2) 0.0249(14) Uani 1 1 d . . .
C2 C -0.2492(5) 1.7522(4) -0.5183(2) 0.0242(14) Uani 1 1 d . . .
H2 H -0.2748 1.7443 -0.4843 0.029 Uiso 1 1 calc R . .
C3 C -0.2852(5) 1.6931(4) -0.5447(2) 0.0228(13) Uani 1 1 d . . .
C4 C -0.2470(6) 1.7052(5) -0.5954(2) 0.0286(15) Uani 1 1 d . . .
H4 H -0.2721 1.6661 -0.6131 0.034 Uiso 1 1 calc R . .
C5 C -0.1706(5) 1.7764(5) -0.6207(2) 0.0267(15) Uani 1 1 d . . .
C6 C -0.1349(5) 1.8334(5) -0.5931(2) 0.0271(15) Uani 1 1 d . . .
H6 H -0.0833 1.8793 -0.6085 0.033 Uiso 1 1 calc R . .
C7 C -0.1328(6) 1.7884(5) -0.6756(2) 0.0305(16) Uani 1 1 d . . .
C8 C -0.0380(7) 1.8321(7) -0.6983(3) 0.058(3) Uani 1 1 d . . .
H8 H 0.0031 1.8534 -0.6793 0.070 Uiso 1 1 calc R . .
C9 C -0.0047(7) 1.8440(7) -0.7494(3) 0.055(2) Uani 1 1 d . . .
H9 H 0.0592 1.8729 -0.7641 0.066 Uiso 1 1 calc R . .
C10 C -0.0633(6) 1.8145(5) -0.7787(2) 0.0302(15) Uani 1 1 d . . .
C11 C -0.1529(7) 1.7640(6) -0.7555(3) 0.046(2) Uani 1 1 d . . .
H11 H -0.1913 1.7383 -0.7742 0.055 Uiso 1 1 calc R . .
C12 C -0.1860(6) 1.7512(6) -0.7046(3) 0.048(2) Uani 1 1 d . . .
H12 H -0.2464 1.7163 -0.6895 0.057 Uiso 1 1 calc R . .
C13 C -0.1408(5) 1.8883(5) -0.5133(2) 0.0274(15) Uani 1 1 d . . .
C14 C -0.3605(5) 1.6118(4) -0.5177(3) 0.0286(15) Uani 1 1 d . . .
C15 C -0.0268(6) 1.8309(5) -0.8344(2) 0.0326(16) Uani 1 1 d . . .
C16 C -0.2338(5) 1.3838(5) -0.6252(2) 0.0273(15) Uani 1 1 d . . .
C17 C -0.2044(5) 1.2999(5) -0.5918(2) 0.0284(15) Uani 1 1 d . . .
H17 H -0.2496 1.2740 -0.5622 0.034 Uiso 1 1 calc R . .
C18 C -0.1061(6) 1.2537(5) -0.6026(2) 0.0310(16) Uani 1 1 d . . .
C19 C -0.0391(6) 1.2938(5) -0.6464(2) 0.0319(16) Uani 1 1 d . . .
H19 H 0.0257 1.2624 -0.6535 0.038 Uiso 1 1 calc R . .
C20 C -0.0659(6) 1.3795(5) -0.6801(2) 0.0334(16) Uani 1 1 d . . .
C21 C -0.1641(6) 1.4233(5) -0.6687(2) 0.0351(17) Uani 1 1 d . . .
H21 H -0.1839 1.4807 -0.6907 0.042 Uiso 1 1 calc R . .
C22 C 0.0103(6) 1.4274(5) -0.7241(2) 0.0355(17) Uani 1 1 d . . .
C23 C 0.0168(7) 1.5297(6) -0.7400(3) 0.051(2) Uani 1 1 d . . .
H23 H -0.0321 1.5695 -0.7242 0.061 Uiso 1 1 calc R . .
C24 C 0.0936(7) 1.5755(6) -0.7785(3) 0.051(2) Uani 1 1 d . . .
H24 H 0.0963 1.6447 -0.7880 0.061 Uiso 1 1 calc R . .
C25 C 0.1665(6) 1.5168(5) -0.8028(3) 0.0389(18) Uani 1 1 d . . .
C26 C 0.1594(6) 1.4160(5) -0.7888(3) 0.0377(18) Uani 1 1 d . . .
H26 H 0.2071 1.3766 -0.8054 0.045 Uiso 1 1 calc R . .
C27 C 0.0818(6) 1.3707(5) -0.7500(3) 0.0416(19) Uani 1 1 d . . .
H27 H 0.0780 1.3016 -0.7414 0.050 Uiso 1 1 calc R . .
C28 C -0.3391(6) 1.4328(5) -0.6142(2) 0.0290(15) Uani 1 1 d . . .
C29 C -0.0705(6) 1.1644(5) -0.5646(2) 0.0287(15) Uani 1 1 d . . .
C30 C 0.2557(6) 1.5656(5) -0.8412(2) 0.0361(17) Uani 1 1 d . . .
C31 C -0.2390(5) 2.1030(4) -0.8998(2) 0.0271(15) Uani 1 1 d . . .
C32 C -0.2855(5) 2.1972(4) -0.9122(2) 0.0269(15) Uani 1 1 d . . .
H32 H -0.2618 2.2406 -0.9427 0.032 Uiso 1 1 calc R . .
C33 C -0.3675(5) 2.2265(5) -0.8789(2) 0.0273(15) Uani 1 1 d . . .
C34 C -0.4026(6) 2.1614(5) -0.8340(3) 0.0341(17) Uani 1 1 d . . .
H34 H -0.4583 2.1813 -0.8121 0.041 Uiso 1 1 calc R . .
C35 C -0.3573(6) 2.0670(5) -0.8206(2) 0.0310(16) Uani 1 1 d . . .
C36 C -0.2734(6) 2.0382(5) -0.8543(2) 0.0321(16) Uani 1 1 d . . .
H36 H -0.2409 1.9756 -0.8459 0.039 Uiso 1 1 calc R . .
C37 C -0.3991(6) 1.9955(5) -0.7725(2) 0.0325(16) Uani 1 1 d . . .
C38 C -0.4014(7) 1.8957(5) -0.7704(3) 0.042(2) Uani 1 1 d . . .
H38 H -0.3760 1.8726 -0.7989 0.051 Uiso 1 1 calc R . .
C39 C -0.4411(7) 1.8284(5) -0.7261(3) 0.042(2) Uani 1 1 d . . .
H39 H -0.4412 1.7609 -0.7255 0.051 Uiso 1 1 calc R . .
C40 C -0.4800(6) 1.8598(5) -0.6834(2) 0.0344(17) Uani 1 1 d . . .
C41 C -0.4800(7) 1.9599(5) -0.6847(3) 0.053(2) Uani 1 1 d . . .
H41 H -0.5073 1.9829 -0.6562 0.064 Uiso 1 1 calc R . .
C42 C -0.4385(8) 2.0269(5) -0.7291(3) 0.055(3) Uani 1 1 d . . .
H42 H -0.4373 2.0942 -0.7296 0.066 Uiso 1 1 calc R . .
C43 C -0.1518(5) 2.0683(4) -0.9364(2) 0.0247(14) Uani 1 1 d . . .
C44 C -0.4203(6) 2.3279(5) -0.8920(2) 0.0290(15) Uani 1 1 d . . .
C45 C -0.5196(6) 1.7848(5) -0.6351(3) 0.0393(19) Uani 1 1 d . . .
C46 C -0.3005(5) 1.7082(4) -0.0478(2) 0.0205(13) Uani 1 1 d . . .
C47 C -0.2471(5) 1.7529(4) -0.0207(2) 0.0240(14) Uani 1 1 d . . .
H47 H -0.2528 1.7283 0.0137 0.029 Uiso 1 1 calc R . .
C48 C -0.1853(5) 1.8344(4) -0.0449(2) 0.0253(14) Uani 1 1 d . . .
C49 C -0.1764(5) 1.8692(5) -0.0959(2) 0.0282(15) Uani 1 1 d . . .
H49 H -0.1371 1.9251 -0.1118 0.034 Uiso 1 1 calc R . .
C50 C -0.2246(5) 1.8229(5) -0.1242(2) 0.0281(15) Uani 1 1 d . . .
C51 C -0.2869(5) 1.7420(4) -0.1001(2) 0.0258(14) Uani 1 1 d . . .
H51 H -0.3197 1.7103 -0.1185 0.031 Uiso 1 1 calc R . .
C52 C -0.2090(6) 1.8583(5) -0.1796(2) 0.0327(16) Uani 1 1 d . . .
C53 C -0.2862(6) 1.8508(6) -0.2065(2) 0.0422(19) Uani 1 1 d . . .
H53 H -0.3498 1.8238 -0.1895 0.051 Uiso 1 1 calc R . .
C54 C -0.2710(6) 1.8823(6) -0.2581(3) 0.044(2) Uani 1 1 d . . .
H54 H -0.3239 1.8757 -0.2752 0.053 Uiso 1 1 calc R . .
C55 C -0.1779(6) 1.9235(5) -0.2844(2) 0.0314(16) Uani 1 1 d . . .
C56 C -0.1000(6) 1.9310(5) -0.2586(3) 0.0394(18) Uani 1 1 d . . .
H56 H -0.0365 1.9579 -0.2759 0.047 Uiso 1 1 calc R . .
C57 C -0.1152(6) 1.8988(6) -0.2068(2) 0.0414(19) Uani 1 1 d . . .
H57 H -0.0615 1.9044 -0.1900 0.050 Uiso 1 1 calc R . .
C58 C -0.3692(5) 1.6239(4) -0.0208(2) 0.0218(13) Uani 1 1 d . . .
C59 C -0.1269(5) 1.8800(5) -0.0149(2) 0.0266(15) Uani 1 1 d . . .
C60 C -0.1608(6) 1.9614(5) -0.3404(2) 0.0325(16) Uani 1 1 d . . .
N1 N -0.6224(11) 1.3740(10) -0.6915(5) 0.119(4) Uiso 1 1 d . . .
N2 N 0.1083(8) 1.5676(7) -0.9728(4) 0.085(3) Uiso 1 1 d . . .
C61 C -0.563(2) 1.4291(17) -0.6746(9) 0.206(10) Uiso 1 1 d . . .
H61 H -0.4980 1.4403 -0.6951 0.247 Uiso 1 1 calc R . .
C62 C -0.708(2) 1.3174(18) -0.6616(9) 0.249(13) Uiso 1 1 d . . .
H62A H -0.7374 1.2830 -0.6816 0.373 Uiso 1 1 calc R . .
H62B H -0.7611 1.3613 -0.6487 0.373 Uiso 1 1 calc R . .
H62C H -0.6849 1.2698 -0.6343 0.373 Uiso 1 1 calc R . .
C63 C -0.5706(18) 1.3525(15) -0.7414(8) 0.195(9) Uiso 1 1 d . . .
H63A H -0.6146 1.3111 -0.7513 0.293 Uiso 1 1 calc R . .
H63B H -0.5041 1.3187 -0.7380 0.293 Uiso 1 1 calc R . .
H63C H -0.5604 1.4141 -0.7663 0.293 Uiso 1 1 calc R . .
C64 C 0.0755(9) 1.6604(9) -0.9741(5) 0.081(3) Uiso 1 1 d . . .
H64 H 0.0642 1.7007 -1.0047 0.098 Uiso 1 1 calc R . .
C65 C 0.1390(11) 1.5332(10) -1.0197(5) 0.112(5) Uiso 1 1 d . . .
H65A H 0.1599 1.4639 -1.0119 0.168 Uiso 1 1 calc R . .
H65B H 0.1963 1.5713 -1.0405 0.168 Uiso 1 1 calc R . .
H65C H 0.0806 1.5422 -1.0370 0.168 Uiso 1 1 calc R . .
C66 C 0.1126(13) 1.5024(11) -0.9236(6) 0.133(6) Uiso 1 1 d . . .
H66A H 0.1366 1.4368 -0.9272 0.200 Uiso 1 1 calc R . .
H66B H 0.0440 1.4991 -0.9035 0.200 Uiso 1 1 calc R . .
H66C H 0.1599 1.5284 -0.9078 0.200 Uiso 1 1 calc R . .
O35 O 0.6025(5) 0.1540(5) -0.0042(2) 0.0645(17) Uiso 1 1 d . . .
N3 N 0.5449(6) 0.0185(5) 0.0562(3) 0.0511(17) Uiso 1 1 d . . .
C67 C 0.5402(9) 0.1128(8) 0.0337(4) 0.074(3) Uiso 1 1 d . . .
H67 H 0.4866 0.1523 0.0468 0.088 Uiso 1 1 calc R . .
C68 C 0.4660(12) -0.0189(10) 0.0994(5) 0.114(5) Uiso 1 1 d . . .
H68A H 0.4796 -0.0887 0.1124 0.172 Uiso 1 1 calc R . .
H68B H 0.3982 -0.0093 0.0898 0.172 Uiso 1 1 calc R . .
H68C H 0.4679 0.0165 0.1246 0.172 Uiso 1 1 calc R . .
C69 C 0.6257(10) -0.0479(9) 0.0428(5) 0.099(4) Uiso 1 1 d . . .
H69A H 0.6139 -0.1129 0.0646 0.149 Uiso 1 1 calc R . .
H69B H 0.6915 -0.0249 0.0457 0.149 Uiso 1 1 calc R . .
H69C H 0.6271 -0.0514 0.0089 0.149 Uiso 1 1 calc R . .
O36 O 0.2188(6) 0.7487(5) 0.3448(3) 0.0727(19) Uiso 1 1 d . . .
N4 N 0.2867(6) 0.7732(6) 0.2632(3) 0.062(2) Uiso 1 1 d . . .
C70 C 0.2414(9) 0.8034(8) 0.3025(4) 0.073(3) Uiso 1 1 d . . .
H70 H 0.2246 0.8711 0.2986 0.088 Uiso 1 1 calc R . .
C71 C 0.3055(10) 0.8431(9) 0.2145(4) 0.094(4) Uiso 1 1 d . . .
H71A H 0.3398 0.8086 0.1898 0.140 Uiso 1 1 calc R . .
H71B H 0.3492 0.8949 0.2158 0.140 Uiso 1 1 calc R . .
H71C H 0.2400 0.8719 0.2058 0.140 Uiso 1 1 calc R . .
C72 C 0.3216(10) 0.6691(8) 0.2685(4) 0.088(3) Uiso 1 1 d . . .
H72A H 0.3536 0.6585 0.2364 0.132 Uiso 1 1 calc R . .
H72B H 0.2626 0.6271 0.2818 0.132 Uiso 1 1 calc R . .
H72C H 0.3715 0.6532 0.2907 0.132 Uiso 1 1 calc R . .
O37 O 0.8660(6) 0.3873(5) 0.5106(3) 0.0724(19) Uiso 1 1 d . . .
N5 N 0.9855(6) 0.4534(5) 0.4437(3) 0.0522(18) Uiso 1 1 d . . .
C73 C 0.8909(8) 0.4499(7) 0.4714(4) 0.066(3) Uiso 1 1 d . . .
H73 H 0.8407 0.4976 0.4605 0.079 Uiso 1 1 calc R . .
C74 C 1.0062(10) 0.5340(9) 0.4001(4) 0.095(4) Uiso 1 1 d . . .
H74A H 1.0773 0.5281 0.3838 0.143 Uiso 1 1 calc R . .
H74B H 0.9953 0.5964 0.4098 0.143 Uiso 1 1 calc R . .
H74C H 0.9597 0.5315 0.3776 0.143 Uiso 1 1 calc R . .
C75 C 1.0631(10) 0.3827(8) 0.4572(4) 0.085(3) Uiso 1 1 d . . .
H75A H 1.1262 0.3972 0.4331 0.128 Uiso 1 1 calc R . .
H75B H 1.0407 0.3177 0.4582 0.128 Uiso 1 1 calc R . .
H75C H 1.0760 0.3843 0.4896 0.128 Uiso 1 1 calc R . .
O38 O 0.7075(14) 0.4163(13) 0.2111(6) 0.222(7) Uiso 1 1 d . . .
N6 N 0.810(3) 0.253(2) 0.2251(12) 0.326(15) Uiso 1 1 d D . .
C76 C 0.731(2) 0.311(2) 0.2452(12) 0.261(14) Uiso 1 1 d D . .
H76 H 0.6930 0.2887 0.2773 0.313 Uiso 1 1 calc R . .
C77 C 0.860(3) 0.297(3) 0.1769(12) 0.36(2) Uiso 1 1 d D . .
H77A H 0.9148 0.2527 0.1661 0.539 Uiso 1 1 calc R . .
H77B H 0.8891 0.3583 0.1771 0.539 Uiso 1 1 calc R . .
H77C H 0.8103 0.3101 0.1545 0.539 Uiso 1 1 calc R . .
C78 C 0.807(3) 0.171(2) 0.2677(12) 0.321(18) Uiso 1 1 d D . .
H78A H 0.8605 0.1219 0.2605 0.482 Uiso 1 1 calc R . .
H78B H 0.7398 0.1408 0.2755 0.482 Uiso 1 1 calc R . .
H78C H 0.8189 0.1938 0.2957 0.482 Uiso 1 1 calc R . .
O39 O 0.6075(17) 0.2054(15) 0.3353(8) 0.261(8) Uiso 1 1 d D . .
N7 N 0.559(3) 0.106(3) 0.4299(14) 0.50(3) Uiso 1 1 d D . .
C79 C 0.540(3) 0.178(3) 0.3842(12) 0.41(3) Uiso 1 1 d D . .
H79 H 0.4757 0.2116 0.3866 0.496 Uiso 1 1 calc R . .
C80 C 0.532(3) 0.144(2) 0.4734(12) 0.326(18) Uiso 1 1 d D . .
H80A H 0.4743 0.1908 0.4701 0.490 Uiso 1 1 calc R . .
H80B H 0.5915 0.1768 0.4775 0.490 Uiso 1 1 calc R . .
H80C H 0.5139 0.0901 0.5021 0.490 Uiso 1 1 calc R . .
C81 C 0.655(2) 0.054(2) 0.4139(10) 0.252(13) Uiso 1 1 d D . .
H81A H 0.6589 0.0509 0.3798 0.378 Uiso 1 1 calc R . .
H81B H 0.6566 -0.0121 0.4348 0.378 Uiso 1 1 calc R . .
H81C H 0.7136 0.0896 0.4165 0.378 Uiso 1 1 calc R . .
O1W O 0.6457(8) 0.5788(7) 0.2517(4) 0.119(3) Uiso 1 1 d . . .
O2W O 0.5927(8) 0.7207(7) 0.1687(4) 0.122(3) Uiso 1 1 d . . .
O3W O 0.7813(13) 0.6872(11) 0.1122(6) 0.217(6) Uiso 1 1 d . . .
H25A H -0.364(3) 2.013(6) -0.444(9) 0.326 Uiso 1 1 d D . .
H25B H -0.348(4) 2.124(7) -0.439(9) 0.326 Uiso 1 1 d D . .
H26A H -0.193(14) 2.213(4) -0.404(5) 0.326 Uiso 1 1 d D . .
H26B H -0.112(15) 2.253(3) -0.453(5) 0.326 Uiso 1 1 d D . .
H28A H -0.612(14) 1.620(7) -0.4908(11) 0.326 Uiso 1 1 d D . .
H28B H -0.682(7) 1.676(12) -0.531(5) 0.326 Uiso 1 1 d D . .
H29A H -0.742(4) 1.645(6) -0.613(7) 0.326 Uiso 1 1 d D . .
H29B H -0.772(4) 1.534(3) -0.587(8) 0.326 Uiso 1 1 d D . .
H31A H 0.277(3) 1.871(8) -0.944(6) 0.326 Uiso 1 1 d D . .
H31B H 0.242(4) 1.765(5) -0.910(7) 0.326 Uiso 1 1 d D . .
H32A H -0.6987(15) 1.483(16) -0.120(3) 0.326 Uiso 1 1 d D . .
H32B H -0.617(6) 1.437(13) -0.159(6) 0.326 Uiso 1 1 d D . .
H33A H -0.395(6) 1.282(8) -0.110(8) 0.326 Uiso 1 1 d D . .
H33B H -0.493(14) 1.312(6) -0.139(5) 0.326 Uiso 1 1 d D . .
H34A H -0.366(16) 1.367(9) 0.004(4) 0.326 Uiso 1 1 d D . .
H34B H -0.346(16) 1.297(9) -0.034(4) 0.326 Uiso 1 1 d D . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.348(5) 2_594 ?
Eu1 O10 2.366(4) 2_584 ?
Eu1 O9 2.383(4) 1_565 ?
Eu1 O2 2.418(4) . ?
Eu1 O26 2.435(5) . ?
Eu1 O25 2.467(6) . ?
Eu1 O24 2.472(5) . ?
Eu1 O23 2.479(5) . ?
Eu1 C60 2.824(6) . ?
Eu1 O1 2.827(5) . ?
Eu1 C13 3.002(6) . ?
Eu1 Tb1 4.0390(15) 2_594 ?
Eu2 O17 2.295(4) . ?
Eu2 O3 2.320(5) . ?
Eu2 O4 2.331(4) 2_484 ?
Eu2 O27 2.344(6) . ?
Eu2 O28 2.473(5) . ?
Eu2 O29 2.477(5) . ?
Eu2 O8 2.483(5) . ?
Eu2 O7 2.502(5) . ?
Eu2 C28 2.855(7) . ?
Eu2 C14 3.261(6) 2_484 ?
Eu3 O21 2.306(4) 2_594 ?
Eu3 O13 2.342(5) . ?
Eu3 O14 2.404(4) 2_593 ?
Eu3 O22 2.408(5) 1_554 ?
Eu3 O30 2.418(5) . ?
Eu3 O5 2.455(5) . ?
Eu3 O6 2.468(5) . ?
Eu3 O31 2.469(6) . ?
Eu3 C15 2.822(7) . ?
Eu3 C59 3.194(7) 1_554 ?
Eu3 Eu3 4.3463(17) 2_593 ?
Eu4 O20 2.319(5) 2_485 ?
Eu4 O19 2.321(5) . ?
Eu4 O12 2.327(5) 2_584 ?
Eu4 O33 2.445(5) . ?
Eu4 O15 2.453(4) 2_494 ?
Eu4 O32 2.456(6) . ?
Eu4 O34 2.462(5) . ?
Eu4 O16 2.486(4) 2_494 ?
Eu4 C44 2.820(7) 2_494 ?
O1 C13 1.258(8) . ?
O1 Tb1 2.348(5) 2_594 ?
O1 Eu1 2.348(5) 2_594 ?
O2 C13 1.264(8) . ?
O3 C14 1.248(8) . ?
O4 C14 1.250(8) . ?
O4 Tb2 2.331(4) 2_484 ?
O4 Eu2 2.331(4) 2_484 ?
O5 C15 1.238(9) . ?
O6 C15 1.257(8) . ?
O7 C28 1.273(8) . ?
O8 C28 1.265(8) . ?
O9 C29 1.254(8) . ?
O9 Tb1 2.383(4) 1_545 ?
O9 Eu1 2.383(4) 1_545 ?
O10 C29 1.265(8) . ?
O10 Tb1 2.366(4) 2_584 ?
O10 Eu1 2.366(4) 2_584 ?
O11 C30 1.263(8) . ?
O12 C30 1.264(8) . ?
O12 Tb4 2.327(5) 2_584 ?
O12 Eu4 2.327(5) 2_584 ?
O13 C43 1.245(7) . ?
O14 C43 1.264(7) . ?
O14 Tb3 2.404(4) 2_593 ?
O14 Eu3 2.404(4) 2_593 ?
O15 C44 1.250(8) . ?
O15 Tb4 2.453(4) 2_494 ?
O15 Eu4 2.453(4) 2_494 ?
O16 C44 1.260(7) . ?
O16 Tb4 2.486(4) 2_494 ?
O16 Eu4 2.486(4) 2_494 ?
O17 C45 1.258(8) . ?
O18 C45 1.246(9) . ?
O19 C58 1.244(7) . ?
O20 C58 1.246(7) . ?
O20 Tb4 2.319(5) 2_485 ?
O20 Eu4 2.319(5) 2_485 ?
O21 C59 1.249(7) . ?
O21 Tb3 2.306(4) 2_594 ?
O21 Eu3 2.306(4) 2_594 ?
O22 C59 1.250(8) . ?
O22 Tb3 2.408(5) 1_556 ?
O22 Eu3 2.408(5) 1_556 ?
O23 C60 1.236(8) . ?
O24 C60 1.248(8) . ?
O25 H25A 1.017(18) . ?
O25 H25B 1.006(18) . ?
O26 H26A 1.019(18) . ?
O26 H26B 1.023(18) . ?
O27 C61 1.04(2) . ?
O28 H28A 1.00(2) . ?
O28 H28B 1.01(2) . ?
O29 H29A 1.011(19) . ?
O29 H29B 1.012(19) . ?
O30 C64 1.285(12) . ?
O31 H31A 1.014(19) . ?
O31 H31B 1.015(19) . ?
O32 H32A 0.99(2) . ?
O32 H32B 0.99(2) . ?
O33 H33A 1.00(2) . ?
O33 H33B 1.00(2) . ?
O34 H34A 1.012(17) . ?
O34 H34B 1.012(17) . ?
C1 C2 1.382(8) . ?
C1 C6 1.396(8) . ?
C1 C13 1.503(9) . ?
C2 C3 1.387(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.390(8) . ?
C3 C14 1.507(8) . ?
C4 C5 1.416(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(8) . ?
C5 C7 1.498(8) . ?
C6 H6 0.9300 . ?
C7 C12 1.368(10) . ?
C7 C8 1.387(10) . ?
C8 C9 1.389(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.367(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.374(10) . ?
C10 C15 1.511(9) . ?
C11 C12 1.384(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 Eu2 3.261(6) 2_484 ?
C16 C17 1.378(9) . ?
C16 C21 1.394(9) . ?
C16 C28 1.496(9) . ?
C17 C18 1.401(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.383(9) . ?
C18 C29 1.525(9) . ?
C19 C20 1.388(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(10) . ?
C20 C22 1.480(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(10) . ?
C22 C27 1.387(10) . ?
C23 C24 1.388(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.392(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.359(10) . ?
C25 C30 1.502(10) . ?
C26 C27 1.396(10) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C31 C36 1.385(9) . ?
C31 C32 1.386(9) . ?
C31 C43 1.515(9) . ?
C32 C33 1.386(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.377(9) . ?
C33 C44 1.505(9) . ?
C34 C35 1.385(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.406(9) . ?
C35 C37 1.497(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.371(9) . ?
C37 C42 1.388(10) . ?
C38 C39 1.393(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.370(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.378(10) . ?
C40 C45 1.519(9) . ?
C41 C42 1.401(10) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C44 Tb4 2.820(7) 2_494 ?
C44 Eu4 2.820(7) 2_494 ?
C46 C47 1.393(8) . ?
C46 C51 1.404(8) . ?
C46 C58 1.487(8) . ?
C47 C48 1.392(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.378(8) . ?
C48 C59 1.503(9) . ?
C49 C50 1.389(9) . ?
C49 H49 0.9300 . ?
C50 C51 1.390(8) . ?
C50 C52 1.489(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.388(10) . ?
C52 C57 1.391(10) . ?
C53 C54 1.384(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.379(10) . ?
C54 H54 0.9300 . ?
C55 C56 1.375(10) . ?
C55 C60 1.507(9) . ?
C56 C57 1.388(9) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C59 Eu3 3.194(7) 1_556 ?
N1 C61 1.34(2) . ?
N1 C62 1.43(2) . ?
N1 C63 1.52(2) . ?
N2 C64 1.318(13) . ?
N2 C66 1.456(16) . ?
N2 C65 1.482(15) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O35 C67 1.250(12) . ?
N3 C67 1.305(12) . ?
N3 C69 1.402(14) . ?
N3 C68 1.449(15) . ?
C67 H67 0.9300 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O36 C70 1.236(11) . ?
N4 C70 1.299(12) . ?
N4 C71 1.455(13) . ?
N4 C72 1.457(13) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O37 C73 1.226(11) . ?
N5 C73 1.325(12) . ?
N5 C75 1.389(13) . ?
N5 C74 1.436(13) . ?
C73 H73 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
O38 C76 1.58(3) . ?
N6 C76 1.379(18) . ?
N6 C77 1.397(18) . ?
N6 C78 1.427(18) . ?
C76 H76 0.9300 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
O39 C79 1.462(19) . ?
N7 C80 1.421(19) . ?
N7 C81 1.450(19) . ?
N7 C79 1.46(2) . ?
C79 H79 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O10 74.86(16) 2_594 2_584 ?
O1 Eu1 O9 79.38(17) 2_594 1_565 ?
O10 Eu1 O9 133.64(15) 2_584 1_565 ?
O1 Eu1 O2 125.28(16) 2_594 . ?
O10 Eu1 O2 76.36(17) 2_584 . ?
O9 Eu1 O2 88.49(17) 1_565 . ?
O1 Eu1 O26 82.6(2) 2_594 . ?
O10 Eu1 O26 139.3(2) 2_584 . ?
O9 Eu1 O26 72.13(17) 1_565 . ?
O2 Eu1 O26 143.0(2) . . ?
O1 Eu1 O25 150.2(2) 2_594 . ?
O10 Eu1 O25 134.5(2) 2_584 . ?
O9 Eu1 O25 74.7(2) 1_565 . ?
O2 Eu1 O25 68.96(19) . . ?
O26 Eu1 O25 75.6(2) . . ?
O1 Eu1 O24 84.89(17) 2_594 . ?
O10 Eu1 O24 74.42(17) 2_584 . ?
O9 Eu1 O24 140.59(16) 1_565 . ?
O2 Eu1 O24 129.39(16) . . ?
O26 Eu1 O24 70.14(18) . . ?
O25 Eu1 O24 106.0(2) . . ?
O1 Eu1 O23 133.35(17) 2_594 . ?
O10 Eu1 O23 76.60(19) 2_584 . ?
O9 Eu1 O23 144.69(19) 1_565 . ?
O2 Eu1 O23 81.50(17) . . ?
O26 Eu1 O23 96.2(2) . . ?
O25 Eu1 O23 70.1(2) . . ?
O24 Eu1 O23 52.06(17) . . ?
O1 Eu1 C60 109.16(19) 2_594 . ?
O10 Eu1 C60 72.78(18) 2_584 . ?
O9 Eu1 C60 153.19(18) 1_565 . ?
O2 Eu1 C60 105.20(18) . . ?
O26 Eu1 C60 83.58(19) . . ?
O25 Eu1 C60 88.6(2) . . ?
O24 Eu1 C60 26.18(18) . . ?
O23 Eu1 C60 25.93(19) . . ?
O1 Eu1 O1 77.77(15) 2_594 . ?
O10 Eu1 O1 69.46(15) 2_584 . ?
O9 Eu1 O1 67.80(14) 1_565 . ?
O2 Eu1 O1 48.67(14) . . ?
O26 Eu1 O1 137.85(16) . . ?
O25 Eu1 O1 105.24(19) . . ?
O24 Eu1 O1 142.85(17) . . ?
O23 Eu1 O1 124.20(17) . . ?
C60 Eu1 O1 138.12(17) . . ?
O1 Eu1 C13 102.11(17) 2_594 . ?
O10 Eu1 C13 72.22(17) 2_584 . ?
O9 Eu1 C13 76.47(16) 1_565 . ?
O2 Eu1 C13 24.01(16) . . ?
O26 Eu1 C13 146.79(19) . . ?
O25 Eu1 C13 86.1(2) . . ?
O24 Eu1 C13 142.58(17) . . ?
O23 Eu1 C13 103.29(18) . . ?
C60 Eu1 C13 123.98(18) . . ?
O1 Eu1 C13 24.69(15) . . ?
O1 Eu1 Tb1 43.15(11) 2_594 2_594 ?
O10 Eu1 Tb1 66.59(11) 2_584 2_594 ?
O9 Eu1 Tb1 68.19(12) 1_565 2_594 ?
O2 Eu1 Tb1 82.74(11) . 2_594 ?
O26 Eu1 Tb1 116.39(16) . 2_594 ?
O25 Eu1 Tb1 133.49(17) . 2_594 ?
O24 Eu1 Tb1 120.40(14) . 2_594 ?
O23 Eu1 Tb1 142.41(16) . 2_594 ?
C60 Eu1 Tb1 135.39(15) . 2_594 ?
O1 Eu1 Tb1 34.62(9) . 2_594 ?
C13 Eu1 Tb1 59.07(13) . 2_594 ?
O17 Eu2 O3 90.48(19) . . ?
O17 Eu2 O4 154.0(2) . 2_484 ?
O3 Eu2 O4 104.88(18) . 2_484 ?
O17 Eu2 O27 95.5(2) . . ?
O3 Eu2 O27 147.0(2) . . ?
O4 Eu2 O27 83.0(2) 2_484 . ?
O17 Eu2 O28 78.77(17) . . ?
O3 Eu2 O28 73.0(2) . . ?
O4 Eu2 O28 85.76(17) 2_484 . ?
O27 Eu2 O28 140.0(2) . . ?
O17 Eu2 O29 80.40(19) . . ?
O3 Eu2 O29 141.43(19) . . ?
O4 Eu2 O29 74.53(19) 2_484 . ?
O27 Eu2 O29 71.5(2) . . ?
O28 Eu2 O29 68.47(19) . . ?
O17 Eu2 O8 130.02(17) . . ?
O3 Eu2 O8 71.66(18) . . ?
O4 Eu2 O8 75.42(17) 2_484 . ?
O27 Eu2 O8 79.8(2) . . ?
O28 Eu2 O8 133.62(16) . . ?
O29 Eu2 O8 140.43(16) . . ?
O17 Eu2 O7 78.06(17) . . ?
O3 Eu2 O7 75.64(18) . . ?
O4 Eu2 O7 125.60(16) 2_484 . ?
O27 Eu2 O7 74.0(2) . . ?
O28 Eu2 O7 140.49(18) . . ?
O29 Eu2 O7 136.92(17) . . ?
O8 Eu2 O7 52.63(14) . . ?
O17 Eu2 C28 103.97(19) . . ?
O3 Eu2 C28 70.3(2) . . ?
O4 Eu2 C28 100.93(18) 2_484 . ?
O27 Eu2 C28 76.8(2) . . ?
O28 Eu2 C28 143.18(19) . . ?
O29 Eu2 C28 148.30(18) . . ?
O8 Eu2 C28 26.24(16) . . ?
O7 Eu2 C28 26.46(16) . . ?
O17 Eu2 C14 150.58(17) . 2_484 ?
O3 Eu2 C14 89.50(18) . 2_484 ?
O4 Eu2 C14 17.41(17) 2_484 2_484 ?
O27 Eu2 C14 100.3(2) . 2_484 ?
O28 Eu2 C14 73.12(16) . 2_484 ?
O29 Eu2 C14 81.40(18) . 2_484 ?
O8 Eu2 C14 77.50(15) . 2_484 ?
O7 Eu2 C14 130.13(15) . 2_484 ?
C28 Eu2 C14 103.68(17) . 2_484 ?
O21 Eu3 O13 75.06(18) 2_594 . ?
O21 Eu3 O14 77.69(16) 2_594 2_593 ?
O13 Eu3 O14 124.63(16) . 2_593 ?
O21 Eu3 O22 121.85(17) 2_594 1_554 ?
O13 Eu3 O22 75.09(18) . 1_554 ?
O14 Eu3 O22 80.08(17) 2_593 1_554 ?
O21 Eu3 O30 147.23(19) 2_594 . ?
O13 Eu3 O30 137.11(19) . . ?
O14 Eu3 O30 76.70(17) 2_593 . ?
O22 Eu3 O30 73.01(19) 1_554 . ?
O21 Eu3 O5 86.17(17) 2_594 . ?
O13 Eu3 O5 78.28(19) . . ?
O14 Eu3 O5 145.93(18) 2_593 . ?
O22 Eu3 O5 133.39(17) 1_554 . ?
O30 Eu3 O5 104.2(2) . . ?
O21 Eu3 O6 133.05(16) 2_594 . ?
O13 Eu3 O6 75.65(17) . . ?
O14 Eu3 O6 149.03(15) 2_593 . ?
O22 Eu3 O6 84.09(17) 1_554 . ?
O30 Eu3 O6 73.27(18) . . ?
O5 Eu3 O6 52.34(16) . . ?
O21 Eu3 O31 80.93(19) 2_594 . ?
O13 Eu3 O31 142.00(19) . . ?
O14 Eu3 O31 76.85(18) 2_593 . ?
O22 Eu3 O31 142.87(19) 1_554 . ?
O30 Eu3 O31 73.6(2) . . ?
O5 Eu3 O31 71.04(19) . . ?
O6 Eu3 O31 101.40(18) . . ?
O21 Eu3 C15 109.34(18) 2_594 . ?
O13 Eu3 C15 74.24(18) . . ?
O14 Eu3 C15 161.09(18) 2_593 . ?
O22 Eu3 C15 108.8(2) 1_554 . ?
O30 Eu3 C15 89.75(19) . . ?
O5 Eu3 C15 25.97(19) . . ?
O6 Eu3 C15 26.42(18) . . ?
O31 Eu3 C15 86.8(2) . . ?
O21 Eu3 C59 102.29(17) 2_594 1_554 ?
O13 Eu3 C59 71.41(17) . 1_554 ?
O14 Eu3 C59 68.67(17) 2_593 1_554 ?
O22 Eu3 C59 20.16(15) 1_554 1_554 ?
O30 Eu3 C59 87.03(19) . 1_554 ?
O5 Eu3 C59 144.92(18) . 1_554 ?
O6 Eu3 C59 102.10(17) . 1_554 ?
O31 Eu3 C59 143.56(18) . 1_554 ?
C15 Eu3 C59 124.46(19) . 1_554 ?
O21 Eu3 Eu3 48.74(13) 2_594 2_593 ?
O13 Eu3 Eu3 62.44(11) . 2_593 ?
O14 Eu3 Eu3 63.25(11) 2_593 2_593 ?
O22 Eu3 Eu3 73.25(11) 1_554 2_593 ?
O30 Eu3 Eu3 130.96(14) . 2_593 ?
O5 Eu3 Eu3 124.83(14) . 2_593 ?
O6 Eu3 Eu3 136.00(14) . 2_593 ?
O31 Eu3 Eu3 119.51(13) . 2_593 ?
C15 Eu3 Eu3 134.73(14) . 2_593 ?
C59 Eu3 Eu3 53.55(11) 1_554 2_593 ?
O20 Eu4 O19 105.84(17) 2_485 . ?
O20 Eu4 O12 152.80(17) 2_485 2_584 ?
O19 Eu4 O12 84.88(19) . 2_584 ?
O20 Eu4 O33 80.36(18) 2_485 . ?
O19 Eu4 O33 140.24(19) . . ?
O12 Eu4 O33 75.86(18) 2_584 . ?
O20 Eu4 O15 126.03(18) 2_485 2_494 ?
O19 Eu4 O15 80.06(18) . 2_494 ?
O12 Eu4 O15 79.94(17) 2_584 2_494 ?
O33 Eu4 O15 128.60(18) . 2_494 ?
O20 Eu4 O32 77.0(2) 2_485 . ?
O19 Eu4 O32 147.0(2) . . ?
O12 Eu4 O32 107.8(2) 2_584 . ?
O33 Eu4 O32 72.7(2) . . ?
O15 Eu4 O32 72.7(2) 2_494 . ?
O20 Eu4 O34 76.43(18) 2_485 . ?
O19 Eu4 O34 72.45(17) . . ?
O12 Eu4 O34 83.45(18) 2_584 . ?
O33 Eu4 O34 71.07(18) . . ?
O15 Eu4 O34 148.95(19) 2_494 . ?
O32 Eu4 O34 137.86(18) . . ?
O20 Eu4 O16 76.69(16) 2_485 2_494 ?
O19 Eu4 O16 74.39(17) . 2_494 ?
O12 Eu4 O16 130.52(15) 2_584 2_494 ?
O33 Eu4 O16 143.25(18) . 2_494 ?
O15 Eu4 O16 52.79(14) 2_494 2_494 ?
O32 Eu4 O16 74.4(2) . 2_494 ?
O34 Eu4 O16 128.98(15) . 2_494 ?
O20 Eu4 C44 101.48(19) 2_485 2_494 ?
O19 Eu4 C44 76.24(19) . 2_494 ?
O12 Eu4 C44 105.38(18) 2_584 2_494 ?
O33 Eu4 C44 142.2(2) . 2_494 ?
O15 Eu4 C44 26.27(17) 2_494 2_494 ?
O32 Eu4 C44 71.1(2) . 2_494 ?
O34 Eu4 C44 146.54(17) . 2_494 ?
O16 Eu4 C44 26.53(16) 2_494 2_494 ?
C13 O1 Tb1 167.6(5) . 2_594 ?
C13 O1 Eu1 167.6(5) . 2_594 ?
Tb1 O1 Eu1 0.00(2) 2_594 2_594 ?
C13 O1 Eu1 85.5(4) . . ?
Tb1 O1 Eu1 102.23(15) 2_594 . ?
Eu1 O1 Eu1 102.23(15) 2_594 . ?
C13 O2 Eu1 104.9(4) . . ?
C14 O3 Eu2 154.7(5) . . ?
C14 O4 Tb2 128.7(4) . 2_484 ?
C14 O4 Eu2 128.7(4) . 2_484 ?
Tb2 O4 Eu2 0.00(2) 2_484 2_484 ?
C15 O5 Eu3 93.8(4) . . ?
C15 O6 Eu3 92.7(4) . . ?
C28 O7 Eu2 92.4(4) . . ?
C28 O8 Eu2 93.6(4) . . ?
C29 O9 Tb1 136.0(4) . 1_545 ?
C29 O9 Eu1 136.0(4) . 1_545 ?
Tb1 O9 Eu1 0.000(17) 1_545 1_545 ?
C29 O10 Tb1 139.1(4) . 2_584 ?
C29 O10 Eu1 139.1(4) . 2_584 ?
Tb1 O10 Eu1 0.000(18) 2_584 2_584 ?
C30 O12 Tb4 138.8(5) . 2_584 ?
C30 O12 Eu4 138.8(5) . 2_584 ?
Tb4 O12 Eu4 0.00(2) 2_584 2_584 ?
C43 O13 Eu3 145.4(4) . . ?
C43 O14 Tb3 139.7(4) . 2_593 ?
C43 O14 Eu3 139.7(4) . 2_593 ?
Tb3 O14 Eu3 0.000(17) 2_593 2_593 ?
C44 O15 Tb4 93.5(4) . 2_494 ?
C44 O15 Eu4 93.5(4) . 2_494 ?
Tb4 O15 Eu4 0.00(2) 2_494 2_494 ?
C44 O16 Tb4 91.7(4) . 2_494 ?
C44 O16 Eu4 91.7(4) . 2_494 ?
Tb4 O16 Eu4 0.000(16) 2_494 2_494 ?
C45 O17 Eu2 140.2(4) . . ?
C58 O19 Eu4 173.1(5) . . ?
C58 O20 Tb4 133.4(4) . 2_485 ?
C58 O20 Eu4 133.4(4) . 2_485 ?
Tb4 O20 Eu4 0.000(13) 2_485 2_485 ?
C59 O21 Tb3 173.2(5) . 2_594 ?
C59 O21 Eu3 173.2(5) . 2_594 ?
Tb3 O21 Eu3 0.000(17) 2_594 2_594 ?
C59 O22 Tb3 118.2(4) . 1_556 ?
C59 O22 Eu3 118.2(4) . 1_556 ?
Tb3 O22 Eu3 0.000(14) 1_556 1_556 ?
C60 O23 Eu1 92.8(4) . . ?
C60 O24 Eu1 92.9(4) . . ?
Eu1 O25 H25A 127(2) . . ?
Eu1 O25 H25B 128(2) . . ?
H25A O25 H25B 104.1(19) . . ?
Eu1 O26 H26A 129(2) . . ?
Eu1 O26 H26B 129(2) . . ?
H26A O26 H26B 101.6(18) . . ?
C61 O27 Eu2 160.9(17) . . ?
Eu2 O28 H28A 121(2) . . ?
Eu2 O28 H28B 120(2) . . ?
H28A O28 H28B 105(3) . . ?
Eu2 O29 H29A 127(2) . . ?
Eu2 O29 H29B 127(2) . . ?
H29A O29 H29B 103(2) . . ?
C64 O30 Eu3 125.4(6) . . ?
Eu3 O31 H31A 127(2) . . ?
Eu3 O31 H31B 128(2) . . ?
H31A O31 H31B 103(2) . . ?
Eu4 O32 H32A 124(2) . . ?
Eu4 O32 H32B 123(2) . . ?
H32A O32 H32B 107(3) . . ?
Eu4 O33 H33A 121(2) . . ?
Eu4 O33 H33B 122(2) . . ?
H33A O33 H33B 106(3) . . ?
Eu4 O34 H34A 128.6(19) . . ?
Eu4 O34 H34B 128.0(19) . . ?
H34A O34 H34B 103.4(17) . . ?
C2 C1 C6 120.3(6) . . ?
C2 C1 C13 118.9(6) . . ?
C6 C1 C13 120.8(6) . . ?
C1 C2 C3 120.1(6) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 C4 119.8(6) . . ?
C2 C3 C14 120.0(6) . . ?
C4 C3 C14 120.1(6) . . ?
C3 C4 C5 121.1(6) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 117.8(6) . . ?
C6 C5 C7 122.8(6) . . ?
C4 C5 C7 119.4(5) . . ?
C5 C6 C1 121.0(6) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
C12 C7 C8 117.5(6) . . ?
C12 C7 C5 121.8(6) . . ?
C8 C7 C5 120.5(6) . . ?
C7 C8 C9 119.9(7) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C10 C9 C8 121.8(7) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 118.1(6) . . ?
C9 C10 C15 120.8(7) . . ?
C11 C10 C15 121.0(6) . . ?
C10 C11 C12 120.1(7) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 122.2(7) . . ?
C7 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
O1 C13 O2 120.8(6) . . ?
O1 C13 C1 121.6(6) . . ?
O2 C13 C1 117.6(6) . . ?
O1 C13 Eu1 69.8(3) . . ?
O2 C13 Eu1 51.1(3) . . ?
C1 C13 Eu1 167.9(5) . . ?
O3 C14 O4 124.3(6) . . ?
O3 C14 C3 118.3(6) . . ?
O4 C14 C3 117.3(6) . . ?
O3 C14 Eu2 90.4(4) . 2_484 ?
O4 C14 Eu2 33.9(3) . 2_484 ?
C3 C14 Eu2 150.8(4) . 2_484 ?
O5 C15 O6 120.9(6) . . ?
O5 C15 C10 119.3(6) . . ?
O6 C15 C10 119.7(6) . . ?
O5 C15 Eu3 60.2(4) . . ?
O6 C15 Eu3 60.9(3) . . ?
C10 C15 Eu3 175.4(5) . . ?
C17 C16 C21 119.6(6) . . ?
C17 C16 C28 119.9(6) . . ?
C21 C16 C28 120.5(6) . . ?
C16 C17 C18 119.6(6) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C19 C18 C17 119.6(6) . . ?
C19 C18 C29 120.4(6) . . ?
C17 C18 C29 119.9(6) . . ?
C18 C19 C20 121.9(6) . . ?
C18 C19 H19 119.0 . . ?
C20 C19 H19 119.0 . . ?
C21 C20 C19 117.4(6) . . ?
C21 C20 C22 121.0(6) . . ?
C19 C20 C22 121.4(6) . . ?
C20 C21 C16 121.9(6) . . ?
C20 C21 H21 119.0 . . ?
C16 C21 H21 119.0 . . ?
C23 C22 C27 117.0(6) . . ?
C23 C22 C20 121.8(6) . . ?
C27 C22 C20 121.1(6) . . ?
C22 C23 C24 122.5(7) . . ?
C22 C23 H23 118.8 . . ?
C24 C23 H23 118.8 . . ?
C23 C24 C25 119.3(7) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 119.1(7) . . ?
C26 C25 C30 121.4(6) . . ?
C24 C25 C30 119.4(7) . . ?
C25 C26 C27 121.2(7) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C22 C27 C26 120.9(7) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
O8 C28 O7 121.1(6) . . ?
O8 C28 C16 119.6(6) . . ?
O7 C28 C16 119.3(6) . . ?
O8 C28 Eu2 60.2(3) . . ?
O7 C28 Eu2 61.1(3) . . ?
C16 C28 Eu2 172.5(5) . . ?
O9 C29 O10 126.5(6) . . ?
O9 C29 C18 118.0(6) . . ?
O10 C29 C18 115.5(6) . . ?
O11 C30 O12 124.1(6) . . ?
O11 C30 C25 119.2(6) . . ?
O12 C30 C25 116.6(6) . . ?
C36 C31 C32 120.3(6) . . ?
C36 C31 C43 119.0(6) . . ?
C32 C31 C43 120.6(5) . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C34 C33 C32 119.6(6) . . ?
C34 C33 C44 119.7(6) . . ?
C32 C33 C44 120.7(6) . . ?
C33 C34 C35 121.8(6) . . ?
C33 C34 H34 119.1 . . ?
C35 C34 H34 119.1 . . ?
C34 C35 C36 118.2(6) . . ?
C34 C35 C37 121.1(6) . . ?
C36 C35 C37 120.6(6) . . ?
C31 C36 C35 120.1(6) . . ?
C31 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C38 C37 C42 117.5(6) . . ?
C38 C37 C35 120.4(6) . . ?
C42 C37 C35 122.1(6) . . ?
C37 C38 C39 121.1(7) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 H38 119.4 . . ?
C40 C39 C38 121.1(6) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C41 119.0(6) . . ?
C39 C40 C45 120.3(6) . . ?
C41 C40 C45 120.7(6) . . ?
C40 C41 C42 119.5(7) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 H41 120.3 . . ?
C37 C42 C41 121.8(7) . . ?
C37 C42 H42 119.1 . . ?
C41 C42 H42 119.1 . . ?
O13 C43 O14 124.5(6) . . ?
O13 C43 C31 117.5(5) . . ?
O14 C43 C31 118.0(5) . . ?
O15 C44 O16 122.0(6) . . ?
O15 C44 C33 119.1(6) . . ?
O16 C44 C33 118.9(6) . . ?
O15 C44 Tb4 60.3(3) . 2_494 ?
O16 C44 Tb4 61.8(3) . 2_494 ?
C33 C44 Tb4 178.4(5) . 2_494 ?
O15 C44 Eu4 60.3(3) . 2_494 ?
O16 C44 Eu4 61.8(3) . 2_494 ?
C33 C44 Eu4 178.4(5) . 2_494 ?
Tb4 C44 Eu4 0.000(16) 2_494 2_494 ?
O18 C45 O17 124.8(6) . . ?
O18 C45 C40 119.3(6) . . ?
O17 C45 C40 115.9(6) . . ?
C47 C46 C51 119.7(5) . . ?
C47 C46 C58 119.0(5) . . ?
C51 C46 C58 121.3(5) . . ?
C48 C47 C46 120.1(6) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C47 119.3(6) . . ?
C49 C48 C59 121.6(6) . . ?
C47 C48 C59 119.1(5) . . ?
C48 C49 C50 121.7(6) . . ?
C48 C49 H49 119.2 . . ?
C50 C49 H49 119.2 . . ?
C49 C50 C51 119.1(6) . . ?
C49 C50 C52 120.8(6) . . ?
C51 C50 C52 120.2(6) . . ?
C50 C51 C46 120.0(6) . . ?
C50 C51 H51 120.0 . . ?
C46 C51 H51 120.0 . . ?
C53 C52 C57 117.0(6) . . ?
C53 C52 C50 121.8(6) . . ?
C57 C52 C50 121.2(6) . . ?
C54 C53 C52 121.7(7) . . ?
C54 C53 H53 119.2 . . ?
C52 C53 H53 119.2 . . ?
C55 C54 C53 120.5(7) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C56 C55 C54 118.8(6) . . ?
C56 C55 C60 119.7(7) . . ?
C54 C55 C60 121.4(7) . . ?
C55 C56 C57 120.6(7) . . ?
C55 C56 H56 119.7 . . ?
C57 C56 H56 119.7 . . ?
C56 C57 C52 121.4(7) . . ?
C56 C57 H57 119.3 . . ?
C52 C57 H57 119.3 . . ?
O19 C58 O20 123.2(6) . . ?
O19 C58 C46 119.3(6) . . ?
O20 C58 C46 117.4(5) . . ?
O21 C59 O22 124.6(6) . . ?
O21 C59 C48 117.5(6) . . ?
O22 C59 C48 117.9(5) . . ?
O21 C59 Eu3 84.4(4) . 1_556 ?
O22 C59 Eu3 41.6(3) . 1_556 ?
C48 C59 Eu3 154.4(4) . 1_556 ?
O23 C60 O24 122.0(6) . . ?
O23 C60 C55 118.9(6) . . ?
O24 C60 C55 119.1(6) . . ?
O23 C60 Eu1 61.2(4) . . ?
O24 C60 Eu1 60.9(3) . . ?
C55 C60 Eu1 176.1(5) . . ?
C61 N1 C62 124.7(19) . . ?
C61 N1 C63 112.5(18) . . ?
C62 N1 C63 120.5(17) . . ?
C64 N2 C66 116.8(11) . . ?
C64 N2 C65 120.4(11) . . ?
C66 N2 C65 122.8(11) . . ?
O27 C61 N1 137(3) . . ?
O27 C61 H61 111.7 . . ?
N1 C61 H61 111.7 . . ?
N1 C62 H62A 109.5 . . ?
N1 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
N1 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1 C63 H63A 109.5 . . ?
N1 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N1 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O30 C64 N2 124.5(11) . . ?
O30 C64 H64 117.7 . . ?
N2 C64 H64 117.7 . . ?
N2 C65 H65A 109.5 . . ?
N2 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N2 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N2 C66 H66A 109.5 . . ?
N2 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N2 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C67 N3 C69 123.7(10) . . ?
C67 N3 C68 118.4(9) . . ?
C69 N3 C68 117.8(9) . . ?
O35 C67 N3 124.7(10) . . ?
O35 C67 H67 117.6 . . ?
N3 C67 H67 117.6 . . ?
N3 C68 H68A 109.5 . . ?
N3 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N3 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N3 C69 H69A 109.5 . . ?
N3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 N4 C71 120.4(9) . . ?
C70 N4 C72 119.3(9) . . ?
C71 N4 C72 120.2(9) . . ?
O36 C70 N4 124.8(10) . . ?
O36 C70 H70 117.6 . . ?
N4 C70 H70 117.6 . . ?
N4 C71 H71A 109.5 . . ?
N4 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N4 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N4 C72 H72A 109.5 . . ?
N4 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N4 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 N5 C75 120.9(9) . . ?
C73 N5 C74 118.0(9) . . ?
C75 N5 C74 121.0(9) . . ?
O37 C73 N5 123.7(10) . . ?
O37 C73 H73 118.2 . . ?
N5 C73 H73 118.2 . . ?
N5 C74 H74A 109.5 . . ?
N5 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N5 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N5 C75 H75A 109.5 . . ?
N5 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
N5 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 N6 C77 115(3) . . ?
C76 N6 C78 98(3) . . ?
C77 N6 C78 147(4) . . ?
N6 C76 O38 117(3) . . ?
N6 C76 H76 121.7 . . ?
O38 C76 H76 121.7 . . ?
N6 C77 H77A 109.5 . . ?
N6 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
N6 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N6 C78 H78A 109.5 . . ?
N6 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
N6 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 N7 C81 127(4) . . ?
C80 N7 C79 114(4) . . ?
C81 N7 C79 103(3) . . ?
O39 C79 N7 130(4) . . ?
O39 C79 H79 114.8 . . ?
N7 C79 H79 114.8 . . ?
N7 C80 H80A 109.5 . . ?
N7 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
N7 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N7 C81 H81A 109.5 . . ?
N7 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N7 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O25 H25B O18 1.006(18) 1.76(11) 2.673(8) 150(19) 2_494
O26 H26A O36 1.019(18) 1.82(12) 2.763(9) 151(21) 2_585
O26 H26B O37 1.023(18) 1.91(11) 2.831(9) 149(17) 1_474
O28 H28A O8 1.00(2) 1.90(5) 2.880(7) 165(16) 2_484
O28 H28A O3 1.00(2) 2.54(9) 3.106(7) 116(6) 2_484
O28 H28B O37 1.01(2) 2.53(14) 3.316(9) 135(15) 2_575
O29 H29A O36 1.011(19) 1.72(4) 2.725(9) 172(19) 1_464
O31 H31A O35 1.014(19) 2.01(16) 2.795(9) 133(16) 2_674
O31 H31B O11 1.015(19) 1.91(10) 2.849(7) 152(18) .
O32 H32B O2W 0.99(2) 2.26(12) 3.100(11) 142(15) 2_575
O33 H33A O11 1.00(2) 2.00(15) 2.670(8) 122(13) 2_584
O33 H33B O2W 1.00(2) 1.80(9) 2.743(11) 155(18) 2_575
O34 H34A O16 1.012(17) 1.82(7) 2.793(6) 159(16) 1_546
O34 H34B O35 1.012(17) 2.06(19) 2.806(8) 129(18) 1_465

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.112
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.148
####################################################################### 
# 
# 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_trf
_database_code_depnum_ccdc_archive 'CCDC 1028537'
_audit_update_record             
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C81 H99 Eu2 N7 O42 Tb2'
_chemical_formula_sum            'C81 H99 Eu2 N7 O42 Tb2'
_chemical_formula_weight         2464.43

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.006(3)
_cell_length_b                   13.821(3)
_cell_length_c                   27.982(6)
_cell_angle_alpha                75.67(3)
_cell_angle_beta                 79.35(3)
_cell_angle_gamma                85.62(3)
_cell_volume                     4786.9(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16821
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2452
_exptl_absorpt_coefficient_mu    2.845
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5157
_exptl_absorpt_correction_T_max  0.5618
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            27155
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             16821
_reflns_number_gt                13581
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0528P)²+13.1386P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16821
_refine_ls_number_parameters     1075
_refine_ls_number_restraints     47
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0389
_refine_ls_wR_factor_ref         0.1091
_refine_ls_wR_factor_gt          0.1029
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb -0.11972(2) 2.02118(2) -0.445945(10) 0.02070(8) Uani 0.50 1 d P . .
Eu1 Eu -0.11972(2) 2.02118(2) -0.445945(10) 0.02070(8) Uani 0.50 1 d PD . .
Tb2 Tb -0.52855(2) 1.53782(2) -0.584917(10) 0.02266(8) Uani 0.50 1 d P . .
Eu2 Eu -0.52855(2) 1.53782(2) -0.584917(10) 0.02266(8) Uani 0.50 1 d PD . .
Tb3 Tb 0.03068(2) 1.87524(2) -0.939496(10) 0.01982(8) Uani 0.50 1 d P . .
Eu3 Eu 0.03068(2) 1.87524(2) -0.939496(10) 0.01982(8) Uani 0.50 1 d PD . .
Tb4 Tb -0.48291(2) 1.48078(2) -0.085854(10) 0.02145(8) Uani 0.50 1 d P . .
Eu4 Eu -0.48291(2) 1.48078(2) -0.085854(10) 0.02145(8) Uani 0.50 1 d PD . .
O1 O -0.0543(4) 1.9320(3) -0.52785(16) 0.0320(10) Uani 1 1 d . . .
O2 O -0.2009(4) 1.8990(4) -0.47411(16) 0.0365(11) Uani 1 1 d . . .
O3 O -0.4003(4) 1.5673(4) -0.54330(19) 0.0430(13) Uani 1 1 d . . .
O4 O -0.3762(4) 1.5906(3) -0.47122(16) 0.0376(12) Uani 1 1 d . . .
O5 O 0.0452(4) 1.8896(4) -0.85553(17) 0.0504(14) Uani 1 1 d . . .
O6 O -0.0687(4) 1.7858(3) -0.85913(16) 0.0398(12) Uani 1 1 d . . .
O7 O -0.3601(4) 1.5169(3) -0.64192(17) 0.0365(12) Uani 1 1 d . . .
O8 O -0.4045(3) 1.3925(3) -0.57646(16) 0.0309(10) Uani 1 1 d . . .
O9 O -0.1313(4) 1.1351(3) -0.52411(15) 0.0342(11) Uani 1 1 d . . .
O10 O 0.0188(4) 1.1266(3) -0.57754(16) 0.0321(11) Uani 1 1 d . . .
O11 O 0.2599(4) 1.6593(4) -0.85308(18) 0.0461(13) Uani 1 1 d . . .
O12 O 0.3257(4) 1.5080(4) -0.85847(18) 0.0407(12) Uani 1 1 d . . .
O13 O -0.1109(4) 1.9836(3) -0.92243(16) 0.0352(11) Uani 1 1 d . . .
O14 O -0.1241(4) 2.1273(3) -0.97848(15) 0.0318(11) Uani 1 1 d . . .
O15 O -0.4959(4) 2.3511(3) -0.86167(17) 0.0414(13) Uani 1 1 d . . .
O16 O -0.3876(4) 2.3872(3) -0.93319(15) 0.0303(10) Uani 1 1 d . . .
O17 O -0.5095(4) 1.6942(3) -0.63682(17) 0.0417(13) Uani 1 1 d . . .
O18 O -0.5561(5) 1.8144(4) -0.5970(2) 0.067(2) Uani 1 1 d . . .
O19 O -0.4024(4) 1.5720(3) -0.04520(18) 0.0368(11) Uani 1 1 d . . .
O20 O -0.3887(4) 1.6070(3) 0.02558(17) 0.0379(12) Uani 1 1 d . . .
O21 O -0.0988(4) 1.9679(3) -0.03281(17) 0.0375(12) Uani 1 1 d . . .
O22 O -0.1062(4) 1.8267(3) 0.02536(17) 0.0360(11) Uani 1 1 d . . .
O23 O -0.2217(4) 1.9354(5) -0.36484(18) 0.0558(16) Uani 1 1 d . . .
O24 O -0.0870(4) 2.0176(4) -0.36163(16) 0.0424(13) Uani 1 1 d . . .
O25 O -0.3083(5) 2.0604(5) -0.4443(3) 0.0659(17) Uani 1 1 d D . .
O26 O -0.1437(6) 2.1880(4) -0.43138(19) 0.0591(17) Uani 1 1 d D . .
O27 O -0.5726(5) 1.4618(5) -0.6439(2) 0.0654(18) Uani 1 1 d . . .
O28 O -0.6099(4) 1.6429(4) -0.52784(17) 0.0445(13) Uani 1 1 d D . .
O29 O -0.7133(4) 1.5816(4) -0.5927(2) 0.0459(13) Uani 1 1 d D . .
O30 O 0.0586(5) 1.6999(4) -0.9366(2) 0.0515(14) Uani 1 1 d . . .
O31 O 0.2118(4) 1.8324(4) -0.92598(19) 0.0507(14) Uani 1 1 d D . .
O32 O -0.6227(6) 1.4760(5) -0.1330(3) 0.080(2) Uani 1 1 d D . .
O33 O -0.4639(4) 1.3215(4) -0.1098(2) 0.0481(14) Uani 1 1 d D . .
O34 O -0.3817(4) 1.3621(3) -0.02961(17) 0.0381(11) Uani 1 1 d D . .
C1 C -0.1747(5) 1.8229(4) -0.5427(2) 0.0249(13) Uani 1 1 d . . .
C2 C -0.2493(5) 1.7525(4) -0.5185(2) 0.0244(13) Uani 1 1 d . . .
H2 H -0.2757 1.7451 -0.4846 0.029 Uiso 1 1 calc R . .
C3 C -0.2842(5) 1.6931(4) -0.5451(2) 0.0231(13) Uani 1 1 d . . .
C4 C -0.2480(5) 1.7058(5) -0.5955(2) 0.0280(14) Uani 1 1 d . . .
H4 H -0.2741 1.6671 -0.6132 0.034 Uiso 1 1 calc R . .
C5 C -0.1716(5) 1.7766(5) -0.6209(2) 0.0295(15) Uani 1 1 d . . .
C6 C -0.1344(5) 1.8335(5) -0.5933(2) 0.0286(14) Uani 1 1 d . . .
H6 H -0.0822 1.8789 -0.6089 0.034 Uiso 1 1 calc R . .
C7 C -0.1339(6) 1.7888(5) -0.6756(2) 0.0313(15) Uani 1 1 d . . .
C8 C -0.0379(7) 1.8334(7) -0.6988(3) 0.058(3) Uani 1 1 d . . .
H8 H 0.0034 1.8551 -0.6799 0.069 Uiso 1 1 calc R . .
C9 C -0.0051(7) 1.8449(7) -0.7499(3) 0.059(3) Uani 1 1 d . . .
H9 H 0.0587 1.8740 -0.7647 0.070 Uiso 1 1 calc R . .
C10 C -0.0635(6) 1.8148(5) -0.7792(2) 0.0309(15) Uani 1 1 d . . .
C11 C -0.1533(6) 1.7629(6) -0.7557(3) 0.047(2) Uani 1 1 d . . .
H11 H -0.1908 1.7355 -0.7741 0.056 Uiso 1 1 calc R . .
C12 C -0.1872(6) 1.7520(6) -0.7048(3) 0.046(2) Uani 1 1 d . . .
H12 H -0.2486 1.7184 -0.6899 0.055 Uiso 1 1 calc R . .
C13 C -0.1402(5) 1.8887(5) -0.5133(2) 0.0263(14) Uani 1 1 d . . .
C14 C -0.3598(5) 1.6126(4) -0.5178(2) 0.0257(14) Uani 1 1 d . . .
C15 C -0.0264(6) 1.8305(5) -0.8346(2) 0.0315(15) Uani 1 1 d . . .
C16 C -0.2343(5) 1.3835(5) -0.6251(2) 0.0274(14) Uani 1 1 d . . .
C17 C -0.2043(5) 1.2985(5) -0.5922(2) 0.0299(15) Uani 1 1 d . . .
H17 H -0.2499 1.2715 -0.5629 0.036 Uiso 1 1 calc R . .
C18 C -0.1056(5) 1.2529(5) -0.6027(2) 0.0297(15) Uani 1 1 d . . .
C19 C -0.0387(5) 1.2931(5) -0.6461(2) 0.0328(16) Uani 1 1 d . . .
H19 H 0.0266 1.2623 -0.6531 0.039 Uiso 1 1 calc R . .
C20 C -0.0670(6) 1.3793(5) -0.6800(2) 0.0353(17) Uani 1 1 d . . .
C21 C -0.1647(5) 1.4230(5) -0.6685(2) 0.0359(17) Uani 1 1 d . . .
H21 H -0.1845 1.4806 -0.6905 0.043 Uiso 1 1 calc R . .
C22 C 0.0110(5) 1.4264(5) -0.7247(2) 0.0369(17) Uani 1 1 d . . .
C23 C 0.0166(6) 1.5294(6) -0.7401(3) 0.051(2) Uani 1 1 d . . .
H23 H -0.0319 1.5689 -0.7240 0.062 Uiso 1 1 calc R . .
C24 C 0.0929(6) 1.5750(6) -0.7792(3) 0.053(2) Uani 1 1 d . . .
H24 H 0.0942 1.6443 -0.7894 0.063 Uiso 1 1 calc R . .
C25 C 0.1670(5) 1.5173(5) -0.8029(2) 0.0349(16) Uani 1 1 d . . .
C26 C 0.1594(6) 1.4147(5) -0.7889(3) 0.0412(18) Uani 1 1 d . . .
H26 H 0.2067 1.3750 -0.8056 0.049 Uiso 1 1 calc R . .
C27 C 0.0818(6) 1.3700(6) -0.7503(3) 0.0425(19) Uani 1 1 d . . .
H27 H 0.0776 1.3008 -0.7415 0.051 Uiso 1 1 calc R . .
C28 C -0.3389(5) 1.4329(5) -0.6143(2) 0.0283(14) Uani 1 1 d . . .
C29 C -0.0704(5) 1.1629(5) -0.5647(2) 0.0280(14) Uani 1 1 d . . .
C30 C 0.2559(5) 1.5661(5) -0.8410(2) 0.0352(16) Uani 1 1 d . . .
C31 C -0.2380(5) 2.1027(4) -0.8999(2) 0.0262(14) Uani 1 1 d . . .
C32 C -0.2852(5) 2.1969(4) -0.9121(2) 0.0250(13) Uani 1 1 d . . .
H32 H -0.2618 2.2404 -0.9427 0.030 Uiso 1 1 calc R . .
C33 C -0.3673(5) 2.2268(5) -0.8789(2) 0.0285(14) Uani 1 1 d . . .
C34 C -0.4017(5) 2.1617(5) -0.8334(2) 0.0332(16) Uani 1 1 d . . .
H34 H -0.4561 2.1823 -0.8111 0.040 Uiso 1 1 calc R . .
C35 C -0.3571(5) 2.0665(5) -0.8203(2) 0.0332(16) Uani 1 1 d . . .
C36 C -0.2740(5) 2.0387(5) -0.8544(2) 0.0313(15) Uani 1 1 d . . .
H36 H -0.2422 1.9756 -0.8462 0.038 Uiso 1 1 calc R . .
C37 C -0.3993(6) 1.9961(5) -0.7726(2) 0.0346(16) Uani 1 1 d . . .
C38 C -0.4003(6) 1.8949(5) -0.7702(3) 0.0425(19) Uani 1 1 d . . .
H38 H -0.3734 1.8714 -0.7985 0.051 Uiso 1 1 calc R . .
C39 C -0.4409(6) 1.8278(5) -0.7260(3) 0.0438(19) Uani 1 1 d . . .
H39 H -0.4416 1.7603 -0.7253 0.053 Uiso 1 1 calc R . .
C40 C -0.4802(6) 1.8601(5) -0.6831(2) 0.0346(16) Uani 1 1 d . . .
C41 C -0.4787(7) 1.9605(5) -0.6844(3) 0.053(2) Uani 1 1 d . . .
H41 H -0.5041 1.9833 -0.6557 0.064 Uiso 1 1 calc R . .
C42 C -0.4390(7) 2.0274(5) -0.7290(3) 0.051(2) Uani 1 1 d . . .
H42 H -0.4389 2.0950 -0.7296 0.061 Uiso 1 1 calc R . .
C43 C -0.1509(5) 2.0684(4) -0.9360(2) 0.0250(14) Uani 1 1 d . . .
C44 C -0.4198(5) 2.3280(5) -0.8919(2) 0.0283(14) Uani 1 1 d . . .
C45 C -0.5192(6) 1.7848(5) -0.6349(2) 0.0389(18) Uani 1 1 d . . .
C46 C -0.3000(5) 1.7080(4) -0.0480(2) 0.0220(13) Uani 1 1 d . . .
C47 C -0.2482(5) 1.7534(4) -0.0210(2) 0.0234(13) Uani 1 1 d . . .
H47 H -0.2553 1.7295 0.0136 0.028 Uiso 1 1 calc R . .
C48 C -0.1853(5) 1.8344(4) -0.0449(2) 0.0250(13) Uani 1 1 d . . .
C49 C -0.1764(5) 1.8700(5) -0.0960(2) 0.0275(14) Uani 1 1 d . . .
H49 H -0.1374 1.9263 -0.1118 0.033 Uiso 1 1 calc R . .
C50 C -0.2246(5) 1.8233(5) -0.1246(2) 0.0285(14) Uani 1 1 d . . .
C51 C -0.2871(5) 1.7427(5) -0.1002(2) 0.0272(14) Uani 1 1 d . . .
H51 H -0.3207 1.7114 -0.1185 0.033 Uiso 1 1 calc R . .
C52 C -0.2096(6) 1.8589(5) -0.1800(2) 0.0315(15) Uani 1 1 d . . .
C53 C -0.2857(6) 1.8509(6) -0.2068(2) 0.0428(19) Uani 1 1 d . . .
H53 H -0.3488 1.8226 -0.1898 0.051 Uiso 1 1 calc R . .
C54 C -0.2716(6) 1.8833(6) -0.2582(2) 0.0436(19) Uani 1 1 d . . .
H54 H -0.3251 1.8776 -0.2751 0.052 Uiso 1 1 calc R . .
C55 C -0.1783(6) 1.9243(5) -0.2846(2) 0.0306(15) Uani 1 1 d . . .
C56 C -0.1002(6) 1.9316(5) -0.2591(2) 0.0376(17) Uani 1 1 d . . .
H56 H -0.0363 1.9575 -0.2765 0.045 Uiso 1 1 calc R . .
C57 C -0.1159(6) 1.9001(6) -0.2067(2) 0.0394(18) Uani 1 1 d . . .
H57 H -0.0630 1.9070 -0.1897 0.047 Uiso 1 1 calc R . .
C58 C -0.3696(5) 1.6234(4) -0.0211(2) 0.0245(13) Uani 1 1 d . . .
C59 C -0.1270(5) 1.8801(4) -0.0153(2) 0.0254(14) Uani 1 1 d . . .
C60 C -0.1613(6) 1.9611(5) -0.3407(2) 0.0321(16) Uani 1 1 d . . .
N1 N -0.6198(11) 1.3724(10) -0.6928(5) 0.124(4) Uiso 1 1 d . . .
N2 N 0.1089(7) 1.5665(7) -0.9726(3) 0.080(3) Uiso 1 1 d . . .
C61 C -0.564(2) 1.4266(17) -0.6735(9) 0.194(9) Uiso 1 1 d . . .
H61 H -0.4971 1.4356 -0.6923 0.233 Uiso 1 1 calc R . .
C62 C -0.702(2) 1.3151(19) -0.6589(10) 0.241(12) Uiso 1 1 d . . .
H62A H -0.7348 1.2783 -0.6766 0.362 Uiso 1 1 calc R . .
H62B H -0.7529 1.3592 -0.6450 0.362 Uiso 1 1 calc R . .
H62C H -0.6733 1.2694 -0.6324 0.362 Uiso 1 1 calc R . .
C63 C -0.5716(17) 1.3535(15) -0.7431(8) 0.184(8) Uiso 1 1 d . . .
H63A H -0.6163 1.3121 -0.7526 0.276 Uiso 1 1 calc R . .
H63B H -0.5044 1.3204 -0.7410 0.276 Uiso 1 1 calc R . .
H63C H -0.5635 1.4160 -0.7676 0.276 Uiso 1 1 calc R . .
C64 C 0.0771(9) 1.6618(8) -0.9748(4) 0.078(3) Uiso 1 1 d . . .
H64 H 0.0680 1.7025 -1.0057 0.094 Uiso 1 1 calc R . .
C65 C 0.1389(11) 1.5333(10) -1.0198(5) 0.108(4) Uiso 1 1 d . . .
H65A H 0.1600 1.4638 -1.0123 0.162 Uiso 1 1 calc R . .
H65B H 0.1959 1.5718 -1.0406 0.162 Uiso 1 1 calc R . .
H65C H 0.0802 1.5425 -1.0370 0.162 Uiso 1 1 calc R . .
C66 C 0.1146(12) 1.5013(11) -0.9241(6) 0.125(5) Uiso 1 1 d . . .
H66A H 0.1387 1.4359 -0.9279 0.187 Uiso 1 1 calc R . .
H66B H 0.0465 1.4975 -0.9036 0.187 Uiso 1 1 calc R . .
H66C H 0.1625 1.5274 -0.9084 0.187 Uiso 1 1 calc R . .
O35 O 0.6030(5) 0.1529(5) -0.0040(2) 0.0651(17) Uiso 1 1 d . . .
N3 N 0.5442(6) 0.0177(5) 0.0565(3) 0.0529(17) Uiso 1 1 d . . .
C67 C 0.5395(9) 0.1139(8) 0.0334(4) 0.072(3) Uiso 1 1 d . . .
H67 H 0.4859 0.1540 0.0460 0.086 Uiso 1 1 calc R . .
C68 C 0.4647(11) -0.0189(10) 0.0996(5) 0.111(4) Uiso 1 1 d . . .
H68A H 0.4777 -0.0889 0.1129 0.166 Uiso 1 1 calc R . .
H68B H 0.3970 -0.0090 0.0898 0.166 Uiso 1 1 calc R . .
H68C H 0.4667 0.0168 0.1248 0.166 Uiso 1 1 calc R . .
C69 C 0.6258(10) -0.0492(9) 0.0421(5) 0.095(4) Uiso 1 1 d . . .
H69A H 0.6146 -0.1146 0.0638 0.143 Uiso 1 1 calc R . .
H69B H 0.6919 -0.0261 0.0446 0.143 Uiso 1 1 calc R . .
H69C H 0.6261 -0.0522 0.0081 0.143 Uiso 1 1 calc R . .
O36 O 0.2176(6) 0.7490(5) 0.3446(3) 0.0737(19) Uiso 1 1 d . . .
N4 N 0.2864(6) 0.7729(6) 0.2629(3) 0.062(2) Uiso 1 1 d . . .
C70 C 0.2424(8) 0.8040(8) 0.3027(4) 0.073(3) Uiso 1 1 d . . .
H70 H 0.2289 0.8723 0.2990 0.088 Uiso 1 1 calc R . .
C71 C 0.3081(10) 0.8437(9) 0.2139(4) 0.091(4) Uiso 1 1 d . . .
H71A H 0.3424 0.8088 0.1893 0.137 Uiso 1 1 calc R . .
H71B H 0.3527 0.8945 0.2156 0.137 Uiso 1 1 calc R . .
H71C H 0.2436 0.8740 0.2045 0.137 Uiso 1 1 calc R . .
C72 C 0.3213(10) 0.6679(8) 0.2678(4) 0.089(3) Uiso 1 1 d . . .
H72A H 0.3533 0.6579 0.2355 0.134 Uiso 1 1 calc R . .
H72B H 0.2622 0.6258 0.2809 0.134 Uiso 1 1 calc R . .
H72C H 0.3713 0.6513 0.2901 0.134 Uiso 1 1 calc R . .
O37 O 0.8654(6) 0.3866(5) 0.5109(3) 0.0743(19) Uiso 1 1 d . . .
N5 N 0.9852(6) 0.4541(5) 0.4433(3) 0.0534(17) Uiso 1 1 d . . .
C73 C 0.8918(8) 0.4494(7) 0.4714(4) 0.064(2) Uiso 1 1 d . . .
H73 H 0.8416 0.4973 0.4607 0.076 Uiso 1 1 calc R . .
C74 C 1.0070(10) 0.5342(9) 0.3990(4) 0.091(4) Uiso 1 1 d . . .
H74A H 1.0782 0.5276 0.3830 0.137 Uiso 1 1 calc R . .
H74B H 0.9964 0.5972 0.4081 0.137 Uiso 1 1 calc R . .
H74C H 0.9609 0.5312 0.3763 0.137 Uiso 1 1 calc R . .
C75 C 1.0637(9) 0.3816(8) 0.4564(4) 0.084(3) Uiso 1 1 d . . .
H75A H 1.1266 0.3964 0.4322 0.126 Uiso 1 1 calc R . .
H75B H 1.0409 0.3168 0.4569 0.126 Uiso 1 1 calc R . .
H75C H 1.0772 0.3821 0.4889 0.126 Uiso 1 1 calc R . .
O38 O 0.7068(12) 0.4129(12) 0.2112(6) 0.199(6) Uiso 1 1 d . . .
N6 N 0.808(2) 0.252(2) 0.2257(11) 0.299(13) Uiso 1 1 d D . .
C76 C 0.728(2) 0.310(2) 0.2455(12) 0.245(13) Uiso 1 1 d D . .
H76 H 0.6890 0.2885 0.2774 0.294 Uiso 1 1 calc R . .
C77 C 0.859(3) 0.292(2) 0.1776(12) 0.314(18) Uiso 1 1 d D . .
H77A H 0.9136 0.2461 0.1681 0.471 Uiso 1 1 calc R . .
H77B H 0.8899 0.3540 0.1767 0.471 Uiso 1 1 calc R . .
H77C H 0.8106 0.3046 0.1548 0.471 Uiso 1 1 calc R . .
C78 C 0.805(3) 0.169(2) 0.2675(12) 0.315(18) Uiso 1 1 d D . .
H78A H 0.8591 0.1208 0.2598 0.473 Uiso 1 1 calc R . .
H78B H 0.7382 0.1389 0.2747 0.473 Uiso 1 1 calc R . .
H78C H 0.8168 0.1907 0.2960 0.473 Uiso 1 1 calc R . .
O39 O 0.6115(19) 0.2065(16) 0.3339(9) 0.280(9) Uiso 1 1 d D . .
N7 N 0.560(3) 0.115(3) 0.4253(13) 0.45(2) Uiso 1 1 d D . .
C79 C 0.540(3) 0.187(3) 0.3802(12) 0.321(18) Uiso 1 1 d D . .
H79 H 0.4761 0.2229 0.3816 0.385 Uiso 1 1 calc R . .
C80 C 0.529(3) 0.145(2) 0.4713(11) 0.289(16) Uiso 1 1 d D . .
H80A H 0.4709 0.1920 0.4684 0.433 Uiso 1 1 calc R . .
H80B H 0.5865 0.1756 0.4783 0.433 Uiso 1 1 calc R . .
H80C H 0.5087 0.0876 0.4979 0.433 Uiso 1 1 calc R . .
C81 C 0.654(2) 0.057(2) 0.4117(11) 0.274(14) Uiso 1 1 d D . .
H81A H 0.6592 0.0523 0.3776 0.411 Uiso 1 1 calc R . .
H81B H 0.6498 -0.0093 0.4333 0.411 Uiso 1 1 calc R . .
H81C H 0.7141 0.0884 0.4152 0.411 Uiso 1 1 calc R . .
O1W O 0.6449(8) 0.5802(7) 0.2514(4) 0.122(3) Uiso 1 1 d . . .
O2W O 0.5949(8) 0.7219(8) 0.1684(4) 0.128(3) Uiso 1 1 d . . .
O3W O 0.7829(13) 0.6879(12) 0.1110(6) 0.213(6) Uiso 1 1 d . . .
H25A H -0.364(3) 2.012(6) -0.445(8) 0.319 Uiso 1 1 d D . .
H25B H -0.352(4) 2.115(10) -0.431(8) 0.319 Uiso 1 1 d D . .
H26A H -0.192(15) 2.213(4) -0.403(5) 0.319 Uiso 1 1 d D . .
H26B H -0.105(14) 2.252(5) -0.451(6) 0.319 Uiso 1 1 d D . .
H28A H -0.665(11) 1.618(5) -0.498(4) 0.319 Uiso 1 1 d D . .
H28B H -0.625(15) 1.716(3) -0.5406(19) 0.319 Uiso 1 1 d D . .
H29A H -0.744(4) 1.649(5) -0.609(8) 0.319 Uiso 1 1 d D . .
H29B H -0.772(4) 1.535(3) -0.587(8) 0.319 Uiso 1 1 d D . .
H31A H 0.278(2) 1.867(10) -0.946(6) 0.319 Uiso 1 1 d D . .
H31B H 0.241(4) 1.766(6) -0.908(7) 0.319 Uiso 1 1 d D . .
H32A H -0.697(3) 1.496(15) -0.123(5) 0.319 Uiso 1 1 d D . .
H32B H -0.622(8) 1.429(11) -0.155(6) 0.319 Uiso 1 1 d D . .
H33A H -0.398(7) 1.278(8) -0.108(7) 0.319 Uiso 1 1 d D . .
H33B H -0.490(15) 1.312(5) -0.140(5) 0.319 Uiso 1 1 d D . .
H34A H -0.357(15) 1.372(6) 0.001(5) 0.319 Uiso 1 1 d D . .
H34B H -0.368(15) 1.288(4) -0.027(6) 0.319 Uiso 1 1 d D . .


_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
Tb1 O1 2.335(4) 2_594 ?
Tb1 O10 2.360(4) 2_584 ?
Tb1 O9 2.380(4) 1_565 ?
Tb1 O2 2.414(5) . ?
Tb1 O26 2.426(5) . ?
Tb1 O24 2.462(5) . ?
Tb1 O25 2.466(6) . ?
Tb1 O23 2.472(5) . ?
Tb1 C60 2.816(6) . ?
Tb1 O1 2.831(5) . ?
Tb1 C13 2.990(6) . ?
Tb1 Eu1 4.0386(15) 2_594 ?
Tb2 O17 2.288(4) . ?
Tb2 O3 2.315(5) . ?
Tb2 O4 2.322(4) 2_484 ?
Tb2 O27 2.335(6) . ?
Tb2 O28 2.464(5) . ?
Tb2 O29 2.468(5) . ?
Tb2 O8 2.471(4) . ?
Tb2 O7 2.503(4) . ?
Tb2 C28 2.856(6) . ?
Tb3 O21 2.300(4) 2_594 ?
Tb3 O13 2.339(4) . ?
Tb3 O22 2.396(5) 1_554 ?
Tb3 O14 2.397(4) 2_593 ?
Tb3 O30 2.407(5) . ?
Tb3 O5 2.449(5) . ?
Tb3 O31 2.459(5) . ?
Tb3 O6 2.460(4) . ?
Tb3 C15 2.814(6) . ?
Tb4 O19 2.309(5) . ?
Tb4 O20 2.315(4) 2_485 ?
Tb4 O12 2.321(5) 2_584 ?
Tb4 O33 2.437(5) . ?
Tb4 O15 2.448(4) 2_494 ?
Tb4 O32 2.450(7) . ?
Tb4 O34 2.461(5) . ?
Tb4 O16 2.476(4) 2_494 ?
Tb4 C44 2.818(6) 2_494 ?
O1 C13 1.260(7) . ?
O1 Eu1 2.335(4) 2_594 ?
O1 Tb1 2.335(4) 2_594 ?
O2 C13 1.259(7) . ?
O3 C14 1.261(8) . ?
O4 C14 1.244(7) . ?
O4 Eu2 2.322(4) 2_484 ?
O4 Tb2 2.322(4) 2_484 ?
O5 C15 1.248(8) . ?
O6 C15 1.248(8) . ?
O7 C28 1.268(7) . ?
O8 C28 1.268(7) . ?
O9 C29 1.250(7) . ?
O9 Eu1 2.380(4) 1_545 ?
O9 Tb1 2.380(4) 1_545 ?
O10 C29 1.254(8) . ?
O10 Eu1 2.360(4) 2_584 ?
O10 Tb1 2.360(4) 2_584 ?
O11 C30 1.250(8) . ?
O12 C30 1.274(8) . ?
O12 Eu4 2.321(5) 2_584 ?
O12 Tb4 2.321(5) 2_584 ?
O13 C43 1.243(7) . ?
O14 C43 1.269(7) . ?
O14 Eu3 2.397(4) 2_593 ?
O14 Tb3 2.397(4) 2_593 ?
O15 C44 1.253(8) . ?
O15 Eu4 2.448(4) 2_494 ?
O15 Tb4 2.448(4) 2_494 ?
O16 C44 1.260(7) . ?
O16 Eu4 2.476(4) 2_494 ?
O16 Tb4 2.476(4) 2_494 ?
O17 C45 1.263(8) . ?
O18 C45 1.233(8) . ?
O19 C58 1.236(8) . ?
O20 C58 1.250(7) . ?
O20 Eu4 2.315(4) 2_485 ?
O20 Tb4 2.315(4) 2_485 ?
O21 C59 1.247(7) . ?
O21 Eu3 2.300(4) 2_594 ?
O21 Tb3 2.300(4) 2_594 ?
O22 C59 1.256(8) . ?
O22 Eu3 2.396(5) 1_556 ?
O22 Tb3 2.396(5) 1_556 ?
O23 C60 1.249(9) . ?
O24 C60 1.252(8) . ?
O25 H25A 1.025(19) . ?
O25 H25B 1.013(19) . ?
O26 H26A 1.024(17) . ?
O26 H26B 1.024(17) . ?
O27 C61 1.05(2) . ?
O28 H28A 0.99(2) . ?
O28 H28B 1.00(2) . ?
O29 H29A 1.012(18) . ?
O29 H29B 1.011(18) . ?
O30 C64 1.281(12) . ?
O31 H31A 1.021(19) . ?
O31 H31B 1.016(19) . ?
O32 H32A 0.99(2) . ?
O32 H32B 0.99(2) . ?
O33 H33A 1.01(2) . ?
O33 H33B 1.01(2) . ?
O34 H34A 1.015(18) . ?
O34 H34B 1.015(18) . ?
C1 C2 1.386(8) . ?
C1 C6 1.393(8) . ?
C1 C13 1.508(9) . ?
C2 C3 1.385(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.374(8) . ?
C3 C14 1.503(8) . ?
C4 C5 1.412(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.394(9) . ?
C5 C7 1.490(8) . ?
C6 H6 0.9300 . ?
C7 C12 1.370(10) . ?
C7 C8 1.407(10) . ?
C8 C9 1.386(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.368(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.387(10) . ?
C10 C15 1.500(8) . ?
C11 C12 1.383(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 Eu2 3.263(6) 2_484 ?
C16 C17 1.382(8) . ?
C16 C21 1.390(9) . ?
C16 C28 1.488(9) . ?
C17 C18 1.400(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.376(9) . ?
C18 C29 1.525(8) . ?
C19 C20 1.398(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.383(9) . ?
C20 C22 1.499(9) . ?
C21 H21 0.9300 . ?
C22 C27 1.374(10) . ?
C22 C23 1.385(10) . ?
C23 C24 1.390(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.383(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.381(10) . ?
C25 C30 1.497(9) . ?
C26 C27 1.390(10) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C31 C36 1.381(8) . ?
C31 C32 1.388(8) . ?
C31 C43 1.504(8) . ?
C32 C33 1.389(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.383(9) . ?
C33 C44 1.499(9) . ?
C34 C35 1.388(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.402(9) . ?
C35 C37 1.481(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.385(9) . ?
C37 C42 1.392(10) . ?
C38 C39 1.391(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.378(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.380(10) . ?
C40 C45 1.515(9) . ?
C41 C42 1.394(9) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C44 Eu4 2.818(6) 2_494 ?
C44 Tb4 2.818(6) 2_494 ?
C46 C47 1.381(8) . ?
C46 C51 1.401(8) . ?
C46 C58 1.493(8) . ?
C47 C48 1.392(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.379(8) . ?
C48 C59 1.491(9) . ?
C49 C50 1.398(9) . ?
C49 H49 0.9300 . ?
C50 C51 1.388(8) . ?
C50 C52 1.486(8) . ?
C51 H51 0.9300 . ?
C52 C53 1.375(10) . ?
C52 C57 1.388(9) . ?
C53 C54 1.377(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.381(10) . ?
C54 H54 0.9300 . ?
C55 C56 1.369(10) . ?
C55 C60 1.504(8) . ?
C56 C57 1.401(9) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C59 Eu3 3.197(6) 1_556 ?
N1 C61 1.34(2) . ?
N1 C62 1.43(2) . ?
N1 C63 1.51(2) . ?
N2 C64 1.340(13) . ?
N2 C66 1.444(16) . ?
N2 C65 1.478(14) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O35 C67 1.241(11) . ?
N3 C67 1.328(12) . ?
N3 C69 1.422(13) . ?
N3 C68 1.449(14) . ?
C67 H67 0.9300 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O36 C70 1.232(11) . ?
N4 C70 1.309(12) . ?
N4 C71 1.467(13) . ?
N4 C72 1.468(13) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O37 C73 1.234(11) . ?
N5 C73 1.316(11) . ?
N5 C75 1.407(12) . ?
N5 C74 1.443(13) . ?
C73 H73 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
O38 C76 1.54(3) . ?
N6 C76 1.381(18) . ?
N6 C77 1.386(18) . ?
N6 C78 1.422(18) . ?
C76 H76 0.9300 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
O39 C79 1.428(18) . ?
N7 C80 1.428(19) . ?
N7 C81 1.450(19) . ?
N7 C79 1.458(19) . ?
C79 H79 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Tb1 O10 74.73(16) 2_594 2_584 ?
O1 Tb1 O9 79.46(16) 2_594 1_565 ?
O10 Tb1 O9 133.33(15) 2_584 1_565 ?
O1 Tb1 O2 125.25(16) 2_594 . ?
O10 Tb1 O2 76.33(17) 2_584 . ?
O9 Tb1 O2 88.28(17) 1_565 . ?
O1 Tb1 O26 82.6(2) 2_594 . ?
O10 Tb1 O26 139.3(2) 2_584 . ?
O9 Tb1 O26 72.41(17) 1_565 . ?
O2 Tb1 O26 143.1(2) . . ?
O1 Tb1 O24 84.71(16) 2_594 . ?
O10 Tb1 O24 74.42(17) 2_584 . ?
O9 Tb1 O24 140.81(16) 1_565 . ?
O2 Tb1 O24 129.45(16) . . ?
O26 Tb1 O24 70.14(18) . . ?
O1 Tb1 O25 150.27(19) 2_594 . ?
O10 Tb1 O25 134.54(19) 2_584 . ?
O9 Tb1 O25 74.8(2) 1_565 . ?
O2 Tb1 O25 69.01(19) . . ?
O26 Tb1 O25 75.6(2) . . ?
O24 Tb1 O25 106.1(2) . . ?
O1 Tb1 O23 133.80(17) 2_594 . ?
O10 Tb1 O23 77.02(18) 2_584 . ?
O9 Tb1 O23 144.30(18) 1_565 . ?
O2 Tb1 O23 81.19(17) . . ?
O26 Tb1 O23 96.3(2) . . ?
O24 Tb1 O23 52.62(17) . . ?
O25 Tb1 O23 69.5(2) . . ?
O1 Tb1 C60 109.21(19) 2_594 . ?
O10 Tb1 C60 72.96(17) 2_584 . ?
O9 Tb1 C60 153.36(17) 1_565 . ?
O2 Tb1 C60 105.16(18) . . ?
O26 Tb1 C60 83.55(19) . . ?
O24 Tb1 C60 26.36(18) . . ?
O25 Tb1 C60 88.4(2) . . ?
O23 Tb1 C60 26.30(19) . . ?
O1 Tb1 O1 77.58(15) 2_594 . ?
O10 Tb1 O1 69.15(14) 2_584 . ?
O9 Tb1 O1 67.70(14) 1_565 . ?
O2 Tb1 O1 48.81(14) . . ?
O26 Tb1 O1 137.92(15) . . ?
O24 Tb1 O1 142.50(16) . . ?
O25 Tb1 O1 105.55(18) . . ?
O23 Tb1 O1 124.09(17) . . ?
C60 Tb1 O1 138.04(16) . . ?
O1 Tb1 C13 102.04(17) 2_594 . ?
O10 Tb1 C13 72.05(17) 2_584 . ?
O9 Tb1 C13 76.30(16) 1_565 . ?
O2 Tb1 C13 24.04(15) . . ?
O26 Tb1 C13 146.94(19) . . ?
O24 Tb1 C13 142.48(16) . . ?
O25 Tb1 C13 86.2(2) . . ?
O23 Tb1 C13 103.04(18) . . ?
C60 Tb1 C13 123.93(18) . . ?
O1 Tb1 C13 24.80(15) . . ?
O1 Tb1 Eu1 43.20(11) 2_594 2_594 ?
O10 Tb1 Eu1 66.31(10) 2_584 2_594 ?
O9 Tb1 Eu1 68.18(11) 1_565 2_594 ?
O2 Tb1 Eu1 82.65(11) . 2_594 ?
O26 Tb1 Eu1 116.48(15) . 2_594 ?
O24 Tb1 Eu1 120.18(13) . 2_594 ?
O25 Tb1 Eu1 133.63(16) . 2_594 ?
O23 Tb1 Eu1 142.47(15) . 2_594 ?
C60 Tb1 Eu1 135.35(15) . 2_594 ?
O1 Tb1 Eu1 34.38(9) . 2_594 ?
C13 Tb1 Eu1 58.96(12) . 2_594 ?
O17 Tb2 O3 90.36(19) . . ?
O17 Tb2 O4 154.12(18) . 2_484 ?
O3 Tb2 O4 104.67(17) . 2_484 ?
O17 Tb2 O27 96.0(2) . . ?
O3 Tb2 O27 147.4(2) . . ?
O4 Tb2 O27 82.7(2) 2_484 . ?
O17 Tb2 O28 78.75(16) . . ?
O3 Tb2 O28 72.85(19) . . ?
O4 Tb2 O28 85.61(17) 2_484 . ?
O27 Tb2 O28 139.7(2) . . ?
O17 Tb2 O29 80.36(19) . . ?
O3 Tb2 O29 141.07(19) . . ?
O4 Tb2 O29 74.70(18) 2_484 . ?
O27 Tb2 O29 71.5(2) . . ?
O28 Tb2 O29 68.27(19) . . ?
O17 Tb2 O8 129.94(16) . . ?
O3 Tb2 O8 71.56(18) . . ?
O4 Tb2 O8 75.48(16) 2_484 . ?
O27 Tb2 O8 80.1(2) . . ?
O28 Tb2 O8 133.43(16) . . ?
O29 Tb2 O8 140.82(16) . . ?
O17 Tb2 O7 78.10(16) . . ?
O3 Tb2 O7 75.55(18) . . ?
O4 Tb2 O7 125.65(16) 2_484 . ?
O27 Tb2 O7 74.6(2) . . ?
O28 Tb2 O7 140.35(17) . . ?
O29 Tb2 O7 137.26(17) . . ?
O8 Tb2 O7 52.54(14) . . ?
O17 Tb2 C28 103.86(17) . . ?
O3 Tb2 C28 70.24(19) . . ?
O4 Tb2 C28 101.05(18) 2_484 . ?
O27 Tb2 C28 77.2(2) . . ?
O28 Tb2 C28 143.00(19) . . ?
O29 Tb2 C28 148.69(19) . . ?
O8 Tb2 C28 26.29(15) . . ?
O7 Tb2 C28 26.31(15) . . ?
O21 Tb3 O13 75.45(18) 2_594 . ?
O21 Tb3 O22 121.92(17) 2_594 1_554 ?
O13 Tb3 O22 75.23(18) . 1_554 ?
O21 Tb3 O14 77.38(16) 2_594 2_593 ?
O13 Tb3 O14 124.90(15) . 2_593 ?
O22 Tb3 O14 80.14(17) 1_554 2_593 ?
O21 Tb3 O30 146.71(19) 2_594 . ?
O13 Tb3 O30 137.21(19) . . ?
O22 Tb3 O30 72.91(19) 1_554 . ?
O14 Tb3 O30 76.41(17) 2_593 . ?
O21 Tb3 O5 85.91(17) 2_594 . ?
O13 Tb3 O5 78.15(19) . . ?
O22 Tb3 O5 133.81(16) 1_554 . ?
O14 Tb3 O5 145.49(17) 2_593 . ?
O30 Tb3 O5 104.7(2) . . ?
O21 Tb3 O31 80.83(19) 2_594 . ?
O13 Tb3 O31 142.16(19) . . ?
O22 Tb3 O31 142.57(19) 1_554 . ?
O14 Tb3 O31 76.55(17) 2_593 . ?
O30 Tb3 O31 73.4(2) . . ?
O5 Tb3 O31 71.07(19) . . ?
O21 Tb3 O6 133.13(16) 2_594 . ?
O13 Tb3 O6 75.53(16) . . ?
O22 Tb3 O6 84.38(16) 1_554 . ?
O14 Tb3 O6 149.19(15) 2_593 . ?
O30 Tb3 O6 73.62(17) . . ?
O5 Tb3 O6 52.52(16) . . ?
O31 Tb3 O6 101.29(18) . . ?
O21 Tb3 C15 109.47(18) 2_594 . ?
O13 Tb3 C15 74.16(17) . . ?
O22 Tb3 C15 109.00(19) 1_554 . ?
O14 Tb3 C15 160.89(17) 2_593 . ?
O30 Tb3 C15 90.03(19) . . ?
O5 Tb3 C15 26.27(18) . . ?
O31 Tb3 C15 86.80(19) . . ?
O6 Tb3 C15 26.30(18) . . ?
O19 Tb4 O20 105.81(17) . 2_485 ?
O19 Tb4 O12 85.07(18) . 2_584 ?
O20 Tb4 O12 153.07(17) 2_485 2_584 ?
O19 Tb4 O33 140.40(19) . . ?
O20 Tb4 O33 80.33(17) 2_485 . ?
O12 Tb4 O33 76.01(18) 2_584 . ?
O19 Tb4 O15 79.99(18) . 2_494 ?
O20 Tb4 O15 125.92(17) 2_485 2_494 ?
O12 Tb4 O15 79.72(16) 2_584 2_494 ?
O33 Tb4 O15 128.64(18) . 2_494 ?
O19 Tb4 O32 146.9(2) . . ?
O20 Tb4 O32 77.0(2) 2_485 . ?
O12 Tb4 O32 107.4(2) 2_584 . ?
O33 Tb4 O32 72.6(2) . . ?
O15 Tb4 O32 72.6(2) 2_494 . ?
O19 Tb4 O34 72.51(16) . . ?
O20 Tb4 O34 76.83(18) 2_485 . ?
O12 Tb4 O34 83.41(17) 2_584 . ?
O33 Tb4 O34 71.01(18) . . ?
O15 Tb4 O34 148.78(18) 2_494 . ?
O32 Tb4 O34 138.00(19) . . ?
O19 Tb4 O16 74.21(17) . 2_494 ?
O20 Tb4 O16 76.53(16) 2_485 2_494 ?
O12 Tb4 O16 130.40(15) 2_584 2_494 ?
O33 Tb4 O16 143.21(18) . 2_494 ?
O15 Tb4 O16 52.88(14) 2_494 2_494 ?
O32 Tb4 O16 74.5(2) . 2_494 ?
O34 Tb4 O16 129.09(15) . 2_494 ?
O19 Tb4 C44 76.24(19) . 2_494 ?
O20 Tb4 C44 101.26(18) 2_485 2_494 ?
O12 Tb4 C44 105.29(17) 2_584 2_494 ?
O33 Tb4 C44 142.1(2) . 2_494 ?
O15 Tb4 C44 26.35(16) 2_494 2_494 ?
O32 Tb4 C44 71.0(2) . 2_494 ?
O34 Tb4 C44 146.68(17) . 2_494 ?
O16 Tb4 C44 26.54(15) 2_494 2_494 ?
C13 O1 Eu1 168.1(4) . 2_594 ?
C13 O1 Tb1 168.1(4) . 2_594 ?
Eu1 O1 Tb1 0.00(2) 2_594 2_594 ?
C13 O1 Tb1 84.7(4) . . ?
Eu1 O1 Tb1 102.42(15) 2_594 . ?
Tb1 O1 Tb1 102.42(15) 2_594 . ?
C13 O2 Tb1 104.6(4) . . ?
C14 O3 Tb2 155.0(5) . . ?
C14 O4 Eu2 130.0(4) . 2_484 ?
C14 O4 Tb2 130.0(4) . 2_484 ?
Eu2 O4 Tb2 0.00(2) 2_484 2_484 ?
C15 O5 Tb3 93.4(4) . . ?
C15 O6 Tb3 92.9(4) . . ?
C28 O7 Tb2 92.6(4) . . ?
C28 O8 Tb2 94.1(4) . . ?
C29 O9 Eu1 135.5(4) . 1_545 ?
C29 O9 Tb1 135.5(4) . 1_545 ?
Eu1 O9 Tb1 0.000(9) 1_545 1_545 ?
C29 O10 Eu1 139.0(4) . 2_584 ?
C29 O10 Tb1 139.0(4) . 2_584 ?
Eu1 O10 Tb1 0.000(17) 2_584 2_584 ?
C30 O12 Eu4 138.7(4) . 2_584 ?
C30 O12 Tb4 138.7(4) . 2_584 ?
Eu4 O12 Tb4 0.000(12) 2_584 2_584 ?
C43 O13 Tb3 145.2(4) . . ?
C43 O14 Eu3 140.1(4) . 2_593 ?
C43 O14 Tb3 140.1(4) . 2_593 ?
Eu3 O14 Tb3 0.000(7) 2_593 2_593 ?
C44 O15 Eu4 93.5(4) . 2_494 ?
C44 O15 Tb4 93.5(4) . 2_494 ?
Eu4 O15 Tb4 0.00(2) 2_494 2_494 ?
C44 O16 Eu4 92.0(4) . 2_494 ?
C44 O16 Tb4 92.0(4) . 2_494 ?
Eu4 O16 Tb4 0.000(15) 2_494 2_494 ?
C45 O17 Tb2 140.1(4) . . ?
C58 O19 Tb4 173.3(5) . . ?
C58 O20 Eu4 133.1(4) . 2_485 ?
C58 O20 Tb4 133.1(4) . 2_485 ?
Eu4 O20 Tb4 0.000(12) 2_485 2_485 ?
C59 O21 Eu3 173.4(5) . 2_594 ?
C59 O21 Tb3 173.4(5) . 2_594 ?
Eu3 O21 Tb3 0.000(16) 2_594 2_594 ?
C59 O22 Eu3 118.8(4) . 1_556 ?
C59 O22 Tb3 118.8(4) . 1_556 ?
Eu3 O22 Tb3 0.000(14) 1_556 1_556 ?
C60 O23 Tb1 92.4(4) . . ?
C60 O24 Tb1 92.8(4) . . ?
Tb1 O25 H25A 126(2) . . ?
Tb1 O25 H25B 128(2) . . ?
H25A O25 H25B 102(2) . . ?
Tb1 O26 H26A 129(2) . . ?
Tb1 O26 H26B 129(2) . . ?
H26A O26 H26B 101.2(17) . . ?
C61 O27 Tb2 160.0(16) . . ?
Tb2 O28 H28A 123(2) . . ?
Tb2 O28 H28B 121(2) . . ?
H28A O28 H28B 107(3) . . ?
Tb2 O29 H29A 128(2) . . ?
Tb2 O29 H29B 128(2) . . ?
H29A O29 H29B 103(2) . . ?
C64 O30 Tb3 125.3(6) . . ?
Tb3 O31 H31A 127(2) . . ?
Tb3 O31 H31B 128(2) . . ?
H31A O31 H31B 102(2) . . ?
Tb4 O32 H32A 124(2) . . ?
Tb4 O32 H32B 123(2) . . ?
H32A O32 H32B 107(3) . . ?
Tb4 O33 H33A 122(2) . . ?
Tb4 O33 H33B 122(2) . . ?
H33A O33 H33B 105(3) . . ?
Tb4 O34 H34A 128(2) . . ?
Tb4 O34 H34B 128(2) . . ?
H34A O34 H34B 103(2) . . ?
C2 C1 C6 120.3(6) . . ?
C2 C1 C13 118.6(5) . . ?
C6 C1 C13 121.1(5) . . ?
C3 C2 C1 119.6(5) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C4 C3 C2 120.5(6) . . ?
C4 C3 C14 120.4(6) . . ?
C2 C3 C14 119.1(5) . . ?
C3 C4 C5 120.9(6) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 118.0(6) . . ?
C6 C5 C7 122.3(6) . . ?
C4 C5 C7 119.7(6) . . ?
C1 C6 C5 120.6(6) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C12 C7 C8 117.1(6) . . ?
C12 C7 C5 121.9(6) . . ?
C8 C7 C5 120.9(6) . . ?
C9 C8 C7 119.7(7) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 122.3(7) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C11 117.7(6) . . ?
C9 C10 C15 120.7(6) . . ?
C11 C10 C15 121.4(6) . . ?
C12 C11 C10 120.1(7) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C7 C12 C11 122.5(7) . . ?
C7 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
O2 C13 O1 121.7(6) . . ?
O2 C13 C1 117.4(5) . . ?
O1 C13 C1 120.9(5) . . ?
O2 C13 Tb1 51.4(3) . . ?
O1 C13 Tb1 70.5(3) . . ?
C1 C13 Tb1 167.9(4) . . ?
O4 C14 O3 123.0(6) . . ?
O4 C14 C3 118.8(6) . . ?
O3 C14 C3 118.2(5) . . ?
O4 C14 Eu2 33.1(3) . 2_484 ?
O3 C14 Eu2 90.0(4) . 2_484 ?
C3 C14 Eu2 151.4(4) . 2_484 ?
O5 C15 O6 121.0(6) . . ?
O5 C15 C10 119.3(6) . . ?
O6 C15 C10 119.7(6) . . ?
O5 C15 Tb3 60.3(3) . . ?
O6 C15 Tb3 60.8(3) . . ?
C10 C15 Tb3 174.8(5) . . ?
C17 C16 C21 118.9(6) . . ?
C17 C16 C28 120.8(5) . . ?
C21 C16 C28 120.3(5) . . ?
C16 C17 C18 120.3(6) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 119.6(6) . . ?
C19 C18 C29 120.3(6) . . ?
C17 C18 C29 120.0(5) . . ?
C18 C19 C20 121.3(6) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C21 C20 C19 117.9(6) . . ?
C21 C20 C22 121.9(6) . . ?
C19 C20 C22 120.0(6) . . ?
C20 C21 C16 122.1(6) . . ?
C20 C21 H21 118.9 . . ?
C16 C21 H21 118.9 . . ?
C27 C22 C23 117.9(6) . . ?
C27 C22 C20 121.8(6) . . ?
C23 C22 C20 120.3(6) . . ?
C22 C23 C24 121.5(7) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C25 C24 C23 120.0(7) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 118.7(6) . . ?
C26 C25 C30 121.4(6) . . ?
C24 C25 C30 119.9(6) . . ?
C25 C26 C27 120.7(6) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C22 C27 C26 121.2(7) . . ?
C22 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
O7 C28 O8 120.5(6) . . ?
O7 C28 C16 119.7(5) . . ?
O8 C28 C16 119.7(5) . . ?
O7 C28 Tb2 61.1(3) . . ?
O8 C28 Tb2 59.6(3) . . ?
C16 C28 Tb2 172.7(5) . . ?
O9 C29 O10 127.2(6) . . ?
O9 C29 C18 117.3(6) . . ?
O10 C29 C18 115.5(5) . . ?
O11 C30 O12 123.8(6) . . ?
O11 C30 C25 119.7(6) . . ?
O12 C30 C25 116.5(6) . . ?
C36 C31 C32 119.2(6) . . ?
C36 C31 C43 119.7(5) . . ?
C32 C31 C43 121.1(5) . . ?
C31 C32 C33 120.5(5) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C34 C33 C32 119.4(6) . . ?
C34 C33 C44 119.6(6) . . ?
C32 C33 C44 121.0(5) . . ?
C33 C34 C35 121.7(6) . . ?
C33 C34 H34 119.2 . . ?
C35 C34 H34 119.2 . . ?
C34 C35 C36 117.6(6) . . ?
C34 C35 C37 120.6(6) . . ?
C36 C35 C37 121.7(6) . . ?
C31 C36 C35 121.6(6) . . ?
C31 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C38 C37 C42 117.3(6) . . ?
C38 C37 C35 120.2(6) . . ?
C42 C37 C35 122.5(6) . . ?
C37 C38 C39 121.1(7) . . ?
C37 C38 H38 119.5 . . ?
C39 C38 H38 119.5 . . ?
C40 C39 C38 120.9(7) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C39 C40 C41 119.2(6) . . ?
C39 C40 C45 119.7(6) . . ?
C41 C40 C45 121.0(6) . . ?
C40 C41 C42 119.6(7) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
C37 C42 C41 122.0(7) . . ?
C37 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
O13 C43 O14 124.4(6) . . ?
O13 C43 C31 117.8(5) . . ?
O14 C43 C31 117.8(5) . . ?
O15 C44 O16 121.5(6) . . ?
O15 C44 C33 119.2(5) . . ?
O16 C44 C33 119.3(6) . . ?
O15 C44 Eu4 60.1(3) . 2_494 ?
O16 C44 Eu4 61.4(3) . 2_494 ?
C33 C44 Eu4 178.6(5) . 2_494 ?
O15 C44 Tb4 60.1(3) . 2_494 ?
O16 C44 Tb4 61.4(3) . 2_494 ?
C33 C44 Tb4 178.6(5) . 2_494 ?
Eu4 C44 Tb4 0.000(16) 2_494 2_494 ?
O18 C45 O17 124.6(6) . . ?
O18 C45 C40 119.4(6) . . ?
O17 C45 C40 116.0(6) . . ?
C47 C46 C51 119.5(5) . . ?
C47 C46 C58 119.5(5) . . ?
C51 C46 C58 121.0(5) . . ?
C46 C47 C48 120.7(5) . . ?
C46 C47 H47 119.6 . . ?
C48 C47 H47 119.6 . . ?
C49 C48 C47 119.1(6) . . ?
C49 C48 C59 121.0(5) . . ?
C47 C48 C59 119.9(5) . . ?
C48 C49 C50 121.5(6) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 H49 119.3 . . ?
C51 C50 C49 118.6(6) . . ?
C51 C50 C52 120.5(6) . . ?
C49 C50 C52 120.9(5) . . ?
C50 C51 C46 120.6(6) . . ?
C50 C51 H51 119.7 . . ?
C46 C51 H51 119.7 . . ?
C53 C52 C57 117.4(6) . . ?
C53 C52 C50 122.1(6) . . ?
C57 C52 C50 120.5(6) . . ?
C52 C53 C54 122.1(7) . . ?
C52 C53 H53 118.9 . . ?
C54 C53 H53 118.9 . . ?
C53 C54 C55 120.3(7) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C56 C55 C54 119.1(6) . . ?
C56 C55 C60 119.6(6) . . ?
C54 C55 C60 121.3(6) . . ?
C55 C56 C57 120.3(7) . . ?
C55 C56 H56 119.9 . . ?
C57 C56 H56 119.9 . . ?
C52 C57 C56 120.9(7) . . ?
C52 C57 H57 119.6 . . ?
C56 C57 H57 119.6 . . ?
O19 C58 O20 123.7(6) . . ?
O19 C58 C46 119.7(5) . . ?
O20 C58 C46 116.6(5) . . ?
O21 C59 O22 123.6(6) . . ?
O21 C59 C48 118.4(6) . . ?
O22 C59 C48 118.0(5) . . ?
O21 C59 Eu3 83.9(4) . 1_556 ?
O22 C59 Eu3 41.1(3) . 1_556 ?
C48 C59 Eu3 154.2(4) . 1_556 ?
O23 C60 O24 122.0(6) . . ?
O23 C60 C55 119.4(6) . . ?
O24 C60 C55 118.6(6) . . ?
O23 C60 Tb1 61.3(3) . . ?
O24 C60 Tb1 60.8(3) . . ?
C55 C60 Tb1 176.5(5) . . ?
C61 N1 C62 116.9(19) . . ?
C61 N1 C63 116.4(18) . . ?
C62 N1 C63 124.1(17) . . ?
C64 N2 C66 118.1(11) . . ?
C64 N2 C65 119.0(10) . . ?
C66 N2 C65 122.9(11) . . ?
O27 C61 N1 140(3) . . ?
O27 C61 H61 110.2 . . ?
N1 C61 H61 110.2 . . ?
N1 C62 H62A 109.5 . . ?
N1 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
N1 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1 C63 H63A 109.5 . . ?
N1 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N1 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O30 C64 N2 123.5(10) . . ?
O30 C64 H64 118.2 . . ?
N2 C64 H64 118.2 . . ?
N2 C65 H65A 109.5 . . ?
N2 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N2 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N2 C66 H66A 109.5 . . ?
N2 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N2 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C67 N3 C69 123.0(9) . . ?
C67 N3 C68 118.0(9) . . ?
C69 N3 C68 118.9(9) . . ?
O35 C67 N3 123.4(10) . . ?
O35 C67 H67 118.3 . . ?
N3 C67 H67 118.3 . . ?
N3 C68 H68A 109.5 . . ?
N3 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N3 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N3 C69 H69A 109.5 . . ?
N3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 N4 C71 120.5(9) . . ?
C70 N4 C72 120.0(9) . . ?
C71 N4 C72 119.4(9) . . ?
O36 C70 N4 124.4(10) . . ?
O36 C70 H70 117.8 . . ?
N4 C70 H70 117.8 . . ?
N4 C71 H71A 109.5 . . ?
N4 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N4 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N4 C72 H72A 109.5 . . ?
N4 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N4 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 N5 C75 120.3(8) . . ?
C73 N5 C74 119.7(9) . . ?
C75 N5 C74 120.0(9) . . ?
O37 C73 N5 125.4(10) . . ?
O37 C73 H73 117.3 . . ?
N5 C73 H73 117.3 . . ?
N5 C74 H74A 109.5 . . ?
N5 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N5 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N5 C75 H75A 109.5 . . ?
N5 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
N5 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 N6 C77 117(3) . . ?
C76 N6 C78 99(3) . . ?
C77 N6 C78 144(4) . . ?
N6 C76 O38 116(3) . . ?
N6 C76 H76 122.2 . . ?
O38 C76 H76 122.2 . . ?
N6 C77 H77A 109.5 . . ?
N6 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
N6 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N6 C78 H78A 109.5 . . ?
N6 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
N6 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 N7 C81 127(4) . . ?
C80 N7 C79 116(3) . . ?
C81 N7 C79 108(3) . . ?
O39 C79 N7 124(3) . . ?
O39 C79 H79 118.0 . . ?
N7 C79 H79 118.0 . . ?
N7 C80 H80A 109.5 . . ?
N7 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
N7 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N7 C81 H81A 109.5 . . ?
N7 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N7 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O25 H25B O18 1.013(19) 1.69(4) 2.685(8) 167(13) 2_494
O26 H26A O36 1.024(17) 1.81(11) 2.763(9) 154(21) 2_585
O26 H26B O37 1.024(17) 1.96(15) 2.818(9) 140(18) 1_474
O28 H28A O8 0.99(2) 2.39(18) 2.876(7) 109(13) 2_484
O28 H28B O18 1.00(2) 1.94(8) 2.708(7) 132(8) .
O29 H29A O36 1.012(18) 1.76(8) 2.736(9) 160(21) 1_464
O31 H31A O35 1.021(19) 1.94(14) 2.795(8) 140(17) 2_674
O31 H31B O11 1.016(19) 1.89(8) 2.847(7) 156(18) .
O32 H32B O2W 0.99(2) 2.20(8) 3.106(12) 151(13) 2_575
O33 H33A O11 1.01(2) 2.06(16) 2.672(7) 117(13) 2_584
O33 H33B O2W 1.01(2) 1.85(11) 2.762(12) 149(18) 2_575
O34 H34A O16 1.015(18) 1.87(11) 2.791(6) 149(18) 1_546
O34 H34B O35 1.015(18) 1.86(10) 2.814(8) 155(19) 1_465

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.968
_refine_diff_density_min         -1.163
_refine_diff_density_rms         0.137
####################################################################### 
# 
# 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_trf
_database_code_depnum_ccdc_archive 'CCDC 1028538'
_audit_update_record             
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C81 H99 Eu N7 O42 Tb3'
_chemical_formula_sum            'C81 H99 Eu N7 O42 Tb3'
_chemical_formula_weight         2471.39

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.029(3)
_cell_length_b                   13.828(3)
_cell_length_c                   28.021(6)
_cell_angle_alpha                75.72(3)
_cell_angle_beta                 79.23(3)
_cell_angle_gamma                85.59(3)
_cell_volume                     4803.5(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16862
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2456
_exptl_absorpt_coefficient_mu    2.918
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4757
_exptl_absorpt_correction_T_max  0.5118
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            27196
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             16862
_reflns_number_gt                13392
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0602P)²+3.0370P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16862
_refine_ls_number_parameters     1075
_refine_ls_number_restraints     47
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0393
_refine_ls_wR_factor_ref         0.1155
_refine_ls_wR_factor_gt          0.1087
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.005
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb -0.11987(2) 2.02129(2) -0.445970(10) 0.02069(8) Uani 0.25 1 d P . .
Tb2 Tb -0.52847(2) 1.53760(2) -0.585020(11) 0.02270(9) Uani 0.25 1 d P . .
Tb3 Tb 0.03079(2) 1.87523(2) -0.939555(10) 0.01968(8) Uani 0.25 1 d P . .
Tb4 Tb -0.48313(2) 1.48081(2) -0.085854(10) 0.02134(8) Uani 0.25 1 d P . .
Eu1 Eu -0.11987(2) 2.02129(2) -0.445970(10) 0.02069(8) Uani 0.75 1 d PD . .
Eu2 Eu -0.52847(2) 1.53760(2) -0.585020(11) 0.02270(9) Uani 0.75 1 d PD . .
Eu3 Eu 0.03079(2) 1.87523(2) -0.939555(10) 0.01968(8) Uani 0.75 1 d PD . .
Eu4 Eu -0.48313(2) 1.48081(2) -0.085854(10) 0.02134(8) Uani 0.75 1 d PD . .
O1 O -0.0542(3) 1.9319(4) -0.52797(16) 0.0335(11) Uani 1 1 d . . .
O2 O -0.2010(4) 1.8996(4) -0.47394(17) 0.0375(12) Uani 1 1 d . . .
O3 O -0.3996(4) 1.5680(4) -0.54371(19) 0.0453(13) Uani 1 1 d . . .
O4 O -0.3763(4) 1.5907(4) -0.47126(17) 0.0406(12) Uani 1 1 d . . .
O5 O 0.0455(4) 1.8893(5) -0.85555(17) 0.0508(15) Uani 1 1 d . . .
O6 O -0.0684(4) 1.7860(4) -0.85937(16) 0.0415(12) Uani 1 1 d . . .
O7 O -0.3607(3) 1.5163(4) -0.64209(16) 0.0373(12) Uani 1 1 d . . .
O8 O -0.4046(3) 1.3921(3) -0.57681(16) 0.0328(11) Uani 1 1 d . . .
O9 O -0.1310(3) 1.1345(4) -0.52396(16) 0.0351(11) Uani 1 1 d . . .
O10 O 0.0189(3) 1.1266(4) -0.57777(16) 0.0348(11) Uani 1 1 d . . .
O11 O 0.2609(4) 1.6587(4) -0.85301(19) 0.0478(14) Uani 1 1 d . . .
O12 O 0.3253(4) 1.5080(4) -0.85876(17) 0.0418(12) Uani 1 1 d . . .
O13 O -0.1107(4) 1.9833(4) -0.92225(16) 0.0370(12) Uani 1 1 d . . .
O14 O -0.1239(3) 2.1277(3) -0.97839(15) 0.0325(11) Uani 1 1 d . . .
O15 O -0.4959(4) 2.3515(4) -0.86133(16) 0.0413(13) Uani 1 1 d . . .
O16 O -0.3875(3) 2.3868(3) -0.93298(15) 0.0319(11) Uani 1 1 d . . .
O17 O -0.5096(4) 1.6942(4) -0.63682(17) 0.0427(12) Uani 1 1 d . . .
O18 O -0.5560(5) 1.8145(4) -0.5967(2) 0.0690(19) Uani 1 1 d . . .
O19 O -0.4030(4) 1.5725(4) -0.04546(18) 0.0390(12) Uani 1 1 d . . .
O20 O -0.3890(4) 1.6068(4) 0.02551(17) 0.0382(12) Uani 1 1 d . . .
O21 O -0.0988(4) 1.9684(4) -0.03307(17) 0.0385(12) Uani 1 1 d . . .
O22 O -0.1064(4) 1.8271(4) 0.02533(17) 0.0365(11) Uani 1 1 d . . .
O23 O -0.2216(4) 1.9362(5) -0.36464(18) 0.0591(17) Uani 1 1 d . . .
O24 O -0.0865(4) 2.0179(4) -0.36204(17) 0.0446(13) Uani 1 1 d . . .
O25 O -0.3087(4) 2.0603(5) -0.4448(3) 0.0678(18) Uani 1 1 d D . .
O26 O -0.1442(5) 2.1886(4) -0.4320(2) 0.0605(16) Uani 1 1 d D . .
O27 O -0.5725(5) 1.4606(5) -0.6439(2) 0.0658(18) Uani 1 1 d . . .
O28 O -0.6106(4) 1.6425(4) -0.52777(18) 0.0456(13) Uani 1 1 d D . .
O29 O -0.7137(4) 1.5814(4) -0.5933(2) 0.0474(13) Uani 1 1 d D . .
O30 O 0.0593(4) 1.6997(4) -0.9366(2) 0.0518(14) Uani 1 1 d . . .
O31 O 0.2124(4) 1.8322(5) -0.92599(19) 0.0505(14) Uani 1 1 d D . .
O32 O -0.6230(6) 1.4755(5) -0.1326(3) 0.080(2) Uani 1 1 d D . .
O33 O -0.4639(4) 1.3215(4) -0.1098(2) 0.0506(14) Uani 1 1 d D . .
O34 O -0.3824(4) 1.3621(4) -0.02950(17) 0.0390(12) Uani 1 1 d D . .
C1 C -0.1748(5) 1.8235(5) -0.5427(2) 0.0238(13) Uani 1 1 d . . .
C2 C -0.2495(5) 1.7524(5) -0.5189(2) 0.0263(14) Uani 1 1 d . . .
H2 H -0.2761 1.7450 -0.4850 0.032 Uiso 1 1 calc R . .
C3 C -0.2843(5) 1.6929(5) -0.5450(2) 0.0249(13) Uani 1 1 d . . .
C4 C -0.2480(5) 1.7053(5) -0.5957(2) 0.0296(15) Uani 1 1 d . . .
H4 H -0.2741 1.6670 -0.6135 0.036 Uiso 1 1 calc R . .
C5 C -0.1711(5) 1.7762(5) -0.6207(2) 0.0289(15) Uani 1 1 d . . .
C6 C -0.1343(5) 1.8333(5) -0.5934(2) 0.0278(14) Uani 1 1 d . . .
H6 H -0.0821 1.8786 -0.6091 0.033 Uiso 1 1 calc R . .
C7 C -0.1329(5) 1.7882(5) -0.6760(2) 0.0315(15) Uani 1 1 d . . .
C8 C -0.0384(7) 1.8319(7) -0.6982(3) 0.059(3) Uani 1 1 d . . .
H8 H 0.0027 1.8525 -0.6790 0.071 Uiso 1 1 calc R . .
C9 C -0.0051(7) 1.8448(7) -0.7498(3) 0.061(3) Uani 1 1 d . . .
H9 H 0.0583 1.8748 -0.7647 0.073 Uiso 1 1 calc R . .
C10 C -0.0637(5) 1.8143(5) -0.7788(2) 0.0317(15) Uani 1 1 d . . .
C11 C -0.1532(6) 1.7641(7) -0.7560(3) 0.046(2) Uani 1 1 d . . .
H11 H -0.1914 1.7386 -0.7748 0.055 Uiso 1 1 calc R . .
C12 C -0.1869(6) 1.7514(7) -0.7048(2) 0.049(2) Uani 1 1 d . . .
H12 H -0.2477 1.7171 -0.6898 0.059 Uiso 1 1 calc R . .
C13 C -0.1407(5) 1.8887(5) -0.5133(2) 0.0251(14) Uani 1 1 d . . .
C14 C -0.3601(5) 1.6121(5) -0.5183(2) 0.0256(14) Uani 1 1 d . . .
C15 C -0.0272(5) 1.8304(5) -0.8347(2) 0.0304(15) Uani 1 1 d . . .
C16 C -0.2338(5) 1.3827(5) -0.6251(2) 0.0294(15) Uani 1 1 d . . .
C17 C -0.2046(5) 1.2981(5) -0.5920(2) 0.0295(15) Uani 1 1 d . . .
H17 H -0.2503 1.2713 -0.5628 0.035 Uiso 1 1 calc R . .
C18 C -0.1056(5) 1.2526(5) -0.6025(2) 0.0308(15) Uani 1 1 d . . .
C19 C -0.0387(5) 1.2927(5) -0.6466(2) 0.0326(16) Uani 1 1 d . . .
H19 H 0.0262 1.2614 -0.6539 0.039 Uiso 1 1 calc R . .
C20 C -0.0666(5) 1.3790(6) -0.6804(2) 0.0357(17) Uani 1 1 d . . .
C21 C -0.1647(5) 1.4228(5) -0.6686(2) 0.0346(16) Uani 1 1 d . . .
H21 H -0.1847 1.4805 -0.6903 0.041 Uiso 1 1 calc R . .
C22 C 0.0109(5) 1.4262(6) -0.7248(2) 0.0364(17) Uani 1 1 d . . .
C23 C 0.0170(6) 1.5288(6) -0.7401(3) 0.054(2) Uani 1 1 d . . .
H23 H -0.0320 1.5682 -0.7241 0.064 Uiso 1 1 calc R . .
C24 C 0.0934(6) 1.5751(7) -0.7785(3) 0.057(2) Uani 1 1 d . . .
H24 H 0.0953 1.6444 -0.7877 0.069 Uiso 1 1 calc R . .
C25 C 0.1677(5) 1.5177(6) -0.8034(2) 0.0383(17) Uani 1 1 d . . .
C26 C 0.1597(5) 1.4152(6) -0.7892(3) 0.0415(18) Uani 1 1 d . . .
H26 H 0.2068 1.3756 -0.8059 0.050 Uiso 1 1 calc R . .
C27 C 0.0820(5) 1.3694(6) -0.7500(3) 0.0418(18) Uani 1 1 d . . .
H27 H 0.0786 1.3001 -0.7410 0.050 Uiso 1 1 calc R . .
C28 C -0.3393(5) 1.4325(5) -0.6141(2) 0.0284(15) Uani 1 1 d . . .
C29 C -0.0702(5) 1.1637(5) -0.5652(2) 0.0289(14) Uani 1 1 d . . .
C30 C 0.2564(5) 1.5647(6) -0.8414(3) 0.0381(17) Uani 1 1 d . . .
C31 C -0.2375(5) 2.1026(5) -0.8999(2) 0.0289(14) Uani 1 1 d . . .
C32 C -0.2848(5) 2.1963(5) -0.9119(2) 0.0294(15) Uani 1 1 d . . .
H32 H -0.2613 2.2396 -0.9425 0.035 Uiso 1 1 calc R . .
C33 C -0.3669(5) 2.2269(5) -0.8789(2) 0.0279(14) Uani 1 1 d . . .
C34 C -0.4009(5) 2.1622(5) -0.8333(2) 0.0336(16) Uani 1 1 d . . .
H34 H -0.4548 2.1829 -0.8108 0.040 Uiso 1 1 calc R . .
C35 C -0.3564(5) 2.0669(5) -0.8204(2) 0.0319(15) Uani 1 1 d . . .
C36 C -0.2734(5) 2.0383(5) -0.8541(2) 0.0327(15) Uani 1 1 d . . .
H36 H -0.2419 1.9752 -0.8458 0.039 Uiso 1 1 calc R . .
C37 C -0.3983(5) 1.9955(5) -0.7723(2) 0.0351(16) Uani 1 1 d . . .
C38 C -0.4008(6) 1.8954(5) -0.7703(3) 0.0435(19) Uani 1 1 d . . .
H38 H -0.3757 1.8723 -0.7990 0.052 Uiso 1 1 calc R . .
C39 C -0.4408(6) 1.8278(6) -0.7258(3) 0.0439(19) Uani 1 1 d . . .
H39 H -0.4411 1.7602 -0.7251 0.053 Uiso 1 1 calc R . .
C40 C -0.4797(5) 1.8604(5) -0.6829(2) 0.0372(17) Uani 1 1 d . . .
C41 C -0.4785(7) 1.9602(6) -0.6844(3) 0.055(2) Uani 1 1 d . . .
H41 H -0.5043 1.9829 -0.6557 0.066 Uiso 1 1 calc R . .
C42 C -0.4390(7) 2.0279(6) -0.7286(3) 0.055(2) Uani 1 1 d . . .
H42 H -0.4396 2.0955 -0.7292 0.066 Uiso 1 1 calc R . .
C43 C -0.1508(5) 2.0684(5) -0.9363(2) 0.0282(14) Uani 1 1 d . . .
C44 C -0.4192(5) 2.3276(5) -0.8923(2) 0.0288(14) Uani 1 1 d . . .
C45 C -0.5189(6) 1.7843(6) -0.6350(3) 0.0395(18) Uani 1 1 d . . .
C46 C -0.3015(4) 1.7079(5) -0.0477(2) 0.0227(13) Uani 1 1 d . . .
C47 C -0.2482(5) 1.7535(5) -0.0208(2) 0.0245(13) Uani 1 1 d . . .
H47 H -0.2544 1.7296 0.0137 0.029 Uiso 1 1 calc R . .
C48 C -0.1856(5) 1.8349(5) -0.0452(2) 0.0257(14) Uani 1 1 d . . .
C49 C -0.1763(5) 1.8693(5) -0.0961(2) 0.0298(15) Uani 1 1 d . . .
H49 H -0.1366 1.9250 -0.1121 0.036 Uiso 1 1 calc R . .
C50 C -0.2244(5) 1.8235(5) -0.1245(2) 0.0297(15) Uani 1 1 d . . .
C51 C -0.2880(5) 1.7419(5) -0.1001(2) 0.0294(15) Uani 1 1 d . . .
H51 H -0.3212 1.7105 -0.1185 0.035 Uiso 1 1 calc R . .
C52 C -0.2097(5) 1.8590(5) -0.1801(2) 0.0321(15) Uani 1 1 d . . .
C53 C -0.2865(6) 1.8510(6) -0.2069(3) 0.045(2) Uani 1 1 d . . .
H53 H -0.3495 1.8230 -0.1898 0.054 Uiso 1 1 calc R . .
C54 C -0.2722(6) 1.8836(7) -0.2585(3) 0.045(2) Uani 1 1 d . . .
H54 H -0.3257 1.8788 -0.2755 0.054 Uiso 1 1 calc R . .
C55 C -0.1779(5) 1.9234(5) -0.2847(2) 0.0325(16) Uani 1 1 d . . .
C56 C -0.1007(6) 1.9308(6) -0.2588(2) 0.0407(18) Uani 1 1 d . . .
H56 H -0.0368 1.9565 -0.2762 0.049 Uiso 1 1 calc R . .
C57 C -0.1161(6) 1.9004(6) -0.2067(2) 0.0400(18) Uani 1 1 d . . .
H57 H -0.0634 1.9079 -0.1897 0.048 Uiso 1 1 calc R . .
C58 C -0.3696(5) 1.6233(5) -0.0210(2) 0.0264(14) Uani 1 1 d . . .
C59 C -0.1273(5) 1.8803(5) -0.0151(2) 0.0259(14) Uani 1 1 d . . .
C60 C -0.1606(5) 1.9616(6) -0.3409(2) 0.0344(16) Uani 1 1 d . . .
N1 N -0.6220(10) 1.3715(10) -0.6915(5) 0.125(4) Uiso 1 1 d . . .
N2 N 0.1083(7) 1.5664(8) -0.9729(4) 0.089(3) Uiso 1 1 d . . .
C61 C -0.5591(15) 1.4289(14) -0.6783(7) 0.147(6) Uiso 1 1 d . . .
H61 H -0.4964 1.4447 -0.7001 0.177 Uiso 1 1 calc R . .
C62 C -0.7084(18) 1.3036(18) -0.6599(9) 0.233(11) Uiso 1 1 d . . .
H62A H -0.7359 1.2700 -0.6807 0.350 Uiso 1 1 calc R . .
H62B H -0.7632 1.3427 -0.6449 0.350 Uiso 1 1 calc R . .
H62C H -0.6806 1.2551 -0.6342 0.350 Uiso 1 1 calc R . .
C63 C -0.5740(15) 1.3508(16) -0.7416(7) 0.184(8) Uiso 1 1 d . . .
H63A H -0.6191 1.3094 -0.7508 0.277 Uiso 1 1 calc R . .
H63B H -0.5072 1.3172 -0.7394 0.277 Uiso 1 1 calc R . .
H63C H -0.5651 1.4127 -0.7665 0.277 Uiso 1 1 calc R . .
C64 C 0.0757(8) 1.6623(9) -0.9742(4) 0.083(3) Uiso 1 1 d . . .
H64 H 0.0648 1.7031 -1.0047 0.100 Uiso 1 1 calc R . .
C65 C 0.1390(11) 1.5336(11) -1.0207(5) 0.113(4) Uiso 1 1 d . . .
H65A H 0.1602 1.4643 -1.0136 0.170 Uiso 1 1 calc R . .
H65B H 0.1961 1.5724 -1.0414 0.170 Uiso 1 1 calc R . .
H65C H 0.0806 1.5432 -1.0380 0.170 Uiso 1 1 calc R . .
C66 C 0.1133(13) 1.4996(13) -0.9230(6) 0.143(6) Uiso 1 1 d . . .
H66A H 0.1373 1.4341 -0.9268 0.214 Uiso 1 1 calc R . .
H66B H 0.0450 1.4959 -0.9027 0.214 Uiso 1 1 calc R . .
H66C H 0.1608 1.5256 -0.9073 0.214 Uiso 1 1 calc R . .
O35 O 0.6029(5) 0.1536(5) -0.0041(2) 0.0660(17) Uiso 1 1 d . . .
N3 N 0.5437(5) 0.0181(6) 0.0565(3) 0.0542(18) Uiso 1 1 d . . .
C67 C 0.5391(8) 0.1147(8) 0.0340(4) 0.073(3) Uiso 1 1 d . . .
H67 H 0.4863 0.1550 0.0470 0.088 Uiso 1 1 calc R . .
C68 C 0.4647(11) -0.0178(11) 0.0995(5) 0.117(5) Uiso 1 1 d . . .
H68A H 0.4775 -0.0877 0.1128 0.176 Uiso 1 1 calc R . .
H68B H 0.3971 -0.0078 0.0897 0.176 Uiso 1 1 calc R . .
H68C H 0.4669 0.0181 0.1245 0.176 Uiso 1 1 calc R . .
C69 C 0.6257(9) -0.0462(9) 0.0409(4) 0.093(4) Uiso 1 1 d . . .
H69A H 0.6163 -0.1122 0.0621 0.139 Uiso 1 1 calc R . .
H69B H 0.6914 -0.0221 0.0432 0.139 Uiso 1 1 calc R . .
H69C H 0.6253 -0.0480 0.0070 0.139 Uiso 1 1 calc R . .
O36 O 0.2184(5) 0.7485(6) 0.3450(3) 0.0754(19) Uiso 1 1 d . . .
N4 N 0.2867(6) 0.7742(6) 0.2629(3) 0.065(2) Uiso 1 1 d . . .
C70 C 0.2418(8) 0.8041(9) 0.3023(4) 0.080(3) Uiso 1 1 d . . .
H70 H 0.2258 0.8720 0.2985 0.096 Uiso 1 1 calc R . .
C71 C 0.3060(10) 0.8427(10) 0.2146(5) 0.101(4) Uiso 1 1 d . . .
H71A H 0.3403 0.8075 0.1901 0.151 Uiso 1 1 calc R . .
H71B H 0.3498 0.8945 0.2157 0.151 Uiso 1 1 calc R . .
H71C H 0.2408 0.8716 0.2057 0.151 Uiso 1 1 calc R . .
C72 C 0.3219(9) 0.6679(9) 0.2678(5) 0.093(4) Uiso 1 1 d . . .
H72A H 0.3539 0.6578 0.2356 0.140 Uiso 1 1 calc R . .
H72B H 0.2629 0.6259 0.2810 0.140 Uiso 1 1 calc R . .
H72C H 0.3718 0.6513 0.2901 0.140 Uiso 1 1 calc R . .
O37 O 0.8650(5) 0.3869(6) 0.5105(3) 0.0761(19) Uiso 1 1 d . . .
N5 N 0.9848(5) 0.4533(5) 0.4435(3) 0.0522(17) Uiso 1 1 d . . .
C73 C 0.8898(7) 0.4497(8) 0.4714(4) 0.066(3) Uiso 1 1 d . . .
H73 H 0.8396 0.4973 0.4605 0.079 Uiso 1 1 calc R . .
C74 C 1.0074(9) 0.5322(9) 0.3996(4) 0.093(4) Uiso 1 1 d . . .
H74A H 1.0787 0.5250 0.3838 0.140 Uiso 1 1 calc R . .
H74B H 0.9969 0.5953 0.4086 0.140 Uiso 1 1 calc R . .
H74C H 0.9617 0.5292 0.3768 0.140 Uiso 1 1 calc R . .
C75 C 1.0636(9) 0.3797(9) 0.4566(4) 0.089(3) Uiso 1 1 d . . .
H75A H 1.1265 0.3943 0.4325 0.134 Uiso 1 1 calc R . .
H75B H 1.0405 0.3152 0.4571 0.134 Uiso 1 1 calc R . .
H75C H 1.0769 0.3799 0.4892 0.134 Uiso 1 1 calc R . .
O38 O 0.7086(11) 0.4099(13) 0.2121(6) 0.197(6) Uiso 1 1 d . . .
N6 N 0.807(2) 0.251(2) 0.2260(11) 0.305(13) Uiso 1 1 d D . .
C76 C 0.724(3) 0.301(3) 0.2487(14) 0.298(16) Uiso 1 1 d D . .
H76 H 0.6828 0.2759 0.2798 0.358 Uiso 1 1 calc R . .
C77 C 0.859(2) 0.295(2) 0.1777(11) 0.298(16) Uiso 1 1 d D . .
H77A H 0.9135 0.2502 0.1672 0.446 Uiso 1 1 calc R . .
H77B H 0.8882 0.3563 0.1780 0.446 Uiso 1 1 calc R . .
H77C H 0.8098 0.3084 0.1550 0.446 Uiso 1 1 calc R . .
C78 C 0.804(3) 0.166(2) 0.2680(12) 0.333(19) Uiso 1 1 d D . .
H78A H 0.8574 0.1179 0.2604 0.499 Uiso 1 1 calc R . .
H78B H 0.7366 0.1362 0.2749 0.499 Uiso 1 1 calc R . .
H78C H 0.8145 0.1872 0.2968 0.499 Uiso 1 1 calc R . .
O39 O 0.6071(16) 0.2065(16) 0.3346(8) 0.265(8) Uiso 1 1 d D . .
N7 N 0.565(2) 0.117(3) 0.4272(12) 0.343(15) Uiso 1 1 d D . .
C79 C 0.536(3) 0.185(3) 0.3823(11) 0.44(3) Uiso 1 1 d D . .
H79 H 0.4699 0.2161 0.3844 0.526 Uiso 1 1 calc R . .
C80 C 0.532(2) 0.145(2) 0.4742(10) 0.274(14) Uiso 1 1 d D . .
H80A H 0.4741 0.1925 0.4715 0.411 Uiso 1 1 calc R . .
H80B H 0.5888 0.1755 0.4821 0.411 Uiso 1 1 calc R . .
H80C H 0.5114 0.0872 0.5001 0.411 Uiso 1 1 calc R . .
C81 C 0.654(2) 0.051(2) 0.4143(11) 0.278(14) Uiso 1 1 d D . .
H81A H 0.6589 0.0472 0.3803 0.418 Uiso 1 1 calc R . .
H81B H 0.6438 -0.0143 0.4360 0.418 Uiso 1 1 calc R . .
H81C H 0.7174 0.0770 0.4183 0.418 Uiso 1 1 calc R . .
O1W O 0.6455(7) 0.5788(8) 0.2510(4) 0.122(3) Uiso 1 1 d . . .
O2W O 0.5933(7) 0.7214(8) 0.1686(4) 0.123(3) Uiso 1 1 d . . .
O3W O 0.7812(12) 0.6887(12) 0.1123(6) 0.215(6) Uiso 1 1 d . . .
H25A H -0.363(3) 2.011(6) -0.445(8) 0.323 Uiso 1 1 d D . .
H25B H -0.352(4) 2.114(10) -0.431(7) 0.323 Uiso 1 1 d D . .
H26A H -0.184(16) 2.212(3) -0.402(4) 0.323 Uiso 1 1 d D . .
H26B H -0.117(16) 2.254(3) -0.455(4) 0.323 Uiso 1 1 d D . .
H28A H -0.664(12) 1.618(5) -0.498(4) 0.323 Uiso 1 1 d D . .
H28B H -0.620(14) 1.716(2) -0.539(2) 0.323 Uiso 1 1 d D . .
H29A H -0.739(2) 1.625(13) -0.624(3) 0.323 Uiso 1 1 d D . .
H29B H -0.7777(18) 1.547(11) -0.573(5) 0.323 Uiso 1 1 d D . .
H31A H 0.278(2) 1.869(9) -0.945(6) 0.323 Uiso 1 1 d D . .
H31B H 0.240(4) 1.768(7) -0.906(7) 0.323 Uiso 1 1 d D . .
H32A H -0.645(11) 1.536(5) -0.157(6) 0.323 Uiso 1 1 d D . .
H32B H -0.691(7) 1.442(13) -0.116(2) 0.323 Uiso 1 1 d D . .
H33A H -0.397(6) 1.279(8) -0.109(7) 0.323 Uiso 1 1 d D . .
H33B H -0.492(13) 1.311(5) -0.139(5) 0.323 Uiso 1 1 d D . .
H34A H -0.361(14) 1.372(6) 0.002(4) 0.323 Uiso 1 1 d D . .
H34B H -0.381(13) 1.2858(15) -0.023(6) 0.323 Uiso 1 1 d D . .


_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
Tb1 O1 2.339(4) 2_594 ?
Tb1 O10 2.365(4) 2_584 ?
Tb1 O9 2.375(4) 1_565 ?
Tb1 O2 2.409(5) . ?
Tb1 O26 2.427(5) . ?
Tb1 O24 2.459(5) . ?
Tb1 O25 2.474(5) . ?
Tb1 O23 2.474(5) . ?
Tb1 C60 2.813(6) . ?
Tb1 O1 2.836(5) . ?
Tb1 C13 2.993(6) . ?
Tb1 Eu1 4.0414(15) 2_594 ?
Tb2 O17 2.292(5) . ?
Tb2 O4 2.324(5) 2_484 ?
Tb2 O3 2.327(5) . ?
Tb2 O27 2.346(6) . ?
Tb2 O28 2.468(5) . ?
Tb2 O8 2.473(4) . ?
Tb2 O29 2.482(5) . ?
Tb2 O7 2.500(4) . ?
Tb2 C28 2.852(6) . ?
Tb3 O21 2.296(5) 2_594 ?
Tb3 O13 2.338(4) . ?
Tb3 O14 2.399(4) 2_593 ?
Tb3 O22 2.402(4) 1_554 ?
Tb3 O30 2.410(5) . ?
Tb3 O5 2.452(5) . ?
Tb3 O6 2.456(5) . ?
Tb3 O31 2.471(5) . ?
Tb3 C15 2.815(6) . ?
Tb4 O19 2.309(5) . ?
Tb4 O20 2.313(4) 2_485 ?
Tb4 O12 2.323(4) 2_584 ?
Tb4 O33 2.439(5) . ?
Tb4 O32 2.450(6) . ?
Tb4 O15 2.451(5) 2_494 ?
Tb4 O34 2.465(5) . ?
Tb4 O16 2.478(4) 2_494 ?
Tb4 C44 2.826(7) 2_494 ?
O1 C13 1.266(7) . ?
O1 Eu1 2.339(4) 2_594 ?
O1 Tb1 2.339(4) 2_594 ?
O2 C13 1.263(7) . ?
O3 C14 1.240(8) . ?
O4 C14 1.259(7) . ?
O4 Eu2 2.324(5) 2_484 ?
O4 Tb2 2.324(5) 2_484 ?
O5 C15 1.256(8) . ?
O6 C15 1.241(8) . ?
O7 C28 1.273(8) . ?
O8 C28 1.257(7) . ?
O9 C29 1.265(7) . ?
O9 Eu1 2.375(4) 1_545 ?
O9 Tb1 2.375(4) 1_545 ?
O10 C29 1.257(7) . ?
O10 Eu1 2.365(4) 2_584 ?
O10 Tb1 2.365(4) 2_584 ?
O11 C30 1.262(9) . ?
O12 C30 1.255(8) . ?
O12 Eu4 2.323(4) 2_584 ?
O12 Tb4 2.323(4) 2_584 ?
O13 C43 1.252(8) . ?
O14 C43 1.263(8) . ?
O14 Eu3 2.399(4) 2_593 ?
O14 Tb3 2.399(4) 2_593 ?
O15 C44 1.276(7) . ?
O15 Eu4 2.451(5) 2_494 ?
O15 Tb4 2.451(5) 2_494 ?
O16 C44 1.247(7) . ?
O16 Eu4 2.478(4) 2_494 ?
O16 Tb4 2.478(4) 2_494 ?
O17 C45 1.256(9) . ?
O18 C45 1.246(9) . ?
O19 C58 1.244(7) . ?
O20 C58 1.247(7) . ?
O20 Eu4 2.313(4) 2_485 ?
O20 Tb4 2.313(4) 2_485 ?
O21 C59 1.253(7) . ?
O21 Eu3 2.296(5) 2_594 ?
O21 Tb3 2.296(5) 2_594 ?
O22 C59 1.254(7) . ?
O22 Eu3 2.402(4) 1_556 ?
O22 Tb3 2.402(4) 1_556 ?
O23 C60 1.246(8) . ?
O24 C60 1.250(8) . ?
O25 H25A 1.026(19) . ?
O25 H25B 1.007(19) . ?
O26 H26A 1.022(17) . ?
O26 H26B 1.022(17) . ?
O27 C61 1.132(18) . ?
O28 H28A 0.99(2) . ?
O28 H28B 0.99(2) . ?
O29 H29A 1.018(19) . ?
O29 H29B 0.999(19) . ?
O30 C64 1.260(12) . ?
O31 H31A 1.011(18) . ?
O31 H31B 1.011(18) . ?
O32 H32A 1.00(2) . ?
O32 H32B 1.01(2) . ?
O33 H33A 1.01(2) . ?
O33 H33B 1.00(2) . ?
O34 H34A 1.022(19) . ?
O34 H34B 1.024(19) . ?
C1 C2 1.393(8) . ?
C1 C6 1.396(8) . ?
C1 C13 1.504(9) . ?
C2 C3 1.378(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.384(8) . ?
C3 C14 1.505(8) . ?
C4 C5 1.415(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(9) . ?
C5 C7 1.506(8) . ?
C6 H6 0.9300 . ?
C7 C12 1.370(10) . ?
C7 C8 1.382(10) . ?
C8 C9 1.401(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.370(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.370(10) . ?
C10 C15 1.516(8) . ?
C11 C12 1.391(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C16 C17 1.379(9) . ?
C16 C21 1.391(9) . ?
C16 C28 1.504(9) . ?
C17 C18 1.404(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(9) . ?
C18 C29 1.510(9) . ?
C19 C20 1.399(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.390(9) . ?
C20 C22 1.490(9) . ?
C21 H21 0.9300 . ?
C22 C27 1.376(9) . ?
C22 C23 1.381(11) . ?
C23 C24 1.384(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.399(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.381(10) . ?
C25 C30 1.486(9) . ?
C26 C27 1.405(10) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C31 C32 1.383(9) . ?
C31 C36 1.391(9) . ?
C31 C43 1.506(8) . ?
C32 C33 1.389(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.384(9) . ?
C33 C44 1.495(9) . ?
C34 C35 1.389(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.399(9) . ?
C35 C37 1.497(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.375(10) . ?
C37 C42 1.404(10) . ?
C38 C39 1.399(10) . ?
C38 H38 0.9300 . ?
C39 C40 1.383(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.372(11) . ?
C40 C45 1.516(9) . ?
C41 C42 1.392(10) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C44 Eu4 2.826(7) 2_494 ?
C44 Tb4 2.826(7) 2_494 ?
C46 C47 1.395(8) . ?
C46 C51 1.409(8) . ?
C46 C58 1.481(8) . ?
C47 C48 1.398(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.374(8) . ?
C48 C59 1.501(8) . ?
C49 C50 1.387(9) . ?
C49 H49 0.9300 . ?
C50 C51 1.406(9) . ?
C50 C52 1.494(8) . ?
C51 H51 0.9300 . ?
C52 C53 1.383(9) . ?
C52 C57 1.388(9) . ?
C53 C54 1.385(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.385(10) . ?
C54 H54 0.9300 . ?
C55 C56 1.369(10) . ?
C55 C60 1.513(9) . ?
C56 C57 1.396(9) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C59 Eu3 3.204(6) 1_556 ?
N1 C61 1.341(18) . ?
N1 C62 1.52(2) . ?
N1 C63 1.51(2) . ?
N2 C64 1.355(14) . ?
N2 C66 1.483(17) . ?
N2 C65 1.494(15) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O35 C67 1.255(11) . ?
N3 C67 1.330(12) . ?
N3 C69 1.412(13) . ?
N3 C68 1.441(14) . ?
C67 H67 0.9300 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O36 C70 1.249(12) . ?
N4 C70 1.295(12) . ?
N4 C71 1.439(14) . ?
N4 C72 1.487(13) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O37 C73 1.227(11) . ?
N5 C73 1.331(11) . ?
N5 C75 1.421(12) . ?
N5 C74 1.430(13) . ?
C73 H73 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
O38 C76 1.62(3) . ?
N6 C76 1.380(18) . ?
N6 C77 1.405(18) . ?
N6 C78 1.439(18) . ?
C76 H76 0.9300 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
O39 C79 1.454(19) . ?
N7 C80 1.443(18) . ?
N7 C81 1.465(18) . ?
N7 C79 1.468(19) . ?
C79 H79 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Tb1 O10 74.71(17) 2_594 2_584 ?
O1 Tb1 O9 79.53(16) 2_594 1_565 ?
O10 Tb1 O9 133.38(15) 2_584 1_565 ?
O1 Tb1 O2 125.52(15) 2_594 . ?
O10 Tb1 O2 76.60(17) 2_584 . ?
O9 Tb1 O2 88.19(17) 1_565 . ?
O1 Tb1 O26 82.5(2) 2_594 . ?
O10 Tb1 O26 139.5(2) 2_584 . ?
O9 Tb1 O26 72.13(18) 1_565 . ?
O2 Tb1 O26 142.7(2) . . ?
O1 Tb1 O24 84.28(16) 2_594 . ?
O10 Tb1 O24 74.07(18) 2_584 . ?
O9 Tb1 O24 140.87(17) 1_565 . ?
O2 Tb1 O24 129.57(16) . . ?
O26 Tb1 O24 70.58(19) . . ?
O1 Tb1 O25 150.3(2) 2_594 . ?
O10 Tb1 O25 134.5(2) 2_584 . ?
O9 Tb1 O25 74.7(2) 1_565 . ?
O2 Tb1 O25 68.53(19) . . ?
O26 Tb1 O25 75.8(2) . . ?
O24 Tb1 O25 106.8(2) . . ?
O1 Tb1 O23 133.47(16) 2_594 . ?
O10 Tb1 O23 76.97(19) 2_584 . ?
O9 Tb1 O23 144.45(17) 1_565 . ?
O2 Tb1 O23 81.42(18) . . ?
O26 Tb1 O23 96.3(2) . . ?
O24 Tb1 O23 52.58(16) . . ?
O25 Tb1 O23 69.9(2) . . ?
O1 Tb1 C60 108.80(18) 2_594 . ?
O10 Tb1 C60 72.64(18) 2_584 . ?
O9 Tb1 C60 153.59(18) 1_565 . ?
O2 Tb1 C60 105.29(19) . . ?
O26 Tb1 C60 83.9(2) . . ?
O24 Tb1 C60 26.36(18) . . ?
O25 Tb1 C60 89.0(2) . . ?
O23 Tb1 C60 26.27(18) . . ?
O1 Tb1 O1 77.74(16) 2_594 . ?
O10 Tb1 O1 69.37(15) 2_584 . ?
O9 Tb1 O1 67.56(15) 1_565 . ?
O2 Tb1 O1 48.91(14) . . ?
O26 Tb1 O1 137.56(16) . . ?
O24 Tb1 O1 142.32(17) . . ?
O25 Tb1 O1 105.11(18) . . ?
O23 Tb1 O1 124.36(18) . . ?
C60 Tb1 O1 138.03(18) . . ?
O1 Tb1 C13 102.30(16) 2_594 . ?
O10 Tb1 C13 72.34(17) 2_584 . ?
O9 Tb1 C13 76.16(17) 1_565 . ?
O2 Tb1 C13 24.06(15) . . ?
O26 Tb1 C13 146.47(18) . . ?
O24 Tb1 C13 142.51(17) . . ?
O25 Tb1 C13 85.71(19) . . ?
O23 Tb1 C13 103.28(18) . . ?
C60 Tb1 C13 124.01(19) . . ?
O1 Tb1 C13 24.90(14) . . ?
O1 Tb1 Eu1 43.30(11) 2_594 2_594 ?
O10 Tb1 Eu1 66.43(11) 2_584 2_594 ?
O9 Tb1 Eu1 68.10(11) 1_565 2_594 ?
O2 Tb1 Eu1 82.82(11) . 2_594 ?
O26 Tb1 Eu1 116.29(15) . 2_594 ?
O24 Tb1 Eu1 119.85(13) . 2_594 ?
O25 Tb1 Eu1 133.28(16) . 2_594 ?
O23 Tb1 Eu1 142.59(16) . 2_594 ?
C60 Tb1 Eu1 135.09(15) . 2_594 ?
O1 Tb1 Eu1 34.44(9) . 2_594 ?
C13 Tb1 Eu1 59.11(12) . 2_594 ?
O17 Tb2 O4 154.03(18) . 2_484 ?
O17 Tb2 O3 90.04(19) . . ?
O4 Tb2 O3 104.90(18) 2_484 . ?
O17 Tb2 O27 96.3(2) . . ?
O4 Tb2 O27 82.6(2) 2_484 . ?
O3 Tb2 O27 147.3(2) . . ?
O17 Tb2 O28 78.80(17) . . ?
O4 Tb2 O28 85.31(17) 2_484 . ?
O3 Tb2 O28 73.03(19) . . ?
O27 Tb2 O28 139.6(2) . . ?
O17 Tb2 O8 130.03(16) . . ?
O4 Tb2 O8 75.50(16) 2_484 . ?
O3 Tb2 O8 71.84(18) . . ?
O27 Tb2 O8 79.77(19) . . ?
O28 Tb2 O8 133.57(16) . . ?
O17 Tb2 O29 80.21(19) . . ?
O4 Tb2 O29 74.86(18) 2_484 . ?
O3 Tb2 O29 141.37(19) . . ?
O27 Tb2 O29 71.2(2) . . ?
O28 Tb2 O29 68.43(18) . . ?
O8 Tb2 O29 140.61(17) . . ?
O17 Tb2 O7 78.28(16) . . ?
O4 Tb2 O7 125.60(17) 2_484 . ?
O3 Tb2 O7 75.56(17) . . ?
O27 Tb2 O7 74.46(19) . . ?
O28 Tb2 O7 140.75(18) . . ?
O8 Tb2 O7 52.46(14) . . ?
O29 Tb2 O7 136.82(16) . . ?
O17 Tb2 C28 104.14(18) . . ?
O4 Tb2 C28 100.93(18) 2_484 . ?
O3 Tb2 C28 70.13(19) . . ?
O27 Tb2 C28 77.3(2) . . ?
O28 Tb2 C28 143.01(19) . . ?
O8 Tb2 C28 26.07(16) . . ?
O29 Tb2 C28 148.50(19) . . ?
O7 Tb2 C28 26.48(16) . . ?
O21 Tb3 O13 75.53(18) 2_594 . ?
O21 Tb3 O14 77.69(16) 2_594 2_593 ?
O13 Tb3 O14 125.00(15) . 2_593 ?
O21 Tb3 O22 121.92(17) 2_594 1_554 ?
O13 Tb3 O22 75.05(17) . 1_554 ?
O14 Tb3 O22 80.03(16) 2_593 1_554 ?
O21 Tb3 O30 146.64(18) 2_594 . ?
O13 Tb3 O30 137.27(18) . . ?
O14 Tb3 O30 76.30(17) 2_593 . ?
O22 Tb3 O30 73.29(18) 1_554 . ?
O21 Tb3 O5 85.83(18) 2_594 . ?
O13 Tb3 O5 78.22(18) . . ?
O14 Tb3 O5 145.58(16) 2_593 . ?
O22 Tb3 O5 133.81(16) 1_554 . ?
O30 Tb3 O5 104.5(2) . . ?
O21 Tb3 O6 133.01(16) 2_594 . ?
O13 Tb3 O6 75.45(17) . . ?
O14 Tb3 O6 149.01(16) 2_593 . ?
O22 Tb3 O6 84.42(16) 1_554 . ?
O30 Tb3 O6 73.60(18) . . ?
O5 Tb3 O6 52.49(17) . . ?
O21 Tb3 O31 80.78(19) 2_594 . ?
O13 Tb3 O31 142.11(19) . . ?
O14 Tb3 O31 76.73(16) 2_593 . ?
O22 Tb3 O31 142.79(19) 1_554 . ?
O30 Tb3 O31 73.2(2) . . ?
O5 Tb3 O31 70.88(18) . . ?
O6 Tb3 O31 101.18(18) . . ?
O21 Tb3 C15 109.44(19) 2_594 . ?
O13 Tb3 C15 73.94(17) . . ?
O14 Tb3 C15 161.04(17) 2_593 . ?
O22 Tb3 C15 108.77(18) 1_554 . ?
O30 Tb3 C15 89.9(2) . . ?
O5 Tb3 C15 26.45(18) . . ?
O6 Tb3 C15 26.11(18) . . ?
O31 Tb3 C15 86.92(18) . . ?
O19 Tb4 O20 105.79(17) . 2_485 ?
O19 Tb4 O12 84.77(18) . 2_584 ?
O20 Tb4 O12 152.99(18) 2_485 2_584 ?
O19 Tb4 O33 140.52(19) . . ?
O20 Tb4 O33 80.35(18) 2_485 . ?
O12 Tb4 O33 76.15(18) 2_584 . ?
O19 Tb4 O32 146.8(2) . . ?
O20 Tb4 O32 76.9(2) 2_485 . ?
O12 Tb4 O32 108.0(2) 2_584 . ?
O33 Tb4 O32 72.6(2) . . ?
O19 Tb4 O15 80.06(18) . 2_494 ?
O20 Tb4 O15 126.17(17) 2_485 2_494 ?
O12 Tb4 O15 79.64(16) 2_584 2_494 ?
O33 Tb4 O15 128.35(18) . 2_494 ?
O32 Tb4 O15 72.6(2) . 2_494 ?
O19 Tb4 O34 72.70(17) . . ?
O20 Tb4 O34 76.53(17) 2_485 . ?
O12 Tb4 O34 83.35(17) 2_584 . ?
O33 Tb4 O34 71.02(18) . . ?
O32 Tb4 O34 137.8(2) . . ?
O15 Tb4 O34 148.99(18) 2_494 . ?
O19 Tb4 O16 74.14(17) . 2_494 ?
O20 Tb4 O16 76.75(16) 2_485 2_494 ?
O12 Tb4 O16 130.26(16) 2_584 2_494 ?
O33 Tb4 O16 143.24(17) . 2_494 ?
O32 Tb4 O16 74.4(2) . 2_494 ?
O15 Tb4 O16 52.94(14) 2_494 2_494 ?
O34 Tb4 O16 129.14(15) . 2_494 ?
O19 Tb4 C44 75.95(18) . 2_494 ?
O20 Tb4 C44 101.19(18) 2_485 2_494 ?
O12 Tb4 C44 105.51(18) 2_584 2_494 ?
O33 Tb4 C44 142.28(19) . 2_494 ?
O32 Tb4 C44 71.1(2) . 2_494 ?
O15 Tb4 C44 26.79(16) 2_494 2_494 ?
O34 Tb4 C44 146.45(17) . 2_494 ?
O16 Tb4 C44 26.16(15) 2_494 2_494 ?
C13 O1 Eu1 168.4(4) . 2_594 ?
C13 O1 Tb1 168.4(4) . 2_594 ?
Eu1 O1 Tb1 0.00(2) 2_594 2_594 ?
C13 O1 Tb1 84.5(4) . . ?
Eu1 O1 Tb1 102.26(15) 2_594 . ?
Tb1 O1 Tb1 102.26(15) 2_594 . ?
C13 O2 Tb1 104.9(4) . . ?
C14 O3 Tb2 155.2(5) . . ?
C14 O4 Eu2 129.6(4) . 2_484 ?
C14 O4 Tb2 129.6(4) . 2_484 ?
Eu2 O4 Tb2 0.00(2) 2_484 2_484 ?
C15 O5 Tb3 93.1(4) . . ?
C15 O6 Tb3 93.3(4) . . ?
C28 O7 Tb2 92.4(4) . . ?
C28 O8 Tb2 94.0(4) . . ?
C29 O9 Eu1 136.4(4) . 1_545 ?
C29 O9 Tb1 136.4(4) . 1_545 ?
Eu1 O9 Tb1 0.000(15) 1_545 1_545 ?
C29 O10 Eu1 139.4(4) . 2_584 ?
C29 O10 Tb1 139.4(4) . 2_584 ?
Eu1 O10 Tb1 0.000(17) 2_584 2_584 ?
C30 O12 Eu4 139.0(5) . 2_584 ?
C30 O12 Tb4 139.0(5) . 2_584 ?
Eu4 O12 Tb4 0.000(16) 2_584 2_584 ?
C43 O13 Tb3 144.6(4) . . ?
C43 O14 Eu3 139.5(4) . 2_593 ?
C43 O14 Tb3 139.5(4) . 2_593 ?
Eu3 O14 Tb3 0.000(15) 2_593 2_593 ?
C44 O15 Eu4 93.2(4) . 2_494 ?
C44 O15 Tb4 93.2(4) . 2_494 ?
Eu4 O15 Tb4 0.00(2) 2_494 2_494 ?
C44 O16 Eu4 92.7(4) . 2_494 ?
C44 O16 Tb4 92.7(4) . 2_494 ?
Eu4 O16 Tb4 0.000(15) 2_494 2_494 ?
C45 O17 Tb2 140.3(4) . . ?
C58 O19 Tb4 173.7(4) . . ?
C58 O20 Eu4 133.5(4) . 2_485 ?
C58 O20 Tb4 133.5(4) . 2_485 ?
Eu4 O20 Tb4 0.000(11) 2_485 2_485 ?
C59 O21 Eu3 173.2(5) . 2_594 ?
C59 O21 Tb3 173.2(5) . 2_594 ?
Eu3 O21 Tb3 0.000(17) 2_594 2_594 ?
C59 O22 Eu3 119.0(4) . 1_556 ?
C59 O22 Tb3 119.0(4) . 1_556 ?
Eu3 O22 Tb3 0.000(15) 1_556 1_556 ?
C60 O23 Tb1 92.2(4) . . ?
C60 O24 Tb1 92.8(4) . . ?
Tb1 O25 H25A 126(2) . . ?
Tb1 O25 H25B 128(2) . . ?
H25A O25 H25B 103(2) . . ?
Tb1 O26 H26A 129.1(19) . . ?
Tb1 O26 H26B 129.2(19) . . ?
H26A O26 H26B 101.7(16) . . ?
C61 O27 Tb2 156.8(11) . . ?
Tb2 O28 H28A 123(2) . . ?
Tb2 O28 H28B 122(2) . . ?
H28A O28 H28B 109(3) . . ?
Tb2 O29 H29A 126(2) . . ?
Tb2 O29 H29B 128(2) . . ?
H29A O29 H29B 104(2) . . ?
C64 O30 Tb3 125.0(7) . . ?
Tb3 O31 H31A 128(2) . . ?
Tb3 O31 H31B 128(2) . . ?
H31A O31 H31B 104(2) . . ?
Tb4 O32 H32A 122(2) . . ?
Tb4 O32 H32B 122(2) . . ?
H32A O32 H32B 103(3) . . ?
Tb4 O33 H33A 122(2) . . ?
Tb4 O33 H33B 123(2) . . ?
H33A O33 H33B 105(3) . . ?
Tb4 O34 H34A 127(2) . . ?
Tb4 O34 H34B 127(2) . . ?
H34A O34 H34B 101(2) . . ?
C2 C1 C6 119.5(6) . . ?
C2 C1 C13 119.0(5) . . ?
C6 C1 C13 121.5(5) . . ?
C3 C2 C1 120.5(6) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.3(6) . . ?
C2 C3 C14 120.2(5) . . ?
C4 C3 C14 119.4(6) . . ?
C3 C4 C5 120.2(6) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 118.7(6) . . ?
C6 C5 C7 122.2(6) . . ?
C4 C5 C7 119.1(6) . . ?
C5 C6 C1 120.7(6) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
C12 C7 C8 118.3(6) . . ?
C12 C7 C5 121.5(6) . . ?
C8 C7 C5 120.1(6) . . ?
C7 C8 C9 119.5(7) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 121.4(7) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C11 C10 C9 118.8(6) . . ?
C11 C10 C15 120.5(6) . . ?
C9 C10 C15 120.7(6) . . ?
C10 C11 C12 119.9(7) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 121.7(7) . . ?
C7 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
O2 C13 O1 121.5(6) . . ?
O2 C13 C1 118.0(5) . . ?
O1 C13 C1 120.5(5) . . ?
O2 C13 Tb1 51.0(3) . . ?
O1 C13 Tb1 70.6(3) . . ?
C1 C13 Tb1 168.1(4) . . ?
O3 C14 O4 124.0(6) . . ?
O3 C14 C3 118.5(6) . . ?
O4 C14 C3 117.5(6) . . ?
O6 C15 O5 120.8(6) . . ?
O6 C15 C10 120.4(6) . . ?
O5 C15 C10 118.8(6) . . ?
O6 C15 Tb3 60.6(3) . . ?
O5 C15 Tb3 60.4(3) . . ?
C10 C15 Tb3 175.3(5) . . ?
C17 C16 C21 119.8(6) . . ?
C17 C16 C28 120.3(6) . . ?
C21 C16 C28 119.9(6) . . ?
C16 C17 C18 119.8(6) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 119.5(6) . . ?
C19 C18 C29 120.2(6) . . ?
C17 C18 C29 120.3(6) . . ?
C18 C19 C20 121.5(6) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C21 C20 C19 117.5(6) . . ?
C21 C20 C22 122.0(6) . . ?
C19 C20 C22 120.2(6) . . ?
C16 C21 C20 121.9(6) . . ?
C16 C21 H21 119.0 . . ?
C20 C21 H21 119.0 . . ?
C27 C22 C23 118.0(6) . . ?
C27 C22 C20 121.2(7) . . ?
C23 C22 C20 120.7(6) . . ?
C22 C23 C24 122.3(7) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
C23 C24 C25 120.1(8) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 117.7(7) . . ?
C26 C25 C30 120.9(6) . . ?
C24 C25 C30 121.3(7) . . ?
C25 C26 C27 121.5(7) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C22 C27 C26 120.4(7) . . ?
C22 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
O8 C28 O7 120.7(6) . . ?
O8 C28 C16 119.8(6) . . ?
O7 C28 C16 119.5(5) . . ?
O8 C28 Tb2 59.9(3) . . ?
O7 C28 Tb2 61.2(3) . . ?
C16 C28 Tb2 172.9(5) . . ?
O10 C29 O9 125.9(6) . . ?
O10 C29 C18 116.3(5) . . ?
O9 C29 C18 117.8(5) . . ?
O12 C30 O11 123.6(6) . . ?
O12 C30 C25 117.6(7) . . ?
O11 C30 C25 118.7(6) . . ?
C32 C31 C36 119.1(6) . . ?
C32 C31 C43 121.0(6) . . ?
C36 C31 C43 119.9(6) . . ?
C31 C32 C33 121.1(6) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
C34 C33 C32 119.0(6) . . ?
C34 C33 C44 120.0(5) . . ?
C32 C33 C44 120.9(6) . . ?
C33 C34 C35 121.4(6) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 H34 119.3 . . ?
C34 C35 C36 118.4(6) . . ?
C34 C35 C37 120.8(6) . . ?
C36 C35 C37 120.7(6) . . ?
C31 C36 C35 121.0(6) . . ?
C31 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C38 C37 C42 118.0(6) . . ?
C38 C37 C35 120.1(6) . . ?
C42 C37 C35 121.9(6) . . ?
C37 C38 C39 120.8(7) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C40 C39 C38 120.7(7) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C41 C40 C39 119.0(7) . . ?
C41 C40 C45 121.9(7) . . ?
C39 C40 C45 119.1(7) . . ?
C40 C41 C42 120.5(7) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C41 C42 C37 120.9(7) . . ?
C41 C42 H42 119.6 . . ?
C37 C42 H42 119.6 . . ?
O13 C43 O14 125.3(6) . . ?
O13 C43 C31 117.0(6) . . ?
O14 C43 C31 117.7(6) . . ?
O16 C44 O15 121.1(6) . . ?
O16 C44 C33 120.2(5) . . ?
O15 C44 C33 118.7(6) . . ?
O16 C44 Eu4 61.2(3) . 2_494 ?
O15 C44 Eu4 60.0(3) . 2_494 ?
C33 C44 Eu4 177.8(5) . 2_494 ?
O16 C44 Tb4 61.2(3) . 2_494 ?
O15 C44 Tb4 60.0(3) . 2_494 ?
C33 C44 Tb4 177.8(5) . 2_494 ?
Eu4 C44 Tb4 0.000(18) 2_494 2_494 ?
O18 C45 O17 124.6(7) . . ?
O18 C45 C40 118.7(7) . . ?
O17 C45 C40 116.7(6) . . ?
C47 C46 C51 119.3(6) . . ?
C47 C46 C58 119.8(5) . . ?
C51 C46 C58 120.9(6) . . ?
C46 C47 C48 120.5(5) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C49 C48 C47 119.3(6) . . ?
C49 C48 C59 121.8(5) . . ?
C47 C48 C59 118.9(5) . . ?
C48 C49 C50 122.0(6) . . ?
C48 C49 H49 119.0 . . ?
C50 C49 H49 119.0 . . ?
C49 C50 C51 118.9(6) . . ?
C49 C50 C52 121.3(6) . . ?
C51 C50 C52 119.8(6) . . ?
C50 C51 C46 119.9(6) . . ?
C50 C51 H51 120.0 . . ?
C46 C51 H51 120.0 . . ?
C53 C52 C57 117.9(6) . . ?
C53 C52 C50 122.2(6) . . ?
C57 C52 C50 120.0(6) . . ?
C52 C53 C54 121.9(6) . . ?
C52 C53 H53 119.1 . . ?
C54 C53 H53 119.1 . . ?
C53 C54 C55 119.8(6) . . ?
C53 C54 H54 120.1 . . ?
C55 C54 H54 120.1 . . ?
C56 C55 C54 119.0(6) . . ?
C56 C55 C60 119.9(6) . . ?
C54 C55 C60 121.1(6) . . ?
C55 C56 C57 121.2(7) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 H56 119.4 . . ?
C52 C57 C56 120.2(7) . . ?
C52 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
O19 C58 O20 123.8(6) . . ?
O19 C58 C46 119.5(6) . . ?
O20 C58 C46 116.8(6) . . ?
O21 C59 O22 123.8(6) . . ?
O21 C59 C48 117.7(6) . . ?
O22 C59 C48 118.5(6) . . ?
O21 C59 Eu3 84.2(4) . 1_556 ?
O22 C59 Eu3 41.0(3) . 1_556 ?
C48 C59 Eu3 154.4(4) . 1_556 ?
O23 C60 O24 122.2(6) . . ?
O23 C60 C55 118.6(6) . . ?
O24 C60 C55 119.3(6) . . ?
O23 C60 Tb1 61.5(4) . . ?
O24 C60 Tb1 60.8(3) . . ?
C55 C60 Tb1 176.2(5) . . ?
C61 N1 C62 130.5(17) . . ?
C61 N1 C63 109.8(15) . . ?
C62 N1 C63 116.8(16) . . ?
C64 N2 C66 117.0(11) . . ?
C64 N2 C65 119.6(11) . . ?
C66 N2 C65 123.5(12) . . ?
O27 C61 N1 128.4(19) . . ?
O27 C61 H61 115.8 . . ?
N1 C61 H61 115.8 . . ?
N1 C62 H62A 109.5 . . ?
N1 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
N1 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1 C63 H63A 109.5 . . ?
N1 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N1 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O30 C64 N2 124.2(11) . . ?
O30 C64 H64 117.9 . . ?
N2 C64 H64 117.9 . . ?
N2 C65 H65A 109.5 . . ?
N2 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N2 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N2 C66 H66A 109.5 . . ?
N2 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N2 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C67 N3 C69 121.8(9) . . ?
C67 N3 C68 117.4(9) . . ?
C69 N3 C68 120.7(10) . . ?
O35 C67 N3 122.7(10) . . ?
O35 C67 H67 118.6 . . ?
N3 C67 H67 118.6 . . ?
N3 C68 H68A 109.5 . . ?
N3 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N3 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N3 C69 H69A 109.5 . . ?
N3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 N4 C71 121.2(10) . . ?
C70 N4 C72 119.6(10) . . ?
C71 N4 C72 119.2(9) . . ?
O36 C70 N4 124.8(11) . . ?
O36 C70 H70 117.6 . . ?
N4 C70 H70 117.6 . . ?
N4 C71 H71A 109.5 . . ?
N4 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N4 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N4 C72 H72A 109.5 . . ?
N4 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N4 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 N5 C75 121.1(9) . . ?
C73 N5 C74 119.3(8) . . ?
C75 N5 C74 119.7(8) . . ?
O37 C73 N5 123.5(9) . . ?
O37 C73 H73 118.2 . . ?
N5 C73 H73 118.2 . . ?
N5 C74 H74A 109.5 . . ?
N5 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N5 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N5 C75 H75A 109.5 . . ?
N5 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
N5 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 N6 C77 120(4) . . ?
C76 N6 C78 94(3) . . ?
C77 N6 C78 146(4) . . ?
N6 C76 O38 109(3) . . ?
N6 C76 H76 125.7 . . ?
O38 C76 H76 125.7 . . ?
N6 C77 H77A 109.5 . . ?
N6 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
N6 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N6 C78 H78A 109.5 . . ?
N6 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
N6 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 N7 C81 127(3) . . ?
C80 N7 C79 117(3) . . ?
C81 N7 C79 111(3) . . ?
O39 C79 N7 122(3) . . ?
O39 C79 H79 118.9 . . ?
N7 C79 H79 118.9 . . ?
N7 C80 H80A 109.5 . . ?
N7 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
N7 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N7 C81 H81A 109.5 . . ?
N7 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N7 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O25 H25B O18 1.007(19) 1.69(4) 2.687(8) 168(13) 2_494
O26 H26A O36 1.022(17) 1.77(7) 2.770(9) 164(21) 2_585
O26 H26B O37 1.022(17) 1.87(9) 2.815(9) 153(16) 1_474
O28 H28A O8 0.99(2) 2.40(18) 2.892(7) 110(13) 2_484
O28 H28B O18 0.99(2) 1.93(5) 2.716(8) 134(5) .
O29 H29A O36 1.018(19) 1.81(12) 2.720(9) 147(18) 1_464
O29 H29B O37 0.999(19) 2.24(19) 2.848(9) 118(15) 2_575
O31 H31A O35 1.011(18) 1.97(15) 2.790(8) 136(17) 2_674
O31 H31B O11 1.011(18) 1.88(6) 2.858(7) 162(17) .
O32 H32A O38 1.00(2) 1.85(4) 2.764(17) 150(8) 2_575
O32 H32B O3W 1.01(2) 2.20(12) 3.062(18) 143(16) 2_575
O33 H33A O11 1.01(2) 2.03(15) 2.664(7) 119(12) 2_584
O33 H33B O2W 1.00(2) 1.82(9) 2.754(11) 154(17) 2_575
O34 H34A O16 1.022(19) 1.84(9) 2.797(6) 154(16) 1_546
O34 H34B O35 1.024(19) 1.79(4) 2.806(8) 171(18) 1_465

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         2.015
_refine_diff_density_min         -1.135
_refine_diff_density_rms         0.142
####################################################################### 
# 
# 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_trf
_database_code_depnum_ccdc_archive 'CCDC 1028539'
_audit_update_record             
;
2015-03-25 deposited with the CCDC.
2015-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C81 H99 Eu0.31 N7 O42 Tb3.69'
_chemical_formula_sum            'C81 H99 Eu0.31 N7 O42 Tb3.69'
_chemical_formula_weight         2476.19

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.955(3)
_cell_length_b                   13.814(3)
_cell_length_c                   27.962(6)
_cell_angle_alpha                75.69(3)
_cell_angle_beta                 79.38(3)
_cell_angle_gamma                85.69(3)
_cell_volume                     4763.3(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16760
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2459
_exptl_absorpt_coefficient_mu    3.001
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5057
_exptl_absorpt_correction_T_max  0.5518
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            27051
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             16760
_reflns_number_gt                13776
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0522P)²+8.9954P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16760
_refine_ls_number_parameters     1075
_refine_ls_number_restraints     44
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.1058
_refine_ls_wR_factor_gt          0.1002
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.003
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb -0.12009(2) 2.02124(2) -0.446157(9) 0.01984(8) Uani 0.92 1 d P . .
Tb2 Tb -0.52891(2) 1.53755(2) -0.585077(10) 0.02151(8) Uani 0.92 1 d P . .
Tb3 Tb 0.03100(2) 1.87493(2) -0.939656(9) 0.01928(8) Uani 0.92 1 d P . .
Tb4 Tb -0.48374(2) 1.48066(2) -0.085803(10) 0.02065(8) Uani 0.92 1 d P . .
Eu1 Eu -0.12009(2) 2.02124(2) -0.446157(9) 0.01984(8) Uani 0.08 1 d PD . .
Eu2 Eu -0.52891(2) 1.53755(2) -0.585077(10) 0.02151(8) Uani 0.08 1 d PD . .
Eu3 Eu 0.03100(2) 1.87493(2) -0.939656(9) 0.01928(8) Uani 0.08 1 d PD . .
Eu4 Eu -0.48374(2) 1.48066(2) -0.085803(10) 0.02065(8) Uani 0.08 1 d PD . .
O1 O -0.0532(3) 1.9310(3) -0.52833(15) 0.0316(10) Uani 1 1 d . . .
O2 O -0.2004(3) 1.8997(4) -0.47452(16) 0.0343(10) Uani 1 1 d . . .
O3 O -0.4007(4) 1.5674(4) -0.54412(17) 0.0418(12) Uani 1 1 d . . .
O4 O -0.3762(4) 1.5901(3) -0.47165(15) 0.0362(11) Uani 1 1 d . . .
O5 O 0.0457(4) 1.8888(4) -0.85593(16) 0.0488(14) Uani 1 1 d . . .
O6 O -0.0684(4) 1.7848(3) -0.85977(15) 0.0397(12) Uani 1 1 d . . .
O7 O -0.3617(3) 1.5162(3) -0.64225(16) 0.0347(11) Uani 1 1 d . . .
O8 O -0.4053(3) 1.3916(3) -0.57669(15) 0.0300(10) Uani 1 1 d . . .
O9 O -0.1318(3) 1.1343(3) -0.52418(14) 0.0317(10) Uani 1 1 d . . .
O10 O 0.0191(3) 1.1258(3) -0.57748(15) 0.0316(10) Uani 1 1 d . . .
O11 O 0.2604(4) 1.6593(4) -0.85326(18) 0.0458(13) Uani 1 1 d . . .
O12 O 0.3266(3) 1.5077(3) -0.85865(16) 0.0382(11) Uani 1 1 d . . .
O13 O -0.1104(3) 1.9824(3) -0.92225(15) 0.0330(10) Uani 1 1 d . . .
O14 O -0.1235(3) 2.1269(3) -0.97865(14) 0.0313(10) Uani 1 1 d . . .
O15 O -0.4944(4) 2.3525(3) -0.86139(16) 0.0393(12) Uani 1 1 d . . .
O16 O -0.3870(3) 2.3874(3) -0.93352(14) 0.0310(10) Uani 1 1 d . . .
O17 O -0.5102(4) 1.6936(3) -0.63675(16) 0.0390(11) Uani 1 1 d . . .
O18 O -0.5557(5) 1.8143(4) -0.59633(19) 0.0616(17) Uani 1 1 d . . .
O19 O -0.4032(4) 1.5721(3) -0.04575(17) 0.0366(11) Uani 1 1 d . . .
O20 O -0.3888(3) 1.6072(3) 0.02515(15) 0.0355(11) Uani 1 1 d . . .
O21 O -0.0994(4) 1.9693(3) -0.03356(16) 0.0357(11) Uani 1 1 d . . .
O22 O -0.1058(4) 1.8273(3) 0.02492(15) 0.0345(10) Uani 1 1 d . . .
O23 O -0.2210(4) 1.9344(5) -0.36512(17) 0.0551(15) Uani 1 1 d . . .
O24 O -0.0876(4) 2.0185(4) -0.36231(15) 0.0432(12) Uani 1 1 d . . .
O25 O -0.3086(4) 2.0591(5) -0.4445(2) 0.0615(16) Uani 1 1 d D . .
O26 O -0.1450(5) 2.1877(4) -0.43194(19) 0.0549(15) Uani 1 1 d D . .
O27 O -0.5741(5) 1.4610(5) -0.64383(19) 0.0604(16) Uani 1 1 d . . .
O28 O -0.6100(4) 1.6421(4) -0.52809(16) 0.0426(12) Uani 1 1 d D . .
O29 O -0.7140(4) 1.5811(4) -0.59275(19) 0.0449(12) Uani 1 1 d D . .
O30 O 0.0588(4) 1.6996(4) -0.93720(19) 0.0497(13) Uani 1 1 d . . .
O31 O 0.2116(4) 1.8325(4) -0.92636(18) 0.0492(13) Uani 1 1 d D . .
O32 O -0.6244(6) 1.4742(5) -0.1317(2) 0.0724(19) Uani 1 1 d D . .
O33 O -0.4646(4) 1.3220(4) -0.10981(19) 0.0465(13) Uani 1 1 d D . .
O34 O -0.3822(4) 1.3625(3) -0.03008(16) 0.0370(11) Uani 1 1 d D . .
C1 C -0.1744(4) 1.8232(5) -0.5430(2) 0.0245(13) Uani 1 1 d . . .
C2 C -0.2497(4) 1.7530(4) -0.5189(2) 0.0238(12) Uani 1 1 d . . .
H2 H -0.2769 1.7465 -0.4852 0.029 Uiso 1 1 calc R . .
C3 C -0.2846(4) 1.6921(4) -0.5454(2) 0.0232(12) Uani 1 1 d . . .
C4 C -0.2476(5) 1.7052(5) -0.5958(2) 0.0264(13) Uani 1 1 d . . .
H4 H -0.2734 1.6664 -0.6136 0.032 Uiso 1 1 calc R . .
C5 C -0.1709(5) 1.7767(5) -0.6213(2) 0.0290(14) Uani 1 1 d . . .
C6 C -0.1340(5) 1.8339(5) -0.5938(2) 0.0281(13) Uani 1 1 d . . .
H6 H -0.0818 1.8796 -0.6094 0.034 Uiso 1 1 calc R . .
C7 C -0.1340(5) 1.7883(5) -0.6759(2) 0.0300(14) Uani 1 1 d . . .
C8 C -0.0372(6) 1.8319(7) -0.6989(3) 0.053(2) Uani 1 1 d . . .
H8 H 0.0050 1.8521 -0.6798 0.064 Uiso 1 1 calc R . .
C9 C -0.0042(6) 1.8449(7) -0.7507(2) 0.052(2) Uani 1 1 d . . .
H9 H 0.0594 1.8750 -0.7657 0.062 Uiso 1 1 calc R . .
C10 C -0.0629(5) 1.8145(5) -0.7794(2) 0.0303(14) Uani 1 1 d . . .
C11 C -0.1529(6) 1.7625(6) -0.7564(2) 0.0435(18) Uani 1 1 d . . .
H11 H -0.1906 1.7356 -0.7750 0.052 Uiso 1 1 calc R . .
C12 C -0.1865(6) 1.7507(6) -0.7054(2) 0.046(2) Uani 1 1 d . . .
H12 H -0.2473 1.7157 -0.6905 0.056 Uiso 1 1 calc R . .
C13 C -0.1393(5) 1.8888(5) -0.5139(2) 0.0258(13) Uani 1 1 d . . .
C14 C -0.3605(4) 1.6119(4) -0.5185(2) 0.0234(12) Uani 1 1 d . . .
C15 C -0.0263(5) 1.8303(5) -0.8351(2) 0.0302(14) Uani 1 1 d . . .
C16 C -0.2350(4) 1.3832(5) -0.6258(2) 0.0250(13) Uani 1 1 d . . .
C17 C -0.2041(5) 1.2983(5) -0.5922(2) 0.0279(13) Uani 1 1 d . . .
H17 H -0.2495 1.2724 -0.5625 0.033 Uiso 1 1 calc R . .
C18 C -0.1063(5) 1.2516(5) -0.6023(2) 0.0288(14) Uani 1 1 d . . .
C19 C -0.0388(5) 1.2925(5) -0.6464(2) 0.0315(15) Uani 1 1 d . . .
H19 H 0.0267 1.2618 -0.6535 0.038 Uiso 1 1 calc R . .
C20 C -0.0673(5) 1.3790(5) -0.6804(2) 0.0323(15) Uani 1 1 d . . .
C21 C -0.1649(5) 1.4225(5) -0.6689(2) 0.0335(15) Uani 1 1 d . . .
H21 H -0.1844 1.4804 -0.6909 0.040 Uiso 1 1 calc R . .
C22 C 0.0107(5) 1.4261(5) -0.7248(2) 0.0336(15) Uani 1 1 d . . .
C23 C 0.0169(6) 1.5293(5) -0.7402(3) 0.047(2) Uani 1 1 d . . .
H23 H -0.0317 1.5692 -0.7242 0.057 Uiso 1 1 calc R . .
C24 C 0.0945(6) 1.5741(6) -0.7790(3) 0.050(2) Uani 1 1 d . . .
H24 H 0.0969 1.6435 -0.7887 0.060 Uiso 1 1 calc R . .
C25 C 0.1681(5) 1.5169(5) -0.8033(2) 0.0347(16) Uani 1 1 d . . .
C26 C 0.1603(5) 1.4144(5) -0.7893(2) 0.0394(17) Uani 1 1 d . . .
H26 H 0.2072 1.3747 -0.8062 0.047 Uiso 1 1 calc R . .
C27 C 0.0828(5) 1.3696(5) -0.7502(2) 0.0397(17) Uani 1 1 d . . .
H27 H 0.0796 1.3003 -0.7410 0.048 Uiso 1 1 calc R . .
C28 C -0.3401(5) 1.4327(5) -0.6146(2) 0.0266(13) Uani 1 1 d . . .
C29 C -0.0696(5) 1.1624(4) -0.5649(2) 0.0255(13) Uani 1 1 d . . .
C30 C 0.2569(5) 1.5653(5) -0.8416(2) 0.0343(15) Uani 1 1 d . . .
C31 C -0.2375(5) 2.1025(5) -0.8999(2) 0.0269(13) Uani 1 1 d . . .
C32 C -0.2849(5) 2.1973(4) -0.9122(2) 0.0259(13) Uani 1 1 d . . .
H32 H -0.2615 2.2407 -0.9429 0.031 Uiso 1 1 calc R . .
C33 C -0.3664(5) 2.2269(5) -0.8790(2) 0.0273(13) Uani 1 1 d . . .
C34 C -0.4008(5) 2.1623(5) -0.8331(2) 0.0298(14) Uani 1 1 d . . .
H34 H -0.4551 2.1830 -0.8107 0.036 Uiso 1 1 calc R . .
C35 C -0.3557(5) 2.0674(5) -0.8201(2) 0.0298(14) Uani 1 1 d . . .
C36 C -0.2733(5) 2.0379(5) -0.8539(2) 0.0287(14) Uani 1 1 d . . .
H36 H -0.2421 1.9745 -0.8456 0.034 Uiso 1 1 calc R . .
C37 C -0.3986(5) 1.9961(5) -0.7722(2) 0.0303(14) Uani 1 1 d . . .
C38 C -0.4006(6) 1.8957(5) -0.7702(2) 0.0395(17) Uani 1 1 d . . .
H38 H -0.3747 1.8726 -0.7988 0.047 Uiso 1 1 calc R . .
C39 C -0.4409(6) 1.8279(5) -0.7257(2) 0.0406(17) Uani 1 1 d . . .
H39 H -0.4418 1.7603 -0.7251 0.049 Uiso 1 1 calc R . .
C40 C -0.4795(5) 1.8602(5) -0.6824(2) 0.0328(15) Uani 1 1 d . . .
C41 C -0.4775(6) 1.9606(5) -0.6847(3) 0.048(2) Uani 1 1 d . . .
H41 H -0.5036 1.9837 -0.6561 0.057 Uiso 1 1 calc R . .
C42 C -0.4378(6) 2.0280(5) -0.7283(3) 0.048(2) Uani 1 1 d . . .
H42 H -0.4371 2.0954 -0.7287 0.057 Uiso 1 1 calc R . .
C43 C -0.1503(5) 2.0684(5) -0.9361(2) 0.0262(13) Uani 1 1 d . . .
C44 C -0.4187(5) 2.3278(5) -0.8920(2) 0.0271(13) Uani 1 1 d . . .
C45 C -0.5193(5) 1.7838(5) -0.6348(2) 0.0366(16) Uani 1 1 d . . .
C46 C -0.3009(4) 1.7078(4) -0.0482(2) 0.0210(12) Uani 1 1 d . . .
C47 C -0.2480(4) 1.7534(4) -0.0212(2) 0.0229(12) Uani 1 1 d . . .
H47 H -0.2542 1.7293 0.0133 0.027 Uiso 1 1 calc R . .
C48 C -0.1858(5) 1.8349(4) -0.0453(2) 0.0247(13) Uani 1 1 d . . .
C49 C -0.1771(5) 1.8705(5) -0.0964(2) 0.0273(13) Uani 1 1 d . . .
H49 H -0.1383 1.9270 -0.1123 0.033 Uiso 1 1 calc R . .
C50 C -0.2252(5) 1.8236(5) -0.1250(2) 0.0282(14) Uani 1 1 d . . .
C51 C -0.2876(5) 1.7427(5) -0.1005(2) 0.0262(13) Uani 1 1 d . . .
H51 H -0.3209 1.7111 -0.1190 0.031 Uiso 1 1 calc R . .
C52 C -0.2105(5) 1.8586(5) -0.1806(2) 0.0316(14) Uani 1 1 d . . .
C53 C -0.2868(5) 1.8517(6) -0.2073(2) 0.0419(18) Uani 1 1 d . . .
H53 H -0.3506 1.8246 -0.1902 0.050 Uiso 1 1 calc R . .
C54 C -0.2723(6) 1.8834(6) -0.2584(2) 0.0454(19) Uani 1 1 d . . .
H54 H -0.3261 1.8776 -0.2754 0.054 Uiso 1 1 calc R . .
C55 C -0.1780(5) 1.9240(5) -0.2852(2) 0.0318(15) Uani 1 1 d . . .
C56 C -0.1006(6) 1.9313(5) -0.2592(2) 0.0385(16) Uani 1 1 d . . .
H56 H -0.0364 1.9575 -0.2765 0.046 Uiso 1 1 calc R . .
C57 C -0.1162(5) 1.9003(6) -0.2074(2) 0.0403(18) Uani 1 1 d . . .
H57 H -0.0631 1.9073 -0.1903 0.048 Uiso 1 1 calc R . .
C58 C -0.3697(4) 1.6230(4) -0.0213(2) 0.0244(13) Uani 1 1 d . . .
C59 C -0.1263(4) 1.8809(5) -0.0155(2) 0.0248(13) Uani 1 1 d . . .
C60 C -0.1608(5) 1.9615(5) -0.3414(2) 0.0324(15) Uani 1 1 d . . .
N1 N -0.6204(9) 1.3733(9) -0.6929(4) 0.108(3) Uiso 1 1 d . . .
N2 N 0.1085(7) 1.5669(7) -0.9729(3) 0.077(2) Uiso 1 1 d . . .
C61 C -0.5594(13) 1.4323(12) -0.6779(6) 0.133(5) Uiso 1 1 d . . .
H61 H -0.4965 1.4509 -0.6994 0.160 Uiso 1 1 calc R . .
C62 C -0.7053(16) 1.3196(16) -0.6630(8) 0.198(9) Uiso 1 1 d . . .
H62A H -0.7353 1.2844 -0.6825 0.297 Uiso 1 1 calc R . .
H62B H -0.7573 1.3648 -0.6506 0.297 Uiso 1 1 calc R . .
H62C H -0.6818 1.2726 -0.6354 0.297 Uiso 1 1 calc R . .
C63 C -0.5714(15) 1.3536(15) -0.7430(7) 0.175(8) Uiso 1 1 d . . .
H63A H -0.6162 1.3121 -0.7526 0.263 Uiso 1 1 calc R . .
H63B H -0.5041 1.3204 -0.7406 0.263 Uiso 1 1 calc R . .
H63C H -0.5627 1.4159 -0.7677 0.263 Uiso 1 1 calc R . .
C64 C 0.0769(8) 1.6621(8) -0.9751(4) 0.076(3) Uiso 1 1 d . . .
H64 H 0.0678 1.7029 -1.0060 0.092 Uiso 1 1 calc R . .
C65 C 0.1386(10) 1.5324(10) -1.0194(4) 0.099(4) Uiso 1 1 d . . .
H65A H 0.1595 1.4629 -1.0115 0.148 Uiso 1 1 calc R . .
H65B H 0.1961 1.5705 -1.0404 0.148 Uiso 1 1 calc R . .
H65C H 0.0798 1.5412 -1.0367 0.148 Uiso 1 1 calc R . .
C66 C 0.1178(10) 1.5014(10) -0.9244(5) 0.109(4) Uiso 1 1 d . . .
H66A H 0.1419 1.4361 -0.9286 0.163 Uiso 1 1 calc R . .
H66B H 0.0504 1.4969 -0.9029 0.163 Uiso 1 1 calc R . .
H66C H 0.1671 1.5280 -0.9096 0.163 Uiso 1 1 calc R . .
O35 O 0.6022(5) 0.1531(5) -0.0038(2) 0.0621(15) Uiso 1 1 d . . .
N3 N 0.5442(5) 0.0169(5) 0.0565(2) 0.0498(16) Uiso 1 1 d . . .
C67 C 0.5387(7) 0.1135(7) 0.0341(3) 0.066(2) Uiso 1 1 d . . .
H67 H 0.4852 0.1533 0.0472 0.079 Uiso 1 1 calc R . .
C68 C 0.4656(10) -0.0198(10) 0.0994(5) 0.110(4) Uiso 1 1 d . . .
H68A H 0.4789 -0.0898 0.1126 0.165 Uiso 1 1 calc R . .
H68B H 0.3975 -0.0100 0.0898 0.165 Uiso 1 1 calc R . .
H68C H 0.4679 0.0158 0.1246 0.165 Uiso 1 1 calc R . .
C69 C 0.6254(9) -0.0484(9) 0.0414(4) 0.088(3) Uiso 1 1 d . . .
H69A H 0.6151 -0.1142 0.0628 0.131 Uiso 1 1 calc R . .
H69B H 0.6919 -0.0250 0.0436 0.131 Uiso 1 1 calc R . .
H69C H 0.6247 -0.0507 0.0074 0.131 Uiso 1 1 calc R . .
O36 O 0.2176(5) 0.7495(5) 0.3452(2) 0.0728(18) Uiso 1 1 d . . .
N4 N 0.2871(5) 0.7724(6) 0.2631(3) 0.0579(18) Uiso 1 1 d . . .
C70 C 0.2408(8) 0.8018(8) 0.3022(4) 0.074(3) Uiso 1 1 d . . .
H70 H 0.2229 0.8696 0.2976 0.089 Uiso 1 1 calc R . .
C71 C 0.3073(9) 0.8420(9) 0.2143(4) 0.097(4) Uiso 1 1 d . . .
H71A H 0.3416 0.8070 0.1898 0.146 Uiso 1 1 calc R . .
H71B H 0.3517 0.8935 0.2157 0.146 Uiso 1 1 calc R . .
H71C H 0.2420 0.8715 0.2053 0.146 Uiso 1 1 calc R . .
C72 C 0.3228(9) 0.6684(8) 0.2675(4) 0.086(3) Uiso 1 1 d . . .
H72A H 0.3546 0.6590 0.2351 0.129 Uiso 1 1 calc R . .
H72B H 0.2639 0.6257 0.2807 0.129 Uiso 1 1 calc R . .
H72C H 0.3733 0.6520 0.2897 0.129 Uiso 1 1 calc R . .
O37 O 0.8655(5) 0.3870(5) 0.5102(3) 0.0748(18) Uiso 1 1 d . . .
N5 N 0.9855(5) 0.4541(5) 0.4430(2) 0.0519(16) Uiso 1 1 d . . .
C73 C 0.8912(7) 0.4496(7) 0.4709(3) 0.063(2) Uiso 1 1 d . . .
H73 H 0.8406 0.4973 0.4599 0.076 Uiso 1 1 calc R . .
C74 C 1.0082(9) 0.5349(9) 0.3993(4) 0.090(3) Uiso 1 1 d . . .
H74A H 1.0797 0.5280 0.3833 0.136 Uiso 1 1 calc R . .
H74B H 0.9981 0.5974 0.4090 0.136 Uiso 1 1 calc R . .
H74C H 0.9619 0.5331 0.3764 0.136 Uiso 1 1 calc R . .
C75 C 1.0648(8) 0.3826(8) 0.4558(4) 0.079(3) Uiso 1 1 d . . .
H75A H 1.1276 0.3980 0.4314 0.118 Uiso 1 1 calc R . .
H75B H 1.0424 0.3175 0.4565 0.118 Uiso 1 1 calc R . .
H75C H 1.0787 0.3835 0.4882 0.118 Uiso 1 1 calc R . .
O38 O 0.7097(10) 0.4149(11) 0.2112(5) 0.175(5) Uiso 1 1 d . . .
N6 N 0.8085(16) 0.2643(15) 0.2214(8) 0.202(7) Uiso 1 1 d . . .
C76 C 0.721(2) 0.316(2) 0.2471(10) 0.224(11) Uiso 1 1 d . . .
H76 H 0.6806 0.2923 0.2785 0.268 Uiso 1 1 calc R . .
C77 C 0.870(2) 0.302(2) 0.1701(11) 0.270(14) Uiso 1 1 d . . .
H77A H 0.9232 0.2522 0.1628 0.405 Uiso 1 1 calc R . .
H77B H 0.9036 0.3624 0.1687 0.405 Uiso 1 1 calc R . .
H77C H 0.8244 0.3143 0.1459 0.405 Uiso 1 1 calc R . .
C78 C 0.807(2) 0.167(2) 0.2708(10) 0.257(13) Uiso 1 1 d . . .
H78A H 0.8612 0.1187 0.2630 0.386 Uiso 1 1 calc R . .
H78B H 0.7399 0.1361 0.2786 0.386 Uiso 1 1 calc R . .
H78C H 0.8193 0.1889 0.2991 0.386 Uiso 1 1 calc R . .
O39 O 0.6090(15) 0.2058(14) 0.3343(7) 0.242(7) Uiso 1 1 d D . .
N7 N 0.5680(17) 0.1234(17) 0.4235(9) 0.232(9) Uiso 1 1 d D . .
C79 C 0.538(2) 0.195(2) 0.3792(9) 0.282(15) Uiso 1 1 d D . .
H79 H 0.4741 0.2306 0.3811 0.338 Uiso 1 1 calc R . .
C80 C 0.5283(19) 0.1482(18) 0.4719(9) 0.235(11) Uiso 1 1 d D . .
H80A H 0.4701 0.1953 0.4685 0.352 Uiso 1 1 calc R . .
H80B H 0.5832 0.1770 0.4822 0.352 Uiso 1 1 calc R . .
H80C H 0.5056 0.0886 0.4966 0.352 Uiso 1 1 calc R . .
C81 C 0.6568(18) 0.0548(18) 0.4114(9) 0.221(10) Uiso 1 1 d D . .
H81A H 0.6624 0.0504 0.3773 0.332 Uiso 1 1 calc R . .
H81B H 0.6450 -0.0104 0.4333 0.332 Uiso 1 1 calc R . .
H81C H 0.7208 0.0797 0.4158 0.332 Uiso 1 1 calc R . .
O1W O 0.6456(7) 0.5811(7) 0.2511(3) 0.111(3) Uiso 1 1 d . . .
O2W O 0.5966(7) 0.7232(7) 0.1675(3) 0.113(3) Uiso 1 1 d . . .
O3W O 0.7877(10) 0.6843(10) 0.1093(5) 0.174(5) Uiso 1 1 d . . .
H25A H -0.364(3) 2.013(6) -0.449(7) 0.262 Uiso 1 1 d D . .
H25B H -0.354(3) 2.109(9) -0.428(6) 0.262 Uiso 1 1 d D . .
H26A H -0.206(7) 2.217(5) -0.410(6) 0.262 Uiso 1 1 d D . .
H26B H -0.090(4) 2.242(5) -0.437(6) 0.262 Uiso 1 1 d D . .
H28A H -0.651(12) 1.616(3) -0.495(3) 0.262 Uiso 1 1 d D . .
H28B H -0.623(13) 1.715(2) -0.539(2) 0.262 Uiso 1 1 d D . .
H29A H -0.764(5) 1.626(11) -0.575(5) 0.262 Uiso 1 1 d D . .
H29B H -0.750(5) 1.578(13) -0.621(4) 0.262 Uiso 1 1 d D . .
H31A H 0.2792(17) 1.864(9) -0.948(4) 0.262 Uiso 1 1 d D . .
H31B H 0.240(3) 1.769(6) -0.905(6) 0.262 Uiso 1 1 d D . .
H32A H -0.699(3) 1.493(14) -0.122(4) 0.262 Uiso 1 1 d D . .
H32B H -0.620(6) 1.436(12) -0.158(5) 0.262 Uiso 1 1 d D . .
H33A H -0.395(4) 1.284(7) -0.114(6) 0.262 Uiso 1 1 d D . .
H33B H -0.503(10) 1.306(6) -0.135(5) 0.262 Uiso 1 1 d D . .
H34A H -0.347(12) 1.375(4) -0.003(5) 0.262 Uiso 1 1 d D . .
H34B H -0.380(12) 1.2864(15) -0.022(5) 0.262 Uiso 1 1 d D . .


_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
Tb1 O1 2.320(4) 2_594 ?
Tb1 O10 2.352(4) 2_584 ?
Tb1 O9 2.372(4) 1_565 ?
Tb1 O2 2.399(4) . ?
Tb1 O26 2.417(5) . ?
Tb1 O24 2.448(4) . ?
Tb1 O25 2.453(5) . ?
Tb1 O23 2.466(5) . ?
Tb1 C60 2.799(6) . ?
Tb1 O1 2.847(5) . ?
Tb1 C13 2.992(6) . ?
Tb1 Eu1 4.0296(14) 2_594 ?
Tb2 O17 2.281(4) . ?
Tb2 O3 2.297(4) . ?
Tb2 O4 2.315(4) 2_484 ?
Tb2 O27 2.338(5) . ?
Tb2 O28 2.453(5) . ?
Tb2 O29 2.463(4) . ?
Tb2 O8 2.470(4) . ?
Tb2 O7 2.489(4) . ?
Tb2 C28 2.843(6) . ?
Tb3 O21 2.286(4) 2_594 ?
Tb3 O13 2.327(4) . ?
Tb3 O14 2.381(4) 2_593 ?
Tb3 O22 2.387(4) 1_554 ?
Tb3 O30 2.407(5) . ?
Tb3 O5 2.438(4) . ?
Tb3 O31 2.441(5) . ?
Tb3 O6 2.450(4) . ?
Tb3 C15 2.803(6) . ?
Tb4 O19 2.295(4) . ?
Tb4 O20 2.308(4) 2_485 ?
Tb4 O12 2.311(4) 2_584 ?
Tb4 O33 2.429(5) . ?
Tb4 O32 2.432(5) . ?
Tb4 O15 2.438(4) 2_494 ?
Tb4 O34 2.449(4) . ?
Tb4 O16 2.472(4) 2_494 ?
Tb4 C44 2.820(6) 2_494 ?
O1 C13 1.250(7) . ?
O1 Eu1 2.320(4) 2_594 ?
O1 Tb1 2.320(4) 2_594 ?
O2 C13 1.266(7) . ?
O3 C14 1.251(7) . ?
O4 C14 1.250(7) . ?
O4 Eu2 2.315(4) 2_484 ?
O4 Tb2 2.315(4) 2_484 ?
O5 C15 1.242(8) . ?
O6 C15 1.254(8) . ?
O7 C28 1.264(7) . ?
O8 C28 1.267(7) . ?
O9 C29 1.260(7) . ?
O9 Eu1 2.372(4) 1_545 ?
O9 Tb1 2.372(4) 1_545 ?
O10 C29 1.246(7) . ?
O10 Eu1 2.352(4) 2_584 ?
O10 Tb1 2.352(4) 2_584 ?
O11 C30 1.260(8) . ?
O12 C30 1.264(8) . ?
O12 Eu4 2.311(4) 2_584 ?
O12 Tb4 2.311(4) 2_584 ?
O13 C43 1.258(7) . ?
O14 C43 1.266(7) . ?
O14 Eu3 2.381(4) 2_593 ?
O14 Tb3 2.381(4) 2_593 ?
O15 C44 1.263(7) . ?
O15 Eu4 2.438(4) 2_494 ?
O15 Tb4 2.438(4) 2_494 ?
O16 C44 1.264(7) . ?
O16 Eu4 2.472(4) 2_494 ?
O16 Tb4 2.472(4) 2_494 ?
O17 C45 1.256(8) . ?
O18 C45 1.250(8) . ?
O19 C58 1.242(7) . ?
O20 C58 1.243(7) . ?
O20 Eu4 2.308(4) 2_485 ?
O20 Tb4 2.308(4) 2_485 ?
O21 C59 1.249(7) . ?
O21 Eu3 2.286(4) 2_594 ?
O21 Tb3 2.286(4) 2_594 ?
O22 C59 1.250(7) . ?
O22 Eu3 2.387(4) 1_556 ?
O22 Tb3 2.387(4) 1_556 ?
O23 C60 1.242(8) . ?
O24 C60 1.241(8) . ?
O25 H25A 1.029(19) . ?
O25 H25B 1.017(19) . ?
O26 H26A 1.029(18) . ?
O26 H26B 1.035(18) . ?
O27 C61 1.100(16) . ?
O28 H28A 0.982(18) . ?
O28 H28B 0.982(18) . ?
O29 H29A 1.014(19) . ?
O29 H29B 1.017(19) . ?
O30 C64 1.268(11) . ?
O31 H31A 1.025(18) . ?
O31 H31B 1.020(18) . ?
O32 H32A 0.988(18) . ?
O32 H32B 0.993(18) . ?
O33 H33A 1.01(2) . ?
O33 H33B 1.00(2) . ?
O34 H34A 1.022(18) . ?
O34 H34B 1.020(18) . ?
C1 C2 1.386(8) . ?
C1 C6 1.394(8) . ?
C1 C13 1.501(8) . ?
C2 C3 1.394(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.375(8) . ?
C3 C14 1.497(8) . ?
C4 C5 1.418(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.393(8) . ?
C5 C7 1.484(8) . ?
C6 H6 0.9300 . ?
C7 C12 1.373(9) . ?
C7 C8 1.405(9) . ?
C8 C9 1.403(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.356(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(9) . ?
C10 C15 1.509(8) . ?
C11 C12 1.384(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 Eu2 3.265(6) 2_484 ?
C16 C21 1.386(8) . ?
C16 C17 1.394(8) . ?
C16 C28 1.492(8) . ?
C17 C18 1.392(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.392(8) . ?
C18 C29 1.515(8) . ?
C19 C20 1.403(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.376(9) . ?
C20 C22 1.492(8) . ?
C21 H21 0.9300 . ?
C22 C27 1.381(9) . ?
C22 C23 1.387(10) . ?
C23 C24 1.389(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.383(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.379(10) . ?
C25 C30 1.491(9) . ?
C26 C27 1.393(9) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C31 C32 1.394(8) . ?
C31 C36 1.395(8) . ?
C31 C43 1.502(8) . ?
C32 C33 1.381(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.387(8) . ?
C33 C44 1.494(8) . ?
C34 C35 1.386(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.396(8) . ?
C35 C37 1.494(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.377(9) . ?
C37 C42 1.399(9) . ?
C38 C39 1.399(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.386(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.375(10) . ?
C40 C45 1.512(8) . ?
C41 C42 1.377(9) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C44 Eu4 2.820(6) 2_494 ?
C44 Tb4 2.820(6) 2_494 ?
C46 C47 1.389(8) . ?
C46 C51 1.405(8) . ?
C46 C58 1.485(8) . ?
C47 C48 1.390(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.378(8) . ?
C48 C59 1.505(8) . ?
C49 C50 1.395(8) . ?
C49 H49 0.9300 . ?
C50 C51 1.387(8) . ?
C50 C52 1.490(8) . ?
C51 H51 0.9300 . ?
C52 C53 1.366(9) . ?
C52 C57 1.393(9) . ?
C53 C54 1.369(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.388(9) . ?
C54 H54 0.9300 . ?
C55 C56 1.367(9) . ?
C55 C60 1.508(8) . ?
C56 C57 1.385(9) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C59 Eu3 3.184(6) 1_556 ?
N1 C61 1.363(17) . ?
N1 C62 1.39(2) . ?
N1 C63 1.506(19) . ?
N2 C64 1.339(13) . ?
N2 C66 1.453(14) . ?
N2 C65 1.469(13) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O35 C67 1.250(10) . ?
N3 C67 1.330(11) . ?
N3 C69 1.407(12) . ?
N3 C68 1.435(13) . ?
C67 H67 0.9300 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
O36 C70 1.235(11) . ?
N4 C70 1.290(11) . ?
N4 C71 1.453(13) . ?
N4 C72 1.458(12) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
O37 C73 1.228(10) . ?
N5 C73 1.319(11) . ?
N5 C75 1.402(11) . ?
N5 C74 1.438(12) . ?
C73 H73 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
O38 C76 1.50(3) . ?
N6 C76 1.47(3) . ?
N6 C77 1.50(3) . ?
N6 C78 1.67(3) . ?
C76 H76 0.9300 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
O39 C79 1.397(17) . ?
N7 C80 1.470(16) . ?
N7 C79 1.474(17) . ?
N7 C81 1.480(16) . ?
C79 H79 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Tb1 O10 74.96(15) 2_594 2_584 ?
O1 Tb1 O9 79.67(15) 2_594 1_565 ?
O10 Tb1 O9 133.39(14) 2_584 1_565 ?
O1 Tb1 O2 125.55(15) 2_594 . ?
O10 Tb1 O2 76.42(16) 2_584 . ?
O9 Tb1 O2 87.96(16) 1_565 . ?
O1 Tb1 O26 82.34(19) 2_594 . ?
O10 Tb1 O26 139.48(18) 2_584 . ?
O9 Tb1 O26 72.32(16) 1_565 . ?
O2 Tb1 O26 142.90(18) . . ?
O1 Tb1 O24 84.29(15) 2_594 . ?
O10 Tb1 O24 74.46(17) 2_584 . ?
O9 Tb1 O24 140.77(16) 1_565 . ?
O2 Tb1 O24 129.82(15) . . ?
O26 Tb1 O24 70.21(17) . . ?
O1 Tb1 O25 150.38(19) 2_594 . ?
O10 Tb1 O25 134.27(18) 2_584 . ?
O9 Tb1 O25 74.96(19) 1_565 . ?
O2 Tb1 O25 68.91(18) . . ?
O26 Tb1 O25 75.6(2) . . ?
O24 Tb1 O25 106.06(19) . . ?
O1 Tb1 O23 133.23(15) 2_594 . ?
O10 Tb1 O23 76.46(17) 2_584 . ?
O9 Tb1 O23 144.70(16) 1_565 . ?
O2 Tb1 O23 81.39(16) . . ?
O26 Tb1 O23 96.66(19) . . ?
O24 Tb1 O23 52.58(16) . . ?
O25 Tb1 O23 69.8(2) . . ?
O1 Tb1 C60 108.66(17) 2_594 . ?
O10 Tb1 C60 72.70(17) 2_584 . ?
O9 Tb1 C60 153.56(17) 1_565 . ?
O2 Tb1 C60 105.51(18) . . ?
O26 Tb1 C60 83.75(19) . . ?
O24 Tb1 C60 26.28(17) . . ?
O25 Tb1 C60 88.6(2) . . ?
O23 Tb1 C60 26.33(18) . . ?
O1 Tb1 O1 77.99(15) 2_594 . ?
O10 Tb1 O1 69.05(14) 2_584 . ?
O9 Tb1 O1 67.81(14) 1_565 . ?
O2 Tb1 O1 48.62(13) . . ?
O26 Tb1 O1 137.93(15) . . ?
O24 Tb1 O1 142.41(16) . . ?
O25 Tb1 O1 105.65(17) . . ?
O23 Tb1 O1 123.76(17) . . ?
C60 Tb1 O1 137.80(16) . . ?
O1 Tb1 C13 102.27(16) 2_594 . ?
O10 Tb1 C13 72.11(16) 2_584 . ?
O9 Tb1 C13 76.05(16) 1_565 . ?
O2 Tb1 C13 24.09(15) . . ?
O26 Tb1 C13 146.65(17) . . ?
O24 Tb1 C13 142.74(16) . . ?
O25 Tb1 C13 86.31(18) . . ?
O23 Tb1 C13 103.16(18) . . ?
C60 Tb1 C13 124.17(18) . . ?
O1 Tb1 C13 24.57(14) . . ?
O1 Tb1 Eu1 43.71(11) 2_594 2_594 ?
O10 Tb1 Eu1 66.29(10) 2_584 2_594 ?
O9 Tb1 Eu1 68.28(10) 1_565 2_594 ?
O2 Tb1 Eu1 82.40(10) . 2_594 ?
O26 Tb1 Eu1 116.60(14) . 2_594 ?
O24 Tb1 Eu1 120.17(13) . 2_594 ?
O25 Tb1 Eu1 133.72(14) . 2_594 ?
O23 Tb1 Eu1 141.91(15) . 2_594 ?
C60 Tb1 Eu1 135.04(14) . 2_594 ?
O1 Tb1 Eu1 34.28(8) . 2_594 ?
C13 Tb1 Eu1 58.66(11) . 2_594 ?
O17 Tb2 O3 90.17(18) . . ?
O17 Tb2 O4 154.05(17) . 2_484 ?
O3 Tb2 O4 104.38(16) . 2_484 ?
O17 Tb2 O27 96.2(2) . . ?
O3 Tb2 O27 147.56(19) . . ?
O4 Tb2 O27 83.04(19) 2_484 . ?
O17 Tb2 O28 78.70(16) . . ?
O3 Tb2 O28 72.87(18) . . ?
O4 Tb2 O28 85.13(16) 2_484 . ?
O27 Tb2 O28 139.58(19) . . ?
O17 Tb2 O29 80.29(18) . . ?
O3 Tb2 O29 141.10(18) . . ?
O4 Tb2 O29 74.89(17) 2_484 . ?
O27 Tb2 O29 71.31(18) . . ?
O28 Tb2 O29 68.30(17) . . ?
O17 Tb2 O8 130.30(15) . . ?
O3 Tb2 O8 71.94(17) . . ?
O4 Tb2 O8 75.27(15) 2_484 . ?
O27 Tb2 O8 79.84(17) . . ?
O28 Tb2 O8 133.49(15) . . ?
O29 Tb2 O8 140.45(16) . . ?
O17 Tb2 O7 78.32(15) . . ?
O3 Tb2 O7 75.86(16) . . ?
O4 Tb2 O7 125.69(16) 2_484 . ?
O27 Tb2 O7 74.40(18) . . ?
O28 Tb2 O7 140.78(17) . . ?
O29 Tb2 O7 136.93(15) . . ?
O8 Tb2 O7 52.70(13) . . ?
O17 Tb2 C28 104.08(17) . . ?
O3 Tb2 C28 70.47(18) . . ?
O4 Tb2 C28 101.04(17) 2_484 . ?
O27 Tb2 C28 77.13(19) . . ?
O28 Tb2 C28 143.21(18) . . ?
O29 Tb2 C28 148.43(17) . . ?
O8 Tb2 C28 26.42(15) . . ?
O7 Tb2 C28 26.36(15) . . ?
O21 Tb3 O13 75.53(16) 2_594 . ?
O21 Tb3 O14 77.68(15) 2_594 2_593 ?
O13 Tb3 O14 124.90(15) . 2_593 ?
O21 Tb3 O22 122.07(16) 2_594 1_554 ?
O13 Tb3 O22 75.29(16) . 1_554 ?
O14 Tb3 O22 79.83(15) 2_593 1_554 ?
O21 Tb3 O30 146.76(17) 2_594 . ?
O13 Tb3 O30 137.14(17) . . ?
O14 Tb3 O30 76.40(16) 2_593 . ?
O22 Tb3 O30 72.95(17) 1_554 . ?
O21 Tb3 O5 85.49(17) 2_594 . ?
O13 Tb3 O5 77.99(17) . . ?
O14 Tb3 O5 145.65(16) 2_593 . ?
O22 Tb3 O5 134.01(16) 1_554 . ?
O30 Tb3 O5 104.86(19) . . ?
O21 Tb3 O31 80.55(18) 2_594 . ?
O13 Tb3 O31 142.05(18) . . ?
O14 Tb3 O31 76.69(16) 2_593 . ?
O22 Tb3 O31 142.62(18) 1_554 . ?
O30 Tb3 O31 73.5(2) . . ?
O5 Tb3 O31 71.09(18) . . ?
O21 Tb3 O6 133.06(15) 2_594 . ?
O13 Tb3 O6 75.54(16) . . ?
O14 Tb3 O6 148.97(15) 2_593 . ?
O22 Tb3 O6 84.46(15) 1_554 . ?
O30 Tb3 O6 73.46(17) . . ?
O5 Tb3 O6 52.73(15) . . ?
O31 Tb3 O6 101.34(17) . . ?
O21 Tb3 C15 109.01(17) 2_594 . ?
O13 Tb3 C15 73.85(17) . . ?
O14 Tb3 C15 161.20(17) 2_593 . ?
O22 Tb3 C15 109.19(17) 1_554 . ?
O30 Tb3 C15 90.26(18) . . ?
O5 Tb3 C15 26.25(17) . . ?
O31 Tb3 C15 86.94(18) . . ?
O6 Tb3 C15 26.55(17) . . ?
O19 Tb4 O20 105.65(16) . 2_485 ?
O19 Tb4 O12 84.87(17) . 2_584 ?
O20 Tb4 O12 153.02(17) 2_485 2_584 ?
O19 Tb4 O33 140.54(17) . . ?
O20 Tb4 O33 80.51(17) 2_485 . ?
O12 Tb4 O33 76.03(17) 2_584 . ?
O19 Tb4 O32 146.94(19) . . ?
O20 Tb4 O32 76.8(2) 2_485 . ?
O12 Tb4 O32 108.1(2) 2_584 . ?
O33 Tb4 O32 72.5(2) . . ?
O19 Tb4 O15 80.21(17) . 2_494 ?
O20 Tb4 O15 126.20(16) 2_485 2_494 ?
O12 Tb4 O15 79.57(15) 2_584 2_494 ?
O33 Tb4 O15 128.12(17) . 2_494 ?
O32 Tb4 O15 72.8(2) . 2_494 ?
O19 Tb4 O34 72.84(16) . . ?
O20 Tb4 O34 76.50(16) 2_485 . ?
O12 Tb4 O34 83.33(16) 2_584 . ?
O33 Tb4 O34 70.91(17) . . ?
O32 Tb4 O34 137.43(19) . . ?
O15 Tb4 O34 149.17(17) 2_494 . ?
O19 Tb4 O16 73.87(16) . 2_494 ?
O20 Tb4 O16 76.72(15) 2_485 2_494 ?
O12 Tb4 O16 130.26(15) 2_584 2_494 ?
O33 Tb4 O16 143.48(16) . 2_494 ?
O32 Tb4 O16 74.75(19) . 2_494 ?
O15 Tb4 O16 53.12(13) 2_494 2_494 ?
O34 Tb4 O16 129.06(14) . 2_494 ?
O19 Tb4 C44 75.91(17) . 2_494 ?
O20 Tb4 C44 101.53(17) 2_485 2_494 ?
O12 Tb4 C44 105.16(17) 2_584 2_494 ?
O33 Tb4 C44 142.20(18) . 2_494 ?
O32 Tb4 C44 71.38(19) . 2_494 ?
O15 Tb4 C44 26.53(15) 2_494 2_494 ?
O34 Tb4 C44 146.71(16) . 2_494 ?
O16 Tb4 C44 26.60(15) 2_494 2_494 ?
C13 O1 Eu1 169.1(4) . 2_594 ?
C13 O1 Tb1 169.1(4) . 2_594 ?
Eu1 O1 Tb1 0.00(2) 2_594 2_594 ?
C13 O1 Tb1 84.2(4) . . ?
Eu1 O1 Tb1 102.01(14) 2_594 . ?
Tb1 O1 Tb1 102.01(14) 2_594 . ?
C13 O2 Tb1 105.2(4) . . ?
C14 O3 Tb2 155.1(5) . . ?
C14 O4 Eu2 130.2(4) . 2_484 ?
C14 O4 Tb2 130.2(4) . 2_484 ?
Eu2 O4 Tb2 0.000(18) 2_484 2_484 ?
C15 O5 Tb3 93.5(4) . . ?
C15 O6 Tb3 92.6(4) . . ?
C28 O7 Tb2 92.6(3) . . ?
C28 O8 Tb2 93.4(3) . . ?
C29 O9 Eu1 135.1(4) . 1_545 ?
C29 O9 Tb1 135.1(4) . 1_545 ?
Eu1 O9 Tb1 0.000(14) 1_545 1_545 ?
C29 O10 Eu1 139.4(4) . 2_584 ?
C29 O10 Tb1 139.4(4) . 2_584 ?
Eu1 O10 Tb1 0.000(15) 2_584 2_584 ?
C30 O12 Eu4 138.5(4) . 2_584 ?
C30 O12 Tb4 138.5(4) . 2_584 ?
Eu4 O12 Tb4 0.00(2) 2_584 2_584 ?
C43 O13 Tb3 144.6(4) . . ?
C43 O14 Eu3 140.5(4) . 2_593 ?
C43 O14 Tb3 140.5(4) . 2_593 ?
Eu3 O14 Tb3 0.000(14) 2_593 2_593 ?
C44 O15 Eu4 93.9(4) . 2_494 ?
C44 O15 Tb4 93.9(4) . 2_494 ?
Eu4 O15 Tb4 0.000(19) 2_494 2_494 ?
C44 O16 Eu4 92.3(3) . 2_494 ?
C44 O16 Tb4 92.3(3) . 2_494 ?
Eu4 O16 Tb4 0.000(14) 2_494 2_494 ?
C45 O17 Tb2 140.1(4) . . ?
C58 O19 Tb4 173.5(4) . . ?
C58 O20 Eu4 133.5(4) . 2_485 ?
C58 O20 Tb4 133.5(4) . 2_485 ?
Eu4 O20 Tb4 0.000(11) 2_485 2_485 ?
C59 O21 Eu3 171.9(4) . 2_594 ?
C59 O21 Tb3 171.9(4) . 2_594 ?
Eu3 O21 Tb3 0.000(16) 2_594 2_594 ?
C59 O22 Eu3 118.8(4) . 1_556 ?
C59 O22 Tb3 118.8(4) . 1_556 ?
Eu3 O22 Tb3 0.000(14) 1_556 1_556 ?
C60 O23 Tb1 92.0(4) . . ?
C60 O24 Tb1 92.9(4) . . ?
Tb1 O25 H25A 127(2) . . ?
Tb1 O25 H25B 128(2) . . ?
H25A O25 H25B 102(2) . . ?
Tb1 O26 H26A 130(2) . . ?
Tb1 O26 H26B 129(2) . . ?
H26A O26 H26B 99(2) . . ?
C61 O27 Tb2 155.0(11) . . ?
Tb2 O28 H28A 124(2) . . ?
Tb2 O28 H28B 124(2) . . ?
H28A O28 H28B 110(2) . . ?
Tb2 O29 H29A 128(2) . . ?
Tb2 O29 H29B 127(2) . . ?
H29A O29 H29B 103(2) . . ?
C64 O30 Tb3 125.4(6) . . ?
Tb3 O31 H31A 128(2) . . ?
Tb3 O31 H31B 129(2) . . ?
H31A O31 H31B 102(2) . . ?
Tb4 O32 H32A 127(2) . . ?
Tb4 O32 H32B 124(2) . . ?
H32A O32 H32B 107(2) . . ?
Tb4 O33 H33A 123(2) . . ?
Tb4 O33 H33B 123(2) . . ?
H33A O33 H33B 105(3) . . ?
Tb4 O34 H34A 128(2) . . ?
Tb4 O34 H34B 129(2) . . ?
H34A O34 H34B 101(2) . . ?
C2 C1 C6 120.3(5) . . ?
C2 C1 C13 118.9(5) . . ?
C6 C1 C13 120.8(5) . . ?
C1 C2 C3 120.0(5) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 119.7(5) . . ?
C4 C3 C14 120.4(5) . . ?
C2 C3 C14 119.9(5) . . ?
C3 C4 C5 121.2(5) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C6 C5 C4 118.0(5) . . ?
C6 C5 C7 122.8(5) . . ?
C4 C5 C7 119.2(5) . . ?
C5 C6 C1 120.6(5) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C12 C7 C8 116.6(6) . . ?
C12 C7 C5 122.9(6) . . ?
C8 C7 C5 120.3(6) . . ?
C9 C8 C7 119.9(6) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 121.4(7) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 119.1(6) . . ?
C9 C10 C15 120.4(6) . . ?
C11 C10 C15 120.3(6) . . ?
C10 C11 C12 119.5(6) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C7 C12 C11 123.0(6) . . ?
C7 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
O1 C13 O2 121.7(5) . . ?
O1 C13 C1 120.8(5) . . ?
O2 C13 C1 117.5(5) . . ?
O1 C13 Tb1 71.2(3) . . ?
O2 C13 Tb1 50.7(3) . . ?
C1 C13 Tb1 167.3(4) . . ?
O4 C14 O3 123.8(5) . . ?
O4 C14 C3 117.9(5) . . ?
O3 C14 C3 118.2(5) . . ?
O4 C14 Eu2 32.8(3) . 2_484 ?
O3 C14 Eu2 91.1(3) . 2_484 ?
C3 C14 Eu2 150.3(4) . 2_484 ?
O5 C15 O6 120.9(6) . . ?
O5 C15 C10 119.0(6) . . ?
O6 C15 C10 120.1(6) . . ?
O5 C15 Tb3 60.3(3) . . ?
O6 C15 Tb3 60.8(3) . . ?
C10 C15 Tb3 175.1(4) . . ?
C21 C16 C17 118.7(5) . . ?
C21 C16 C28 120.8(5) . . ?
C17 C16 C28 120.5(5) . . ?
C18 C17 C16 120.9(5) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C17 C18 C19 118.6(6) . . ?
C17 C18 C29 121.4(5) . . ?
C19 C18 C29 119.8(5) . . ?
C18 C19 C20 121.5(6) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C21 C20 C19 117.9(5) . . ?
C21 C20 C22 121.9(6) . . ?
C19 C20 C22 120.0(5) . . ?
C20 C21 C16 122.4(6) . . ?
C20 C21 H21 118.8 . . ?
C16 C21 H21 118.8 . . ?
C27 C22 C23 117.7(6) . . ?
C27 C22 C20 121.7(6) . . ?
C23 C22 C20 120.5(6) . . ?
C22 C23 C24 121.1(6) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C25 C24 C23 120.8(7) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C24 118.3(6) . . ?
C26 C25 C30 121.3(6) . . ?
C24 C25 C30 120.3(6) . . ?
C25 C26 C27 120.7(6) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C22 C27 C26 121.2(7) . . ?
C22 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
O7 C28 O8 120.9(5) . . ?
O7 C28 C16 119.6(5) . . ?
O8 C28 C16 119.5(5) . . ?
O7 C28 Tb2 61.0(3) . . ?
O8 C28 Tb2 60.1(3) . . ?
C16 C28 Tb2 172.7(4) . . ?
O10 C29 O9 127.1(5) . . ?
O10 C29 C18 116.6(5) . . ?
O9 C29 C18 116.3(5) . . ?
O11 C30 O12 124.3(6) . . ?
O11 C30 C25 118.9(6) . . ?
O12 C30 C25 116.7(6) . . ?
C32 C31 C36 119.5(5) . . ?
C32 C31 C43 120.9(5) . . ?
C36 C31 C43 119.7(5) . . ?
C33 C32 C31 120.2(5) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C34 119.8(6) . . ?
C32 C33 C44 120.8(5) . . ?
C34 C33 C44 119.4(5) . . ?
C35 C34 C33 121.1(5) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C36 118.8(5) . . ?
C34 C35 C37 120.4(5) . . ?
C36 C35 C37 120.7(5) . . ?
C31 C36 C35 120.6(6) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C38 C37 C42 118.0(6) . . ?
C38 C37 C35 120.0(6) . . ?
C42 C37 C35 122.0(6) . . ?
C37 C38 C39 120.8(6) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C40 C39 C38 120.8(6) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C41 C40 C39 118.0(6) . . ?
C41 C40 C45 123.0(6) . . ?
C39 C40 C45 118.9(6) . . ?
C40 C41 C42 121.6(6) . . ?
C40 C41 H41 119.2 . . ?
C42 C41 H41 119.2 . . ?
C41 C42 C37 120.8(7) . . ?
C41 C42 H42 119.6 . . ?
C37 C42 H42 119.6 . . ?
O13 C43 O14 124.5(5) . . ?
O13 C43 C31 117.4(5) . . ?
O14 C43 C31 118.1(5) . . ?
O15 C44 O16 120.7(6) . . ?
O15 C44 C33 119.6(5) . . ?
O16 C44 C33 119.7(5) . . ?
O15 C44 Eu4 59.6(3) . 2_494 ?
O16 C44 Eu4 61.1(3) . 2_494 ?
C33 C44 Eu4 178.5(4) . 2_494 ?
O15 C44 Tb4 59.6(3) . 2_494 ?
O16 C44 Tb4 61.1(3) . 2_494 ?
C33 C44 Tb4 178.5(4) . 2_494 ?
Eu4 C44 Tb4 0.000(10) 2_494 2_494 ?
O18 C45 O17 125.0(6) . . ?
O18 C45 C40 118.1(6) . . ?
O17 C45 C40 116.8(6) . . ?
C47 C46 C51 119.1(5) . . ?
C47 C46 C58 119.4(5) . . ?
C51 C46 C58 121.4(5) . . ?
C46 C47 C48 120.4(5) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C49 C48 C47 119.5(5) . . ?
C49 C48 C59 121.0(5) . . ?
C47 C48 C59 119.5(5) . . ?
C48 C49 C50 121.5(5) . . ?
C48 C49 H49 119.2 . . ?
C50 C49 H49 119.2 . . ?
C51 C50 C49 118.5(5) . . ?
C51 C50 C52 120.1(5) . . ?
C49 C50 C52 121.3(5) . . ?
C50 C51 C46 120.8(5) . . ?
C50 C51 H51 119.6 . . ?
C46 C51 H51 119.6 . . ?
C53 C52 C57 117.4(6) . . ?
C53 C52 C50 122.5(6) . . ?
C57 C52 C50 120.1(5) . . ?
C52 C53 C54 122.1(6) . . ?
C52 C53 H53 118.9 . . ?
C54 C53 H53 118.9 . . ?
C53 C54 C55 120.5(6) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C56 C55 C54 118.2(6) . . ?
C56 C55 C60 120.1(6) . . ?
C54 C55 C60 121.7(6) . . ?
C55 C56 C57 120.9(6) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C56 C57 C52 120.8(6) . . ?
C56 C57 H57 119.6 . . ?
C52 C57 H57 119.6 . . ?
O19 C58 O20 124.2(6) . . ?
O19 C58 C46 119.2(5) . . ?
O20 C58 C46 116.6(5) . . ?
O21 C59 O22 125.0(5) . . ?
O21 C59 C48 117.4(5) . . ?
O22 C59 C48 117.6(5) . . ?
O21 C59 Eu3 85.4(3) . 1_556 ?
O22 C59 Eu3 41.1(3) . 1_556 ?
C48 C59 Eu3 154.0(4) . 1_556 ?
O24 C60 O23 122.4(6) . . ?
O24 C60 C55 119.0(6) . . ?
O23 C60 C55 118.6(6) . . ?
O24 C60 Tb1 60.9(3) . . ?
O23 C60 Tb1 61.7(3) . . ?
C55 C60 Tb1 176.5(5) . . ?
C61 N1 C62 125.7(15) . . ?
C61 N1 C63 111.4(14) . . ?
C62 N1 C63 121.6(15) . . ?
C64 N2 C66 118.5(10) . . ?
C64 N2 C65 119.8(9) . . ?
C66 N2 C65 121.6(10) . . ?
O27 C61 N1 128.9(17) . . ?
O27 C61 H61 115.5 . . ?
N1 C61 H61 115.5 . . ?
N1 C62 H62A 109.5 . . ?
N1 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
N1 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1 C63 H63A 109.5 . . ?
N1 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N1 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O30 C64 N2 123.4(10) . . ?
O30 C64 H64 118.3 . . ?
N2 C64 H64 118.3 . . ?
N2 C65 H65A 109.5 . . ?
N2 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N2 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N2 C66 H66A 109.5 . . ?
N2 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N2 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C67 N3 C69 123.0(8) . . ?
C67 N3 C68 117.4(8) . . ?
C69 N3 C68 119.5(9) . . ?
O35 C67 N3 122.8(9) . . ?
O35 C67 H67 118.6 . . ?
N3 C67 H67 118.6 . . ?
N3 C68 H68A 109.5 . . ?
N3 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N3 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N3 C69 H69A 109.5 . . ?
N3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 N4 C71 121.0(9) . . ?
C70 N4 C72 120.2(9) . . ?
C71 N4 C72 118.8(8) . . ?
O36 C70 N4 126.8(11) . . ?
O36 C70 H70 116.6 . . ?
N4 C70 H70 116.6 . . ?
N4 C71 H71A 109.5 . . ?
N4 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N4 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N4 C72 H72A 109.5 . . ?
N4 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N4 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 N5 C75 121.2(8) . . ?
C73 N5 C74 119.4(8) . . ?
C75 N5 C74 119.3(8) . . ?
O37 C73 N5 124.6(9) . . ?
O37 C73 H73 117.7 . . ?
N5 C73 H73 117.7 . . ?
N5 C74 H74A 109.5 . . ?
N5 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N5 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N5 C75 H75A 109.5 . . ?
N5 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
N5 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C76 N6 C77 127(2) . . ?
C76 N6 C78 92.9(19) . . ?
C77 N6 C78 140(2) . . ?
N6 C76 O38 105(2) . . ?
N6 C76 H76 127.7 . . ?
O38 C76 H76 127.7 . . ?
N6 C77 H77A 109.5 . . ?
N6 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
N6 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N6 C78 H78A 109.5 . . ?
N6 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
N6 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 N7 C79 116(2) . . ?
C80 N7 C81 128(2) . . ?
C79 N7 C81 114(2) . . ?
O39 C79 N7 117(2) . . ?
O39 C79 H79 121.5 . . ?
N7 C79 H79 121.5 . . ?
N7 C80 H80A 109.5 . . ?
N7 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
N7 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N7 C81 H81A 109.5 . . ?
N7 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N7 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O25 H25B O18 1.017(19) 1.679(18) 2.690(7) 172(4) 2_494
O26 H26A O36 1.029(18) 1.96(13) 2.757(8) 132(13) 2_585
O26 H26B O37 1.035(18) 2.28(15) 2.827(9) 111(11) 1_474
O28 H28A O8 0.982(18) 2.22(14) 2.892(6) 125(13) 2_484
O28 H28A O3 0.982(18) 2.59(7) 3.102(7) 113(5) 2_484
O28 H28B O18 0.982(18) 1.95(6) 2.704(7) 131(6) .
O29 H29A O37 1.014(19) 2.00(12) 2.842(8) 138(15) 2_575
O31 H31A O35 1.025(18) 1.90(11) 2.795(8) 145(15) 2_674
O31 H31B O11 1.020(18) 1.86(4) 2.852(7) 164(12) .
O32 H32B O2W 0.993(18) 2.27(11) 3.105(11) 141(13) 2_575
O33 H33A O11 1.01(2) 1.94(11) 2.663(7) 127(9) 2_584
O33 H33B O2W 1.00(2) 1.77(4) 2.755(10) 167(14) 2_575
O34 H34A O16 1.022(18) 1.95(12) 2.794(6) 138(14) 1_546
O34 H34B O35 1.020(18) 1.81(4) 2.816(8) 170(16) 1_465

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.914
_refine_diff_density_min         -1.194
_refine_diff_density_rms         0.136
