# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1045953'
_audit_update_record             
;
2015-01-28 deposited with the CCDC.
2015-05-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H25 N10 O20 Tb3'
_chemical_formula_weight         1610.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.1173(4)
_cell_length_b                   16.7483(8)
_cell_length_c                   16.9101(6)
_cell_angle_alpha                110.566(4)
_cell_angle_beta                 90.030(3)
_cell_angle_gamma                100.933(3)
_cell_volume                     3925.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9855
_cell_measurement_theta_min      3.6900
_cell_measurement_theta_max      73.1640

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_F_000             1548
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    13.593
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.31825
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.5594
_diffrn_reflns_number            30068
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.217
_diffrn_reflns_theta_max         73.653
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15327
_reflns_number_gt                11729
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.010 -0.005 -0.005 20799 6171 ' '
_platon_squeeze_details          ?

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1750P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15327
_refine_ls_number_parameters     769
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0922
_refine_ls_R_factor_gt           0.0813
_refine_ls_wR_factor_ref         0.2389
_refine_ls_wR_factor_gt          0.2268
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.56199(3) 0.12357(3) 0.52812(3) 0.02140(14) Uani 1 1 d . . . . .
Tb2 Tb 0.52200(3) 0.36574(3) 0.64743(3) 0.02221(15) Uani 1 1 d . . . . .
Tb3 Tb 0.45351(3) 0.47118(3) 0.88233(3) 0.02358(15) Uani 1 1 d . . . . .
O1 O -0.4566(4) -0.2171(4) 0.4644(4) 0.0244(11) Uani 1 1 d . . . . .
O2 O -0.3740(5) -0.3202(4) 0.4259(4) 0.0347(14) Uani 1 1 d . . . . .
O3 O 0.3109(4) -0.0670(4) 0.5400(4) 0.0290(12) Uani 1 1 d . . . . .
O4 O 0.4213(4) 0.0361(4) 0.5322(4) 0.0267(12) Uani 1 1 d . . . . .
O5 O 0.4336(4) 0.3360(4) 0.7528(4) 0.0257(12) Uani 1 1 d . . . . .
O6 O 0.3098(5) 0.3677(4) 0.8130(4) 0.0374(15) Uani 1 1 d . . . . .
O7 O 0.6330(4) 0.2278(4) 0.4737(4) 0.0291(12) Uani 1 1 d . . . . .
O8 O 0.5897(4) 0.3549(4) 0.5259(3) 0.0274(12) Uani 1 1 d . . . . .
O9 O 0.5226(5) 0.5086(4) 0.3441(4) 0.0341(14) Uani 1 1 d . . . . .
O10 O 0.5895(4) 0.4820(4) 0.2224(4) 0.0304(13) Uani 1 1 d . . . . .
O11 O 0.4905(4) -0.0616(4) -0.3836(3) 0.0256(11) Uani 1 1 d . . . . .
O12 O 0.5611(5) 0.0767(4) -0.3579(4) 0.0370(15) Uani 1 1 d . . . . .
O13 O 0.6757(5) 0.4467(4) 0.6913(4) 0.0328(14) Uani 1 1 d . . . . .
O14 O 0.5802(4) 0.4738(4) 0.7911(4) 0.0268(12) Uani 1 1 d . . . . .
O15 O 1.3278(4) 0.5380(4) 0.9413(4) 0.0282(12) Uani 1 1 d . . . . .
O16 O 1.4226(4) 0.5347(4) 1.0389(3) 0.0260(12) Uani 1 1 d . . . . .
O17 O 1.4123(4) 0.7437(3) 1.3364(4) 0.0247(11) Uani 1 1 d . . . . .
O18 O 1.2932(4) 0.8038(4) 1.3733(4) 0.0300(13) Uani 1 1 d . . . . .
O19 O 0.4238(5) 0.3468(5) 0.9272(5) 0.0415(16) Uani 1 1 d . . . . .
O20 O 0.4820(4) 0.3799(4) 1.0604(4) 0.0298(12) Uani 1 1 d . . . . .
N1 N 0.0131(5) 0.0155(5) 0.6205(5) 0.0389(19) Uani 1 1 d . . . . .
H1 H 0.0340 -0.0301 0.5886 0.047 Uiso 1 1 calc R U . . .
N2 N -0.0821(7) 0.0996(8) 0.6860(8) 0.069(4) Uani 1 1 d . . . . .
N3 N 0.0034(6) 0.1461(7) 0.7029(9) 0.069(4) Uani 1 1 d . . . . .
N4 N 0.5989(8) 0.1669(6) 0.0743(5) 0.049(2) Uani 1 1 d . . . . .
H4 H 0.5798 0.2086 0.0631 0.059 Uiso 1 1 calc R U . . .
N5 N 0.6409(9) 0.0447(7) 0.0591(7) 0.063(3) Uani 1 1 d . . . . .
N6 N 0.6490(9) 0.0937(7) 0.1441(6) 0.061(3) Uani 1 1 d . . . . .
N7 N 1.0310(6) 0.6227(6) 1.0225(5) 0.040(2) Uani 1 1 d . . . . .
H7 H 1.0518 0.5865 0.9785 0.048 Uiso 1 1 calc R U . . .
N8 N 1.0185(7) 0.7116(9) 1.1497(7) 0.078(5) Uani 1 1 d . . . . .
N9 N 0.9384(8) 0.6969(9) 1.1038(7) 0.078(4) Uani 1 1 d . . . . .
N10 N 0.151(2) 0.480(2) 0.819(2) 0.168(11) Uiso 1 1 d . . . . .
C1 C -0.3796(6) -0.2436(6) 0.4691(5) 0.0290(17) Uani 1 1 d . . . . .
C2 C -0.3017(7) -0.1803(6) 0.5196(6) 0.0344(19) Uani 1 1 d . . . . .
C3 C -0.2135(6) -0.1948(7) 0.5047(7) 0.040(2) Uani 1 1 d . . . . .
H3 H -0.2051 -0.2496 0.4667 0.048 Uiso 1 1 calc R U . . .
C4 C -0.1395(7) -0.1311(7) 0.5441(7) 0.044(2) Uani 1 1 d . . . . .
H4A H -0.0804 -0.1420 0.5333 0.053 Uiso 1 1 calc R U . . .
C5 C -0.1508(7) -0.0512(7) 0.5995(7) 0.044(2) Uani 1 1 d . . . . .
C6 C -0.2364(7) -0.0358(7) 0.6196(7) 0.043(2) Uani 1 1 d . . . . .
H6 H -0.2440 0.0182 0.6600 0.051 Uiso 1 1 calc R U . . .
C7 C -0.3114(7) -0.1012(6) 0.5793(6) 0.035(2) Uani 1 1 d . . . . .
H7A H -0.3703 -0.0913 0.5930 0.042 Uiso 1 1 calc R U . . .
C8 C -0.0739(7) 0.0214(7) 0.6354(7) 0.045(3) Uani 1 1 d . . . . .
C9 C 0.0596(8) 0.0945(7) 0.6651(8) 0.049(3) Uani 1 1 d . . . . .
C10 C 0.1600(6) 0.1214(6) 0.6668(6) 0.033(2) Uani 1 1 d . . . . .
C11 C 0.2064(6) 0.0588(6) 0.6173(6) 0.0337(19) Uani 1 1 d . . . . .
H11 H 0.1740 0.0024 0.5839 0.040 Uiso 1 1 calc R U . . .
C12 C 0.2986(7) 0.0786(6) 0.6168(5) 0.0313(18) Uani 1 1 d . . . . .
C13 C 0.3463(6) 0.0116(5) 0.5601(5) 0.0293(18) Uani 1 1 d . . . . .
C14 C 0.3476(6) 0.1617(5) 0.6646(6) 0.0289(17) Uani 1 1 d . . . . .
H14 H 0.4116 0.1753 0.6650 0.035 Uiso 1 1 calc R U . . .
C15 C 0.2988(6) 0.2256(6) 0.7129(6) 0.0322(19) Uani 1 1 d . . . . .
C16 C 0.3509(6) 0.3151(5) 0.7621(5) 0.0272(17) Uani 1 1 d . . . . .
C17 C 0.2068(6) 0.2052(6) 0.7138(6) 0.036(2) Uani 1 1 d . . . . .
H17 H 0.1750 0.2481 0.7462 0.044 Uiso 1 1 calc R U . . .
C18 C 0.6109(6) 0.2931(5) 0.4655(4) 0.0255(16) Uani 1 1 d . . . . .
C19 C 0.6109(6) 0.3020(5) 0.3808(5) 0.0275(17) Uani 1 1 d . . . . .
C20 C 0.6225(7) 0.2318(6) 0.3084(5) 0.033(2) Uani 1 1 d . . . . .
H20 H 0.6341 0.1799 0.3133 0.040 Uiso 1 1 calc R U . . .
C21 C 0.6165(7) 0.2396(6) 0.2293(5) 0.035(2) Uani 1 1 d . . . . .
C22 C 0.6241(9) 0.1661(7) 0.1511(6) 0.046(3) Uani 1 1 d . . . . .
C23 C 0.6008(7) 0.3162(6) 0.2226(5) 0.0328(19) Uani 1 1 d . . . . .
H23 H 0.5999 0.3219 0.1687 0.039 Uiso 1 1 calc R U . . .
C24 C 0.5863(7) 0.3844(6) 0.2936(5) 0.0301(18) Uani 1 1 d . . . . .
C25 C 0.5635(6) 0.4643(5) 0.2864(5) 0.0288(17) Uani 1 1 d . . . . .
C26 C 0.5907(6) 0.3754(5) 0.3731(5) 0.0243(16) Uani 1 1 d . . . . .
H26 H 0.5794 0.4209 0.4221 0.029 Uiso 1 1 calc R U . . .
C27 C 0.6099(9) 0.0891(7) 0.0188(6) 0.045(3) Uani 1 1 d . . . . .
C28 C 0.5891(8) 0.0668(8) -0.0717(6) 0.047(3) Uani 1 1 d . . . . .
C29 C 0.5786(10) -0.0174(7) -0.1289(7) 0.053(3) Uani 1 1 d . . . . .
H29 H 0.5871 -0.0626 -0.1097 0.064 Uiso 1 1 calc R U . . .
C30 C 0.5561(9) -0.0368(6) -0.2134(6) 0.046(3) Uani 1 1 d . . . . .
H30 H 0.5435 -0.0957 -0.2511 0.055 Uiso 1 1 calc R U . . .
C31 C 0.5517(7) 0.0297(7) -0.2441(6) 0.039(2) Uani 1 1 d . . . . .
C32 C 0.5323(7) 0.0138(5) -0.3352(5) 0.0289(18) Uani 1 1 d . . . . .
C33 C 0.5644(11) 0.1136(8) -0.1870(8) 0.062(4) Uani 1 1 d . . . . .
H33 H 0.5623 0.1599 -0.2067 0.075 Uiso 1 1 calc R U . . .
C34 C 0.5800(13) 0.1319(8) -0.1016(8) 0.074(5) Uani 1 1 d . . . . .
H34 H 0.5845 0.1898 -0.0629 0.089 Uiso 1 1 calc R U . . .
C35 C 0.6619(6) 0.4837(6) 0.7662(5) 0.0269(16) Uani 1 1 d . . . . .
C36 C 0.7408(6) 0.5348(6) 0.8312(5) 0.0305(18) Uani 1 1 d . . . . .
C37 C 0.8274(7) 0.5216(7) 0.8125(6) 0.039(2) Uani 1 1 d . . . . .
H37 H 0.8391 0.4879 0.7568 0.046 Uiso 1 1 calc R U . . .
C38 C 0.8964(8) 0.5581(7) 0.8762(7) 0.043(2) Uani 1 1 d . . . . .
H38 H 0.9558 0.5488 0.8640 0.052 Uiso 1 1 calc R U . . .
C39 C 0.8798(7) 0.6087(7) 0.9582(6) 0.040(2) Uani 1 1 d . . . . .
C40 C 0.7930(7) 0.6258(6) 0.9751(6) 0.036(2) Uani 1 1 d . . . . .
H40 H 0.7819 0.6627 1.0297 0.044 Uiso 1 1 calc R U . . .
C41 C 0.7231(7) 0.5883(6) 0.9113(6) 0.0340(19) Uani 1 1 d . . . . .
H41 H 0.6641 0.5991 0.9223 0.041 Uiso 1 1 calc R U . . .
C42 C 0.9522(9) 0.6429(8) 1.0268(7) 0.051(3) Uani 1 1 d . . . . .
C43 C 1.0755(7) 0.6694(8) 1.1005(7) 0.045(3) Uani 1 1 d . . . . .
C44 C 1.1668(7) 0.6673(6) 1.1251(6) 0.035(2) Uani 1 1 d . . . . .
C45 C 1.2169(6) 0.6193(6) 1.0639(5) 0.0310(18) Uani 1 1 d . . . . .
H45 H 1.1908 0.5876 1.0079 0.037 Uiso 1 1 calc R U . . .
C46 C 1.3058(6) 0.6181(6) 1.0854(5) 0.0263(16) Uani 1 1 d . . . . .
C47 C 1.3526(6) 0.5605(6) 1.0182(5) 0.0278(17) Uani 1 1 d . . . . .
C48 C 1.3444(5) 0.6637(5) 1.1662(5) 0.0232(15) Uani 1 1 d . . . . .
H48 H 1.4056 0.6641 1.1795 0.028 Uiso 1 1 calc R U . . .
C49 C 1.2930(6) 0.7101(5) 1.2294(5) 0.0255(16) Uani 1 1 d . . . . .
C50 C 1.3336(6) 0.7563(5) 1.3173(5) 0.0283(17) Uani 1 1 d . . . . .
C51 C 1.2048(7) 0.7130(6) 1.2075(6) 0.035(2) Uani 1 1 d . . . . .
H51 H 1.1707 0.7462 1.2490 0.042 Uiso 1 1 calc R U . . .
C52 C 0.4482(7) 0.3272(6) 0.9870(6) 0.037(2) Uani 1 1 d . . . . .
H52 H 0.4411 0.2668 0.9772 0.045 Uiso 1 1 calc R U . . .
C53 C 0.1231(16) 0.4428(16) 0.7407(16) 0.104(6) Uiso 1 1 d . . . . .
C54 C 0.0888(16) 0.5069(16) 0.8818(16) 0.103(6) Uiso 1 1 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 O12 2.321(6) 1_556 ?
Tb1 O7 2.338(6) . ?
Tb1 O4 2.359(6) . ?
Tb1 O11 2.363(5) 2_655 ?
Tb1 O1 2.412(5) 2_556 ?
Tb1 O3 2.418(6) 2_656 ?
Tb1 O17 2.536(5) 2_767 ?
Tb1 O4 2.568(5) 2_656 ?
Tb1 O18 2.571(6) 2_767 ?
Tb1 C13 2.844(8) 2_656 ?
Tb1 C50 2.911(8) 2_767 ?
Tb1 Tb1 3.9801(9) 2_656 ?
Tb2 O8 2.262(5) . ?
Tb2 O9 2.288(6) 2_666 ?
Tb2 O17 2.337(5) 2_767 ?
Tb2 O5 2.364(5) . ?
Tb2 O2 2.411(7) 2_556 ?
Tb2 O13 2.426(7) . ?
Tb2 O14 2.502(6) . ?
Tb2 O1 2.551(6) 2_556 ?
Tb2 C35 2.834(8) . ?
Tb2 C1 2.863(9) 2_556 ?
Tb2 Tb3 3.9671(6) . ?
Tb3 O10 2.312(6) 2_666 ?
Tb3 O16 2.335(6) 2_767 ?
Tb3 O20 2.343(6) 2_667 ?
Tb3 O19 2.424(7) . ?
Tb3 O15 2.426(6) 1_455 ?
Tb3 O14 2.463(6) . ?
Tb3 O6 2.497(7) . ?
Tb3 O5 2.504(6) . ?
Tb3 O16 2.564(5) 1_455 ?
Tb3 C16 2.845(9) . ?
Tb3 C47 2.880(8) 1_455 ?
Tb3 Tb3 3.9403(9) 2_667 ?
O1 C1 1.333(10) . ?
O1 Tb1 2.412(5) 2_556 ?
O1 Tb2 2.551(6) 2_556 ?
O2 C1 1.254(11) . ?
O2 Tb2 2.411(7) 2_556 ?
O3 C13 1.246(10) . ?
O3 Tb1 2.418(6) 2_656 ?
O4 C13 1.279(11) . ?
O4 Tb1 2.568(5) 2_656 ?
O5 C16 1.257(11) . ?
O6 C16 1.256(10) . ?
O7 C18 1.254(10) . ?
O8 C18 1.265(9) . ?
O9 C25 1.245(11) . ?
O9 Tb2 2.288(6) 2_666 ?
O10 C25 1.263(11) . ?
O10 Tb3 2.312(6) 2_666 ?
O11 C32 1.279(10) . ?
O11 Tb1 2.363(5) 2_655 ?
O12 C32 1.248(11) . ?
O12 Tb1 2.321(6) 1_554 ?
O13 C35 1.237(10) . ?
O14 C35 1.305(11) . ?
O15 C47 1.254(10) . ?
O15 Tb3 2.426(6) 1_655 ?
O16 C47 1.307(10) . ?
O16 Tb3 2.335(6) 2_767 ?
O16 Tb3 2.564(5) 1_655 ?
O17 C50 1.308(10) . ?
O17 Tb2 2.337(5) 2_767 ?
O17 Tb1 2.536(5) 2_767 ?
O18 C50 1.247(11) . ?
O18 Tb1 2.571(6) 2_767 ?
O19 C52 1.243(14) . ?
O20 C52 1.281(12) . ?
O20 Tb3 2.343(6) 2_667 ?
N1 C9 1.327(14) . ?
N1 C8 1.355(13) . ?
N2 C8 1.319(15) . ?
N2 N3 1.349(15) . ?
N3 C9 1.331(13) . ?
N4 C27 1.353(13) . ?
N4 C22 1.359(14) . ?
N5 C27 1.313(16) . ?
N5 N6 1.374(13) . ?
N6 C22 1.302(13) . ?
N7 C42 1.295(14) . ?
N7 C43 1.371(12) . ?
N8 C43 1.324(13) . ?
N8 N9 1.372(14) . ?
N9 C42 1.342(13) . ?
N10 C53 1.27(4) . ?
N10 C54 1.43(4) . ?
C1 C2 1.460(13) . ?
C1 Tb2 2.863(9) 2_556 ?
C2 C7 1.389(13) . ?
C2 C3 1.407(13) . ?
C3 C4 1.372(15) . ?
C4 C5 1.380(14) . ?
C5 C6 1.387(14) . ?
C5 C8 1.463(15) . ?
C6 C7 1.398(14) . ?
C9 C10 1.496(14) . ?
C10 C17 1.393(12) . ?
C10 C11 1.398(11) . ?
C11 C12 1.370(14) . ?
C12 C14 1.399(12) . ?
C12 C13 1.501(11) . ?
C13 Tb1 2.844(8) 2_656 ?
C14 C15 1.430(11) . ?
C15 C17 1.368(14) . ?
C15 C16 1.496(12) . ?
C18 C19 1.491(11) . ?
C19 C26 1.371(11) . ?
C19 C20 1.407(11) . ?
C20 C21 1.394(12) . ?
C21 C23 1.389(12) . ?
C21 C22 1.480(12) . ?
C23 C24 1.388(12) . ?
C24 C26 1.406(11) . ?
C24 C25 1.489(11) . ?
C27 C28 1.461(14) . ?
C28 C29 1.381(15) . ?
C28 C34 1.381(17) . ?
C29 C30 1.377(15) . ?
C30 C31 1.394(15) . ?
C31 C33 1.375(16) . ?
C31 C32 1.488(12) . ?
C33 C34 1.377(17) . ?
C35 C36 1.521(12) . ?
C36 C37 1.388(14) . ?
C36 C41 1.396(12) . ?
C37 C38 1.385(15) . ?
C38 C39 1.401(13) . ?
C39 C40 1.403(13) . ?
C39 C42 1.470(15) . ?
C40 C41 1.394(14) . ?
C43 C44 1.450(13) . ?
C44 C51 1.393(13) . ?
C44 C45 1.392(11) . ?
C45 C46 1.398(12) . ?
C46 C48 1.374(11) . ?
C46 C47 1.488(11) . ?
C47 Tb3 2.880(8) 1_655 ?
C48 C49 1.414(10) . ?
C49 C51 1.398(12) . ?
C49 C50 1.482(11) . ?
C50 Tb1 2.911(8) 2_767 ?

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
O12 Tb1 O7 144.7(2) 1_556 . ?
O12 Tb1 O4 68.5(2) 1_556 . ?
O7 Tb1 O4 143.3(2) . . ?
O12 Tb1 O11 136.5(2) 1_556 2_655 ?
O7 Tb1 O11 77.2(2) . 2_655 ?
O4 Tb1 O11 77.9(2) . 2_655 ?
O12 Tb1 O1 113.4(2) 1_556 2_556 ?
O7 Tb1 O1 74.1(2) . 2_556 ?
O4 Tb1 O1 76.6(2) . 2_556 ?
O11 Tb1 O1 83.54(19) 2_655 2_556 ?
O12 Tb1 O3 99.2(2) 1_556 2_656 ?
O7 Tb1 O3 75.4(2) . 2_656 ?
O4 Tb1 O3 124.11(19) . 2_656 ?
O11 Tb1 O3 77.1(2) 2_655 2_656 ?
O1 Tb1 O3 146.7(2) 2_556 2_656 ?
O12 Tb1 O17 71.6(2) 1_556 2_767 ?
O7 Tb1 O17 81.06(19) . 2_767 ?
O4 Tb1 O17 107.4(2) . 2_767 ?
O11 Tb1 O17 147.55(18) 2_655 2_767 ?
O1 Tb1 O17 67.38(19) 2_556 2_767 ?
O3 Tb1 O17 120.2(2) 2_656 2_767 ?
O12 Tb1 O4 73.6(2) 1_556 2_656 ?
O7 Tb1 O4 122.62(19) . 2_656 ?
O4 Tb1 O4 72.3(2) . 2_656 ?
O11 Tb1 O4 70.3(2) 2_655 2_656 ?
O1 Tb1 O4 142.7(2) 2_556 2_656 ?
O3 Tb1 O4 52.32(19) 2_656 2_656 ?
O17 Tb1 O4 142.16(19) 2_767 2_656 ?
O12 Tb1 O18 68.5(2) 1_556 2_767 ?
O7 Tb1 O18 77.1(2) . 2_767 ?
O4 Tb1 O18 136.4(2) . 2_767 ?
O11 Tb1 O18 142.3(2) 2_655 2_767 ?
O1 Tb1 O18 115.01(19) 2_556 2_767 ?
O3 Tb1 O18 70.0(2) 2_656 2_767 ?
O17 Tb1 O18 51.29(18) 2_767 2_767 ?
O4 Tb1 O18 101.78(19) 2_656 2_767 ?
O12 Tb1 C13 88.2(2) 1_556 2_656 ?
O7 Tb1 C13 97.8(2) . 2_656 ?
O4 Tb1 C13 98.4(2) . 2_656 ?
O11 Tb1 C13 69.6(2) 2_655 2_656 ?
O1 Tb1 C13 153.1(2) 2_556 2_656 ?
O3 Tb1 C13 25.8(2) 2_656 2_656 ?
O17 Tb1 C13 137.8(2) 2_767 2_656 ?
O4 Tb1 C13 26.7(2) 2_656 2_656 ?
O18 Tb1 C13 87.1(2) 2_767 2_656 ?
O12 Tb1 C50 63.3(2) 1_556 2_767 ?
O7 Tb1 C50 82.3(2) . 2_767 ?
O4 Tb1 C50 121.4(2) . 2_767 ?
O11 Tb1 C50 159.3(2) 2_655 2_767 ?
O1 Tb1 C50 93.4(2) 2_556 2_767 ?
O3 Tb1 C50 95.3(2) 2_656 2_767 ?
O17 Tb1 C50 26.7(2) 2_767 2_767 ?
O4 Tb1 C50 120.3(2) 2_656 2_767 ?
O18 Tb1 C50 25.3(2) 2_767 2_767 ?
C13 Tb1 C50 111.1(3) 2_656 2_767 ?
O12 Tb1 Tb1 66.44(16) 1_556 2_656 ?
O7 Tb1 Tb1 145.36(14) . 2_656 ?
O4 Tb1 Tb1 37.94(13) . 2_656 ?
O11 Tb1 Tb1 70.03(14) 2_655 2_656 ?
O1 Tb1 Tb1 112.07(14) 2_556 2_656 ?
O3 Tb1 Tb1 86.44(14) 2_656 2_656 ?
O17 Tb1 Tb1 133.40(14) 2_767 2_656 ?
O4 Tb1 Tb1 34.38(13) 2_656 2_656 ?
O18 Tb1 Tb1 124.12(14) 2_767 2_656 ?
C13 Tb1 Tb1 60.66(18) 2_656 2_656 ?
C50 Tb1 Tb1 129.32(18) 2_767 2_656 ?
O8 Tb2 O9 93.0(2) . 2_666 ?
O8 Tb2 O17 91.4(2) . 2_767 ?
O9 Tb2 O17 168.0(2) 2_666 2_767 ?
O8 Tb2 O5 164.0(2) . . ?
O9 Tb2 O5 97.6(2) 2_666 . ?
O17 Tb2 O5 80.7(2) 2_767 . ?
O8 Tb2 O2 91.7(2) . 2_556 ?
O9 Tb2 O2 74.5(2) 2_666 2_556 ?
O17 Tb2 O2 116.6(2) 2_767 2_556 ?
O5 Tb2 O2 79.7(2) . 2_556 ?
O8 Tb2 O13 74.6(2) . . ?
O9 Tb2 O13 89.8(2) 2_666 . ?
O17 Tb2 O13 80.6(2) 2_767 . ?
O5 Tb2 O13 117.2(2) . . ?
O2 Tb2 O13 158.7(2) 2_556 . ?
O8 Tb2 O14 125.5(2) . . ?
O9 Tb2 O14 74.2(2) 2_666 . ?
O17 Tb2 O14 94.16(19) 2_767 . ?
O5 Tb2 O14 69.3(2) . . ?
O2 Tb2 O14 131.9(2) 2_556 . ?
O13 Tb2 O14 53.09(18) . . ?
O8 Tb2 O1 71.2(2) . 2_556 ?
O9 Tb2 O1 123.8(2) 2_666 2_556 ?
O17 Tb2 O1 68.21(18) 2_767 2_556 ?
O5 Tb2 O1 92.90(19) . 2_556 ?
O2 Tb2 O1 53.45(18) 2_556 2_556 ?
O13 Tb2 O1 132.39(17) . 2_556 ?
O14 Tb2 O1 157.26(19) . 2_556 ?
O8 Tb2 C35 99.7(2) . . ?
O9 Tb2 C35 82.5(2) 2_666 . ?
O17 Tb2 C35 85.7(2) 2_767 . ?
O5 Tb2 C35 93.6(2) . . ?
O2 Tb2 C35 154.8(2) 2_556 . ?
O13 Tb2 C35 25.7(2) . . ?
O14 Tb2 C35 27.4(2) . . ?
O1 Tb2 C35 151.7(2) 2_556 . ?
O8 Tb2 C1 81.7(2) . 2_556 ?
O9 Tb2 C1 98.6(2) 2_666 2_556 ?
O17 Tb2 C1 93.1(2) 2_767 2_556 ?
O5 Tb2 C1 84.9(2) . 2_556 ?
O2 Tb2 C1 25.7(2) 2_556 2_556 ?
O13 Tb2 C1 155.3(2) . 2_556 ?
O14 Tb2 C1 151.6(2) . 2_556 ?
O1 Tb2 C1 27.8(2) 2_556 2_556 ?
C35 Tb2 C1 178.2(2) . 2_556 ?
O8 Tb2 Tb3 159.38(15) . . ?
O9 Tb2 Tb3 73.38(15) 2_666 . ?
O17 Tb2 Tb3 99.23(14) 2_767 . ?
O5 Tb2 Tb3 36.61(14) . . ?
O2 Tb2 Tb3 99.14(16) 2_556 . ?
O13 Tb2 Tb3 89.61(13) . . ?
O14 Tb2 Tb3 36.63(14) . . ?
O1 Tb2 Tb3 129.19(13) 2_556 . ?
C35 Tb2 Tb3 63.89(17) . . ?
C1 Tb2 Tb3 115.07(18) 2_556 . ?
O8 Tb2 Tb1 68.95(14) . . ?
O9 Tb2 Tb1 154.81(15) 2_666 . ?
O17 Tb2 Tb1 36.31(13) 2_767 . ?
O5 Tb2 Tb1 97.08(13) . . ?
O2 Tb2 Tb1 88.22(14) 2_556 . ?
O13 Tb2 Tb1 101.51(14) . . ?
O14 Tb2 Tb1 130.36(14) . . ?
O1 Tb2 Tb1 34.97(11) 2_556 . ?
C35 Tb2 Tb1 116.79(17) . . ?
C1 Tb2 Tb1 62.53(17) 2_556 . ?
Tb3 Tb2 Tb1 128.470(15) . . ?
O10 Tb3 O16 144.1(2) 2_666 2_767 ?
O10 Tb3 O20 78.7(2) 2_666 2_667 ?
O16 Tb3 O20 80.9(2) 2_767 2_667 ?
O10 Tb3 O19 141.5(2) 2_666 . ?
O16 Tb3 O19 68.1(2) 2_767 . ?
O20 Tb3 O19 138.6(2) 2_667 . ?
O10 Tb3 O15 77.8(2) 2_666 1_455 ?
O16 Tb3 O15 125.18(19) 2_767 1_455 ?
O20 Tb3 O15 76.3(2) 2_667 1_455 ?
O19 Tb3 O15 99.3(2) . 1_455 ?
O10 Tb3 O14 72.7(2) 2_666 . ?
O16 Tb3 O14 75.12(19) 2_767 . ?
O20 Tb3 O14 81.0(2) 2_667 . ?
O19 Tb3 O14 114.8(2) . . ?
O15 Tb3 O14 145.6(2) 1_455 . ?
O10 Tb3 O6 75.1(2) 2_666 . ?
O16 Tb3 O6 134.8(2) 2_767 . ?
O20 Tb3 O6 141.9(2) 2_667 . ?
O19 Tb3 O6 67.7(2) . . ?
O15 Tb3 O6 71.5(2) 1_455 . ?
O14 Tb3 O6 116.1(2) . . ?
O10 Tb3 O5 77.5(2) 2_666 . ?
O16 Tb3 O5 104.59(19) 2_767 . ?
O20 Tb3 O5 145.1(2) 2_667 . ?
O19 Tb3 O5 72.0(2) . . ?
O15 Tb3 O5 122.3(2) 1_455 . ?
O14 Tb3 O5 67.75(19) . . ?
O6 Tb3 O5 52.1(2) . . ?
O10 Tb3 O16 125.21(19) 2_666 1_455 ?
O16 Tb3 O16 73.0(2) 2_767 1_455 ?
O20 Tb3 O16 69.5(2) 2_667 1_455 ?
O19 Tb3 O16 75.4(2) . 1_455 ?
O15 Tb3 O16 52.42(18) 1_455 1_455 ?
O14 Tb3 O16 139.2(2) . 1_455 ?
O6 Tb3 O16 104.4(2) . 1_455 ?
O5 Tb3 O16 145.36(19) . 1_455 ?
O10 Tb3 C16 77.7(2) 2_666 . ?
O16 Tb3 C16 119.8(2) 2_767 . ?
O20 Tb3 C16 156.4(2) 2_667 . ?
O19 Tb3 C16 64.5(3) . . ?
O15 Tb3 C16 97.5(2) 1_455 . ?
O14 Tb3 C16 93.0(2) . . ?
O6 Tb3 C16 26.2(2) . . ?
O5 Tb3 C16 26.2(2) . . ?
O16 Tb3 C16 124.8(2) 1_455 . ?
O10 Tb3 C47 100.3(2) 2_666 1_455 ?
O16 Tb3 C47 99.6(2) 2_767 1_455 ?
O20 Tb3 C47 69.3(2) 2_667 1_455 ?
O19 Tb3 C47 89.0(2) . 1_455 ?
O15 Tb3 C47 25.6(2) 1_455 1_455 ?
O14 Tb3 C47 150.2(2) . 1_455 ?
O6 Tb3 C47 88.7(2) . 1_455 ?
O5 Tb3 C47 140.3(2) . 1_455 ?
O16 Tb3 C47 27.0(2) 1_455 1_455 ?
C16 Tb3 C47 114.1(3) . 1_455 ?
O10 Tb3 Tb3 148.78(15) 2_666 2_667 ?
O16 Tb3 Tb3 38.47(13) 2_767 2_667 ?
O20 Tb3 Tb3 71.25(16) 2_667 2_667 ?
O19 Tb3 Tb3 67.38(18) . 2_667 ?
O15 Tb3 Tb3 86.83(14) 1_455 2_667 ?
O14 Tb3 Tb3 109.91(13) . 2_667 ?
O6 Tb3 Tb3 125.43(17) . 2_667 ?
O5 Tb3 Tb3 133.20(13) . 2_667 ?
O16 Tb3 Tb3 34.52(12) 1_455 2_667 ?
C16 Tb3 Tb3 131.74(18) . 2_667 ?
C47 Tb3 Tb3 61.28(17) 1_455 2_667 ?
C1 O1 Tb1 161.1(5) . 2_556 ?
C1 O1 Tb2 89.3(4) . 2_556 ?
Tb1 O1 Tb2 107.7(2) 2_556 2_556 ?
C1 O2 Tb2 97.7(5) . 2_556 ?
C13 O3 Tb1 96.6(5) . 2_656 ?
C13 O4 Tb1 159.1(5) . . ?
C13 O4 Tb1 88.8(4) . 2_656 ?
Tb1 O4 Tb1 107.7(2) . 2_656 ?
C16 O5 Tb2 136.8(5) . . ?
C16 O5 Tb3 92.2(4) . . ?
Tb2 O5 Tb3 109.1(2) . . ?
C16 O6 Tb3 92.6(6) . . ?
C18 O7 Tb1 133.2(6) . . ?
C18 O8 Tb2 134.8(5) . . ?
C25 O9 Tb2 126.6(6) . 2_666 ?
C25 O10 Tb3 143.7(6) . 2_666 ?
C32 O11 Tb1 134.4(5) . 2_655 ?
C32 O12 Tb1 143.4(6) . 1_554 ?
C35 O13 Tb2 95.9(5) . . ?
C35 O14 Tb3 161.7(5) . . ?
C35 O14 Tb2 90.6(5) . . ?
Tb3 O14 Tb2 106.1(2) . . ?
C47 O15 Tb3 97.9(5) . 1_655 ?
C47 O16 Tb3 160.6(5) . 2_767 ?
C47 O16 Tb3 90.1(4) . 1_655 ?
Tb3 O16 Tb3 107.0(2) 2_767 1_655 ?
C50 O17 Tb2 140.0(5) . 2_767 ?
C50 O17 Tb1 92.8(4) . 2_767 ?
Tb2 O17 Tb1 110.6(2) 2_767 2_767 ?
C50 O18 Tb1 92.7(5) . 2_767 ?
C52 O19 Tb3 137.8(7) . . ?
C52 O20 Tb3 134.6(6) . 2_667 ?
C9 N1 C8 103.8(8) . . ?
C8 N2 N3 104.2(9) . . ?
C9 N3 N2 109.2(9) . . ?
C27 N4 C22 104.2(9) . . ?
C27 N5 N6 107.7(9) . . ?
C22 N6 N5 106.4(9) . . ?
C42 N7 C43 105.8(8) . . ?
C43 N8 N9 109.7(9) . . ?
C42 N9 N8 103.3(9) . . ?
C53 N10 C54 121(3) . . ?
O2 C1 O1 119.5(8) . . ?
O2 C1 C2 121.5(8) . . ?
O1 C1 C2 118.8(7) . . ?
O2 C1 Tb2 56.5(5) . 2_556 ?
O1 C1 Tb2 63.0(4) . 2_556 ?
C2 C1 Tb2 173.1(6) . 2_556 ?
C7 C2 C3 117.8(9) . . ?
C7 C2 C1 121.3(9) . . ?
C3 C2 C1 120.8(8) . . ?
C4 C3 C2 121.1(9) . . ?
C3 C4 C5 120.0(9) . . ?
C4 C5 C6 120.7(10) . . ?
C4 C5 C8 121.5(9) . . ?
C6 C5 C8 117.7(9) . . ?
C5 C6 C7 118.7(9) . . ?
C2 C7 C6 121.4(9) . . ?
N2 C8 N1 112.9(10) . . ?
N2 C8 C5 123.3(10) . . ?
N1 C8 C5 123.8(9) . . ?
N1 C9 N3 110.0(10) . . ?
N1 C9 C10 124.0(8) . . ?
N3 C9 C10 125.9(10) . . ?
C17 C10 C11 120.2(8) . . ?
C17 C10 C9 122.6(8) . . ?
C11 C10 C9 117.2(8) . . ?
C12 C11 C10 120.3(8) . . ?
C11 C12 C14 120.8(8) . . ?
C11 C12 C13 119.2(8) . . ?
C14 C12 C13 119.9(8) . . ?
O3 C13 O4 121.5(7) . . ?
O3 C13 C12 118.9(8) . . ?
O4 C13 C12 119.6(7) . . ?
O3 C13 Tb1 57.6(4) . 2_656 ?
O4 C13 Tb1 64.5(4) . 2_656 ?
C12 C13 Tb1 172.0(6) . 2_656 ?
C12 C14 C15 118.1(8) . . ?
C17 C15 C14 120.8(8) . . ?
C17 C15 C16 121.1(7) . . ?
C14 C15 C16 118.1(8) . . ?
O6 C16 O5 121.7(8) . . ?
O6 C16 C15 118.0(8) . . ?
O5 C16 C15 120.4(7) . . ?
O6 C16 Tb3 61.3(5) . . ?
O5 C16 Tb3 61.6(4) . . ?
C15 C16 Tb3 168.2(6) . . ?
C15 C17 C10 119.8(7) . . ?
O7 C18 O8 124.0(7) . . ?
O7 C18 C19 119.8(7) . . ?
O8 C18 C19 116.2(7) . . ?
C26 C19 C20 120.4(8) . . ?
C26 C19 C18 119.4(7) . . ?
C20 C19 C18 119.9(7) . . ?
C21 C20 C19 118.8(8) . . ?
C23 C21 C20 120.3(8) . . ?
C23 C21 C22 118.9(8) . . ?
C20 C21 C22 120.7(8) . . ?
N6 C22 N4 111.4(9) . . ?
N6 C22 C21 128.3(10) . . ?
N4 C22 C21 120.2(9) . . ?
C24 C23 C21 120.8(8) . . ?
C23 C24 C26 118.6(8) . . ?
C23 C24 C25 121.2(8) . . ?
C26 C24 C25 120.2(7) . . ?
O9 C25 O10 125.8(8) . . ?
O9 C25 C24 117.8(8) . . ?
O10 C25 C24 116.3(7) . . ?
C19 C26 C24 120.9(7) . . ?
N5 C27 N4 110.3(9) . . ?
N5 C27 C28 130.0(10) . . ?
N4 C27 C28 119.7(10) . . ?
C29 C28 C34 118.5(10) . . ?
C29 C28 C27 122.2(11) . . ?
C34 C28 C27 119.2(10) . . ?
C30 C29 C28 120.8(10) . . ?
C29 C30 C31 120.4(9) . . ?
C33 C31 C30 118.2(9) . . ?
C33 C31 C32 118.6(9) . . ?
C30 C31 C32 123.2(9) . . ?
O12 C32 O11 125.6(8) . . ?
O12 C32 C31 115.5(8) . . ?
O11 C32 C31 118.9(8) . . ?
C31 C33 C34 121.1(11) . . ?
C33 C34 C28 120.7(11) . . ?
O13 C35 O14 120.2(8) . . ?
O13 C35 C36 120.3(8) . . ?
O14 C35 C36 119.4(7) . . ?
O13 C35 Tb2 58.4(5) . . ?
O14 C35 Tb2 62.0(4) . . ?
C36 C35 Tb2 171.3(6) . . ?
C37 C36 C41 121.3(9) . . ?
C37 C36 C35 119.5(8) . . ?
C41 C36 C35 118.9(8) . . ?
C38 C37 C36 119.1(9) . . ?
C37 C38 C39 120.8(10) . . ?
C38 C39 C40 119.5(10) . . ?
C38 C39 C42 120.5(9) . . ?
C40 C39 C42 120.0(9) . . ?
C41 C40 C39 119.8(9) . . ?
C40 C41 C36 119.4(9) . . ?
N7 C42 N9 113.4(10) . . ?
N7 C42 C39 126.0(9) . . ?
N9 C42 C39 120.5(10) . . ?
N8 C43 N7 107.7(8) . . ?
N8 C43 C44 126.9(9) . . ?
N7 C43 C44 125.3(8) . . ?
C51 C44 C45 120.1(8) . . ?
C51 C44 C43 121.4(8) . . ?
C45 C44 C43 118.5(8) . . ?
C44 C45 C46 119.7(8) . . ?
C48 C46 C45 120.8(7) . . ?
C48 C46 C47 122.7(8) . . ?
C45 C46 C47 116.4(7) . . ?
O15 C47 O16 119.0(7) . . ?
O15 C47 C46 121.2(7) . . ?
O16 C47 C46 119.8(7) . . ?
O15 C47 Tb3 56.5(4) . 1_655 ?
O16 C47 Tb3 62.9(4) . 1_655 ?
C46 C47 Tb3 171.7(6) . 1_655 ?
C46 C48 C49 119.8(7) . . ?
C51 C49 C48 119.3(7) . . ?
C51 C49 C50 120.9(7) . . ?
C48 C49 C50 119.8(7) . . ?
O18 C50 O17 119.8(7) . . ?
O18 C50 C49 121.8(8) . . ?
O17 C50 C49 118.3(7) . . ?
O18 C50 Tb1 61.9(4) . 2_767 ?
O17 C50 Tb1 60.5(4) . 2_767 ?
C49 C50 Tb1 165.9(6) . 2_767 ?
C44 C51 C49 120.2(8) . . ?
O19 C52 O20 126.7(9) . . ?

_refine_diff_density_max         5.233
_refine_diff_density_min         -3.093
_refine_diff_density_rms         0.243

_shelxl_version_number           2013-2



