# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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data_f

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Tb-BCB
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_formula_moiety         'C33 H23.50 N O10.75 Tb'
_chemical_formula_sum            'C33 H23.50 N O10.75 Tb'
_chemical_formula_weight         764.95

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           Orthorhombic
_symmetry_space_group_name_H-M   Fdd2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'

_cell_length_a                   8.487(5)
_cell_length_b                   34.829(5)
_cell_length_c                   52.441(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     15501(10)
_cell_formula_units_Z            16
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    7310
_cell_measurement_theta_min      1.40
_cell_measurement_theta_max      26.02

_exptl_crystal_description       pillar
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6072
_exptl_absorpt_coefficient_mu    1.875
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7821
_exptl_absorpt_correction_T_max  0.8413
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71069
_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            20751
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_sigmaI/netI    0.1137
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_theta_min         1.40
_diffrn_reflns_theta_max         26.02
_reflns_number_total             7310
_reflns_number_gt                4782
_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)+(0.0848P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00023(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_number_reflns         7310
_refine_ls_number_parameters     417
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.1071
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1688
_refine_ls_wR_factor_gt          0.1413
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.013
_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 0.2500 0.2500 0.381316(11) 0.0258(3) Uani 1 2 d S . .
Tb2 Tb -0.2500 0.2500 0.355653(12) 0.0264(3) Uani 1 2 d S . .
O1 O 0.3065(11) 0.1649(3) 0.21505(17) 0.049(3) Uani 1 1 d . . .
O2 O 0.1896(14) 0.2121(3) 0.3445(2) 0.036(3) Uani 1 1 d . . .
O3 O -0.0577(14) 0.2204(3) 0.3336(2) 0.045(3) Uani 1 1 d . . .
O4 O -0.1897(11) 0.2988(3) 0.22253(19) 0.045(2) Uani 1 1 d . . .
O5 O -0.3153(12) 0.4583(3) 0.1463(2) 0.040(3) Uani 1 1 d . . .
O6 O -0.0513(14) 0.4580(3) 0.1382(2) 0.038(3) Uani 1 1 d . . .
O7 O 0.0644(17) 0.2411(3) 0.1153(3) 0.077(4) Uani 1 1 d . . .
O8 O 0.3798(10) 0.0576(3) 0.08850(19) 0.038(2) Uani 1 1 d . . .
O9 O 0.2329(11) 0.03338(19) 0.1193(3) 0.0313(17) Uani 1 1 d U . .
O10 O 0.1438(11) 0.2819(3) 0.41943(18) 0.045(2) Uani 1 1 d . . .
N1 N -0.0230(19) 0.2995(6) 0.4502(3) 0.095(4) Uani 1 1 d . . .
C1 C 0.1132(14) 0.2101(4) 0.2036(2) 0.030(3) Uani 1 1 d . . .
C2 C 0.0305(15) 0.2427(4) 0.2104(3) 0.036(3) Uani 1 1 d . . .
H2 H 0.0232 0.2494 0.2275 0.100 Uiso 1 1 calc . . .
C3 C -0.0443(14) 0.2665(4) 0.1916(3) 0.036(3) Uani 1 1 d . . .
C4 C -0.0343(15) 0.2568(4) 0.1664(3) 0.037(3) Uani 1 1 d . . .
H4 H -0.0840 0.2719 0.1541 0.100 Uiso 1 1 calc . . .
C5 C 0.0518(16) 0.2240(4) 0.1590(3) 0.038(3) Uani 1 1 d . . .
C6 C 0.1239(15) 0.2013(4) 0.1778(3) 0.034(3) Uani 1 1 d . . .
H6 H 0.1805 0.1797 0.1729 0.100 Uiso 1 1 calc . . .
C7 C 0.2042(16) 0.1868(4) 0.2212(3) 0.039(3) Uani 1 1 d . . .
C8 C 0.1720(15) 0.1921(4) 0.2496(3) 0.034(3) Uani 1 1 d . . .
C9 C 0.2972(15) 0.1934(4) 0.2662(3) 0.039(3) Uani 1 1 d . . .
H9 H 0.3994 0.1903 0.2601 0.100 Uiso 1 1 calc . . .
C10 C 0.2697(14) 0.1996(4) 0.2928(3) 0.032(3) Uani 1 1 d . . .
H10 H 0.3533 0.2012 0.3042 0.100 Uiso 1 1 calc . . .
C11 C 0.1148(14) 0.2032(3) 0.3012(3) 0.031(3) Uani 1 1 d . . .
C12 C -0.0146(14) 0.1993(4) 0.2847(2) 0.032(3) Uani 1 1 d . . .
H12 H -0.1170 0.1996 0.2911 0.100 Uiso 1 1 calc . . .
C13 C 0.0130(14) 0.1948(4) 0.2588(3) 0.041(3) Uani 1 1 d . . .
H13 H -0.0710 0.1937 0.2475 0.100 Uiso 1 1 calc . . .
C14 C 0.0857(16) 0.2118(4) 0.3293(3) 0.034(3) Uani 1 1 d . . .
C15 C -0.1305(14) 0.3003(4) 0.2007(3) 0.032(3) Uani 1 1 d . . .
C16 C -0.1478(12) 0.3354(3) 0.1852(2) 0.028(3) Uani 1 1 d . . .
C17 C -0.2681(13) 0.3607(4) 0.1909(3) 0.040(3) Uani 1 1 d . . .
H17 H -0.3411 0.3545 0.2034 0.100 Uiso 1 1 calc . . .
C18 C -0.2799(13) 0.3946(4) 0.1782(3) 0.042(4) Uani 1 1 d . . .
H18 H -0.3634 0.4111 0.1817 0.100 Uiso 1 1 calc . . .
C19 C -0.1684(13) 0.4047(4) 0.1602(2) 0.031(3) Uani 1 1 d . . .
C20 C -0.0470(13) 0.3802(3) 0.1552(2) 0.029(3) Uani 1 1 d . . .
H20 H 0.0294 0.3868 0.1432 0.100 Uiso 1 1 calc . . .
C21 C -0.0380(15) 0.3463(4) 0.1675(3) 0.039(3) Uani 1 1 d . . .
H21 H 0.0452 0.3298 0.1638 0.100 Uiso 1 1 calc . . .
C22 C -0.1804(16) 0.4432(4) 0.1469(2) 0.029(3) Uani 1 1 d . . .
C23 C 0.0742(18) 0.2158(4) 0.1308(3) 0.045(4) Uani 1 1 d . . .
C24 C 0.1173(16) 0.1753(4) 0.1232(3) 0.043(4) Uani 1 1 d . . .
C25 C 0.2202(18) 0.1701(4) 0.1039(3) 0.049(4) Uani 1 1 d . . .
H25 H 0.2592 0.1911 0.0950 0.100 Uiso 1 1 calc . . .
C26 C 0.2680(19) 0.1331(5) 0.0974(3) 0.058(4) Uani 1 1 d . . .
H26 H 0.3414 0.1298 0.0844 0.100 Uiso 1 1 calc . . .
C27 C 0.2081(14) 0.1006(4) 0.1099(2) 0.032(3) Uani 1 1 d . . .
C28 C 0.0973(15) 0.1076(4) 0.1286(3) 0.044(4) Uani 1 1 d . . .
H28 H 0.0515 0.0871 0.1372 0.100 Uiso 1 1 calc . . .
C29 C 0.0550(17) 0.1436(5) 0.1345(3) 0.047(4) Uani 1 1 d . . .
H29 H -0.0211 0.1471 0.1471 0.100 Uiso 1 1 calc . . .
C30 C 0.2738(13) 0.0611(4) 0.1054(3) 0.034(3) Uani 1 1 d . . .
C31 C 0.010(2) 0.2850(8) 0.4281(4) 0.095(4) Uani 1 1 d . . .
H31 H -0.0730 0.2764 0.4181 0.100 Uiso 1 1 calc . . .
C32 C -0.179(3) 0.3050(8) 0.4603(4) 0.095(4) Uani 1 1 d . . .
H32A H -0.1723 0.3148 0.4773 0.100 Uiso 1 1 calc . . .
H32B H -0.2338 0.2808 0.4604 0.100 Uiso 1 1 calc . . .
H32C H -0.2356 0.3229 0.4497 0.100 Uiso 1 1 calc . . .
C33 C 0.096(2) 0.3102(7) 0.4674(4) 0.095(4) Uani 1 1 d . . .
H33A H 0.0483 0.3187 0.4831 0.100 Uiso 1 1 calc . . .
H33B H 0.1571 0.3307 0.4603 0.100 Uiso 1 1 calc . . .
H33C H 0.1625 0.2885 0.4708 0.100 Uiso 1 1 calc . . .
O1W O 0.235(4) -0.2985(11) 0.1127(7) 0.049(11) Uani 0.25 1 d PU . .
O2W O 0.293(5) -0.3286(15) 0.0776(8) 0.063(12) Uani 0.25 1 d PU . .
O3W O 0.224(7) -0.314(2) 0.0902(14) 0.10(2) Uani 0.25 1 d PU . .


_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 O5 2.276(10) 16 ?
Tb1 O5 2.276(10) 15_445 ?
Tb1 O9 2.379(10) 3 ?
Tb1 O9 2.379(10) 4 ?
Tb1 O2 2.395(11) . ?
Tb1 O2 2.395(11) 14 ?
Tb1 O10 2.458(9) . ?
Tb1 O10 2.458(9) 14 ?
Tb2 O3 2.251(12) 14_455 ?
Tb2 O3 2.251(12) . ?
Tb2 O6 2.287(11) 16_455 ?
Tb2 O6 2.287(11) 15_445 ?
Tb2 O8 2.423(9) 3 ?
Tb2 O8 2.423(9) 4_455 ?
Tb2 O9 2.646(10) 3 ?
Tb2 O9 2.646(10) 4_455 ?
Tb2 C30 2.867(13) 3 ?
Tb2 C30 2.867(13) 4_455 ?
O1 C7 1.200(15) . ?
O2 C14 1.187(16) . ?
O3 C14 1.273(17) . ?
O4 C15 1.250(15) . ?
O5 C22 1.260(16) . ?
O5 Tb1 2.276(10) 11_454 ?
O6 C22 1.294(16) . ?
O6 Tb2 2.287(11) 11_454 ?
O7 C23 1.201(18) . ?
O8 C30 1.268(14) . ?
O8 Tb2 2.423(9) 7_544 ?
O9 C30 1.259(17) . ?
O9 Tb1 2.379(10) 7_544 ?
O9 Tb2 2.646(10) 7_544 ?
O10 C31 1.226(18) . ?
N1 C31 1.29(2) . ?
N1 C33 1.40(3) . ?
N1 C32 1.44(3) . ?
C1 C2 1.384(17) . ?
C1 C6 1.388(17) . ?
C1 C7 1.450(18) . ?
C2 C3 1.435(19) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(19) . ?
C3 C15 1.466(18) . ?
C4 C5 1.411(18) . ?
C4 H4 0.9300 . ?
C5 C6 1.407(18) . ?
C5 C23 1.515(19) . ?
C6 H6 0.9300 . ?
C7 C8 1.528(18) . ?
C8 C9 1.374(18) . ?
C8 C13 1.436(16) . ?
C9 C10 1.431(19) . ?
C9 H9 0.9300 . ?
C10 C11 1.392(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.405(16) . ?
C11 C14 1.524(19) . ?
C12 C13 1.387(18) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C15 C16 1.477(17) . ?
C16 C21 1.368(17) . ?
C16 C17 1.381(17) . ?
C17 C18 1.359(19) . ?
C17 H17 0.9300 . ?
C18 C19 1.382(17) . ?
C18 H18 0.9300 . ?
C19 C20 1.365(16) . ?
C19 C22 1.517(17) . ?
C20 C21 1.349(17) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C23 C24 1.512(19) . ?
C24 C25 1.349(19) . ?
C24 C29 1.360(19) . ?
C25 C26 1.39(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.402(19) . ?
C26 H26 0.9300 . ?
C27 C28 1.382(17) . ?
C27 C30 1.502(18) . ?
C28 C29 1.34(2) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 Tb2 2.867(12) 7_544 ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
O1W O3W 1.29(8) . ?
O2W O3W 1.03(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Tb1 O5 139.7(6) 16 15_445 ?
O5 Tb1 O9 110.6(3) 16 3 ?
O5 Tb1 O9 80.3(4) 15_445 3 ?
O5 Tb1 O9 80.3(4) 16 4 ?
O5 Tb1 O9 110.6(3) 15_445 4 ?
O9 Tb1 O9 149.2(7) 3 4 ?
O5 Tb1 O2 141.0(4) 16 . ?
O5 Tb1 O2 77.2(4) 15_445 . ?
O9 Tb1 O2 83.0(4) 3 . ?
O9 Tb1 O2 72.2(4) 4 . ?
O5 Tb1 O2 77.2(4) 16 14 ?
O5 Tb1 O2 141.0(4) 15_445 14 ?
O9 Tb1 O2 72.2(4) 3 14 ?
O9 Tb1 O2 83.0(4) 4 14 ?
O2 Tb1 O2 72.6(6) . 14 ?
O5 Tb1 O10 71.6(4) 16 . ?
O5 Tb1 O10 75.9(4) 15_445 . ?
O9 Tb1 O10 72.0(4) 3 . ?
O9 Tb1 O10 137.9(4) 4 . ?
O2 Tb1 O10 145.7(4) . . ?
O2 Tb1 O10 119.0(4) 14 . ?
O5 Tb1 O10 75.9(4) 16 14 ?
O5 Tb1 O10 71.6(4) 15_445 14 ?
O9 Tb1 O10 137.9(4) 3 14 ?
O9 Tb1 O10 72.0(4) 4 14 ?
O2 Tb1 O10 119.0(4) . 14 ?
O2 Tb1 O10 145.7(4) 14 14 ?
O10 Tb1 O10 71.2(4) . 14 ?
O3 Tb2 O3 118.1(6) 14_455 . ?
O3 Tb2 O6 87.3(4) 14_455 16_455 ?
O3 Tb2 O6 144.5(4) . 16_455 ?
O3 Tb2 O6 144.5(4) 14_455 15_445 ?
O3 Tb2 O6 87.3(4) . 15_445 ?
O6 Tb2 O6 83.6(6) 16_455 15_445 ?
O3 Tb2 O8 74.7(4) 14_455 3 ?
O3 Tb2 O8 83.3(4) . 3 ?
O6 Tb2 O8 80.1(4) 16_455 3 ?
O6 Tb2 O8 136.5(4) 15_445 3 ?
O3 Tb2 O8 83.3(4) 14_455 4_455 ?
O3 Tb2 O8 74.7(4) . 4_455 ?
O6 Tb2 O8 136.5(4) 16_455 4_455 ?
O6 Tb2 O8 80.1(4) 15_445 4_455 ?
O8 Tb2 O8 136.4(5) 3 4_455 ?
O3 Tb2 O9 124.0(3) 14_455 3 ?
O3 Tb2 O9 73.7(4) . 3 ?
O6 Tb2 O9 71.4(4) 16_455 3 ?
O6 Tb2 O9 85.2(4) 15_445 3 ?
O8 Tb2 O9 51.4(3) 3 3 ?
O8 Tb2 O9 145.5(3) 4_455 3 ?
O3 Tb2 O9 73.7(4) 14_455 4_455 ?
O3 Tb2 O9 124.0(3) . 4_455 ?
O6 Tb2 O9 85.2(4) 16_455 4_455 ?
O6 Tb2 O9 71.4(4) 15_445 4_455 ?
O8 Tb2 O9 145.5(3) 3 4_455 ?
O8 Tb2 O9 51.4(3) 4_455 4_455 ?
O9 Tb2 O9 148.7(6) 3 4_455 ?
O3 Tb2 C30 98.2(4) 14_455 3 ?
O3 Tb2 C30 81.5(4) . 3 ?
O6 Tb2 C30 69.9(4) 16_455 3 ?
O6 Tb2 C30 110.5(4) 15_445 3 ?
O8 Tb2 C30 26.0(3) 3 3 ?
O8 Tb2 C30 153.5(3) 4_455 3 ?
O9 Tb2 C30 26.0(3) 3 3 ?
O9 Tb2 C30 154.3(3) 4_455 3 ?
O3 Tb2 C30 81.5(4) 14_455 4_455 ?
O3 Tb2 C30 98.2(4) . 4_455 ?
O6 Tb2 C30 110.5(4) 16_455 4_455 ?
O6 Tb2 C30 69.9(4) 15_445 4_455 ?
O8 Tb2 C30 153.5(3) 3 4_455 ?
O8 Tb2 C30 26.0(3) 4_455 4_455 ?
O9 Tb2 C30 154.3(3) 3 4_455 ?
O9 Tb2 C30 26.0(3) 4_455 4_455 ?
C30 Tb2 C30 179.4(5) 3 4_455 ?
C14 O2 Tb1 134.7(10) . . ?
C14 O3 Tb2 153.0(10) . . ?
C22 O5 Tb1 154.2(10) . 11_454 ?
C22 O6 Tb2 132.7(9) . 11_454 ?
C30 O8 Tb2 96.9(8) . 7_544 ?
C30 O9 Tb1 139.3(9) . 7_544 ?
C30 O9 Tb2 86.8(8) . 7_544 ?
Tb1 O9 Tb2 124.7(3) 7_544 7_544 ?
C31 O10 Tb1 133.0(13) . . ?
C31 N1 C33 121.6(18) . . ?
C31 N1 C32 126(2) . . ?
C33 N1 C32 112.8(17) . . ?
C2 C1 C6 117.8(12) . . ?
C2 C1 C7 124.4(12) . . ?
C6 C1 C7 117.4(12) . . ?
C1 C2 C3 121.3(12) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 119.7(12) . . ?
C4 C3 C15 122.9(12) . . ?
C2 C3 C15 117.4(13) . . ?
C3 C4 C5 119.8(13) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 119.2(13) . . ?
C6 C5 C23 121.5(12) . . ?
C4 C5 C23 119.1(12) . . ?
C1 C6 C5 122.0(12) . . ?
C1 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
O1 C7 C1 124.8(13) . . ?
O1 C7 C8 117.8(12) . . ?
C1 C7 C8 117.3(11) . . ?
C9 C8 C13 120.8(12) . . ?
C9 C8 C7 118.9(12) . . ?
C13 C8 C7 120.3(12) . . ?
C8 C9 C10 119.7(12) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 118.5(12) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
C10 C11 C12 122.3(13) . . ?
C10 C11 C14 118.5(11) . . ?
C12 C11 C14 119.2(11) . . ?
C13 C12 C11 118.8(11) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C8 119.7(12) . . ?
C12 C13 H13 120.1 . . ?
C8 C13 H13 120.1 . . ?
O2 C14 O3 126.2(14) . . ?
O2 C14 C11 122.0(13) . . ?
O3 C14 C11 111.8(13) . . ?
O4 C15 C3 117.7(12) . . ?
O4 C15 C16 120.0(11) . . ?
C3 C15 C16 122.3(11) . . ?
C21 C16 C17 118.4(12) . . ?
C21 C16 C15 122.3(10) . . ?
C17 C16 C15 118.8(11) . . ?
C18 C17 C16 120.2(12) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.3(12) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 119.4(12) . . ?
C20 C19 C22 121.0(11) . . ?
C18 C19 C22 119.6(11) . . ?
C21 C20 C19 119.9(11) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C16 121.9(11) . . ?
C20 C21 H21 119.1 . . ?
C16 C21 H21 119.1 . . ?
O5 C22 O6 126.5(13) . . ?
O5 C22 C19 116.2(11) . . ?
O6 C22 C19 117.3(12) . . ?
O7 C23 C24 121.5(14) . . ?
O7 C23 C5 120.7(13) . . ?
C24 C23 C5 117.7(12) . . ?
C25 C24 C29 118.1(14) . . ?
C25 C24 C23 118.7(13) . . ?
C29 C24 C23 123.2(14) . . ?
C24 C25 C26 119.7(14) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C27 121.8(13) . . ?
C25 C26 H26 119.1 . . ?
C27 C26 H26 119.1 . . ?
C28 C27 C26 115.8(13) . . ?
C28 C27 C30 121.7(12) . . ?
C26 C27 C30 122.0(12) . . ?
C29 C28 C27 120.8(14) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C24 123.6(14) . . ?
C28 C29 H29 118.2 . . ?
C24 C29 H29 118.2 . . ?
O9 C30 O8 121.6(12) . . ?
O9 C30 C27 120.6(12) . . ?
O8 C30 C27 117.5(12) . . ?
O9 C30 Tb2 67.1(7) . 7_544 ?
O8 C30 Tb2 57.0(6) . 7_544 ?
C27 C30 Tb2 158.0(8) . 7_544 ?
O10 C31 N1 125(2) . . ?
O10 C31 H31 117.6 . . ?
N1 C31 H31 117.6 . . ?
N1 C32 H32A 109.5 . . ?
N1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N1 C33 H33A 109.5 . . ?
N1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O2W O3W O1W 139(7) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.116
_refine_diff_density_min         -0.960
_refine_diff_density_rms         0.280
_exptl_crystal_recrystallization_method Solvotherm
_exptl_crystal_preparation       'Luminescent, Sorption'
_database_code_depnum_ccdc_archive 'CCDC 1020632'
