# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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
_audit_block_doi                 10.5517/ccdc.csd.cc20z97k
_database_code_depnum_ccdc_archive 'CCDC 1876158'
_audit_update_record             
;
2019-01-08 deposited with the CCDC.
2019-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H46 N12 O35 Tb4'
_chemical_formula_weight         1770.47

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'
Tb Tb -0.1723 4.1537 '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                   10.7095(7)
_cell_length_b                   11.3590(6)
_cell_length_c                   12.0866(7)
_cell_angle_alpha                62.703(2)
_cell_angle_beta                 74.569(2)
_cell_angle_gamma                68.667(2)
_cell_volume                     1208.29(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3509
_cell_measurement_theta_min      2.9703
_cell_measurement_theta_max      25.3312

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.433
_exptl_crystal_F_000             850
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    5.905
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6053
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12685
_diffrn_reflns_av_unetI/netI     0.0756
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.364
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             4228
_reflns_number_gt                3109
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²+1.0080P] 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         4228
_refine_ls_number_parameters     370
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0389
_refine_ls_wR_factor_ref         0.0634
_refine_ls_wR_factor_gt          0.0587
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3680(7) 0.1019(7) 0.1023(7) 0.0084(16) Uani 1 1 d . U . . .
C2 C 0.5902(7) 0.0698(7) 0.0601(7) 0.0082(16) Uani 1 1 d . U . . .
C3 C 0.5013(7) -0.0821(6) 0.2335(6) 0.0047(15) Uani 1 1 d . U . . .
C4 C 0.6546(7) -0.2692(6) 0.3797(7) 0.0076(15) Uani 1 1 d . U . . .
H4A H 0.7159 -0.2877 0.3085 0.009 Uiso 1 1 calc R U . . .
H4B H 0.6522 -0.3597 0.4492 0.009 Uiso 1 1 calc R U . . .
C5 C 0.7148(7) -0.1981(7) 0.4210(7) 0.0103(16) Uani 1 1 d . . . . .
C6 C 0.4096(7) -0.2548(7) 0.4199(7) 0.0100(16) Uani 1 1 d . U . . .
H6A H 0.4381 -0.3555 0.4421 0.012 Uiso 1 1 calc R U . . .
H6B H 0.3309 -0.2126 0.3724 0.012 Uiso 1 1 calc R U . . .
C7 C 0.3679(8) -0.2287(7) 0.5412(7) 0.0127(17) Uani 1 1 d . U . . .
C8 C 0.8245(7) 0.0537(7) 0.0423(7) 0.0069(16) Uani 1 1 d . . . . .
H8A H 0.8928 0.0966 -0.0212 0.008 Uiso 1 1 calc R U . . .
H8B H 0.8566 -0.0464 0.0616 0.008 Uiso 1 1 calc R U . . .
C9 C 0.8152(7) 0.0731(7) 0.1598(7) 0.0081(16) Uani 1 1 d . U . . .
C10 C 0.6869(7) 0.2264(6) -0.1325(6) 0.0064(15) Uani 1 1 d . . . . .
H10A H 0.6260 0.2175 -0.1755 0.008 Uiso 1 1 calc R U . . .
H10B H 0.7769 0.2171 -0.1825 0.008 Uiso 1 1 calc R U . . .
C11 C 0.6357(7) 0.3695(7) -0.1356(7) 0.0078(16) Uani 1 1 d . . . . .
C12 C 0.1254(7) 0.1490(7) 0.1631(7) 0.0112(17) Uani 1 1 d . . . . .
H12A H 0.1249 0.0614 0.1646 0.013 Uiso 1 1 calc R U . . .
H12B H 0.0426 0.2200 0.1282 0.013 Uiso 1 1 calc R U . . .
C13 C 0.1168(7) 0.1300(7) 0.2960(7) 0.0106(17) Uani 1 1 d . . . . .
C14 C 0.2281(7) 0.3269(6) -0.0232(7) 0.0086(16) Uani 1 1 d . U . . .
H14A H 0.1310 0.3777 -0.0273 0.010 Uiso 1 1 calc R U . . .
H14B H 0.2656 0.3175 -0.1039 0.010 Uiso 1 1 calc R U . . .
C15 C 0.2998(7) 0.4118(7) -0.0075(7) 0.0106(17) Uani 1 1 d . . . . .
N1 N 0.4696(6) 0.1463(5) 0.0209(5) 0.0080(14) Uani 1 1 d . . . . .
N2 N 0.6147(6) -0.0457(5) 0.1657(5) 0.0066(13) Uani 1 1 d . . . . .
N3 N 0.3754(6) -0.0135(5) 0.2064(5) 0.0069(13) Uani 1 1 d . U . . .
N4 N 0.5195(6) -0.1970(5) 0.3414(5) 0.0073(13) Uani 1 1 d . U . . .
N5 N 0.6991(6) 0.1115(5) -0.0112(5) 0.0078(13) Uani 1 1 d . . . . .
N6 N 0.2408(6) 0.1890(5) 0.0779(5) 0.0067(13) Uani 1 1 d . U . . .
O1 O 0.6572(5) -0.0807(5) 0.4214(5) 0.0105(11) Uani 1 1 d . . . . .
O2 O 0.8340(5) -0.2609(5) 0.4522(5) 0.0144(12) Uani 1 1 d . . . . .
O3 O 0.4300(5) -0.3138(5) 0.6327(5) 0.0179(13) Uani 1 1 d . . . . .
O4 O 0.2736(5) -0.1219(5) 0.5379(5) 0.0172(13) Uani 1 1 d . . . . .
O5 O 0.9001(5) -0.0127(5) 0.2344(5) 0.0150(12) Uani 1 1 d . . . . .
O6 O 0.7257(5) 0.1747(5) 0.1771(5) 0.0125(12) Uani 1 1 d . . . . .
O7 O 0.5812(5) 0.3904(5) -0.0383(5) 0.0106(12) Uani 1 1 d . . . . .
O8 O 0.6386(5) 0.4709(4) -0.2413(5) 0.0132(12) Uani 1 1 d . . . . .
O9 O 0.0363(5) 0.0648(5) 0.3784(5) 0.0112(12) Uani 1 1 d . . . . .
O10 O 0.1856(5) 0.1762(4) 0.3290(5) 0.0114(12) Uani 1 1 d . . . . .
O11 O 0.3209(5) 0.5141(5) -0.1081(5) 0.0127(12) Uani 1 1 d . . . . .
O12 O 1.0822(5) -0.2466(5) 0.4743(5) 0.0167(13) Uani 1 1 d . . . . .
O13 O 0.5437(5) -0.1591(4) 0.6985(5) 0.0124(12) Uani 1 1 d . . . . .
O14 O 0.3300(5) 0.3800(4) 0.0978(5) 0.0121(12) Uani 1 1 d . . . . .
O15 O 0.0027(13) 0.7222(12) 0.2069(12) 0.044(4) Uani 0.5 1 d . . P . .
O16 O 0.1319(5) 0.5403(5) 0.4077(5) 0.0237(14) Uani 1 1 d . . . . .
O17 O 0.8495(9) 0.3982(7) 0.2943(8) 0.083(3) Uani 1 1 d . . . . .
O18 O 0.0505(8) 0.5192(9) 0.1762(9) 0.096(3) Uani 1 1 d . U . . .
Tb1 Tb 0.87835(4) -0.06573(3) 0.44630(3) 0.00842(11) Uani 1 1 d . . . . .
Tb2 Tb 0.47116(4) -0.35434(3) 0.82965(3) 0.00757(10) Uani 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
C1 N3 1.331(8) . ?
C1 N1 1.334(9) . ?
C1 N6 1.374(8) . ?
C2 N1 1.334(8) . ?
C2 N2 1.346(8) . ?
C2 N5 1.348(9) . ?
C3 N3 1.330(8) . ?
C3 N4 1.353(8) . ?
C3 N2 1.358(9) . ?
C4 N4 1.458(8) . ?
C4 C5 1.496(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 O1 1.251(8) . ?
C5 O2 1.276(8) . ?
C5 Tb1 2.837(7) . ?
C6 N4 1.453(9) . ?
C6 C7 1.547(10) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 O3 1.242(8) . ?
C7 O4 1.256(8) . ?
C8 N5 1.443(8) . ?
C8 C9 1.507(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 O5 1.255(8) . ?
C9 O6 1.267(8) . ?
C10 N5 1.447(8) . ?
C10 C11 1.501(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 O7 1.253(8) . ?
C11 O8 1.271(8) . ?
C11 Tb2 2.878(7) 1_564 ?
C12 N6 1.448(9) . ?
C12 C13 1.501(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 O10 1.267(8) . ?
C13 O9 1.271(9) . ?
C13 Tb1 2.865(8) 2_656 ?
C14 N6 1.464(8) . ?
C14 C15 1.530(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 O14 1.252(8) . ?
C15 O11 1.276(8) . ?
O1 Tb1 2.540(5) . ?
O2 Tb1 2.397(4) . ?
O3 Tb2 2.340(5) . ?
O4 Tb1 2.217(5) 2_656 ?
O5 Tb1 2.312(5) . ?
O6 Tb2 2.329(5) 2_656 ?
O7 Tb2 2.304(5) 2_656 ?
O7 Tb2 2.572(4) 1_564 ?
O8 Tb2 2.459(5) 1_564 ?
O9 Tb1 2.388(5) 1_455 ?
O9 Tb1 2.526(5) 2_656 ?
O10 Tb1 2.435(5) 2_656 ?
O11 Tb2 2.337(5) 1_564 ?
O12 Tb1 2.365(5) . ?
O13 Tb2 2.325(5) . ?
O14 Tb2 2.387(5) 2_656 ?
Tb1 O4 2.217(5) 2_656 ?
Tb1 O9 2.388(5) 1_655 ?
Tb1 O10 2.435(5) 2_656 ?
Tb1 O9 2.526(5) 2_656 ?
Tb1 C13 2.865(8) 2_656 ?
Tb2 O7 2.304(5) 2_656 ?
Tb2 O6 2.329(5) 2_656 ?
Tb2 O11 2.337(5) 1_546 ?
Tb2 O14 2.387(5) 2_656 ?
Tb2 O8 2.459(5) 1_546 ?
Tb2 O7 2.572(4) 1_546 ?
Tb2 C11 2.878(7) 1_546 ?
Tb2 Tb2 3.9569(7) 2_647 ?

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
N3 C1 N1 127.9(6) . . ?
N3 C1 N6 116.3(7) . . ?
N1 C1 N6 115.7(6) . . ?
N1 C2 N2 126.3(7) . . ?
N1 C2 N5 117.8(6) . . ?
N2 C2 N5 115.9(6) . . ?
N3 C3 N4 117.6(6) . . ?
N3 C3 N2 126.4(6) . . ?
N4 C3 N2 115.9(6) . . ?
N4 C4 C5 117.0(5) . . ?
N4 C4 H4A 108.1 . . ?
C5 C4 H4A 108.1 . . ?
N4 C4 H4B 108.1 . . ?
C5 C4 H4B 108.1 . . ?
H4A C4 H4B 107.3 . . ?
O1 C5 O2 119.6(6) . . ?
O1 C5 C4 123.7(6) . . ?
O2 C5 C4 116.6(6) . . ?
O1 C5 Tb1 63.6(4) . . ?
O2 C5 Tb1 57.1(3) . . ?
C4 C5 Tb1 165.4(5) . . ?
N4 C6 C7 111.3(6) . . ?
N4 C6 H6A 109.4 . . ?
C7 C6 H6A 109.4 . . ?
N4 C6 H6B 109.4 . . ?
C7 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
O3 C7 O4 125.8(7) . . ?
O3 C7 C6 117.8(6) . . ?
O4 C7 C6 116.5(6) . . ?
N5 C8 C9 114.4(6) . . ?
N5 C8 H8A 108.7 . . ?
C9 C8 H8A 108.7 . . ?
N5 C8 H8B 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
O5 C9 O6 123.6(7) . . ?
O5 C9 C8 117.1(6) . . ?
O6 C9 C8 119.3(6) . . ?
N5 C10 C11 117.7(6) . . ?
N5 C10 H10A 107.9 . . ?
C11 C10 H10A 107.9 . . ?
N5 C10 H10B 107.9 . . ?
C11 C10 H10B 107.9 . . ?
H10A C10 H10B 107.2 . . ?
O7 C11 O8 120.1(6) . . ?
O7 C11 C10 121.3(6) . . ?
O8 C11 C10 118.3(6) . . ?
O7 C11 Tb2 63.3(3) . 1_564 ?
O8 C11 Tb2 58.2(3) . 1_564 ?
C10 C11 Tb2 162.7(5) . 1_564 ?
N6 C12 C13 117.0(6) . . ?
N6 C12 H12A 108.0 . . ?
C13 C12 H12A 108.0 . . ?
N6 C12 H12B 108.0 . . ?
C13 C12 H12B 108.0 . . ?
H12A C12 H12B 107.3 . . ?
O10 C13 O9 119.1(7) . . ?
O10 C13 C12 123.0(7) . . ?
O9 C13 C12 117.9(6) . . ?
O10 C13 Tb1 57.7(4) . 2_656 ?
O9 C13 Tb1 61.8(4) . 2_656 ?
C12 C13 Tb1 173.9(5) . 2_656 ?
N6 C14 C15 113.8(6) . . ?
N6 C14 H14A 108.8 . . ?
C15 C14 H14A 108.8 . . ?
N6 C14 H14B 108.8 . . ?
C15 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
O14 C15 O11 125.9(6) . . ?
O14 C15 C14 120.1(6) . . ?
O11 C15 C14 114.0(6) . . ?
C1 N1 C2 113.0(6) . . ?
C2 N2 C3 113.2(6) . . ?
C3 N3 C1 112.8(6) . . ?
C3 N4 C6 122.5(6) . . ?
C3 N4 C4 119.4(6) . . ?
C6 N4 C4 118.0(5) . . ?
C2 N5 C8 119.0(6) . . ?
C2 N5 C10 120.8(6) . . ?
C8 N5 C10 119.5(6) . . ?
C1 N6 C12 119.0(6) . . ?
C1 N6 C14 118.5(6) . . ?
C12 N6 C14 122.0(5) . . ?
C5 O1 Tb1 90.3(4) . . ?
C5 O2 Tb1 96.3(4) . . ?
C7 O3 Tb2 144.5(5) . . ?
C7 O4 Tb1 171.3(5) . 2_656 ?
C9 O5 Tb1 126.8(5) . . ?
C9 O6 Tb2 162.8(5) . 2_656 ?
C11 O7 Tb2 160.4(4) . 2_656 ?
C11 O7 Tb2 90.9(4) . 1_564 ?
Tb2 O7 Tb2 108.38(18) 2_656 1_564 ?
C11 O8 Tb2 95.7(4) . 1_564 ?
C13 O9 Tb1 152.9(5) . 1_455 ?
C13 O9 Tb1 91.9(4) . 2_656 ?
Tb1 O9 Tb1 114.6(2) 1_455 2_656 ?
C13 O10 Tb1 96.2(4) . 2_656 ?
C15 O11 Tb2 132.6(4) . 1_564 ?
C15 O14 Tb2 134.0(5) . 2_656 ?
O4 Tb1 O5 102.30(18) 2_656 . ?
O4 Tb1 O12 157.50(18) 2_656 . ?
O5 Tb1 O12 92.62(18) . . ?
O4 Tb1 O9 85.09(18) 2_656 1_655 ?
O5 Tb1 O9 82.57(17) . 1_655 ?
O12 Tb1 O9 80.20(16) . 1_655 ?
O4 Tb1 O2 126.68(18) 2_656 . ?
O5 Tb1 O2 79.29(17) . . ?
O12 Tb1 O2 72.29(16) . . ?
O9 Tb1 O2 146.07(17) 1_655 . ?
O4 Tb1 O10 84.62(17) 2_656 2_656 ?
O5 Tb1 O10 159.36(16) . 2_656 ?
O12 Tb1 O10 87.23(17) . 2_656 ?
O9 Tb1 O10 117.65(16) 1_655 2_656 ?
O2 Tb1 O10 81.02(16) . 2_656 ?
O4 Tb1 O9 81.32(16) 2_656 2_656 ?
O5 Tb1 O9 147.46(17) . 2_656 ?
O12 Tb1 O9 77.12(17) . 2_656 ?
O9 Tb1 O9 65.4(2) 1_655 2_656 ?
O2 Tb1 O9 124.72(16) . 2_656 ?
O10 Tb1 O9 52.28(15) 2_656 2_656 ?
O4 Tb1 O1 75.62(16) 2_656 . ?
O5 Tb1 O1 77.25(17) . . ?
O12 Tb1 O1 124.68(16) . . ?
O9 Tb1 O1 148.18(15) 1_655 . ?
O2 Tb1 O1 52.40(15) . . ?
O10 Tb1 O1 85.86(16) 2_656 . ?
O9 Tb1 O1 133.86(16) 2_656 . ?
O4 Tb1 C5 101.65(19) 2_656 . ?
O5 Tb1 C5 73.94(19) . . ?
O12 Tb1 C5 98.59(18) . . ?
O9 Tb1 C5 156.43(19) 1_655 . ?
O2 Tb1 C5 26.55(17) . . ?
O10 Tb1 C5 85.66(18) 2_656 . ?
O9 Tb1 C5 137.65(18) 2_656 . ?
O1 Tb1 C5 26.16(17) . . ?
O4 Tb1 C13 80.36(18) 2_656 2_656 ?
O5 Tb1 C13 173.30(19) . 2_656 ?
O12 Tb1 C13 83.11(19) . 2_656 ?
O9 Tb1 C13 91.6(2) 1_655 2_656 ?
O2 Tb1 C13 104.17(19) . 2_656 ?
O10 Tb1 C13 26.08(18) 2_656 2_656 ?
O9 Tb1 C13 26.32(18) 2_656 2_656 ?
O1 Tb1 C13 109.43(19) . 2_656 ?
C5 Tb1 C13 111.7(2) . 2_656 ?
O7 Tb2 O13 115.31(16) 2_656 . ?
O7 Tb2 O6 79.14(17) 2_656 2_656 ?
O13 Tb2 O6 77.23(17) . 2_656 ?
O7 Tb2 O11 80.43(17) 2_656 1_546 ?
O13 Tb2 O11 151.84(16) . 1_546 ?
O6 Tb2 O11 83.61(17) 2_656 1_546 ?
O7 Tb2 O3 156.17(18) 2_656 . ?
O13 Tb2 O3 77.65(17) . . ?
O6 Tb2 O3 84.91(17) 2_656 . ?
O11 Tb2 O3 80.29(18) 1_546 . ?
O7 Tb2 O14 72.29(17) 2_656 2_656 ?
O13 Tb2 O14 72.80(16) . 2_656 ?
O6 Tb2 O14 123.39(16) 2_656 2_656 ?
O11 Tb2 O14 135.37(16) 1_546 2_656 ?
O3 Tb2 O14 131.54(19) . 2_656 ?
O7 Tb2 O8 122.23(15) 2_656 1_546 ?
O13 Tb2 O8 101.36(17) . 1_546 ?
O6 Tb2 O8 155.08(16) 2_656 1_546 ?
O11 Tb2 O8 87.46(17) 1_546 1_546 ?
O3 Tb2 O8 70.64(16) . 1_546 ?
O14 Tb2 O8 78.55(16) 2_656 1_546 ?
O7 Tb2 O7 71.62(18) 2_656 1_546 ?
O13 Tb2 O7 136.64(16) . 1_546 ?
O6 Tb2 O7 142.50(17) 2_656 1_546 ?
O11 Tb2 O7 69.02(16) 1_546 1_546 ?
O3 Tb2 O7 113.74(16) . 1_546 ?
O14 Tb2 O7 69.16(15) 2_656 1_546 ?
O8 Tb2 O7 51.49(16) 1_546 1_546 ?
O7 Tb2 C11 97.38(19) 2_656 1_546 ?
O13 Tb2 C11 123.21(19) . 1_546 ?
O6 Tb2 C11 157.64(19) 2_656 1_546 ?
O11 Tb2 C11 74.04(18) 1_546 1_546 ?
O3 Tb2 C11 90.64(18) . 1_546 ?
O14 Tb2 C11 75.23(17) 2_656 1_546 ?
O8 Tb2 C11 26.07(18) 1_546 1_546 ?
O7 Tb2 C11 25.80(17) 1_546 1_546 ?
O7 Tb2 Tb2 38.08(11) 2_656 2_647 ?
O13 Tb2 Tb2 136.17(11) . 2_647 ?
O6 Tb2 Tb2 113.95(13) 2_656 2_647 ?
O11 Tb2 Tb2 70.76(11) 1_546 2_647 ?
O3 Tb2 Tb2 142.58(12) . 2_647 ?
O14 Tb2 Tb2 65.90(11) 2_656 2_647 ?
O8 Tb2 Tb2 84.60(11) 1_546 2_647 ?
O7 Tb2 Tb2 33.54(11) 1_546 2_647 ?
C11 Tb2 Tb2 59.32(14) 1_546 2_647 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 C4 C5 O1 -1.8(11) . . . . ?
N4 C4 C5 O2 -178.8(6) . . . . ?
N4 C4 C5 Tb1 -117.8(17) . . . . ?
N4 C6 C7 O3 -86.9(8) . . . . ?
N4 C6 C7 O4 92.9(8) . . . . ?
N5 C8 C9 O5 154.7(6) . . . . ?
N5 C8 C9 O6 -26.7(9) . . . . ?
N5 C10 C11 O7 -13.5(10) . . . . ?
N5 C10 C11 O8 172.3(6) . . . . ?
N5 C10 C11 Tb2 -114.1(16) . . . 1_564 ?
N6 C12 C13 O10 16.5(10) . . . . ?
N6 C12 C13 O9 -163.7(6) . . . . ?
N6 C14 C15 O14 -19.3(9) . . . . ?
N6 C14 C15 O11 162.0(6) . . . . ?
N3 C1 N1 C2 -7.8(10) . . . . ?
N6 C1 N1 C2 169.4(6) . . . . ?
N2 C2 N1 C1 3.8(10) . . . . ?
N5 C2 N1 C1 -175.5(6) . . . . ?
N1 C2 N2 C3 0.6(10) . . . . ?
N5 C2 N2 C3 179.9(6) . . . . ?
N3 C3 N2 C2 -2.2(9) . . . . ?
N4 C3 N2 C2 -179.5(6) . . . . ?
N4 C3 N3 C1 176.4(6) . . . . ?
N2 C3 N3 C1 -0.9(10) . . . . ?
N1 C1 N3 C3 6.5(10) . . . . ?
N6 C1 N3 C3 -170.7(6) . . . . ?
N3 C3 N4 C6 6.8(9) . . . . ?
N2 C3 N4 C6 -175.6(6) . . . . ?
N3 C3 N4 C4 -175.2(5) . . . . ?
N2 C3 N4 C4 2.4(9) . . . . ?
C7 C6 N4 C3 -107.1(7) . . . . ?
C7 C6 N4 C4 74.9(7) . . . . ?
C5 C4 N4 C3 69.8(8) . . . . ?
C5 C4 N4 C6 -112.1(7) . . . . ?
N1 C2 N5 C8 164.3(6) . . . . ?
N2 C2 N5 C8 -15.0(9) . . . . ?
N1 C2 N5 C10 -6.6(9) . . . . ?
N2 C2 N5 C10 174.0(6) . . . . ?
C9 C8 N5 C2 -57.0(8) . . . . ?
C9 C8 N5 C10 114.1(7) . . . . ?
C11 C10 N5 C2 80.2(8) . . . . ?
C11 C10 N5 C8 -90.7(8) . . . . ?
N3 C1 N6 C12 -1.5(9) . . . . ?
N1 C1 N6 C12 -179.0(6) . . . . ?
N3 C1 N6 C14 170.0(6) . . . . ?
N1 C1 N6 C14 -7.5(9) . . . . ?
C13 C12 N6 C1 61.7(8) . . . . ?
C13 C12 N6 C14 -109.5(7) . . . . ?
C15 C14 N6 C1 -56.7(8) . . . . ?
C15 C14 N6 C12 114.5(7) . . . . ?
O2 C5 O1 Tb1 11.6(7) . . . . ?
C4 C5 O1 Tb1 -165.4(7) . . . . ?
O1 C5 O2 Tb1 -12.3(7) . . . . ?
C4 C5 O2 Tb1 164.8(5) . . . . ?
O4 C7 O3 Tb2 -13.1(14) . . . . ?
C6 C7 O3 Tb2 166.6(6) . . . . ?
O6 C9 O5 Tb1 24.3(10) . . . . ?
C8 C9 O5 Tb1 -157.3(5) . . . . ?
O5 C9 O6 Tb2 -155.3(12) . . . 2_656 ?
C8 C9 O6 Tb2 26(2) . . . 2_656 ?
O8 C11 O7 Tb2 -157.6(10) . . . 2_656 ?
C10 C11 O7 Tb2 28.3(18) . . . 2_656 ?
Tb2 C11 O7 Tb2 -170.7(14) 1_564 . . 2_656 ?
O8 C11 O7 Tb2 13.1(6) . . . 1_564 ?
C10 C11 O7 Tb2 -160.9(6) . . . 1_564 ?
O7 C11 O8 Tb2 -13.8(7) . . . 1_564 ?
C10 C11 O8 Tb2 160.4(5) . . . 1_564 ?
O10 C13 O9 Tb1 -175.8(6) . . . 1_455 ?
C12 C13 O9 Tb1 4.4(14) . . . 1_455 ?
Tb1 C13 O9 Tb1 -168.6(10) 2_656 . . 1_455 ?
O10 C13 O9 Tb1 -7.1(6) . . . 2_656 ?
C12 C13 O9 Tb1 173.1(5) . . . 2_656 ?
O9 C13 O10 Tb1 7.4(7) . . . 2_656 ?
C12 C13 O10 Tb1 -172.8(6) . . . 2_656 ?
O14 C15 O11 Tb2 21.6(11) . . . 1_564 ?
C14 C15 O11 Tb2 -159.8(4) . . . 1_564 ?
O11 C15 O14 Tb2 -48.0(10) . . . 2_656 ?
C14 C15 O14 Tb2 133.5(6) . . . 2_656 ?

_refine_diff_density_max         1.033
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.207

# start Validation Reply Form
_vrf_PLAT043_1                   
;  
RESPONSE: The H atoms on some coordinated or solvent 
water molecules were not located.
;

_vrf_PLAT430_1                   
;  
RESPONSE: In this heavy-atom structure as it 
was not possible to see clear electron-density 
peaks in difference maps which would correspond 
with acceptable locations for the various H 
atoms bonded to water oxygen atoms, the 
refinement was completed with no allowance 
for these water H atoms in the model.
;
_vrf_PLAT306_1                   
; 
RESPONSE: In this heavy-atom structure as it 
was not possible to see clear electron-density 
peaks in difference maps which would correspond 
with acceptable locations for the various H 
atoms bonded to water oxygen atoms, the 
refinement was completed with no allowance 
for these water H atoms in the model.
;
