# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_fddd_sq
_database_code_depnum_ccdc_archive 'CCDC 1883128'
loop_
_audit_author_name
_audit_author_address
'qing-fu sun'
;Fujian institute of research on the structure of matter-Chinese Academy of Sciences
China
;
_audit_update_record             
;
2018-12-04 deposited with the CCDC.	2019-02-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C276 H204 Cl11 Eu4 N36 O68'
_chemical_formula_weight         6110.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0038 0.0019 '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 0.0074 0.0037 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0125 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.0793 3.9638 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1599 0.1741 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           70
_space_group_name_H-M_alt        'F d d d'
_space_group_name_Hall           '-F 2uv 2vw'

_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+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'

_cell_length_a                   15.1924(19)
_cell_length_b                   62.679(10)
_cell_length_c                   95.062(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     90523(22)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    57632
_cell_measurement_theta_min      0.891
_cell_measurement_theta_max      15.298

_exptl_crystal_description       needle
_exptl_crystal_colour            yellowish
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.897
_exptl_crystal_F_000             24760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.730
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.7388
_diffrn_radiation_type           synchrotron
_diffrn_source                   SSRF
_diffrn_measurement_device_type  CCD
_diffrn_measurement.method       'ω scans'
_diffrn_measurement.details      
' 1.00 degrees, 6.4 sec, detector distance 200.00 mm'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            57632
_diffrn_reflns_av_unetI/netI     0.0531
_diffrn_reflns_av_R_equivalents  0.1376
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_l_min       -67
_diffrn_reflns_limit_l_max       67
_diffrn_reflns_theta_min         0.891
_diffrn_reflns_theta_max         15.298
_diffrn_reflns_theta_full        15.298
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             4284
_reflns_number_gt                3382
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)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         4284
_refine_ls_number_parameters     785
_refine_ls_number_restraints     1528
_refine_ls_R_factor_all          0.1914
_refine_ls_R_factor_gt           0.1634
_refine_ls_wR_factor_ref         0.4808
_refine_ls_wR_factor_gt          0.4469
_refine_ls_goodness_of_fit_ref   2.478
_refine_ls_restrained_S_all      2.136
_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_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
EU1 Eu 0.23608(16) 0.21808(4) 0.05926(2) 0.125(2) Uani 1 1 d . . . . .
C1 C 0.015(4) -0.0303(8) 0.2764(5) 0.30(3) Uani 1 1 d D U . . .
H1A H 0.061853 -0.039591 0.277517 0.354 Uiso 1 1 calc R U . . .
H1B H -0.029970 -0.029975 0.283136 0.354 Uiso 1 1 calc R U . . .
C2 C 0.011(3) -0.0168(7) 0.2647(4) 0.240(18) Uani 1 1 d D U . . .
H2 H -0.035626 -0.007328 0.263352 0.288 Uiso 1 1 calc R U . . .
C3 C 0.087(2) -0.0186(6) 0.2545(3) 0.226(15) Uani 1 1 d DG U . . .
C4 C 0.158(3) -0.0323(5) 0.2558(3) 0.213(15) Uani 1 1 d G U . . .
H4 H 0.162585 -0.041385 0.263445 0.255 Uiso 1 1 calc R U . . .
C5 C 0.224(2) -0.0323(5) 0.2456(4) 0.204(14) Uani 1 1 d G U . . .
H5 H 0.271961 -0.041408 0.246414 0.245 Uiso 1 1 calc R U . . .
C6 C 0.218(2) -0.0187(6) 0.2341(3) 0.186(13) Uani 1 1 d G U . . .
C7 C 0.146(3) -0.0050(6) 0.2328(3) 0.199(14) Uani 1 1 d G U . . .
H7 H 0.142073 0.004112 0.225081 0.239 Uiso 1 1 calc R U . . .
C8 C 0.081(2) -0.0050(6) 0.2430(4) 0.212(15) Uani 1 1 d G U . . .
H8 H 0.032696 0.004136 0.242112 0.255 Uiso 1 1 calc R U . . .
N9 N 0.281(3) -0.0182(7) 0.2233(4) 0.175(11) Uani 1 1 d . U . . .
H9 H 0.310202 -0.029843 0.222409 0.210 Uiso 1 1 calc R U . . .
C10 C 0.306(2) -0.0011(6) 0.2133(5) 0.162(12) Uani 1 1 d D U . . .
O11 O 0.2509(19) 0.0126(5) 0.2124(3) 0.159(11) Uani 1 1 d D U . . .
N12 N 0.3569(14) 0.0048(3) 0.1909(3) 0.149(11) Uani 1 1 d G U . . .
C13 C 0.3699(18) -0.0079(5) 0.2027(3) 0.165(11) Uani 1 1 d G U . . .
C14 C 0.435(2) -0.0234(5) 0.2026(3) 0.194(14) Uani 1 1 d G U . . .
H14 H 0.444183 -0.031927 0.210539 0.233 Uiso 1 1 calc R U . . .
C15 C 0.4879(19) -0.0262(5) 0.1908(4) 0.197(14) Uani 1 1 d G U . . .
H15 H 0.531758 -0.036549 0.190779 0.236 Uiso 1 1 calc R U . . .
C16 C 0.4749(19) -0.0135(5) 0.1790(3) 0.187(13) Uani 1 1 d G U . . .
H16 H 0.509966 -0.015340 0.171084 0.225 Uiso 1 1 calc R U . . .
C17 C 0.4093(19) 0.0020(4) 0.1790(3) 0.161(11) Uani 1 1 d G U . . .
C18 C 0.388(3) 0.0162(6) 0.1678(5) 0.135(11) Uani 1 1 d D U . . .
O19 O 0.327(2) 0.0285(5) 0.1695(3) 0.138(10) Uani 1 1 d D U . . .
N20 N 0.447(2) 0.0186(5) 0.1583(3) 0.126(10) Uani 1 1 d . U . . .
H20 H 0.493654 0.010770 0.159010 0.151 Uiso 1 1 calc R U . . .
C21 C 0.4441(17) 0.0327(4) 0.1472(3) 0.133(11) Uani 1 1 d G U . . .
C22 C 0.4959(18) 0.0269(4) 0.1357(3) 0.156(12) Uani 1 1 d G U . . .
H22 H 0.529045 0.014439 0.136025 0.187 Uiso 1 1 calc R U . . .
C23 C 0.4982(18) 0.0398(5) 0.1238(3) 0.148(12) Uani 1 1 d G U . . .
H23 H 0.532812 0.035930 0.116164 0.177 Uiso 1 1 calc R U . . .
C24 C 0.4486(17) 0.0584(4) 0.1234(3) 0.118(10) Uani 1 1 d G U . . .
C25 C 0.3968(18) 0.0642(4) 0.1348(3) 0.143(12) Uani 1 1 d G U . . .
H25 H 0.363666 0.076631 0.134491 0.172 Uiso 1 1 calc R U . . .
C26 C 0.3946(18) 0.0513(5) 0.1467(3) 0.158(12) Uani 1 1 d G U . . .
H26 H 0.359897 0.055140 0.154352 0.189 Uiso 1 1 calc R U . . .
C27 C 0.455(2) 0.0711(6) 0.1105(4) 0.097(9) Uani 1 1 d . U . . .
C28 C 0.524(3) 0.0711(6) 0.1008(4) 0.102(10) Uani 1 1 d . U . . .
H28 H 0.570131 0.061556 0.102370 0.123 Uiso 1 1 calc R U . . .
C29 C 0.531(3) 0.0846(7) 0.0888(4) 0.118(10) Uani 1 1 d . U . . .
C30 C 0.467(3) 0.1010(7) 0.0880(4) 0.099(10) Uani 1 1 d . U . . .
H30 H 0.473950 0.111674 0.081319 0.119 Uiso 1 1 calc R U . . .
C31 C 0.397(3) 0.1016(7) 0.0966(4) 0.094(9) Uani 1 1 d . U . . .
C32 C 0.393(2) 0.0888(6) 0.1080(4) 0.092(9) Uani 1 1 d . U . . .
H32 H 0.349517 0.091249 0.114635 0.111 Uiso 1 1 calc R U . . .
C33 C 0.6064(17) 0.0835(6) 0.0787(3) 0.162(12) Uani 1 1 d G U . . .
C34 C 0.667(2) 0.0670(5) 0.0797(3) 0.196(14) Uani 1 1 d G U . . .
H34 H 0.661458 0.056679 0.086635 0.235 Uiso 1 1 calc R U . . .
C35 C 0.737(2) 0.0661(6) 0.0703(4) 0.201(14) Uani 1 1 d G U . . .
H35 H 0.778208 0.055062 0.070941 0.241 Uiso 1 1 calc R U . . .
C36 C 0.7463(17) 0.0816(6) 0.0599(3) 0.170(12) Uani 1 1 d G U . . .
C37 C 0.685(2) 0.0980(6) 0.0590(3) 0.188(14) Uani 1 1 d G U . . .
H37 H 0.691307 0.108397 0.052040 0.226 Uiso 1 1 calc R U . . .
C38 C 0.615(2) 0.0990(5) 0.0684(4) 0.195(14) Uani 1 1 d G U . . .
H38 H 0.574556 0.110015 0.067735 0.235 Uiso 1 1 calc R U . . .
N39 N 0.815(2) 0.0818(7) 0.0504(3) 0.147(10) Uani 1 1 d . U . . .
H39 H 0.820705 0.093331 0.045591 0.177 Uiso 1 1 calc R U . . .
C40 C 0.872(4) 0.0669(5) 0.0479(4) 0.131(11) Uani 1 1 d D U . . .
O41 O 0.8854(17) 0.0533(5) 0.0565(3) 0.111(8) Uani 1 1 d D U . . .
N42 N 1.015(2) 0.0594(4) 0.0401(2) 0.134(9) Uani 1 1 d G U . . .
C43 C 0.9401(17) 0.0717(5) 0.0382(3) 0.140(10) Uani 1 1 d G U . . .
C44 C 0.9371(18) 0.0868(5) 0.0275(3) 0.175(13) Uani 1 1 d G U . . .
H44 H 0.886822 0.095041 0.026249 0.210 Uiso 1 1 calc R U . . .
C45 C 1.009(3) 0.0895(5) 0.0187(3) 0.187(13) Uani 1 1 d G U . . .
H45 H 1.007145 0.099612 0.011526 0.224 Uiso 1 1 calc R U . . .
C46 C 1.0842(19) 0.0772(5) 0.0206(3) 0.181(13) Uani 1 1 d G U . . .
H46 H 1.132471 0.079011 0.014679 0.218 Uiso 1 1 calc R U . . .
C47 C 1.0872(17) 0.0621(4) 0.0313(3) 0.151(11) Uani 1 1 d G U . . .
C48 C 1.167(4) 0.0470(6) 0.0348(4) 0.157(12) Uani 1 1 d D U . . .
O49 O 1.148(2) 0.0362(5) 0.0449(4) 0.156(10) Uani 1 1 d D U . . .
N50 N 1.219(2) 0.0442(7) 0.0259(5) 0.178(12) Uani 1 1 d . U . . .
H50 H 1.211158 0.050760 0.018066 0.214 Uiso 1 1 calc R U . . .
C51 C 1.294(2) 0.0310(7) 0.0268(5) 0.235(14) Uani 1 1 d G U . . .
C52 C 1.302(3) 0.0148(9) 0.0366(5) 0.267(16) Uani 1 1 d G U . . .
H52 H 1.256898 0.012366 0.043080 0.320 Uiso 1 1 calc R U . . .
C53 C 1.377(4) 0.0022(7) 0.0369(5) 0.297(18) Uani 1 1 d G U . . .
H53 H 1.382426 -0.008703 0.043504 0.356 Uiso 1 1 calc R U . . .
C54 C 1.444(2) 0.0058(7) 0.0273(5) 0.296(17) Uani 1 1 d DG U . . .
C55 C 1.436(3) 0.0220(9) 0.0174(5) 0.286(17) Uani 1 1 d G U . . .
H55 H 1.481384 0.024432 0.010955 0.344 Uiso 1 1 calc R U . . .
C56 C 1.361(4) 0.0346(7) 0.0171(4) 0.270(16) Uani 1 1 d G U . . .
H56 H 1.355857 0.045500 0.010532 0.324 Uiso 1 1 calc R U . . .
C57 C 1.526(3) -0.0081(8) 0.0285(6) 0.31(2) Uani 1 1 d D U . . .
H57 H 1.530670 -0.018789 0.035294 0.372 Uiso 1 1 calc R U . . .
C58 C 1.593(4) -0.0038(13) 0.0187(8) 0.38(4) Uiso 1 1 d D U . . .
H58A H 1.585610 0.006996 0.012108 0.452 Uiso 1 1 calc R U . . .
H58B H 1.644747 -0.011699 0.018880 0.452 Uiso 1 1 calc R U . . .
C59 C 0.335(3) 0.1179(7) 0.0953(5) 0.127(10) Uani 1 1 d . U . . .
C60 C 0.321(3) 0.1289(7) 0.0829(5) 0.156(12) Uani 1 1 d . U . . .
H60 H 0.355099 0.125045 0.075268 0.187 Uiso 1 1 calc R U . . .
C61 C 0.262(3) 0.1443(7) 0.0808(5) 0.158(12) Uani 1 1 d . U . . .
H61 H 0.256961 0.150450 0.071983 0.189 Uiso 1 1 calc R U . . .
C62 C 0.211(3) 0.1511(7) 0.0915(5) 0.132(11) Uani 1 1 d . U . . .
C63 C 0.221(3) 0.1416(7) 0.1039(5) 0.133(12) Uani 1 1 d . U . . .
H63 H 0.188344 0.145658 0.111802 0.160 Uiso 1 1 calc R U . . .
C64 C 0.281(3) 0.1254(7) 0.1043(5) 0.145(12) Uani 1 1 d . U . . .
H64 H 0.282396 0.118394 0.112942 0.174 Uiso 1 1 calc R U . . .
N65 N 0.1469(19) 0.1683(5) 0.0901(3) 0.111(9) Uani 1 1 d . U . . .
H65 H 0.107827 0.169496 0.096553 0.133 Uiso 1 1 calc R U . . .
C66 C 0.144(2) 0.1816(8) 0.0799(3) 0.118(10) Uani 1 1 d D U . . .
O67 O 0.2056(17) 0.1861(4) 0.0725(2) 0.112(8) Uani 1 1 d D U . . .
N68 N 0.1093(14) 0.2192(6) 0.07509(19) 0.150(10) Uani 1 1 d G U . . .
C69 C 0.0827(18) 0.2007(4) 0.0820(3) 0.136(10) Uani 1 1 d G U . . .
C70 C 0.006(2) 0.2007(5) 0.0899(3) 0.158(12) Uani 1 1 d G U . . .
H70 H -0.011941 0.188314 0.094504 0.190 Uiso 1 1 calc R U . . .
C71 C -0.0446(16) 0.2191(6) 0.0909(3) 0.177(13) Uani 1 1 d G U . . .
H71 H -0.096011 0.219102 0.096232 0.212 Uiso 1 1 calc R U . . .
C72 C -0.018(2) 0.2376(5) 0.0840(3) 0.188(13) Uani 1 1 d G U . . .
H72 H -0.051716 0.249940 0.084741 0.225 Uiso 1 1 calc R U . . .
C73 C 0.059(2) 0.2376(4) 0.0761(3) 0.169(11) Uani 1 1 d G U . . .
C74 C 0.093(3) 0.2544(10) 0.0689(4) 0.187(12) Uani 1 1 d D U . . .
O75 O 0.162(2) 0.2524(5) 0.0622(3) 0.175(11) Uani 1 1 d D U . . .
N76 N 0.045(3) 0.2701(7) 0.0662(5) 0.227(13) Uani 1 1 d D U . . .
H76 H -0.006429 0.271177 0.069988 0.273 Uiso 1 1 calc R U . . .
C77 C 0.080(2) 0.2888(5) 0.0550(4) 0.274(16) Uani 1 1 d G U . . .
C78 C 0.156(3) 0.3001(7) 0.0580(5) 0.303(18) Uani 1 1 d DG U . . .
H78 H 0.187562 0.297265 0.066228 0.364 Uiso 1 1 calc R U . . .
C79 C 0.186(3) 0.3157(7) 0.0488(6) 0.316(19) Uani 1 1 d G U . . .
H79 H 0.237224 0.323262 0.050776 0.380 Uiso 1 1 calc R U . . .
C80 C 0.139(4) 0.3199(6) 0.0365(5) 0.332(19) Uani 1 1 d DG U . . .
C81 C 0.063(4) 0.3086(8) 0.0335(4) 0.325(19) Uani 1 1 d G U . . .
H81 H 0.031838 0.311481 0.025299 0.390 Uiso 1 1 calc R U . . .
C82 C 0.033(3) 0.2931(7) 0.0428(5) 0.311(18) Uani 1 1 d DG U . . .
H82 H -0.017826 0.285483 0.040751 0.373 Uiso 1 1 calc R U . . .
C83 C 0.178(4) 0.3376(7) 0.0274(6) 0.34(2) Uani 1 1 d D U . . .
H83 H 0.228999 0.344904 0.030110 0.412 Uiso 1 1 calc R U . . .
C84 C 0.134(6) 0.3424(11) 0.0147(6) 0.41(4) Uiso 1 1 d D U . . .
H84A H 0.083040 0.334922 0.012243 0.497 Uiso 1 1 calc R U . . .
H84B H 0.154799 0.353102 0.008792 0.497 Uiso 1 1 calc R U . . .
CL1_1 Cl 0.712(2) -0.0024(5) 0.1624(3) 0.425(19) Uani 1 1 d D U . . .
O2_1 O 0.722(4) -0.0186(10) 0.1761(5) 0.48(3) Uani 1 1 d D U . . .
O3_1 O 0.609(3) -0.0029(10) 0.1568(6) 0.41(3) Uani 1 1 d D U . . .
O4_1 O 0.738(4) 0.0223(8) 0.1671(7) 0.50(3) Uani 1 1 d D U . . .
O5_1 O 0.778(4) -0.0102(11) 0.1496(6) 0.46(3) Uani 1 1 d D U . . .
CL6_1 Cl 1.2093(16) 0.0653(4) -0.0160(3) 0.324(14) Uani 1 1 d D U . . .
O7_1 O 1.222(3) 0.0611(9) 0.0009(4) 0.36(2) Uani 1 1 d D U . . .
O8_1 O 1.296(3) 0.0553(9) -0.0242(6) 0.43(3) Uani 1 1 d D U . . .
O9_1 O 1.117(3) 0.0564(8) -0.0225(5) 0.35(2) Uani 1 1 d D U . . .
O10_1 O 1.212(4) 0.0918(6) -0.0188(7) 0.43(3) Uani 1 1 d D U . . .
CL11_1 Cl 0.125000 0.1885(4) 0.125000 0.183(9) Uani 1 2 d DS TU P . .
O12_1 O 0.056(2) 0.1743(5) 0.1160(3) 0.178(12) Uani 1 1 d D U . . .
O13_1 O 0.184(3) 0.2018(6) 0.1128(3) 0.234(15) Uani 1 1 d D U . . .
CL14_1 Cl 0.625000 0.125000 0.125000 0.63(7) Uani 1 4 d DS TU P . .
O15_1 O 0.561(8) 0.1137(19) 0.1369(10) 0.61(7) Uani 1 1 d 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 O41 2.38(3) 14_545 ?
EU1 O11 2.40(3) 8_544 ?
EU1 O67 2.42(3) . ?
EU1 N68 2.45(2) . ?
EU1 O75 2.45(3) . ?
EU1 O19 2.45(3) 8_544 ?
EU1 O49 2.47(3) 14_545 ?
EU1 N12 2.50(2) 8_544 ?
EU1 N42 2.50(3) 14_545 ?
EU1 C10 3.16(5) 8_544 ?
EU1 C40 3.26(5) 14_545 ?
C1 C2 1.40(2) . ?
C2 C3 1.52(2) . ?
C3 C4 1.3900 . ?
C3 C8 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C6 N9 1.40(4) . ?
C7 C8 1.3900 . ?
N9 C10 1.48(5) . ?
C10 O11 1.20(2) . ?
C10 C13 1.47(5) . ?
C10 EU1 3.16(5) 8_544 ?
O11 EU1 2.40(3) 8_544 ?
N12 C13 1.3900 . ?
N12 C17 1.3900 . ?
N12 EU1 2.50(2) 8_544 ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.43(5) . ?
C18 O19 1.22(2) . ?
C18 N20 1.28(5) . ?
O19 EU1 2.45(3) 8_544 ?
N20 C21 1.38(3) . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C24 C27 1.46(4) . ?
C25 C26 1.3900 . ?
C27 C28 1.40(4) . ?
C27 C32 1.47(5) . ?
C28 C29 1.43(5) . ?
C29 C30 1.41(5) . ?
C29 C33 1.49(5) . ?
C30 C31 1.34(4) . ?
C31 C32 1.35(4) . ?
C31 C59 1.40(5) . ?
C33 C34 1.3900 . ?
C33 C38 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C36 N39 1.38(4) . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
N39 C40 1.30(5) . ?
C40 O41 1.20(2) . ?
C40 C43 1.42(5) . ?
C40 EU1 3.26(5) 14_545 ?
O41 EU1 2.38(3) 14_545 ?
N42 C43 1.3900 . ?
N42 C47 1.3900 . ?
N42 EU1 2.50(3) 14_545 ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.58(6) . ?
C48 N50 1.18(5) . ?
C48 O49 1.21(2) . ?
O49 EU1 2.47(3) 14_545 ?
N50 C51 1.40(5) . ?
C51 C52 1.3900 . ?
C51 C56 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C54 C55 1.3900 . ?
C54 C57 1.52(2) . ?
C55 C56 1.3900 . ?
C57 C58 1.41(2) . ?
C59 C64 1.28(5) . ?
C59 C60 1.38(5) . ?
C60 C61 1.32(5) . ?
C61 C62 1.34(5) . ?
C62 C63 1.33(5) . ?
C62 N65 1.46(5) . ?
C63 C64 1.36(5) . ?
N65 C66 1.28(4) . ?
C66 O67 1.20(2) . ?
C66 C69 1.53(5) . ?
N68 C69 1.3900 . ?
N68 C73 1.3900 . ?
C69 C70 1.3900 . ?
C70 C71 1.3900 . ?
C71 C72 1.3900 . ?
C72 C73 1.3900 . ?
C73 C74 1.36(6) . ?
C74 O75 1.23(2) . ?
C74 N76 1.25(5) . ?
N76 C77 1.67(5) . ?
C77 C78 1.3900 . ?
C77 C82 1.3900 . ?
C78 C79 1.3900 . ?
C79 C80 1.3900 . ?
C80 C81 1.3900 . ?
C80 C83 1.52(2) . ?
C81 C82 1.3900 . ?
C83 C84 1.42(2) . ?
CL1_1 O2_1 1.65(2) . ?
CL1_1 O3_1 1.65(2) . ?
CL1_1 O5_1 1.66(2) . ?
CL1_1 O4_1 1.66(2) . ?
CL6_1 O9_1 1.63(2) . ?
CL6_1 O7_1 1.64(2) . ?
CL6_1 O8_1 1.66(2) . ?
CL6_1 O10_1 1.69(2) . ?
CL11_1 O12_1 1.63(2) 11_454 ?
CL11_1 O12_1 1.63(2) . ?
CL11_1 O13_1 1.68(2) 11_454 ?
CL11_1 O13_1 1.68(2) . ?
CL14_1 O15_1 1.65(3) 14_545 ?
CL14_1 O15_1 1.65(2) 8_544 ?
CL14_1 O15_1 1.65(2) 11_554 ?
CL14_1 O15_1 1.65(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
O41 EU1 O11 96.6(8) 14_545 8_544 ?
O41 EU1 O67 75.3(8) 14_545 . ?
O11 EU1 O67 152.4(10) 8_544 . ?
O41 EU1 N68 136.8(9) 14_545 . ?
O11 EU1 N68 126.0(9) 8_544 . ?
O67 EU1 N68 63.3(11) . . ?
O41 EU1 O75 152.4(10) 14_545 . ?
O11 EU1 O75 72.4(11) 8_544 . ?
O67 EU1 O75 125.6(11) . . ?
N68 EU1 O75 62.6(11) . . ?
O41 EU1 O19 71.2(9) 14_545 8_544 ?
O11 EU1 O19 127.4(11) 8_544 8_544 ?
O67 EU1 O19 75.6(9) . 8_544 ?
N68 EU1 O19 86.3(8) . 8_544 ?
O75 EU1 O19 95.1(9) . 8_544 ?
O41 EU1 O49 123.7(12) 14_545 14_545 ?
O11 EU1 O49 70.1(9) 8_544 14_545 ?
O67 EU1 O49 92.3(8) . 14_545 ?
N68 EU1 O49 72.1(9) . 14_545 ?
O75 EU1 O49 77.1(11) . 14_545 ?
O19 EU1 O49 158.2(11) 8_544 14_545 ?
O41 EU1 N12 77.4(8) 14_545 8_544 ?
O11 EU1 N12 65.3(11) 8_544 8_544 ?
O67 EU1 N12 135.1(9) . 8_544 ?
N68 EU1 N12 124.2(8) . 8_544 ?
O75 EU1 N12 75.0(9) . 8_544 ?
O19 EU1 N12 62.1(10) 8_544 8_544 ?
O49 EU1 N12 132.6(9) 14_545 8_544 ?
O41 EU1 N42 62.6(11) 14_545 14_545 ?
O11 EU1 N42 74.0(9) 8_544 14_545 ?
O67 EU1 N42 78.9(7) . 14_545 ?
N68 EU1 N42 117.4(8) . 14_545 ?
O75 EU1 N42 133.2(10) . 14_545 ?
O19 EU1 N42 131.5(10) 8_544 14_545 ?
O49 EU1 N42 61.1(13) 14_545 14_545 ?
N12 EU1 N42 117.9(8) 8_544 14_545 ?
O41 EU1 C10 91.2(7) 14_545 8_544 ?
O11 EU1 C10 19.3(10) 8_544 8_544 ?
O67 EU1 C10 164.2(9) . 8_544 ?
N68 EU1 C10 131.5(9) . 8_544 ?
O75 EU1 C10 69.9(10) . 8_544 ?
O19 EU1 C10 108.2(12) 8_544 8_544 ?
O49 EU1 C10 88.5(10) 14_545 8_544 ?
N12 EU1 C10 46.0(11) 8_544 8_544 ?
N42 EU1 C10 87.7(8) 14_545 8_544 ?
O41 EU1 C40 16.8(11) 14_545 14_545 ?
O11 EU1 C40 89.7(8) 8_544 14_545 ?
O67 EU1 C40 75.0(7) . 14_545 ?
N68 EU1 C40 138.1(9) . 14_545 ?
O75 EU1 C40 159.3(9) . 14_545 ?
O19 EU1 C40 87.6(11) 8_544 14_545 ?
O49 EU1 C40 106.9(13) 14_545 14_545 ?
N12 EU1 C40 88.3(8) 8_544 14_545 ?
N42 EU1 C40 45.8(12) 14_545 14_545 ?
C10 EU1 C40 89.7(6) 8_544 14_545 ?
C1 C2 C3 116(3) . . ?
C4 C3 C8 120.0 . . ?
C4 C3 C2 126(3) . . ?
C8 C3 C2 114(3) . . ?
C5 C4 C3 120.0 . . ?
C4 C5 C6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 N9 117(4) . . ?
C5 C6 N9 123(4) . . ?
C8 C7 C6 120.0 . . ?
C7 C8 C3 120.0 . . ?
C6 N9 C10 131(4) . . ?
O11 C10 C13 128(5) . . ?
O11 C10 N9 113(4) . . ?
C13 C10 N9 114(3) . . ?
O11 C10 EU1 41(3) . 8_544 ?
C13 C10 EU1 87(3) . 8_544 ?
N9 C10 EU1 145(2) . 8_544 ?
C10 O11 EU1 119(4) . 8_544 ?
C13 N12 C17 120.0 . . ?
C13 N12 EU1 119.9(18) . 8_544 ?
C17 N12 EU1 120.1(18) . 8_544 ?
N12 C13 C14 120.0 . . ?
N12 C13 C10 107(3) . . ?
C14 C13 C10 133(3) . . ?
C15 C14 C13 120.0 . . ?
C14 C15 C16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C16 C17 N12 120.0 . . ?
C16 C17 C18 126(3) . . ?
N12 C17 C18 114(3) . . ?
O19 C18 N20 124(5) . . ?
O19 C18 C17 117(5) . . ?
N20 C18 C17 116(4) . . ?
C18 O19 EU1 127(4) . 8_544 ?
C18 N20 C21 126(4) . . ?
N20 C21 C22 115(3) . . ?
N20 C21 C26 125(3) . . ?
C22 C21 C26 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 C27 124(3) . . ?
C23 C24 C27 116(3) . . ?
C24 C25 C26 120.0 . . ?
C25 C26 C21 120.0 . . ?
C28 C27 C24 127(4) . . ?
C28 C27 C32 112(4) . . ?
C24 C27 C32 120(4) . . ?
C27 C28 C29 126(4) . . ?
C30 C29 C28 115(4) . . ?
C30 C29 C33 122(4) . . ?
C28 C29 C33 123(4) . . ?
C31 C30 C29 122(5) . . ?
C30 C31 C32 120(5) . . ?
C30 C31 C59 120(5) . . ?
C32 C31 C59 119(5) . . ?
C31 C32 C27 123(4) . . ?
C34 C33 C38 120.0 . . ?
C34 C33 C29 120(3) . . ?
C38 C33 C29 120(3) . . ?
C33 C34 C35 120.0 . . ?
C36 C35 C34 120.0 . . ?
N39 C36 C35 123(3) . . ?
N39 C36 C37 117(3) . . ?
C35 C36 C37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C37 C38 C33 120.0 . . ?
C40 N39 C36 128(4) . . ?
O41 C40 N39 120(5) . . ?
O41 C40 C43 118(5) . . ?
N39 C40 C43 117(4) . . ?
O41 C40 EU1 35(3) . 14_545 ?
N39 C40 EU1 150(3) . 14_545 ?
C43 C40 EU1 83(3) . 14_545 ?
C40 O41 EU1 128(4) . 14_545 ?
C43 N42 C47 120.0 . . ?
C43 N42 EU1 118(2) . 14_545 ?
C47 N42 EU1 122(2) . 14_545 ?
C44 C43 N42 120.0 . . ?
C44 C43 C40 127(3) . . ?
N42 C43 C40 113(3) . . ?
C45 C44 C43 120.0 . . ?
C44 C45 C46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C46 C47 N42 120.0 . . ?
C46 C47 C48 126(3) . . ?
N42 C47 C48 114(3) . . ?
N50 C48 O49 130(6) . . ?
N50 C48 C47 117(5) . . ?
O49 C48 C47 109(5) . . ?
C48 O49 EU1 134(4) . 14_545 ?
C48 N50 C51 126(6) . . ?
C52 C51 C56 120.0 . . ?
C52 C51 N50 123(5) . . ?
C56 C51 N50 117(5) . . ?
C53 C52 C51 120.0 . . ?
C52 C53 C54 120.0 . . ?
C55 C54 C53 120.00(5) . . ?
C55 C54 C57 123(4) . . ?
C53 C54 C57 117(4) . . ?
C54 C55 C56 120.0 . . ?
C55 C56 C51 120.0 . . ?
C58 C57 C54 115(4) . . ?
C64 C59 C60 106(5) . . ?
C64 C59 C31 130(5) . . ?
C60 C59 C31 123(5) . . ?
C61 C60 C59 127(5) . . ?
C60 C61 C62 120(5) . . ?
C63 C62 C61 118(5) . . ?
C63 C62 N65 119(5) . . ?
C61 C62 N65 123(5) . . ?
C62 C63 C64 115(5) . . ?
C59 C64 C63 133(5) . . ?
C66 N65 C62 125(4) . . ?
O67 C66 N65 124(4) . . ?
O67 C66 C69 112(4) . . ?
N65 C66 C69 116(3) . . ?
C66 O67 EU1 130(3) . . ?
C69 N68 C73 120.0 . . ?
C69 N68 EU1 119.7(19) . . ?
C73 N68 EU1 120.0(19) . . ?
N68 C69 C70 120.0 . . ?
N68 C69 C66 114(3) . . ?
C70 C69 C66 126(3) . . ?
C71 C70 C69 120.0 . . ?
C72 C71 C70 120.0 . . ?
C71 C72 C73 120.0 . . ?
C74 C73 C72 126(4) . . ?
C74 C73 N68 114(4) . . ?
C72 C73 N68 120.0 . . ?
O75 C74 N76 118(6) . . ?
O75 C74 C73 120(6) . . ?
N76 C74 C73 119(4) . . ?
C74 O75 EU1 123(4) . . ?
C74 N76 C77 120(4) . . ?
C78 C77 C82 120.0 . . ?
C78 C77 N76 120(2) . . ?
C82 C77 N76 120(2) . . ?
C79 C78 C77 120.0 . . ?
C78 C79 C80 120.0 . . ?
C81 C80 C79 120.0 . . ?
C81 C80 C83 125(4) . . ?
C79 C80 C83 115(4) . . ?
C82 C81 C80 120.0 . . ?
C81 C82 C77 120.0 . . ?
C84 C83 C80 117(4) . . ?
O2_1 CL1_1 O3_1 109.3(12) . . ?
O2_1 CL1_1 O5_1 109.9(12) . . ?
O3_1 CL1_1 O5_1 109.2(12) . . ?
O2_1 CL1_1 O4_1 109.9(12) . . ?
O3_1 CL1_1 O4_1 109.5(12) . . ?
O5_1 CL1_1 O4_1 109.2(12) . . ?
O9_1 CL6_1 O7_1 115(2) . . ?
O9_1 CL6_1 O8_1 112(2) . . ?
O7_1 CL6_1 O8_1 108(2) . . ?
O9_1 CL6_1 O10_1 107(2) . . ?
O7_1 CL6_1 O10_1 108(2) . . ?
O8_1 CL6_1 O10_1 106(2) . . ?
O12_1 CL11_1 O12_1 114(3) 11_454 . ?
O12_1 CL11_1 O13_1 104.5(16) 11_454 11_454 ?
O12_1 CL11_1 O13_1 107.0(18) . 11_454 ?
O12_1 CL11_1 O13_1 107.0(18) 11_454 . ?
O12_1 CL11_1 O13_1 104.5(16) . . ?
O13_1 CL11_1 O13_1 121(3) 11_454 . ?
O15_1 CL14_1 O15_1 129(9) 14_545 8_544 ?
O15_1 CL14_1 O15_1 108(10) 14_545 11_554 ?
O15_1 CL14_1 O15_1 93(9) 8_544 11_554 ?
O15_1 CL14_1 O15_1 93(9) 14_545 . ?
O15_1 CL14_1 O15_1 108(10) 8_544 . ?
O15_1 CL14_1 O15_1 129(9) 11_554 . ?

_refine_diff_density_max         1.029
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.149




# start Validation Reply Form
_vrf_PLAT023_fddd_sq             
;
PROBLEM: Ratio of reflections to parameters is < 6 for a
RESPONSE: The crystals of this giant supramolecular assembly diffract
very weekly in nature. There was just no significant diffraction intensity
at high angles (Theta > 15.3) even though we optimized the measurement
based on synchrotron radiations. The main purpose of providing such a poor
crystal structure is to confirm the successful self-assembly of the 
tetrahedral complex.
;
_vrf_THETM01_fddd_sq             
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystals of this giant supramolecular assembly diffract
very weekly in nature. There was just no significant diffraction intensity
at high angles (Theta > 15.3) even though we optimized the measurement
based on synchrotron radiations. The main purpose of providing such a poor
crystal structure is to confirm the successful self-assembly of the 
tetrahedral complex.
;
_vrf_PLAT260_fddd_sq             
;
PROBLEM: Large Average Ueq of Residue Including CL1# 0.453 Check
RESPONSE: As stated above, the data quality is not satisfactory due to the
poor diffracting nature of such giant supramolecular systems. During the 
refinement, a lot of constrains and restraints have to to be applied due 
to the poor data/parameter ratio. Thus to discussion on the the details 
of bond length and angles is not reliable in such a case.
;
_vrf_PLAT084_fddd_sq             
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.48 Report
RESPONSE: As stated above, this crystal structure is poorly diffracting in 
nature. Although the data quality is not satisfactory to discuss the details
of bond length and angles, it provides solid proof for the intagerity of the
of the tetrahedral complex.
;
_vrf_PLAT088_fddd_sq             
;
PROBLEM: Poor Data / Parameter Ratio ....................       5.46 Note
RESPONSE: As stated above, there was just no significant diffraction
intensity at high angles (Theta > 18) even though we optimized the
measurement based on synchrotron radiations.
;
_vrf_PLAT411_fddd_sq             
;
PROBLEM: Short Inter H...H Contact   H2     ..  H58B    .       1.68 Ang.
RESPONSE: As stated above, the data quality is not satisfactory due to the
poor diffracting nature of such giant supramolecular systems. During the 
refinement, a lot of constrains and restraints have to to be applied due 
to the poor data/parameter ratio. Thus to discussion on the the details 
of bond length and angles is not reliable in such a case.
;
# end Validation Reply Form
_chemical_properties_physical    Air-sensitive
_exptl_crystal_preparation       Luminescent
