# Electronic Supplementary Material (ESI) for ChemComm.
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1045373'
_audit_update_record             
;
2015-01-25 deposited with the CCDC.
2015-03-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H40 Ag0 Cl7 F0 N5 O11 P0 Sb U Zn0'
_chemical_formula_weight         1434.75

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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   10.3488(5)
_cell_length_b                   15.1997(7)
_cell_length_c                   16.7191(6)
_cell_angle_alpha                89.696(2)
_cell_angle_beta                 77.054(2)
_cell_angle_gamma                84.978(2)
_cell_volume                     2552.93(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    163(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1390
_exptl_absorpt_coefficient_mu    4.126
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      163(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36741
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.25
_diffrn_reflns_theta_max         25.00
_reflns_number_total             8963
_reflns_number_gt                7166
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0678P)²+28.9205P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8963
_refine_ls_number_parameters     637
_refine_ls_number_restraints     411
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0560
_refine_ls_wR_factor_ref         0.1522
_refine_ls_wR_factor_gt          0.1351
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.145
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5018(8) -0.0833(6) 0.1025(5) 0.0246(19) Uani 1 1 d U . .
C2 C 0.6007(9) -0.1531(6) 0.0633(6) 0.030(2) Uani 1 1 d U . .
C3 C 0.6938(9) -0.1622(6) 0.1099(6) 0.030(2) Uani 1 1 d U . .
C4 C 0.6521(9) -0.0982(6) 0.1774(6) 0.028(2) Uani 1 1 d U . .
C5 C 0.6978(8) -0.0763(6) 0.2463(6) 0.030(2) Uani 1 1 d U . .
C6 C 0.8107(9) -0.1055(6) 0.2812(6) 0.029(2) Uani 1 1 d U . .
C7 C 0.7953(9) -0.0561(6) 0.3518(6) 0.030(2) Uani 1 1 d U . .
C8 C 0.6705(9) 0.0012(6) 0.3601(6) 0.030(2) Uani 1 1 d U . .
C9 C 0.6011(9) 0.0643(6) 0.4218(6) 0.028(2) Uani 1 1 d U . .
C10 C 0.6415(10) 0.0821(7) 0.4939(6) 0.039(2) Uani 1 1 d U . .
H10 H 0.7214 0.0527 0.5035 0.046 Uiso 1 1 calc R . .
C11 C 0.5675(10) 0.1409(7) 0.5502(6) 0.039(2) Uani 1 1 d U . .
H11 H 0.5943 0.1522 0.5997 0.047 Uiso 1 1 calc R . .
C12 C 0.4535(11) 0.1838(7) 0.5350(6) 0.041(2) Uani 1 1 d U . .
H12 H 0.4006 0.2256 0.5734 0.049 Uiso 1 1 calc R . .
C13 C 0.4165(10) 0.1652(6) 0.4625(6) 0.033(2) Uani 1 1 d U . .
C14 C 0.2969(10) 0.2093(6) 0.4415(6) 0.033(2) Uani 1 1 d U A .
C15 C 0.1993(11) 0.2730(7) 0.4804(6) 0.042(3) Uani 1 1 d U A .
C16 C 0.1140(10) 0.2943(6) 0.4224(6) 0.045(3) Uani 1 1 d DU . .
C17 C 0.1622(10) 0.2267(7) 0.3565(6) 0.034(2) Uani 1 1 d U A .
C18 C 0.1167(9) 0.2044(6) 0.2854(6) 0.031(2) Uani 1 1 d U . .
C19 C 0.0040(9) 0.2285(6) 0.2510(6) 0.033(2) Uani 1 1 d U A .
C20 C 0.0161(9) 0.1739(6) 0.1830(6) 0.029(2) Uani 1 1 d U . .
C21 C 0.1380(8) 0.1195(6) 0.1768(5) 0.0262(19) Uani 1 1 d U A .
C22 C 0.2067(8) 0.0544(6) 0.1195(5) 0.0242(19) Uani 1 1 d U . .
C23 C 0.1963(9) 0.0127(6) 0.0486(5) 0.027(2) Uani 1 1 d U A .
H23 H 0.1264 0.0240 0.0206 0.033 Uiso 1 1 calc R . .
C24 C 0.3069(9) -0.0495(6) 0.0251(6) 0.029(2) Uani 1 1 d U . .
H24 H 0.3260 -0.0874 -0.0219 0.035 Uiso 1 1 calc R A .
C25 C 0.3830(8) -0.0454(6) 0.0831(5) 0.0261(19) Uani 1 1 d U A .
C26 C 0.5956(9) -0.2034(7) -0.0109(6) 0.033(2) Uani 1 1 d U . .
C27 C 0.6910(12) -0.3259(8) -0.0965(7) 0.050(3) Uani 1 1 d U . .
H27A H 0.7045 -0.2907 -0.1472 0.060 Uiso 1 1 calc R . .
H27B H 0.6053 -0.3525 -0.0895 0.060 Uiso 1 1 calc R . .
C28 C 0.7999(17) -0.3948(10) -0.1019(11) 0.087(5) Uani 1 1 d U . .
H28A H 0.8805 -0.3681 -0.0967 0.131 Uiso 1 1 calc R . .
H28B H 0.8162 -0.4256 -0.1550 0.131 Uiso 1 1 calc R . .
H28C H 0.7762 -0.4369 -0.0576 0.131 Uiso 1 1 calc R . .
C29 C 0.8207(10) -0.2228(7) 0.0862(6) 0.037(2) Uani 1 1 d U . .
C30 C 0.9221(11) -0.3654(8) 0.1022(8) 0.052(3) Uani 1 1 d U . .
H30A H 0.9996 -0.3426 0.1182 0.062 Uiso 1 1 calc R . .
H30B H 0.9458 -0.3788 0.0426 0.062 Uiso 1 1 calc R . .
C31 C 0.8837(15) -0.4448(9) 0.1488(11) 0.083(5) Uani 1 1 d U . .
H31A H 0.8663 -0.4314 0.2077 0.124 Uiso 1 1 calc R . .
H31B H 0.9561 -0.4920 0.1346 0.124 Uiso 1 1 calc R . .
H31C H 0.8031 -0.4640 0.1353 0.124 Uiso 1 1 calc R . .
C32 C 0.9252(9) -0.1692(7) 0.2445(6) 0.038(2) Uani 1 1 d U . .
H32A H 0.8938 -0.2166 0.2153 0.045 Uiso 1 1 calc R . .
H32B H 0.9635 -0.1967 0.2889 0.045 Uiso 1 1 calc R . .
C33 C 1.0330(10) -0.1248(8) 0.1848(7) 0.049(3) Uani 1 1 d U . .
H33A H 0.9923 -0.0878 0.1473 0.073 Uiso 1 1 calc R . .
H33B H 1.0971 -0.1701 0.1532 0.073 Uiso 1 1 calc R . .
H33C H 1.0789 -0.0881 0.2155 0.073 Uiso 1 1 calc R . .
C34 C 0.8930(10) -0.0569(7) 0.4053(7) 0.040(2) Uani 1 1 d U . .
H34A H 0.9544 -0.1114 0.3937 0.048 Uiso 1 1 calc R . .
H34B H 0.8447 -0.0580 0.4635 0.048 Uiso 1 1 calc R . .
C35 C 0.9725(11) 0.0218(9) 0.3922(8) 0.059(3) Uani 1 1 d U . .
H35A H 1.0069 0.0295 0.3333 0.088 Uiso 1 1 calc R . .
H35B H 1.0470 0.0128 0.4195 0.088 Uiso 1 1 calc R . .
H35C H 0.9154 0.0747 0.4153 0.088 Uiso 1 1 calc R . .
C36 C 0.1811(13) 0.3195(8) 0.5619(7) 0.053(3) Uani 1 1 d U . .
H36A H 0.1985 0.2759 0.6032 0.064 Uiso 1 1 calc R A .
H36B H 0.0874 0.3447 0.5795 0.064 Uiso 1 1 calc R . .
C37 C 0.2716(16) 0.3927(9) 0.5595(9) 0.071(4) Uani 1 1 d U A .
H37A H 0.3646 0.3677 0.5458 0.106 Uiso 1 1 calc R . .
H37B H 0.2526 0.4223 0.6133 0.106 Uiso 1 1 calc R . .
H37C H 0.2564 0.4355 0.5178 0.106 Uiso 1 1 calc R . .
C40 C -0.1090(11) 0.2999(8) 0.2780(7) 0.043(3) Uani 1 1 d U . .
C41 C -0.3450(15) 0.3311(11) 0.3124(9) 0.074(4) Uani 1 1 d U . .
H41A H -0.3288 0.3800 0.2732 0.089 Uiso 1 1 calc R A .
H41B H -0.4214 0.3012 0.3026 0.089 Uiso 1 1 calc R . .
C42 C -0.3731(17) 0.3642(12) 0.3935(10) 0.092(5) Uani 1 1 d U A .
H42A H -0.3662 0.3153 0.4312 0.138 Uiso 1 1 calc R . .
H42B H -0.4634 0.3938 0.4071 0.138 Uiso 1 1 calc R . .
H42C H -0.3091 0.4065 0.3985 0.138 Uiso 1 1 calc R . .
C43 C -0.0787(9) 0.1707(6) 0.1296(5) 0.029(2) Uani 1 1 d U A .
C44 C -0.2343(10) 0.2562(7) 0.0704(6) 0.037(2) Uani 1 1 d U A .
H44A H -0.3123 0.2251 0.0974 0.044 Uiso 1 1 calc R . .
H44B H -0.1964 0.2289 0.0157 0.044 Uiso 1 1 calc R . .
C45 C -0.2754(11) 0.3547(8) 0.0624(7) 0.050(3) Uani 1 1 d U . .
H45A H -0.3182 0.3799 0.1166 0.075 Uiso 1 1 calc R . .
H45B H -0.3379 0.3618 0.0261 0.075 Uiso 1 1 calc R . .
H45C H -0.1963 0.3854 0.0392 0.075 Uiso 1 1 calc R . .
N1 N 0.5339(7) -0.0520(5) 0.1698(5) 0.0278(17) Uani 1 1 d U . .
N2 N 0.6155(7) -0.0124(5) 0.2976(5) 0.0291(17) Uani 1 1 d U . .
N3 N 0.4875(7) 0.1065(5) 0.4064(4) 0.0279(17) Uani 1 1 d U . .
N4 N 0.2718(8) 0.1823(5) 0.3671(5) 0.0335(19) Uani 1 1 d U . .
N5 N 0.1972(7) 0.1392(5) 0.2375(4) 0.0244(16) Uani 1 1 d U A .
O1 O 0.3128(6) -0.0127(4) 0.3281(4) 0.0307(14) Uani 1 1 d U . .
O2 O 0.5035(6) 0.1471(4) 0.2197(4) 0.0338(15) Uani 1 1 d U . .
O3 O 0.3211(5) 0.0191(4) 0.1415(4) 0.0247(13) Uani 1 1 d U A .
O4 O -0.0914(9) 0.3761(6) 0.2747(6) 0.061(2) Uani 1 1 d U A .
O5 O -0.2229(8) 0.2664(6) 0.3005(5) 0.061(2) Uani 1 1 d U A .
O6 O -0.1015(6) 0.1035(4) 0.0982(4) 0.0358(16) Uani 1 1 d U . .
O7 O -0.1356(6) 0.2511(4) 0.1198(4) 0.0350(16) Uani 1 1 d U . .
O8 O 0.5182(8) -0.1853(6) -0.0515(4) 0.060(2) Uani 1 1 d U . .
O9 O 0.6898(7) -0.2701(5) -0.0263(4) 0.0446(18) Uani 1 1 d U . .
O10 O 0.9182(7) -0.1996(5) 0.0418(5) 0.049(2) Uani 1 1 d U . .
O11 O 0.8062(7) -0.3004(5) 0.1222(4) 0.0415(17) Uani 1 1 d U . .
U1 U 0.40766(3) 0.06666(2) 0.27231(2) 0.02666(13) Uani 1 1 d U A .
Cl1 Cl 0.4685(4) 0.5233(3) 0.2024(3) 0.1029(16) Uani 1 1 d U . .
Cl2 Cl 0.3386(3) 0.5939(2) 0.39715(19) 0.0630(9) Uani 1 1 d U . .
Cl3 Cl 0.5463(3) 0.7127(3) 0.2718(2) 0.0699(10) Uani 1 1 d U . .
Cl4 Cl 0.2244(3) 0.7827(2) 0.3259(2) 0.0709(10) Uani 1 1 d U . .
Cl5 Cl 0.3552(4) 0.7138(3) 0.1338(2) 0.0856(12) Uani 1 1 d U . .
Cl6 Cl 0.1428(3) 0.5964(2) 0.2596(2) 0.0583(8) Uani 1 1 d U . .
Sb1 Sb 0.34702(7) 0.65083(6) 0.26478(4) 0.0459(2) Uani 1 1 d U . .
Cl7 Cl -0.0563(7) 0.2795(5) 0.4725(5) 0.1076(19) Uiso 0.78 1 d PD A 1
C38 C 0.1148(19) 0.3847(11) 0.3854(15) 0.090 Uiso 0.75 1 d PD A 1
C39 C 0.256(2) 0.3894(18) 0.335(2) 0.069(10) Uiso 0.37 1 d PD A 1
C39A C -0.005(3) 0.4386(15) 0.434(2) 0.092(14) Uiso 0.37 1 d PD A 1
Cl7A Cl 0.157(2) 0.3991(13) 0.3730(17) 0.1076(19) Uiso 0.22 1 d PD A 2
C40A C -0.029(2) 0.328(3) 0.457(4) 0.090 Uiso 0.25 1 d PD A 2
C41A C -0.099(4) 0.245(5) 0.484(6) 0.120 Uiso 0.25 1 d PD A 2


_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 N1 1.342(11) . ?
C1 C25 1.415(11) . ?
C1 C2 1.455(13) . ?
C2 C3 1.366(12) . ?
C2 C26 1.474(14) . ?
C3 C4 1.458(13) . ?
C3 C29 1.513(13) . ?
C4 N1 1.387(11) . ?
C4 C5 1.391(13) . ?
C5 N2 1.394(12) . ?
C5 C6 1.454(12) . ?
C6 C7 1.375(14) . ?
C6 C32 1.482(14) . ?
C7 C8 1.474(13) . ?
C7 C34 1.492(12) . ?
C8 N2 1.322(11) . ?
C8 C9 1.435(14) . ?
C9 N3 1.364(11) . ?
C9 C10 1.396(13) . ?
C10 C11 1.356(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.372(14) . ?
C11 H11 0.9500 . ?
C12 C13 1.386(13) . ?
C12 H12 0.9500 . ?
C13 N3 1.342(13) . ?
C13 C14 1.467(13) . ?
C14 C15 1.387(14) . ?
C14 N4 1.398(12) . ?
C15 C16 1.468(14) . ?
C15 C36 1.504(15) . ?
C16 C17 1.482(14) . ?
C16 C38 1.504(10) . ?
C16 C40A 1.505(10) . ?
C16 Cl7 1.806(11) . ?
C16 Cl7A 1.835(14) . ?
C17 N4 1.315(12) . ?
C17 C18 1.425(13) . ?
C18 N5 1.372(12) . ?
C18 C19 1.431(12) . ?
C19 C20 1.388(13) . ?
C19 C40 1.515(14) . ?
C20 C21 1.430(12) . ?
C20 C43 1.471(12) . ?
C21 N5 1.345(11) . ?
C21 C22 1.408(13) . ?
C22 C23 1.377(13) . ?
C22 O3 1.381(9) . ?
C23 C24 1.404(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(12) . ?
C24 H24 0.9500 . ?
C25 O3 1.394(11) . ?
C26 O8 1.176(11) . ?
C26 O9 1.327(11) . ?
C27 O9 1.449(13) . ?
C27 C28 1.456(17) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 O10 1.190(12) . ?
C29 O11 1.326(13) . ?
C30 O11 1.463(12) . ?
C30 C31 1.470(19) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.524(14) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.499(16) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.510(18) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C40 O4 1.188(13) . ?
C40 O5 1.301(14) . ?
C41 C42 1.41(2) . ?
C41 O5 1.508(15) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 O6 1.215(11) . ?
C43 O7 1.335(11) . ?
C44 O7 1.448(10) . ?
C44 C45 1.534(15) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
N1 U1 2.553(7) . ?
N2 U1 2.489(7) . ?
N3 U1 2.648(7) . ?
N4 U1 2.485(8) . ?
N5 U1 2.538(6) . ?
O1 U1 1.754(7) . ?
O2 U1 1.750(7) . ?
O3 U1 2.668(5) . ?
Cl1 Sb1 2.331(4) . ?
Cl2 Sb1 2.358(3) . ?
Cl3 Sb1 2.366(3) . ?
Cl4 Sb1 2.380(3) . ?
Cl5 Sb1 2.372(4) . ?
Cl6 Sb1 2.356(3) . ?
C38 C39A 1.493(10) . ?
C38 C39 1.519(10) . ?
C40A C41A 1.518(10) . ?

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
N1 C1 C25 117.1(8) . . ?
N1 C1 C2 110.7(7) . . ?
C25 C1 C2 132.3(8) . . ?
C3 C2 C1 106.2(8) . . ?
C3 C2 C26 128.5(9) . . ?
C1 C2 C26 125.3(8) . . ?
C2 C3 C4 107.2(8) . . ?
C2 C3 C29 123.2(9) . . ?
C4 C3 C29 129.4(8) . . ?
N1 C4 C5 115.3(8) . . ?
N1 C4 C3 108.5(7) . . ?
C5 C4 C3 136.2(8) . . ?
C4 C5 N2 114.5(7) . . ?
C4 C5 C6 135.9(9) . . ?
N2 C5 C6 109.6(8) . . ?
C7 C6 C5 105.7(8) . . ?
C7 C6 C32 126.8(8) . . ?
C5 C6 C32 127.3(9) . . ?
C6 C7 C8 106.8(8) . . ?
C6 C7 C34 125.5(9) . . ?
C8 C7 C34 127.5(9) . . ?
N2 C8 C9 117.4(8) . . ?
N2 C8 C7 110.1(8) . . ?
C9 C8 C7 132.4(8) . . ?
N3 C9 C10 120.6(9) . . ?
N3 C9 C8 115.0(7) . . ?
C10 C9 C8 124.4(8) . . ?
C11 C10 C9 120.4(9) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 119.2(9) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C12 C13 119.0(10) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 H12 120.5 . . ?
N3 C13 C12 122.7(9) . . ?
N3 C13 C14 115.2(8) . . ?
C12 C13 C14 122.1(10) . . ?
C15 C14 N4 111.0(8) . . ?
C15 C14 C13 133.8(9) . . ?
N4 C14 C13 115.3(8) . . ?
C14 C15 C16 105.9(9) . . ?
C14 C15 C36 130.6(9) . . ?
C16 C15 C36 123.4(10) . . ?
C15 C16 C17 103.4(8) . . ?
C15 C16 C38 118.2(13) . . ?
C17 C16 C38 109.4(12) . . ?
C15 C16 C40A 118(3) . . ?
C17 C16 C40A 126(3) . . ?
C38 C16 C40A 81(2) . . ?
C15 C16 Cl7 108.9(7) . . ?
C17 C16 Cl7 109.6(7) . . ?
C38 C16 Cl7 107.2(9) . . ?
C40A C16 Cl7 27(2) . . ?
C15 C16 Cl7A 108.8(11) . . ?
C17 C16 Cl7A 104.5(11) . . ?
C38 C16 Cl7A 13.4(11) . . ?
C40A C16 Cl7A 94(2) . . ?
Cl7 C16 Cl7A 120.4(10) . . ?
N4 C17 C18 116.6(9) . . ?
N4 C17 C16 110.3(8) . . ?
C18 C17 C16 133.1(9) . . ?
N5 C18 C17 113.6(8) . . ?
N5 C18 C19 109.1(8) . . ?
C17 C18 C19 137.2(9) . . ?
C20 C19 C18 106.8(8) . . ?
C20 C19 C40 123.5(8) . . ?
C18 C19 C40 129.7(9) . . ?
C19 C20 C21 105.9(8) . . ?
C19 C20 C43 127.2(8) . . ?
C21 C20 C43 126.9(8) . . ?
N5 C21 C22 116.4(7) . . ?
N5 C21 C20 110.6(8) . . ?
C22 C21 C20 132.9(8) . . ?
C23 C22 O3 108.5(7) . . ?
C23 C22 C21 140.6(8) . . ?
O3 C22 C21 110.8(7) . . ?
C22 C23 C24 108.1(7) . . ?
C22 C23 H23 125.9 . . ?
C24 C23 H23 125.9 . . ?
C25 C24 C23 107.3(8) . . ?
C25 C24 H24 126.4 . . ?
C23 C24 H24 126.4 . . ?
C24 C25 O3 108.3(7) . . ?
C24 C25 C1 141.6(9) . . ?
O3 C25 C1 110.1(7) . . ?
O8 C26 O9 124.7(9) . . ?
O8 C26 C2 123.6(9) . . ?
O9 C26 C2 111.7(8) . . ?
O9 C27 C28 107.5(10) . . ?
O9 C27 H27A 110.2 . . ?
C28 C27 H27A 110.2 . . ?
O9 C27 H27B 110.2 . . ?
C28 C27 H27B 110.2 . . ?
H27A C27 H27B 108.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O10 C29 O11 127.2(9) . . ?
O10 C29 C3 121.8(10) . . ?
O11 C29 C3 111.0(8) . . ?
O11 C30 C31 106.2(10) . . ?
O11 C30 H30A 110.5 . . ?
C31 C30 H30A 110.5 . . ?
O11 C30 H30B 110.5 . . ?
C31 C30 H30B 110.5 . . ?
H30A C30 H30B 108.7 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C6 C32 C33 111.9(9) . . ?
C6 C32 H32A 109.2 . . ?
C33 C32 H32A 109.2 . . ?
C6 C32 H32B 109.2 . . ?
C33 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C7 C34 C35 112.2(9) . . ?
C7 C34 H34A 109.2 . . ?
C35 C34 H34A 109.2 . . ?
C7 C34 H34B 109.2 . . ?
C35 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C15 C36 C37 113.1(11) . . ?
C15 C36 H36A 109.0 . . ?
C37 C36 H36A 109.0 . . ?
C15 C36 H36B 109.0 . . ?
C37 C36 H36B 109.0 . . ?
H36A C36 H36B 107.8 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O4 C40 O5 126.6(11) . . ?
O4 C40 C19 122.0(11) . . ?
O5 C40 C19 111.4(10) . . ?
C42 C41 O5 108.2(12) . . ?
C42 C41 H41A 110.1 . . ?
O5 C41 H41A 110.1 . . ?
C42 C41 H41B 110.1 . . ?
O5 C41 H41B 110.1 . . ?
H41A C41 H41B 108.4 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O6 C43 O7 124.6(8) . . ?
O6 C43 C20 124.2(8) . . ?
O7 C43 C20 111.1(8) . . ?
O7 C44 C45 106.4(8) . . ?
O7 C44 H44A 110.4 . . ?
C45 C44 H44A 110.4 . . ?
O7 C44 H44B 110.4 . . ?
C45 C44 H44B 110.4 . . ?
H44A C44 H44B 108.6 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C1 N1 C4 107.5(7) . . ?
C1 N1 U1 129.2(5) . . ?
C4 N1 U1 123.3(6) . . ?
C8 N2 C5 107.8(7) . . ?
C8 N2 U1 126.3(6) . . ?
C5 N2 U1 125.9(5) . . ?
C13 N3 C9 118.0(7) . . ?
C13 N3 U1 121.9(5) . . ?
C9 N3 U1 120.0(6) . . ?
C17 N4 C14 108.6(8) . . ?
C17 N4 U1 125.6(6) . . ?
C14 N4 U1 125.8(6) . . ?
C21 N5 C18 107.6(7) . . ?
C21 N5 U1 129.3(6) . . ?
C18 N5 U1 122.9(5) . . ?
C22 O3 C25 107.8(6) . . ?
C22 O3 U1 125.9(5) . . ?
C25 O3 U1 126.3(4) . . ?
C40 O5 C41 116.0(11) . . ?
C43 O7 C44 116.4(7) . . ?
C26 O9 C27 116.3(8) . . ?
C29 O11 C30 115.8(8) . . ?
O2 U1 O1 178.1(3) . . ?
O2 U1 N4 90.1(3) . . ?
O1 U1 N4 88.8(3) . . ?
O2 U1 N2 88.7(3) . . ?
O1 U1 N2 90.6(3) . . ?
N4 U1 N2 122.9(2) . . ?
O2 U1 N5 91.9(3) . . ?
O1 U1 N5 88.9(2) . . ?
N4 U1 N5 61.4(2) . . ?
N2 U1 N5 175.7(2) . . ?
O2 U1 N1 90.7(3) . . ?
O1 U1 N1 90.5(3) . . ?
N4 U1 N1 176.0(2) . . ?
N2 U1 N1 61.0(2) . . ?
N5 U1 N1 114.7(2) . . ?
O2 U1 N3 89.1(3) . . ?
O1 U1 N3 89.0(3) . . ?
N4 U1 N3 61.7(2) . . ?
N2 U1 N3 61.2(2) . . ?
N5 U1 N3 123.1(2) . . ?
N1 U1 N3 122.2(2) . . ?
O2 U1 O3 94.0(2) . . ?
O1 U1 O3 87.9(2) . . ?
N4 U1 O3 118.7(2) . . ?
N2 U1 O3 118.3(2) . . ?
N5 U1 O3 57.4(2) . . ?
N1 U1 O3 57.35(19) . . ?
N3 U1 O3 176.9(2) . . ?
Cl1 Sb1 Cl6 92.30(15) . . ?
Cl1 Sb1 Cl2 92.03(16) . . ?
Cl6 Sb1 Cl2 91.84(12) . . ?
Cl1 Sb1 Cl3 90.56(16) . . ?
Cl6 Sb1 Cl3 177.09(13) . . ?
Cl2 Sb1 Cl3 88.62(12) . . ?
Cl1 Sb1 Cl5 89.95(18) . . ?
Cl6 Sb1 Cl5 89.20(13) . . ?
Cl2 Sb1 Cl5 177.72(15) . . ?
Cl3 Sb1 Cl5 90.23(13) . . ?
Cl1 Sb1 Cl4 178.79(18) . . ?
Cl6 Sb1 Cl4 88.04(11) . . ?
Cl2 Sb1 Cl4 89.11(13) . . ?
Cl3 Sb1 Cl4 89.09(13) . . ?
Cl5 Sb1 Cl4 88.90(16) . . ?
C39A C38 C16 106.7(9) . . ?
C39A C38 C39 144(2) . . ?
C16 C38 C39 105.2(9) . . ?
C16 C40A C41A 104.6(9) . . ?

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
N1 C1 C2 C3 -0.2(11) . . . . ?
C25 C1 C2 C3 -179.6(10) . . . . ?
N1 C1 C2 C26 178.7(9) . . . . ?
C25 C1 C2 C26 -0.7(17) . . . . ?
C1 C2 C3 C4 0.1(10) . . . . ?
C26 C2 C3 C4 -178.8(9) . . . . ?
C1 C2 C3 C29 -174.6(9) . . . . ?
C26 C2 C3 C29 6.6(16) . . . . ?
C2 C3 C4 N1 0.0(11) . . . . ?
C29 C3 C4 N1 174.2(9) . . . . ?
C2 C3 C4 C5 176.8(11) . . . . ?
C29 C3 C4 C5 -9.0(19) . . . . ?
N1 C4 C5 N2 1.2(12) . . . . ?
C3 C4 C5 N2 -175.4(10) . . . . ?
N1 C4 C5 C6 178.9(10) . . . . ?
C3 C4 C5 C6 2(2) . . . . ?
C4 C5 C6 C7 -179.5(11) . . . . ?
N2 C5 C6 C7 -1.8(10) . . . . ?
C4 C5 C6 C32 5.6(18) . . . . ?
N2 C5 C6 C32 -176.6(9) . . . . ?
C5 C6 C7 C8 1.5(10) . . . . ?
C32 C6 C7 C8 176.3(9) . . . . ?
C5 C6 C7 C34 -174.5(9) . . . . ?
C32 C6 C7 C34 0.3(16) . . . . ?
C6 C7 C8 N2 -0.8(11) . . . . ?
C34 C7 C8 N2 175.1(9) . . . . ?
C6 C7 C8 C9 177.7(10) . . . . ?
C34 C7 C8 C9 -6.4(17) . . . . ?
N2 C8 C9 N3 -3.0(12) . . . . ?
C7 C8 C9 N3 178.6(9) . . . . ?
N2 C8 C9 C10 175.8(9) . . . . ?
C7 C8 C9 C10 -2.6(17) . . . . ?
N3 C9 C10 C11 0.8(15) . . . . ?
C8 C9 C10 C11 -177.9(9) . . . . ?
C9 C10 C11 C12 -1.0(16) . . . . ?
C10 C11 C12 C13 0.5(16) . . . . ?
C11 C12 C13 N3 0.3(16) . . . . ?
C11 C12 C13 C14 -179.2(10) . . . . ?
N3 C13 C14 C15 -179.2(11) . . . . ?
C12 C13 C14 C15 0.3(18) . . . . ?
N3 C13 C14 N4 1.6(13) . . . . ?
C12 C13 C14 N4 -178.9(9) . . . . ?
N4 C14 C15 C16 -6.1(12) . . . . ?
C13 C14 C15 C16 174.7(10) . . . . ?
N4 C14 C15 C36 178.0(11) . . . . ?
C13 C14 C15 C36 -1(2) . . . . ?
C14 C15 C16 C17 8.7(11) . . . . ?
C36 C15 C16 C17 -175.0(10) . . . . ?
C14 C15 C16 C38 -112.3(12) . . . . ?
C36 C15 C16 C38 64.0(15) . . . . ?
C14 C15 C16 C40A 153(2) . . . . ?
C36 C15 C16 C40A -31(3) . . . . ?
C14 C15 C16 Cl7 125.2(8) . . . . ?
C36 C15 C16 Cl7 -58.5(13) . . . . ?
C14 C15 C16 Cl7A -102.0(13) . . . . ?
C36 C15 C16 Cl7A 74.4(15) . . . . ?
C15 C16 C17 N4 -8.9(11) . . . . ?
C38 C16 C17 N4 117.8(12) . . . . ?
C40A C16 C17 N4 -149(3) . . . . ?
Cl7 C16 C17 N4 -124.9(8) . . . . ?
Cl7A C16 C17 N4 104.8(12) . . . . ?
C15 C16 C17 C18 173.8(11) . . . . ?
C38 C16 C17 C18 -59.5(16) . . . . ?
C40A C16 C17 C18 34(3) . . . . ?
Cl7 C16 C17 C18 57.8(13) . . . . ?
Cl7A C16 C17 C18 -72.5(15) . . . . ?
N4 C17 C18 N5 -0.8(13) . . . . ?
C16 C17 C18 N5 176.4(10) . . . . ?
N4 C17 C18 C19 175.2(11) . . . . ?
C16 C17 C18 C19 -8(2) . . . . ?
N5 C18 C19 C20 2.2(11) . . . . ?
C17 C18 C19 C20 -174.0(12) . . . . ?
N5 C18 C19 C40 -176.3(10) . . . . ?
C17 C18 C19 C40 8(2) . . . . ?
C18 C19 C20 C21 -1.4(11) . . . . ?
C40 C19 C20 C21 177.3(9) . . . . ?
C18 C19 C20 C43 177.0(9) . . . . ?
C40 C19 C20 C43 -4.4(17) . . . . ?
C19 C20 C21 N5 0.2(11) . . . . ?
C43 C20 C21 N5 -178.2(9) . . . . ?
C19 C20 C21 C22 -177.1(10) . . . . ?
C43 C20 C21 C22 4.6(17) . . . . ?
N5 C21 C22 C23 -177.6(11) . . . . ?
C20 C21 C22 C23 -1(2) . . . . ?
N5 C21 C22 O3 3.9(11) . . . . ?
C20 C21 C22 O3 -179.0(9) . . . . ?
O3 C22 C23 C24 -0.6(10) . . . . ?
C21 C22 C23 C24 -179.0(11) . . . . ?
C22 C23 C24 C25 0.7(11) . . . . ?
C23 C24 C25 O3 -0.6(10) . . . . ?
C23 C24 C25 C1 -179.6(12) . . . . ?
N1 C1 C25 C24 178.4(12) . . . . ?
C2 C1 C25 C24 -2(2) . . . . ?
N1 C1 C25 O3 -0.6(11) . . . . ?
C2 C1 C25 O3 178.8(9) . . . . ?
C3 C2 C26 O8 -172.4(11) . . . . ?
C1 C2 C26 O8 9.0(17) . . . . ?
C3 C2 C26 O9 6.7(15) . . . . ?
C1 C2 C26 O9 -171.9(9) . . . . ?
C2 C3 C29 O10 85.6(13) . . . . ?
C4 C3 C29 O10 -87.8(13) . . . . ?
C2 C3 C29 O11 -95.3(11) . . . . ?
C4 C3 C29 O11 91.3(12) . . . . ?
C7 C6 C32 C33 -89.5(12) . . . . ?
C5 C6 C32 C33 84.2(12) . . . . ?
C6 C7 C34 C35 102.2(12) . . . . ?
C8 C7 C34 C35 -73.0(13) . . . . ?
C14 C15 C36 C37 78.2(16) . . . . ?
C16 C15 C36 C37 -97.1(13) . . . . ?
C20 C19 C40 O4 -112.7(13) . . . . ?
C18 C19 C40 O4 65.6(16) . . . . ?
C20 C19 C40 O5 64.6(13) . . . . ?
C18 C19 C40 O5 -117.1(12) . . . . ?
C19 C20 C43 O6 -144.1(10) . . . . ?
C21 C20 C43 O6 33.9(15) . . . . ?
C19 C20 C43 O7 36.2(14) . . . . ?
C21 C20 C43 O7 -145.8(9) . . . . ?
C25 C1 N1 C4 179.7(8) . . . . ?
C2 C1 N1 C4 0.2(10) . . . . ?
C25 C1 N1 U1 1.4(12) . . . . ?
C2 C1 N1 U1 -178.1(6) . . . . ?
C5 C4 N1 C1 -177.7(8) . . . . ?
C3 C4 N1 C1 -0.1(10) . . . . ?
C5 C4 N1 U1 0.7(11) . . . . ?
C3 C4 N1 U1 178.3(6) . . . . ?
C9 C8 N2 C5 -179.1(8) . . . . ?
C7 C8 N2 C5 -0.4(10) . . . . ?
C9 C8 N2 U1 3.4(12) . . . . ?
C7 C8 N2 U1 -177.9(6) . . . . ?
C4 C5 N2 C8 179.6(8) . . . . ?
C6 C5 N2 C8 1.3(10) . . . . ?
C4 C5 N2 U1 -2.9(11) . . . . ?
C6 C5 N2 U1 178.8(6) . . . . ?
C12 C13 N3 C9 -0.5(14) . . . . ?
C14 C13 N3 C9 179.0(8) . . . . ?
C12 C13 N3 U1 176.8(7) . . . . ?
C14 C13 N3 U1 -3.7(11) . . . . ?
C10 C9 N3 C13 0.0(13) . . . . ?
C8 C9 N3 C13 178.8(8) . . . . ?
C10 C9 N3 U1 -177.4(7) . . . . ?
C8 C9 N3 U1 1.4(10) . . . . ?
C18 C17 N4 C14 -176.7(9) . . . . ?
C16 C17 N4 C14 5.5(11) . . . . ?
C18 C17 N4 U1 1.7(13) . . . . ?
C16 C17 N4 U1 -176.1(6) . . . . ?
C15 C14 N4 C17 0.4(12) . . . . ?
C13 C14 N4 C17 179.8(9) . . . . ?
C15 C14 N4 U1 -178.0(7) . . . . ?
C13 C14 N4 U1 1.4(12) . . . . ?
C22 C21 N5 C18 178.9(8) . . . . ?
C20 C21 N5 C18 1.2(10) . . . . ?
C22 C21 N5 U1 -6.0(12) . . . . ?
C20 C21 N5 U1 176.3(6) . . . . ?
C17 C18 N5 C21 175.0(8) . . . . ?
C19 C18 N5 C21 -2.1(11) . . . . ?
C17 C18 N5 U1 -0.4(11) . . . . ?
C19 C18 N5 U1 -177.5(6) . . . . ?
C23 C22 O3 C25 0.2(10) . . . . ?
C21 C22 O3 C25 179.2(7) . . . . ?
C23 C22 O3 U1 -179.9(5) . . . . ?
C21 C22 O3 U1 -1.0(10) . . . . ?
C24 C25 O3 C22 0.2(10) . . . . ?
C1 C25 O3 C22 179.5(7) . . . . ?
C24 C25 O3 U1 -179.6(5) . . . . ?
C1 C25 O3 U1 -0.3(10) . . . . ?
O4 C40 O5 C41 8.9(17) . . . . ?
C19 C40 O5 C41 -168.3(9) . . . . ?
C42 C41 O5 C40 -87.2(15) . . . . ?
O6 C43 O7 C44 2.2(13) . . . . ?
C20 C43 O7 C44 -178.1(8) . . . . ?
C45 C44 O7 C43 -175.2(8) . . . . ?
O8 C26 O9 C27 -2.9(16) . . . . ?
C2 C26 O9 C27 178.0(9) . . . . ?
C28 C27 O9 C26 -179.4(11) . . . . ?
O10 C29 O11 C30 -2.4(15) . . . . ?
C3 C29 O11 C30 178.6(8) . . . . ?
C31 C30 O11 C29 179.6(10) . . . . ?
C17 N4 U1 O2 90.8(8) . . . . ?
C14 N4 U1 O2 -91.1(8) . . . . ?
C17 N4 U1 O1 -90.8(8) . . . . ?
C14 N4 U1 O1 87.3(8) . . . . ?
C17 N4 U1 N2 179.3(8) . . . . ?
C14 N4 U1 N2 -2.6(9) . . . . ?
C17 N4 U1 N5 -1.4(8) . . . . ?
C14 N4 U1 N5 176.8(9) . . . . ?
C17 N4 U1 N1 -11(4) . . . . ?
C14 N4 U1 N1 167(3) . . . . ?
C17 N4 U1 N3 179.6(9) . . . . ?
C14 N4 U1 N3 -2.2(7) . . . . ?
C17 N4 U1 O3 -3.9(9) . . . . ?
C14 N4 U1 O3 174.3(7) . . . . ?
C8 N2 U1 O2 87.8(8) . . . . ?
C5 N2 U1 O2 -89.3(7) . . . . ?
C8 N2 U1 O1 -90.4(8) . . . . ?
C5 N2 U1 O1 92.5(7) . . . . ?
C8 N2 U1 N4 -1.5(9) . . . . ?
C5 N2 U1 N4 -178.5(7) . . . . ?
C8 N2 U1 N5 -174(3) . . . . ?
C5 N2 U1 N5 9(4) . . . . ?
C8 N2 U1 N1 179.4(8) . . . . ?
C5 N2 U1 N1 2.3(7) . . . . ?
C8 N2 U1 N3 -1.9(7) . . . . ?
C5 N2 U1 N3 -178.9(8) . . . . ?
C8 N2 U1 O3 -178.3(7) . . . . ?
C5 N2 U1 O3 4.6(8) . . . . ?
C21 N5 U1 O2 97.4(8) . . . . ?
C18 N5 U1 O2 -88.2(7) . . . . ?
C21 N5 U1 O1 -84.3(8) . . . . ?
C18 N5 U1 O1 90.0(7) . . . . ?
C21 N5 U1 N4 -173.5(8) . . . . ?
C18 N5 U1 N4 0.8(7) . . . . ?
C21 N5 U1 N2 0(4) . . . . ?
C18 N5 U1 N2 174(3) . . . . ?
C21 N5 U1 N1 5.7(8) . . . . ?
C18 N5 U1 N1 -179.9(7) . . . . ?
C21 N5 U1 N3 -172.5(7) . . . . ?
C18 N5 U1 N3 1.9(8) . . . . ?
C21 N5 U1 O3 3.8(7) . . . . ?
C18 N5 U1 O3 178.2(8) . . . . ?
C1 N1 U1 O2 -95.4(8) . . . . ?
C4 N1 U1 O2 86.6(7) . . . . ?
C1 N1 U1 O1 86.1(8) . . . . ?
C4 N1 U1 O1 -91.9(7) . . . . ?
C1 N1 U1 N4 7(4) . . . . ?
C4 N1 U1 N4 -171(3) . . . . ?
C1 N1 U1 N2 176.5(9) . . . . ?
C4 N1 U1 N2 -1.5(6) . . . . ?
C1 N1 U1 N5 -2.9(8) . . . . ?
C4 N1 U1 N5 179.0(6) . . . . ?
C1 N1 U1 N3 175.3(7) . . . . ?
C4 N1 U1 N3 -2.8(8) . . . . ?
C1 N1 U1 O3 -1.1(7) . . . . ?
C4 N1 U1 O3 -179.1(8) . . . . ?
C13 N3 U1 O2 93.7(7) . . . . ?
C9 N3 U1 O2 -89.0(7) . . . . ?
C13 N3 U1 O1 -86.0(7) . . . . ?
C9 N3 U1 O1 91.3(7) . . . . ?
C13 N3 U1 N4 3.1(7) . . . . ?
C9 N3 U1 N4 -179.6(7) . . . . ?
C13 N3 U1 N2 -177.2(8) . . . . ?
C9 N3 U1 N2 0.0(6) . . . . ?
C13 N3 U1 N5 2.1(8) . . . . ?
C9 N3 U1 N5 179.4(6) . . . . ?
C13 N3 U1 N1 -176.0(6) . . . . ?
C9 N3 U1 N1 1.3(8) . . . . ?
C13 N3 U1 O3 -95(4) . . . . ?
C9 N3 U1 O3 83(4) . . . . ?
C22 O3 U1 O2 -90.9(6) . . . . ?
C25 O3 U1 O2 89.0(7) . . . . ?
C22 O3 U1 O1 88.9(6) . . . . ?
C25 O3 U1 O1 -91.3(6) . . . . ?
C22 O3 U1 N4 1.4(7) . . . . ?
C25 O3 U1 N4 -178.7(6) . . . . ?
C22 O3 U1 N2 178.4(6) . . . . ?
C25 O3 U1 N2 -1.7(7) . . . . ?
C22 O3 U1 N5 -1.2(6) . . . . ?
C25 O3 U1 N5 178.6(7) . . . . ?
C22 O3 U1 N1 -179.2(7) . . . . ?
C25 O3 U1 N1 0.7(6) . . . . ?
C22 O3 U1 N3 97(4) . . . . ?
C25 O3 U1 N3 -83(4) . . . . ?
C15 C16 C38 C39A -99(3) . . . . ?
C17 C16 C38 C39A 143(2) . . . . ?
C40A C16 C38 C39A 18(4) . . . . ?
Cl7 C16 C38 C39A 24(3) . . . . ?
Cl7A C16 C38 C39A -146(9) . . . . ?
C15 C16 C38 C39 64(2) . . . . ?
C17 C16 C38 C39 -54(2) . . . . ?
C40A C16 C38 C39 -179(4) . . . . ?
Cl7 C16 C38 C39 -172.8(19) . . . . ?
Cl7A C16 C38 C39 16(7) . . . . ?
C15 C16 C40A C41A -81(5) . . . . ?
C17 C16 C40A C41A 54(6) . . . . ?
C38 C16 C40A C41A 162(5) . . . . ?
Cl7 C16 C40A C41A -4(5) . . . . ?
Cl7A C16 C40A C41A 166(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         4.937
_refine_diff_density_min         -2.413
_refine_diff_density_rms         0.184
