# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 1060984'
_audit_update_record             
;
2015-04-22 deposited with the CCDC.
2015-11-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H36 Br2 F12 N4 O10 Y2'
_chemical_formula_weight         1442.49

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   16.759(3)
_cell_length_b                   16.602(3)
_cell_length_c                   19.907(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.08(3)
_cell_angle_gamma                90.00
_cell_volume                     5469.3(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2848
_exptl_absorpt_coefficient_mu    3.674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5269
_exptl_absorpt_correction_T_max  0.6668
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            27319
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         27.94
_reflns_number_total             6537
_reflns_number_gt                4489
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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)+(0.0881P)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    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0022(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6537
_refine_ls_number_parameters     400
_refine_ls_number_restraints     47
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0599
_refine_ls_wR_factor_ref         0.1610
_refine_ls_wR_factor_gt          0.1435
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.035
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.21862(3) 0.84377(2) 0.44774(2) 0.02930(17) Uani 1 1 d . . .
Br1 Br 0.22658(4) 1.31424(3) 0.37482(3) 0.0606(2) Uani 1 1 d . . .
F1 F 0.1033(3) 1.0714(2) 0.56536(16) 0.0806(11) Uani 1 1 d . . .
F2 F 0.1676(2) 1.0023(2) 0.64432(15) 0.0693(10) Uani 1 1 d . . .
F3 F 0.0386(2) 1.0031(2) 0.6286(2) 0.0901(14) Uani 1 1 d . . .
F4 F 0.4075(4) 1.0619(4) 0.5106(3) 0.0634(19) Uani 0.527(4) 1 d PDU A 1
F5 F 0.3637(3) 1.1011(3) 0.4094(3) 0.0578(17) Uani 0.527(4) 1 d PDU A 1
F6 F 0.4838(3) 1.0537(4) 0.4346(3) 0.0622(18) Uani 0.527(4) 1 d PDU A 1
F4' F 0.4048(6) 0.8342(6) 0.2614(3) 0.096(3) Uani 0.473(4) 1 d PDU A 2
F5' F 0.5062(4) 0.8136(7) 0.3396(4) 0.115(4) Uani 0.473(4) 1 d PDU A 2
F6' F 0.4171(6) 0.7332(7) 0.3195(4) 0.092(3) Uani 0.473(4) 1 d PU A 2
O1 O 0.21786(18) 0.70152(18) 0.44773(13) 0.0319(7) Uani 1 1 d . . .
O2 O 0.16259(17) 0.93378(17) 0.51550(13) 0.0319(7) Uani 1 1 d . . .
O3 O 0.08606(18) 0.80300(18) 0.45349(15) 0.0360(7) Uani 1 1 d . . .
O4 O 0.30983(19) 0.94782(19) 0.45716(16) 0.0435(8) Uani 1 1 d . . .
O5 O 0.3223(2) 0.8087(2) 0.38666(15) 0.0419(8) Uani 1 1 d . . .
N1 N 0.1561(2) 0.7892(2) 0.33748(17) 0.0304(8) Uani 1 1 d . . .
N2 N 0.1689(2) 0.9509(2) 0.35081(17) 0.0355(9) Uani 1 1 d . . .
C1 C 0.1496(3) 0.7080(3) 0.3331(2) 0.0317(10) Uani 1 1 d . . .
C2 C 0.1820(3) 0.6618(3) 0.3923(2) 0.0312(10) Uani 1 1 d . . .
C3 C 0.1734(3) 0.5789(3) 0.3872(2) 0.0405(11) Uani 1 1 d . . .
H3 H 0.1937 0.5464 0.4253 0.049 Uiso 1 1 calc R . .
C4 C 0.1353(3) 0.5413(3) 0.3270(2) 0.0433(12) Uani 1 1 d . . .
H4 H 0.1292 0.4844 0.3261 0.052 Uiso 1 1 calc R . .
C5 C 0.1071(3) 0.5847(3) 0.2698(2) 0.0431(12) Uani 1 1 d . . .
H5 H 0.0841 0.5581 0.2290 0.052 Uiso 1 1 calc R . .
C6 C 0.1124(3) 0.6691(3) 0.2719(2) 0.0356(10) Uani 1 1 d . . .
C7 C 0.0829(3) 0.7198(3) 0.2158(2) 0.0439(12) Uani 1 1 d . . .
H7 H 0.0580 0.6967 0.1741 0.053 Uiso 1 1 calc R . .
C8 C 0.0904(3) 0.8017(3) 0.2217(2) 0.0437(12) Uani 1 1 d . . .
H8 H 0.0708 0.8357 0.1843 0.052 Uiso 1 1 calc R . .
C9 C 0.1274(3) 0.8348(3) 0.2839(2) 0.0354(10) Uani 1 1 d . . .
C10 C 0.1359(3) 0.9215(3) 0.2940(2) 0.0373(11) Uani 1 1 d . . .
H10 H 0.1165 0.9569 0.2576 0.045 Uiso 1 1 calc R . .
C11 C 0.1811(3) 1.0376(3) 0.3544(2) 0.0364(10) Uani 1 1 d . . .
C12 C 0.2015(3) 1.0805(3) 0.3000(2) 0.0438(12) Uani 1 1 d . . .
H12 H 0.2071 1.0536 0.2589 0.053 Uiso 1 1 calc R . .
C13 C 0.2138(3) 1.1634(3) 0.3057(3) 0.0486(13) Uani 1 1 d . . .
H13 H 0.2272 1.1933 0.2684 0.058 Uiso 1 1 calc R . .
C14 C 0.2065(3) 1.2015(3) 0.3658(3) 0.0428(12) Uani 1 1 d . . .
C15 C 0.1890(3) 1.1591(3) 0.4202(3) 0.0433(12) Uani 1 1 d . . .
H15 H 0.1861 1.1860 0.4618 0.052 Uiso 1 1 calc R . .
C16 C 0.1752(3) 1.0763(3) 0.4149(2) 0.0406(11) Uani 1 1 d . . .
H16 H 0.1620 1.0468 0.4526 0.049 Uiso 1 1 calc R . .
C17 C 0.1016(3) 1.0005(3) 0.5972(2) 0.0414(12) Uani 1 1 d . . .
C18 C 0.1030(3) 0.9303(3) 0.5483(2) 0.0337(10) Uani 1 1 d . . .
C19 C 0.0439(3) 0.8742(3) 0.5439(2) 0.0397(11) Uani 1 1 d . . .
H19 H 0.0056 0.8768 0.5743 0.048 Uiso 1 1 calc R . .
C20 C 0.0379(3) 0.8112(3) 0.4946(2) 0.0379(11) Uani 1 1 d . . .
C21 C -0.0300(3) 0.7511(3) 0.4902(3) 0.0560(15) Uani 1 1 d . . .
H21A H -0.0744 0.7680 0.4548 0.084 Uiso 1 1 calc R . .
H21B H -0.0494 0.7482 0.5341 0.084 Uiso 1 1 calc R . .
H21C H -0.0105 0.6980 0.4787 0.084 Uiso 1 1 calc R . .
C22 C 0.4058(3) 1.0483(4) 0.4485(3) 0.0629(16) Uani 1 1 d D . .
C23 C 0.3725(3) 0.9670(3) 0.4325(3) 0.0527(15) Uani 1 1 d . A .
C24 C 0.4096(3) 0.9196(4) 0.3898(3) 0.0563(15) Uani 1 1 d . . .
H24 H 0.4560 0.9397 0.3735 0.068 Uiso 1 1 calc R A .
C25 C 0.3817(3) 0.8443(4) 0.3701(3) 0.0518(15) Uani 1 1 d . A .
C26 C 0.4285(4) 0.7957(5) 0.3214(3) 0.072(2) Uani 1 1 d DU . .


_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
Y1 O4 2.295(3) . ?
Y1 O1 2.308(3) 7_566 ?
Y1 O2 2.310(3) . ?
Y1 O3 2.343(3) . ?
Y1 O5 2.347(3) . ?
Y1 O1 2.362(3) . ?
Y1 N1 2.452(4) . ?
Y1 N2 2.659(4) . ?
Y1 Y1 3.7996(10) 7_566 ?
Br1 C14 1.905(5) . ?
F1 C17 1.339(6) . ?
F2 C17 1.334(6) . ?
F3 C17 1.310(6) . ?
F4 C22 1.254(6) . ?
F5 C22 1.303(6) . ?
F6 C22 1.380(6) . ?
F4' C26 1.358(7) . ?
F5' C26 1.329(8) . ?
F6' C26 1.055(11) . ?
O1 C2 1.344(5) . ?
O1 Y1 2.308(3) 7_566 ?
O2 C18 1.278(5) . ?
O3 C20 1.245(5) . ?
O4 C23 1.269(6) . ?
O5 C25 1.246(6) . ?
N1 C9 1.334(6) . ?
N1 C1 1.354(6) . ?
N2 C10 1.274(5) . ?
N2 C11 1.455(6) . ?
C1 C6 1.432(6) . ?
C1 C2 1.439(6) . ?
C2 C3 1.386(6) . ?
C3 C4 1.411(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.368(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.403(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.423(7) . ?
C7 C8 1.369(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.408(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.457(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(6) . ?
C11 C16 1.383(6) . ?
C12 C13 1.393(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.362(7) . ?
C15 C16 1.394(7) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.520(6) . ?
C18 C19 1.352(6) . ?
C19 C20 1.427(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.505(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.477(8) . ?
C23 C24 1.375(8) . ?
C24 C25 1.370(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.563(9) . ?

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
O4 Y1 O1 88.00(11) . 7_566 ?
O4 Y1 O2 78.01(11) . . ?
O1 Y1 O2 81.75(10) 7_566 . ?
O4 Y1 O3 146.95(11) . . ?
O1 Y1 O3 99.66(11) 7_566 . ?
O2 Y1 O3 71.47(10) . . ?
O4 Y1 O5 72.00(12) . . ?
O1 Y1 O5 96.45(11) 7_566 . ?
O2 Y1 O5 150.00(11) . . ?
O3 Y1 O5 137.67(11) . . ?
O4 Y1 O1 139.14(11) . . ?
O1 Y1 O1 71.11(11) 7_566 . ?
O2 Y1 O1 130.12(10) . . ?
O3 Y1 O1 72.90(10) . . ?
O5 Y1 O1 75.88(11) . . ?
O4 Y1 N1 122.44(11) . . ?
O1 Y1 N1 139.26(12) 7_566 . ?
O2 Y1 N1 127.33(11) . . ?
O3 Y1 N1 70.27(11) . . ?
O5 Y1 N1 72.00(12) . . ?
O1 Y1 N1 68.20(11) . . ?
O4 Y1 N2 71.60(11) . . ?
O1 Y1 N2 156.77(11) 7_566 . ?
O2 Y1 N2 83.19(10) . . ?
O3 Y1 N2 92.16(11) . . ?
O5 Y1 N2 87.88(11) . . ?
O1 Y1 N2 131.87(11) . . ?
N1 Y1 N2 63.69(12) . . ?
O4 Y1 Y1 116.67(8) . 7_566 ?
O1 Y1 Y1 36.02(7) 7_566 7_566 ?
O2 Y1 Y1 108.26(7) . 7_566 ?
O3 Y1 Y1 85.36(8) . 7_566 ?
O5 Y1 Y1 85.21(8) . 7_566 ?
O1 Y1 Y1 35.09(7) . 7_566 ?
N1 Y1 Y1 103.27(9) . 7_566 ?
N2 Y1 Y1 166.69(8) . 7_566 ?
C2 O1 Y1 131.6(3) . 7_566 ?
C2 O1 Y1 119.5(3) . . ?
Y1 O1 Y1 108.89(11) 7_566 . ?
C18 O2 Y1 133.8(3) . . ?
C20 O3 Y1 136.0(3) . . ?
C23 O4 Y1 137.6(4) . . ?
C25 O5 Y1 135.0(4) . . ?
C9 N1 C1 119.9(4) . . ?
C9 N1 Y1 123.7(3) . . ?
C1 N1 Y1 116.4(3) . . ?
C10 N2 C11 117.3(4) . . ?
C10 N2 Y1 115.5(3) . . ?
C11 N2 Y1 127.0(3) . . ?
N1 C1 C6 121.6(4) . . ?
N1 C1 C2 117.5(4) . . ?
C6 C1 C2 120.9(4) . . ?
O1 C2 C3 125.1(4) . . ?
O1 C2 C1 118.3(4) . . ?
C3 C2 C1 116.6(4) . . ?
C2 C3 C4 122.0(5) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
C5 C4 C3 121.6(5) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 119.3(4) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 123.7(4) . . ?
C5 C6 C1 119.5(4) . . ?
C7 C6 C1 116.8(4) . . ?
C8 C7 C6 120.3(4) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 119.0(5) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
N1 C9 C8 122.3(4) . . ?
N1 C9 C10 115.8(4) . . ?
C8 C9 C10 121.8(4) . . ?
N2 C10 C9 121.3(4) . . ?
N2 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C12 C11 C16 120.2(4) . . ?
C12 C11 N2 121.5(4) . . ?
C16 C11 N2 118.3(4) . . ?
C11 C12 C13 119.8(5) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 119.6(5) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 120.8(5) . . ?
C15 C14 Br1 119.3(4) . . ?
C13 C14 Br1 119.8(4) . . ?
C14 C15 C16 120.3(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C11 C16 C15 119.3(4) . . ?
C11 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
F3 C17 F2 107.7(4) . . ?
F3 C17 F1 106.1(4) . . ?
F2 C17 F1 103.6(4) . . ?
F3 C17 C18 115.2(4) . . ?
F2 C17 C18 111.9(4) . . ?
F1 C17 C18 111.6(4) . . ?
O2 C18 C19 128.4(4) . . ?
O2 C18 C17 112.6(4) . . ?
C19 C18 C17 119.0(4) . . ?
C18 C19 C20 121.4(4) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
O3 C20 C19 123.3(4) . . ?
O3 C20 C21 116.8(4) . . ?
C19 C20 C21 119.8(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
F4 C22 F5 113.3(7) . . ?
F4 C22 F6 108.2(5) . . ?
F5 C22 F6 106.1(5) . . ?
F4 C22 C23 109.0(5) . . ?
F5 C22 C23 109.6(5) . . ?
F6 C22 C23 110.7(5) . . ?
O4 C23 C24 125.3(5) . . ?
O4 C23 C22 117.0(6) . . ?
C24 C23 C22 117.7(5) . . ?
C25 C24 C23 122.2(5) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
O5 C25 C24 127.5(5) . . ?
O5 C25 C26 114.7(6) . . ?
C24 C25 C26 117.8(5) . . ?
F6' C26 F5' 113.1(11) . . ?
F6' C26 F4' 113.9(10) . . ?
F5' C26 F4' 105.7(8) . . ?
F6' C26 C25 115.2(7) . . ?
F5' C26 C25 106.4(6) . . ?
F4' C26 C25 101.3(7) . . ?

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
O4 Y1 O1 C2 -118.3(3) . . . . ?
O1 Y1 O1 C2 178.6(4) 7_566 . . . ?
O2 Y1 O1 C2 117.7(3) . . . . ?
O3 Y1 O1 C2 71.7(3) . . . . ?
O5 Y1 O1 C2 -79.4(3) . . . . ?
N1 Y1 O1 C2 -3.4(3) . . . . ?
N2 Y1 O1 C2 -5.4(4) . . . . ?
Y1 Y1 O1 C2 178.6(4) 7_566 . . . ?
O4 Y1 O1 Y1 63.12(19) . . . 7_566 ?
O1 Y1 O1 Y1 0.0 7_566 . . 7_566 ?
O2 Y1 O1 Y1 -60.86(17) . . . 7_566 ?
O3 Y1 O1 Y1 -106.91(13) . . . 7_566 ?
O5 Y1 O1 Y1 102.04(14) . . . 7_566 ?
N1 Y1 O1 Y1 178.00(15) . . . 7_566 ?
N2 Y1 O1 Y1 175.97(11) . . . 7_566 ?
O4 Y1 O2 C18 -172.5(4) . . . . ?
O1 Y1 O2 C18 -82.8(4) 7_566 . . . ?
O3 Y1 O2 C18 20.4(4) . . . . ?
O5 Y1 O2 C18 -171.4(3) . . . . ?
O1 Y1 O2 C18 -26.1(4) . . . . ?
N1 Y1 O2 C18 65.7(4) . . . . ?
N2 Y1 O2 C18 115.0(4) . . . . ?
Y1 Y1 O2 C18 -58.1(4) 7_566 . . . ?
O4 Y1 O3 C20 -49.5(5) . . . . ?
O1 Y1 O3 C20 51.8(4) 7_566 . . . ?
O2 Y1 O3 C20 -26.0(4) . . . . ?
O5 Y1 O3 C20 162.7(4) . . . . ?
O1 Y1 O3 C20 118.5(4) . . . . ?
N1 Y1 O3 C20 -169.1(5) . . . . ?
N2 Y1 O3 C20 -108.1(4) . . . . ?
Y1 Y1 O3 C20 85.0(4) 7_566 . . . ?
O1 Y1 O4 C23 104.1(4) 7_566 . . . ?
O2 Y1 O4 C23 -173.9(5) . . . . ?
O3 Y1 O4 C23 -151.1(4) . . . . ?
O5 Y1 O4 C23 6.7(4) . . . . ?
O1 Y1 O4 C23 46.5(5) . . . . ?
N1 Y1 O4 C23 -47.1(5) . . . . ?
N2 Y1 O4 C23 -87.2(4) . . . . ?
Y1 Y1 O4 C23 81.5(4) 7_566 . . . ?
O4 Y1 O5 C25 -7.5(4) . . . . ?
O1 Y1 O5 C25 -93.3(4) 7_566 . . . ?
O2 Y1 O5 C25 -8.7(6) . . . . ?
O3 Y1 O5 C25 154.7(4) . . . . ?
O1 Y1 O5 C25 -161.9(4) . . . . ?
N1 Y1 O5 C25 126.8(5) . . . . ?
N2 Y1 O5 C25 63.8(4) . . . . ?
Y1 Y1 O5 C25 -127.6(4) 7_566 . . . ?
O4 Y1 N1 C9 -43.7(4) . . . . ?
O1 Y1 N1 C9 -176.1(3) 7_566 . . . ?
O2 Y1 N1 C9 56.4(4) . . . . ?
O3 Y1 N1 C9 102.1(4) . . . . ?
O5 Y1 N1 C9 -97.4(4) . . . . ?
O1 Y1 N1 C9 -179.0(4) . . . . ?
N2 Y1 N1 C9 -0.7(3) . . . . ?
Y1 Y1 N1 C9 -177.8(3) 7_566 . . . ?
O4 Y1 N1 C1 138.0(3) . . . . ?
O1 Y1 N1 C1 5.6(4) 7_566 . . . ?
O2 Y1 N1 C1 -121.9(3) . . . . ?
O3 Y1 N1 C1 -76.2(3) . . . . ?
O5 Y1 N1 C1 84.3(3) . . . . ?
O1 Y1 N1 C1 2.7(3) . . . . ?
N2 Y1 N1 C1 -179.0(3) . . . . ?
Y1 Y1 N1 C1 3.9(3) 7_566 . . . ?
O4 Y1 N2 C10 143.3(3) . . . . ?
O1 Y1 N2 C10 173.0(3) 7_566 . . . ?
O2 Y1 N2 C10 -137.1(3) . . . . ?
O3 Y1 N2 C10 -66.1(3) . . . . ?
O5 Y1 N2 C10 71.5(3) . . . . ?
O1 Y1 N2 C10 2.7(4) . . . . ?
N1 Y1 N2 C10 0.6(3) . . . . ?
Y1 Y1 N2 C10 12.8(6) 7_566 . . . ?
O4 Y1 N2 C11 -31.6(3) . . . . ?
O1 Y1 N2 C11 -1.9(5) 7_566 . . . ?
O2 Y1 N2 C11 48.0(3) . . . . ?
O3 Y1 N2 C11 119.0(3) . . . . ?
O5 Y1 N2 C11 -103.3(3) . . . . ?
O1 Y1 N2 C11 -172.1(3) . . . . ?
N1 Y1 N2 C11 -174.3(4) . . . . ?
Y1 Y1 N2 C11 -162.0(3) 7_566 . . . ?
C9 N1 C1 C6 0.1(7) . . . . ?
Y1 N1 C1 C6 178.4(3) . . . . ?
C9 N1 C1 C2 179.7(4) . . . . ?
Y1 N1 C1 C2 -1.9(5) . . . . ?
Y1 O1 C2 C3 2.1(7) 7_566 . . . ?
Y1 O1 C2 C3 -176.1(4) . . . . ?
Y1 O1 C2 C1 -178.0(3) 7_566 . . . ?
Y1 O1 C2 C1 3.8(5) . . . . ?
N1 C1 C2 O1 -1.2(6) . . . . ?
C6 C1 C2 O1 178.5(4) . . . . ?
N1 C1 C2 C3 178.8(4) . . . . ?
C6 C1 C2 C3 -1.5(7) . . . . ?
O1 C2 C3 C4 -179.6(4) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C2 C3 C4 C5 2.0(8) . . . . ?
C3 C4 C5 C6 -3.2(8) . . . . ?
C4 C5 C6 C7 -178.3(5) . . . . ?
C4 C5 C6 C1 2.1(7) . . . . ?
N1 C1 C6 C5 180.0(4) . . . . ?
C2 C1 C6 C5 0.3(7) . . . . ?
N1 C1 C6 C7 0.3(7) . . . . ?
C2 C1 C6 C7 -179.3(4) . . . . ?
C5 C6 C7 C8 -179.9(5) . . . . ?
C1 C6 C7 C8 -0.3(7) . . . . ?
C6 C7 C8 C9 -0.1(8) . . . . ?
C1 N1 C9 C8 -0.5(7) . . . . ?
Y1 N1 C9 C8 -178.7(3) . . . . ?
C1 N1 C9 C10 178.9(4) . . . . ?
Y1 N1 C9 C10 0.7(6) . . . . ?
C7 C8 C9 N1 0.5(8) . . . . ?
C7 C8 C9 C10 -178.9(5) . . . . ?
C11 N2 C10 C9 174.8(4) . . . . ?
Y1 N2 C10 C9 -0.5(6) . . . . ?
N1 C9 C10 N2 0.0(7) . . . . ?
C8 C9 C10 N2 179.4(4) . . . . ?
C10 N2 C11 C12 -36.3(7) . . . . ?
Y1 N2 C11 C12 138.5(4) . . . . ?
C10 N2 C11 C16 146.6(5) . . . . ?
Y1 N2 C11 C16 -38.7(6) . . . . ?
C16 C11 C12 C13 -1.9(8) . . . . ?
N2 C11 C12 C13 -179.0(4) . . . . ?
C11 C12 C13 C14 0.8(8) . . . . ?
C12 C13 C14 C15 1.3(8) . . . . ?
C12 C13 C14 Br1 178.1(4) . . . . ?
C13 C14 C15 C16 -2.3(8) . . . . ?
Br1 C14 C15 C16 -179.1(4) . . . . ?
C12 C11 C16 C15 1.0(8) . . . . ?
N2 C11 C16 C15 178.2(4) . . . . ?
C14 C15 C16 C11 1.1(8) . . . . ?
Y1 O2 C18 C19 -12.6(7) . . . . ?
Y1 O2 C18 C17 168.1(3) . . . . ?
F3 C17 C18 O2 175.4(4) . . . . ?
F2 C17 C18 O2 -61.2(5) . . . . ?
F1 C17 C18 O2 54.3(5) . . . . ?
F3 C17 C18 C19 -4.0(7) . . . . ?
F2 C17 C18 C19 119.4(5) . . . . ?
F1 C17 C18 C19 -125.0(5) . . . . ?
O2 C18 C19 C20 -5.2(8) . . . . ?
C17 C18 C19 C20 174.1(4) . . . . ?
Y1 O3 C20 C19 21.9(7) . . . . ?
Y1 O3 C20 C21 -158.7(4) . . . . ?
C18 C19 C20 O3 0.8(8) . . . . ?
C18 C19 C20 C21 -178.5(5) . . . . ?
Y1 O4 C23 C24 -4.7(8) . . . . ?
Y1 O4 C23 C22 172.3(3) . . . . ?
F4 C22 C23 O4 45.2(7) . . . . ?
F5 C22 C23 O4 -79.3(6) . . . . ?
F6 C22 C23 O4 164.0(5) . . . . ?
F4 C22 C23 C24 -137.6(6) . . . . ?
F5 C22 C23 C24 97.9(6) . . . . ?
F6 C22 C23 C24 -18.8(7) . . . . ?
O4 C23 C24 C25 -0.8(9) . . . . ?
C22 C23 C24 C25 -177.8(5) . . . . ?
Y1 O5 C25 C24 6.7(8) . . . . ?
Y1 O5 C25 C26 -173.6(3) . . . . ?
C23 C24 C25 O5 -0.3(9) . . . . ?
C23 C24 C25 C26 -180.0(5) . . . . ?
O5 C25 C26 F6' -17.8(11) . . . . ?
C24 C25 C26 F6' 161.9(9) . . . . ?
O5 C25 C26 F5' -144.0(7) . . . . ?
C24 C25 C26 F5' 35.7(9) . . . . ?
O5 C25 C26 F4' 105.7(7) . . . . ?
C24 C25 C26 F4' -74.6(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.94
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.979
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.119
####################################################################### 
# 
# 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 1061000'
_audit_update_record             
;
2015-04-22 deposited with the CCDC.
2015-11-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H36 Br2 Dy2 F12 N4 O10 S4'
_chemical_formula_weight         1862.03

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.769(2)
_cell_length_b                   13.002(3)
_cell_length_c                   13.289(3)
_cell_angle_alpha                69.97(3)
_cell_angle_beta                 72.58(3)
_cell_angle_gamma                80.13(3)
_cell_volume                     1663.0(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             902
_exptl_absorpt_coefficient_mu    3.651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5288
_exptl_absorpt_correction_T_max  0.6685
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            13960
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_av_sigmaI/netI    0.1156
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         25.02
_reflns_number_total             5843
_reflns_number_gt                4524
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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)+(0.0401P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5843
_refine_ls_number_parameters     572
_refine_ls_number_restraints     355
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0553
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.1058
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.982
_refine_ls_shift/su_max          0.016
_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
Dy1 Dy 0.85352(3) 0.91164(3) 0.55986(3) 0.02702(13) Uani 1 1 d . . .
Br1 Br 0.48363(12) 0.35601(8) 0.84236(13) 0.1102(6) Uani 1 1 d . . .
F1 F 0.7994(12) 0.5268(8) 0.8343(12) 0.087(4) Uani 0.732(13) 1 d PDU A 3
F2 F 0.8641(12) 0.5580(10) 0.9582(7) 0.088(4) Uani 0.732(13) 1 d PDU A 3
F3 F 1.0025(8) 0.5519(6) 0.8037(8) 0.074(3) Uani 0.732(13) 1 d PDU A 3
F1' F 0.7632(18) 0.541(2) 0.893(3) 0.069(7) Uani 0.268(13) 1 d PDU A 4
F2' F 0.930(3) 0.547(2) 0.9344(18) 0.058(6) Uani 0.268(13) 1 d PDU A 4
F3' F 0.917(4) 0.5304(15) 0.7718(15) 0.088(7) Uani 0.268(13) 1 d PDU A 4
F4 F 0.8773(9) 0.6763(6) 0.2752(9) 0.090(3) Uani 0.833(8) 1 d PDU B 3
F5 F 0.9583(10) 0.6037(4) 0.4163(5) 0.072(3) Uani 0.833(8) 1 d PDU B 3
F6 F 1.0781(6) 0.6892(5) 0.2611(6) 0.071(2) Uani 0.833(8) 1 d PDU B 3
F4' F 0.981(5) 0.698(3) 0.2212(14) 0.093(8) Uani 0.167(8) 1 d PDU B 4
F5' F 0.852(2) 0.633(3) 0.379(3) 0.070(7) Uani 0.167(8) 1 d PDU B 4
F6' F 1.044(3) 0.626(3) 0.380(3) 0.078(8) Uani 0.167(8) 1 d PDU B 4
O1 O 0.9221(4) 1.0942(3) 0.5082(4) 0.0231(11) Uani 1 1 d . . .
O2 O 0.8152(4) 0.9442(4) 0.7291(4) 0.0288(12) Uani 1 1 d . . .
O3 O 0.8788(5) 0.7440(4) 0.6923(4) 0.0337(13) Uani 1 1 d . . .
O4 O 0.8314(4) 1.0089(4) 0.3816(4) 0.0288(12) Uani 1 1 d . . .
O5 O 0.8752(5) 0.7895(4) 0.4588(4) 0.0302(12) Uani 1 1 d . . .
N1 N 0.6667(5) 1.0503(4) 0.5753(5) 0.0241(14) Uani 1 1 d . . .
N2 N 0.6186(6) 0.8348(5) 0.6466(5) 0.0284(15) Uani 1 1 d . . .
C1 C 0.6939(7) 1.1572(5) 0.5437(6) 0.0255(17) Uani 1 1 d . . .
C2 C 0.8302(7) 1.1792(5) 0.5080(6) 0.0259(17) Uani 1 1 d . . .
C3 C 0.8570(7) 1.2874(6) 0.4728(7) 0.038(2) Uani 1 1 d . . .
H3 H 0.9455 1.3049 0.4475 0.046 Uiso 1 1 calc R . .
C4 C 0.7571(7) 1.3734(6) 0.4732(7) 0.042(2) Uani 1 1 d . . .
H4 H 0.7801 1.4471 0.4482 0.050 Uiso 1 1 calc R . .
C5 C 0.6286(8) 1.3534(6) 0.5084(8) 0.048(2) Uani 1 1 d . . .
H5 H 0.5624 1.4120 0.5079 0.057 Uiso 1 1 calc R . .
C6 C 0.5957(7) 1.2425(6) 0.5461(7) 0.0355(19) Uani 1 1 d . . .
C7 C 0.4633(7) 1.2142(6) 0.5848(7) 0.037(2) Uani 1 1 d . . .
H7 H 0.3936 1.2697 0.5873 0.044 Uiso 1 1 calc R . .
C8 C 0.4382(7) 1.1057(6) 0.6184(6) 0.0352(19) Uani 1 1 d . . .
H8 H 0.3509 1.0850 0.6465 0.042 Uiso 1 1 calc R . .
C9 C 0.5435(7) 1.0257(6) 0.6107(6) 0.0244(16) Uani 1 1 d . . .
C10 C 0.5216(7) 0.9080(6) 0.6497(6) 0.0314(18) Uani 1 1 d . . .
H10 H 0.4350 0.8859 0.6774 0.038 Uiso 1 1 calc R . .
C11 C 0.5823(6) 0.7243(5) 0.6921(5) 0.0196(15) Uani 1 1 d U . .
C12 C 0.4937(8) 0.6878(7) 0.7970(7) 0.051(3) Uani 1 1 d . . .
H12 H 0.4543 0.7376 0.8379 0.062 Uiso 1 1 calc R . .
C13 C 0.4642(9) 0.5786(7) 0.8404(9) 0.068(3) Uani 1 1 d . . .
H13 H 0.4003 0.5547 0.9089 0.081 Uiso 1 1 calc R . .
C14 C 0.5272(9) 0.5057(7) 0.7846(9) 0.058(3) Uani 1 1 d . . .
C15 C 0.6240(8) 0.5367(7) 0.6865(7) 0.047(2) Uani 1 1 d . . .
H15 H 0.6683 0.4847 0.6494 0.056 Uiso 1 1 calc R . .
C16 C 0.6548(7) 0.6456(6) 0.6435(7) 0.038(2) Uani 1 1 d . . .
H16 H 0.7263 0.6667 0.5802 0.045 Uiso 1 1 calc R . .
S1 S 0.7020(7) 1.0874(6) 0.8594(5) 0.0491(18) Uani 0.726(9) 1 d PDU C 5
C17 C 0.633(2) 1.1043(18) 0.9869(11) 0.068(7) Uani 0.726(9) 1 d PDU C 5
C18 C 0.638(3) 1.0101(13) 1.0732(19) 0.088(10) Uani 0.726(9) 1 d PDU C 5
C19 C 0.682(2) 0.9174(13) 1.0236(9) 0.056(6) Uani 0.726(9) 1 d PDU C 5
S1' S 0.6991(18) 0.8889(9) 1.0495(8) 0.056(4) Uani 0.274(9) 1 d PDU C 6
C17' C 0.665(7) 1.087(4) 0.986(3) 0.07(2) Uani 0.274(9) 1 d PDU C 6
C18' C 0.638(5) 0.990(3) 1.068(3) 0.023(9) Uani 0.274(9) 1 d PDU C 6
C19' C 0.722(6) 1.077(5) 0.883(4) 0.016(11) Uani 0.274(9) 1 d PDU C 6
C20 C 0.7320(7) 0.9493(6) 0.9102(6) 0.039(2) Uani 1 1 d D . .
C21 C 0.7858(7) 0.8884(6) 0.8304(6) 0.0328(19) Uani 1 1 d . C .
C22 C 0.8033(8) 0.7706(6) 0.8692(7) 0.040(2) Uani 1 1 d . . .
H22 H 0.7800 0.7334 0.9466 0.049 Uiso 1 1 calc R C .
C23 C 0.8536(8) 0.7099(6) 0.7960(8) 0.045(2) Uani 1 1 d . A .
C24 C 0.8800(8) 0.5860(6) 0.8467(7) 0.062(3) Uani 1 1 d D . .
S2 S 0.8336(6) 1.2204(3) 0.2233(4) 0.0415(13) Uani 0.639(8) 1 d PDU D 7
C25 C 0.865(3) 1.2900(13) 0.0852(8) 0.052(3) Uani 0.639(8) 1 d PDU D 7
C26 C 0.9247(18) 1.2353(13) 0.0104(14) 0.059(3) Uani 0.639(8) 1 d PDU D 7
C27 C 0.914(3) 1.1165(16) 0.0801(9) 0.056(4) Uani 0.639(8) 1 d PDU D 7
S2' S 0.9417(12) 1.1165(9) 0.0544(6) 0.055(2) Uani 0.361(8) 1 d PDU D 8
C25' C 0.854(5) 1.307(2) 0.104(2) 0.048(4) Uani 0.361(8) 1 d PDU D 8
C26' C 0.887(3) 1.2521(15) 0.027(3) 0.057(4) Uani 0.361(8) 1 d PDU D 8
C27' C 0.859(5) 1.2057(13) 0.200(3) 0.045(4) Uani 0.361(8) 1 d PDU D 8
C28 C 0.8861(7) 1.1022(5) 0.1916(6) 0.038(2) Uani 1 1 d D . .
C29 C 0.8822(7) 0.9998(6) 0.2864(6) 0.0320(19) Uani 1 1 d . D .
C30 C 0.9294(7) 0.8971(6) 0.2683(6) 0.036(2) Uani 1 1 d . . .
H30 H 0.9691 0.8947 0.1949 0.043 Uiso 1 1 calc R D .
C31 C 0.9183(7) 0.8000(6) 0.3563(7) 0.0326(19) Uani 1 1 d . B .
C32 C 0.9573(8) 0.6927(6) 0.3280(6) 0.050(2) Uani 1 1 d 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
Dy1 O1 2.310(4) 2_776 ?
Dy1 O3 2.319(5) . ?
Dy1 O2 2.333(5) . ?
Dy1 O4 2.335(5) . ?
Dy1 O5 2.350(5) . ?
Dy1 O1 2.414(4) . ?
Dy1 N1 2.470(6) . ?
Dy1 N2 2.657(5) . ?
Dy1 Dy1 3.8390(15) 2_776 ?
Br1 C14 1.916(8) . ?
F1 C24 1.332(8) . ?
F2 C24 1.363(8) . ?
F3 C24 1.336(8) . ?
F1' C24 1.357(10) . ?
F2' C24 1.338(10) . ?
F3' C24 1.351(10) . ?
F4 C32 1.344(8) . ?
F5 C32 1.338(7) . ?
F6 C32 1.341(8) . ?
F4' C32 1.344(10) . ?
F5' C32 1.356(10) . ?
F6' C32 1.344(10) . ?
O1 C2 1.352(8) . ?
O1 Dy1 2.310(4) 2_776 ?
O2 C21 1.263(8) . ?
O3 C23 1.251(9) . ?
O4 C29 1.257(9) . ?
O5 C31 1.268(8) . ?
N1 C9 1.324(8) . ?
N1 C1 1.364(8) . ?
N2 C10 1.288(9) . ?
N2 C11 1.427(8) . ?
C1 C6 1.397(10) . ?
C1 C2 1.447(9) . ?
C2 C3 1.375(9) . ?
C3 C4 1.414(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.361(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.425(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.429(10) . ?
C7 C8 1.375(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.406(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.474(9) . ?
C10 H10 0.9500 . ?
C11 C16 1.397(10) . ?
C11 C12 1.409(10) . ?
C12 C13 1.391(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.367(13) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(11) . ?
C15 C16 1.391(10) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
S1 C20 1.698(8) . ?
S1 C17 1.707(9) . ?
C17 C18 1.367(10) . ?
C18 C19 1.507(10) . ?
C19 C20 1.377(9) . ?
S1' C18' 1.43(4) . ?
S1' C20 1.696(9) . ?
C17' C18' 1.365(10) . ?
C17' C19' 1.364(10) . ?
C19' C20 1.56(6) . ?
C20 C21 1.462(10) . ?
C21 C22 1.437(10) . ?
C22 C23 1.388(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.532(11) . ?
S2 C28 1.691(7) . ?
S2 C25 1.702(9) . ?
C25 C26 1.362(9) . ?
C26 C27 1.508(10) . ?
C27 C28 1.373(10) . ?
S2' C28 1.694(8) . ?
S2' C26' 1.710(10) . ?
C25' C26' 1.362(10) . ?
C25' C27' 1.499(10) . ?
C27' C28 1.364(10) . ?
C28 C29 1.483(10) . ?
C29 C30 1.419(10) . ?
C30 C31 1.390(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.526(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
O1 Dy1 O3 88.36(16) 2_776 . ?
O1 Dy1 O2 104.31(16) 2_776 . ?
O3 Dy1 O2 72.35(18) . . ?
O1 Dy1 O4 89.81(16) 2_776 . ?
O3 Dy1 O4 148.79(18) . . ?
O2 Dy1 O4 137.86(17) . . ?
O1 Dy1 O5 82.28(16) 2_776 . ?
O3 Dy1 O5 78.81(18) . . ?
O2 Dy1 O5 150.09(16) . . ?
O4 Dy1 O5 70.07(16) . . ?
O1 Dy1 O1 71.33(18) 2_776 . ?
O3 Dy1 O1 136.59(16) . . ?
O2 Dy1 O1 76.11(16) . . ?
O4 Dy1 O1 71.22(16) . . ?
O5 Dy1 O1 132.63(16) . . ?
O1 Dy1 N1 138.60(16) 2_776 . ?
O3 Dy1 N1 126.28(18) . . ?
O2 Dy1 N1 71.62(18) . . ?
O4 Dy1 N1 71.78(18) . . ?
O5 Dy1 N1 122.31(18) . . ?
O1 Dy1 N1 67.71(16) . . ?
O1 Dy1 N2 157.29(17) 2_776 . ?
O3 Dy1 N2 73.85(17) . . ?
O2 Dy1 N2 83.98(17) . . ?
O4 Dy1 N2 98.11(17) . . ?
O5 Dy1 N2 80.51(18) . . ?
O1 Dy1 N2 131.38(17) . . ?
N1 Dy1 N2 63.98(17) . . ?
O1 Dy1 Dy1 36.57(10) 2_776 2_776 ?
O3 Dy1 Dy1 116.09(11) . 2_776 ?
O2 Dy1 Dy1 89.87(11) . 2_776 ?
O4 Dy1 Dy1 78.20(11) . 2_776 ?
O5 Dy1 Dy1 110.19(11) . 2_776 ?
O1 Dy1 Dy1 34.76(11) . 2_776 ?
N1 Dy1 Dy1 102.29(12) . 2_776 ?
N2 Dy1 Dy1 166.13(13) . 2_776 ?
C2 O1 Dy1 131.7(4) . 2_776 ?
C2 O1 Dy1 118.8(3) . . ?
Dy1 O1 Dy1 108.67(18) 2_776 . ?
C21 O2 Dy1 136.5(5) . . ?
C23 O3 Dy1 135.5(5) . . ?
C29 O4 Dy1 135.4(5) . . ?
C31 O5 Dy1 132.1(4) . . ?
C9 N1 C1 119.3(6) . . ?
C9 N1 Dy1 123.3(4) . . ?
C1 N1 Dy1 117.4(4) . . ?
C10 N2 C11 114.4(5) . . ?
C10 N2 Dy1 115.5(4) . . ?
C11 N2 Dy1 130.1(4) . . ?
N1 C1 C6 122.2(6) . . ?
N1 C1 C2 117.0(6) . . ?
C6 C1 C2 120.8(6) . . ?
O1 C2 C3 124.3(6) . . ?
O1 C2 C1 118.9(5) . . ?
C3 C2 C1 116.8(7) . . ?
C2 C3 C4 122.0(6) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
C5 C4 C3 121.6(6) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 118.5(7) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 120.2(6) . . ?
C1 C6 C7 117.7(7) . . ?
C5 C6 C7 122.1(7) . . ?
C8 C7 C6 119.2(7) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C7 C8 C9 119.1(6) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
N1 C9 C8 122.6(6) . . ?
N1 C9 C10 116.3(6) . . ?
C8 C9 C10 121.0(6) . . ?
N2 C10 C9 120.8(6) . . ?
N2 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C16 C11 C12 118.2(6) . . ?
C16 C11 N2 119.2(6) . . ?
C12 C11 N2 121.3(6) . . ?
C13 C12 C11 119.7(8) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 119.9(8) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 121.7(7) . . ?
C13 C14 Br1 120.0(6) . . ?
C15 C14 Br1 118.3(7) . . ?
C14 C15 C16 118.4(8) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 H15 120.8 . . ?
C15 C16 C11 121.0(7) . . ?
C15 C16 H16 119.5 . . ?
C11 C16 H16 119.5 . . ?
C20 S1 C17 94.5(9) . . ?
C18 C17 S1 113.8(16) . . ?
C17 C18 C19 106.6(19) . . ?
C20 C19 C18 115.0(15) . . ?
C18' S1' C20 90.9(16) . . ?
C18' C17' C19' 114(5) . . ?
C17' C18' S1' 120(4) . . ?
C17' C19' C20 101(4) . . ?
C19 C20 C21 133.1(8) . . ?
C19 C20 C19' 100.9(18) . . ?
C21 C20 C19' 126.0(17) . . ?
C19 C20 S1' 12.7(11) . . ?
C21 C20 S1' 123.2(6) . . ?
C19' C20 S1' 109.8(16) . . ?
C19 C20 S1 108.6(8) . . ?
C21 C20 S1 117.7(6) . . ?
C19' C20 S1 13.3(18) . . ?
S1' C20 S1 119.1(6) . . ?
O2 C21 C22 123.3(8) . . ?
O2 C21 C20 116.9(7) . . ?
C22 C21 C20 119.8(7) . . ?
C23 C22 C21 121.5(7) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
O3 C23 C22 127.8(7) . . ?
O3 C23 C24 115.3(8) . . ?
C22 C23 C24 116.9(8) . . ?
F1 C24 F2' 119.4(13) . . ?
F1 C24 F3 108.3(9) . . ?
F2' C24 F3 76.7(14) . . ?
F1 C24 F3' 57.4(13) . . ?
F2' C24 F3' 116.8(18) . . ?
F3 C24 F3' 54.4(14) . . ?
F1 C24 F1' 35.9(13) . . ?
F2' C24 F1' 99.3(17) . . ?
F3 C24 F1' 136.3(15) . . ?
F3' C24 F1' 92.6(18) . . ?
F1 C24 F2 105.5(9) . . ?
F2' C24 F2 30.1(12) . . ?
F3 C24 F2 106.6(9) . . ?
F3' C24 F2 134.8(12) . . ?
F1' C24 F2 75.2(14) . . ?
F1 C24 C23 113.4(8) . . ?
F2' C24 C23 120.3(14) . . ?
F3 C24 C23 111.5(7) . . ?
F3' C24 C23 113.9(11) . . ?
F1' C24 C23 107.9(15) . . ?
F2 C24 C23 111.2(9) . . ?
C28 S2 C25 88.9(7) . . ?
C26 C25 S2 119.5(13) . . ?
C25 C26 C27 103.0(15) . . ?
C28 C27 C26 112.7(15) . . ?
C28 S2' C26' 88.6(13) . . ?
C26' C25' C27' 95(3) . . ?
C25' C26' S2' 124(3) . . ?
C28 C27' C25' 124(3) . . ?
C27' C28 C27 105.0(17) . . ?
C27' C28 C29 125.0(15) . . ?
C27 C28 C29 130.0(10) . . ?
C27' C28 S2 10.0(18) . . ?
C27 C28 S2 113.1(10) . . ?
C29 C28 S2 116.5(5) . . ?
C27' C28 S2' 106.6(15) . . ?
C27 C28 S2' 7.6(16) . . ?
C29 C28 S2' 128.0(6) . . ?
S2 C28 S2' 115.4(6) . . ?
O4 C29 C30 122.6(7) . . ?
O4 C29 C28 116.7(7) . . ?
C30 C29 C28 120.7(7) . . ?
C31 C30 C29 121.0(7) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
O5 C31 C30 127.4(7) . . ?
O5 C31 C32 115.3(7) . . ?
C30 C31 C32 117.3(7) . . ?
F5 C32 F6 104.4(7) . . ?
F5 C32 F6' 41.6(17) . . ?
F6 C32 F6' 66.4(19) . . ?
F5 C32 F4' 128.6(19) . . ?
F6 C32 F4' 57(2) . . ?
F6' C32 F4' 114(3) . . ?
F5 C32 F4 107.1(7) . . ?
F6 C32 F4 106.0(8) . . ?
F6' C32 F4 132.7(19) . . ?
F4' C32 F4 51(2) . . ?
F5 C32 F5' 59.4(19) . . ?
F6 C32 F5' 141.1(16) . . ?
F6' C32 F5' 100(2) . . ?
F4' C32 F5' 103(3) . . ?
F4 C32 F5' 55.4(18) . . ?
F5 C32 C31 113.8(7) . . ?
F6 C32 C31 113.1(6) . . ?
F6' C32 C31 113.8(18) . . ?
F4' C32 C31 117.5(18) . . ?
F4 C32 C31 111.8(7) . . ?
F5' C32 C31 105.8(15) . . ?

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
O1 Dy1 O1 C2 170.9(6) 2_776 . . . ?
O3 Dy1 O1 C2 -122.7(5) . . . . ?
O2 Dy1 O1 C2 -78.4(5) . . . . ?
O4 Dy1 O1 C2 74.6(5) . . . . ?
O5 Dy1 O1 C2 111.2(5) . . . . ?
N1 Dy1 O1 C2 -2.9(5) . . . . ?
N2 Dy1 O1 C2 -9.6(6) . . . . ?
Dy1 Dy1 O1 C2 170.9(6) 2_776 . . . ?
O1 Dy1 O1 Dy1 0.0 2_776 . . 2_776 ?
O3 Dy1 O1 Dy1 66.4(3) . . . 2_776 ?
O2 Dy1 O1 Dy1 110.6(2) . . . 2_776 ?
O4 Dy1 O1 Dy1 -96.4(2) . . . 2_776 ?
O5 Dy1 O1 Dy1 -59.8(3) . . . 2_776 ?
N1 Dy1 O1 Dy1 -173.8(2) . . . 2_776 ?
N2 Dy1 O1 Dy1 179.42(18) . . . 2_776 ?
O1 Dy1 O2 C21 -103.5(6) 2_776 . . . ?
O3 Dy1 O2 C21 -19.9(6) . . . . ?
O4 Dy1 O2 C21 150.5(6) . . . . ?
O5 Dy1 O2 C21 -3.9(8) . . . . ?
O1 Dy1 O2 C21 -169.7(7) . . . . ?
N1 Dy1 O2 C21 119.6(7) . . . . ?
N2 Dy1 O2 C21 55.0(6) . . . . ?
Dy1 Dy1 O2 C21 -137.4(6) 2_776 . . . ?
O1 Dy1 O3 C23 117.5(7) 2_776 . . . ?
O2 Dy1 O3 C23 11.9(7) . . . . ?
O4 Dy1 O3 C23 -155.6(6) . . . . ?
O5 Dy1 O3 C23 -160.0(7) . . . . ?
O1 Dy1 O3 C23 57.3(7) . . . . ?
N1 Dy1 O3 C23 -38.0(7) . . . . ?
N2 Dy1 O3 C23 -76.8(7) . . . . ?
Dy1 Dy1 O3 C23 92.8(7) 2_776 . . . ?
O1 Dy1 O4 C29 45.8(6) 2_776 . . . ?
O3 Dy1 O4 C29 -40.7(8) . . . . ?
O2 Dy1 O4 C29 157.2(6) . . . . ?
O5 Dy1 O4 C29 -36.1(6) . . . . ?
O1 Dy1 O4 C29 116.1(6) . . . . ?
N1 Dy1 O4 C29 -171.9(7) . . . . ?
N2 Dy1 O4 C29 -112.8(6) . . . . ?
Dy1 Dy1 O4 C29 80.7(6) 2_776 . . . ?
O1 Dy1 O5 C31 -61.9(6) 2_776 . . . ?
O3 Dy1 O5 C31 -151.8(7) . . . . ?
O2 Dy1 O5 C31 -167.3(6) . . . . ?
O4 Dy1 O5 C31 30.7(6) . . . . ?
O1 Dy1 O5 C31 -6.2(7) . . . . ?
N1 Dy1 O5 C31 82.2(7) . . . . ?
N2 Dy1 O5 C31 133.0(7) . . . . ?
Dy1 Dy1 O5 C31 -37.9(7) 2_776 . . . ?
O1 Dy1 N1 C9 172.7(5) 2_776 . . . ?
O3 Dy1 N1 C9 -46.1(6) . . . . ?
O2 Dy1 N1 C9 -96.3(5) . . . . ?
O4 Dy1 N1 C9 105.0(5) . . . . ?
O5 Dy1 N1 C9 54.3(6) . . . . ?
O1 Dy1 N1 C9 -178.4(6) . . . . ?
N2 Dy1 N1 C9 -4.0(5) . . . . ?
Dy1 Dy1 N1 C9 178.0(5) 2_776 . . . ?
O1 Dy1 N1 C1 -6.2(6) 2_776 . . . ?
O3 Dy1 N1 C1 134.9(5) . . . . ?
O2 Dy1 N1 C1 84.8(5) . . . . ?
O4 Dy1 N1 C1 -74.0(5) . . . . ?
O5 Dy1 N1 C1 -124.7(5) . . . . ?
O1 Dy1 N1 C1 2.6(5) . . . . ?
N2 Dy1 N1 C1 177.0(5) . . . . ?
Dy1 Dy1 N1 C1 -1.0(5) 2_776 . . . ?
O1 Dy1 N2 C10 -171.5(5) 2_776 . . . ?
O3 Dy1 N2 C10 148.8(6) . . . . ?
O2 Dy1 N2 C10 75.5(5) . . . . ?
O4 Dy1 N2 C10 -62.1(5) . . . . ?
O5 Dy1 N2 C10 -130.2(5) . . . . ?
O1 Dy1 N2 C10 9.9(6) . . . . ?
N1 Dy1 N2 C10 3.0(5) . . . . ?
Dy1 Dy1 N2 C10 11.3(10) 2_776 . . . ?
O1 Dy1 N2 C11 9.5(9) 2_776 . . . ?
O3 Dy1 N2 C11 -30.3(6) . . . . ?
O2 Dy1 N2 C11 -103.6(6) . . . . ?
O4 Dy1 N2 C11 118.8(6) . . . . ?
O5 Dy1 N2 C11 50.7(6) . . . . ?
O1 Dy1 N2 C11 -169.1(5) . . . . ?
N1 Dy1 N2 C11 -176.1(6) . . . . ?
Dy1 Dy1 N2 C11 -167.7(4) 2_776 . . . ?
C9 N1 C1 C6 -0.8(10) . . . . ?
Dy1 N1 C1 C6 178.2(6) . . . . ?
C9 N1 C1 C2 178.7(6) . . . . ?
Dy1 N1 C1 C2 -2.3(8) . . . . ?
Dy1 O1 C2 C3 -6.7(11) 2_776 . . . ?
Dy1 O1 C2 C3 -175.2(6) . . . . ?
Dy1 O1 C2 C1 171.4(4) 2_776 . . . ?
Dy1 O1 C2 C1 2.9(8) . . . . ?
N1 C1 C2 O1 -0.4(10) . . . . ?
C6 C1 C2 O1 179.2(7) . . . . ?
N1 C1 C2 C3 177.9(7) . . . . ?
C6 C1 C2 C3 -2.5(11) . . . . ?
O1 C2 C3 C4 179.3(8) . . . . ?
C1 C2 C3 C4 1.1(12) . . . . ?
C2 C3 C4 C5 -0.1(14) . . . . ?
C3 C4 C5 C6 0.3(14) . . . . ?
N1 C1 C6 C5 -177.6(7) . . . . ?
C2 C1 C6 C5 2.8(12) . . . . ?
N1 C1 C6 C7 1.0(11) . . . . ?
C2 C1 C6 C7 -178.6(7) . . . . ?
C4 C5 C6 C1 -1.7(13) . . . . ?
C4 C5 C6 C7 179.8(8) . . . . ?
C1 C6 C7 C8 0.4(12) . . . . ?
C5 C6 C7 C8 179.0(8) . . . . ?
C6 C7 C8 C9 -1.9(12) . . . . ?
C1 N1 C9 C8 -0.7(10) . . . . ?
Dy1 N1 C9 C8 -179.7(5) . . . . ?
C1 N1 C9 C10 -176.4(6) . . . . ?
Dy1 N1 C9 C10 4.6(9) . . . . ?
C7 C8 C9 N1 2.1(11) . . . . ?
C7 C8 C9 C10 177.6(7) . . . . ?
C11 N2 C10 C9 177.1(6) . . . . ?
Dy1 N2 C10 C9 -2.1(9) . . . . ?
N1 C9 C10 N2 -1.3(11) . . . . ?
C8 C9 C10 N2 -177.1(7) . . . . ?
C10 N2 C11 C16 144.0(7) . . . . ?
Dy1 N2 C11 C16 -36.9(9) . . . . ?
C10 N2 C11 C12 -49.4(10) . . . . ?
Dy1 N2 C11 C12 129.7(6) . . . . ?
C16 C11 C12 C13 -10.9(12) . . . . ?
N2 C11 C12 C13 -177.7(8) . . . . ?
C11 C12 C13 C14 4.1(16) . . . . ?
C12 C13 C14 C15 2.2(17) . . . . ?
C12 C13 C14 Br1 -178.4(7) . . . . ?
C13 C14 C15 C16 -1.4(15) . . . . ?
Br1 C14 C15 C16 179.2(6) . . . . ?
C14 C15 C16 C11 -5.8(13) . . . . ?
C12 C11 C16 C15 11.9(12) . . . . ?
N2 C11 C16 C15 178.9(7) . . . . ?
C20 S1 C17 C18 5(2) . . . . ?
S1 C17 C18 C19 -10(3) . . . . ?
C17 C18 C19 C20 13(3) . . . . ?
C19' C17' C18' S1' 17(9) . . . . ?
C20 S1' C18' C17' -20(5) . . . . ?
C18' C17' C19' C20 -1(7) . . . . ?
C18 C19 C20 C21 179.2(17) . . . . ?
C18 C19 C20 C19' 1(3) . . . . ?
C18 C19 C20 S1' 136(8) . . . . ?
C18 C19 C20 S1 -10(3) . . . . ?
C17' C19' C20 C19 -2(5) . . . . ?
C17' C19' C20 C21 180(4) . . . . ?
C17' C19' C20 S1' -11(5) . . . . ?
C17' C19' C20 S1 125(12) . . . . ?
C18' S1' C20 C19 -29(6) . . . . ?
C18' S1' C20 C21 -173(2) . . . . ?
C18' S1' C20 C19' 18(3) . . . . ?
C18' S1' C20 S1 7(2) . . . . ?
C17 S1 C20 C19 3.5(16) . . . . ?
C17 S1 C20 C21 175.7(10) . . . . ?
C17 S1 C20 C19' -53(9) . . . . ?
C17 S1 C20 S1' -4.5(13) . . . . ?
Dy1 O2 C21 C22 18.9(11) . . . . ?
Dy1 O2 C21 C20 -161.4(5) . . . . ?
C19 C20 C21 O2 175.0(16) . . . . ?
C19' C20 C21 O2 -7(3) . . . . ?
S1' C20 C21 O2 -174.7(9) . . . . ?
S1 C20 C21 O2 5.2(10) . . . . ?
C19 C20 C21 C22 -5(2) . . . . ?
C19' C20 C21 C22 172(3) . . . . ?
S1' C20 C21 C22 5.0(13) . . . . ?
S1 C20 C21 C22 -175.1(6) . . . . ?
O2 C21 C22 C23 -0.6(12) . . . . ?
C20 C21 C22 C23 179.7(7) . . . . ?
Dy1 O3 C23 C22 -3.7(13) . . . . ?
Dy1 O3 C23 C24 175.2(4) . . . . ?
C21 C22 C23 O3 -6.6(14) . . . . ?
C21 C22 C23 C24 174.4(7) . . . . ?
O3 C23 C24 F1 -68.3(12) . . . . ?
C22 C23 C24 F1 110.8(12) . . . . ?
O3 C23 C24 F2' 141.1(17) . . . . ?
C22 C23 C24 F2' -39.8(19) . . . . ?
O3 C23 C24 F3 54.3(10) . . . . ?
C22 C23 C24 F3 -126.6(9) . . . . ?
O3 C23 C24 F3' -5(2) . . . . ?
C22 C23 C24 F3' 174.1(19) . . . . ?
O3 C23 C24 F1' -106.2(17) . . . . ?
C22 C23 C24 F1' 72.8(18) . . . . ?
O3 C23 C24 F2 173.1(9) . . . . ?
C22 C23 C24 F2 -7.8(12) . . . . ?
C28 S2 C25 C26 -6(2) . . . . ?
S2 C25 C26 C27 14(3) . . . . ?
C25 C26 C27 C28 -17(3) . . . . ?
C27' C25' C26' S2' -10(5) . . . . ?
C28 S2' C26' C25' 16(3) . . . . ?
C26' C25' C27' C28 -2(6) . . . . ?
C25' C27' C28 C27 4(6) . . . . ?
C25' C27' C28 C29 -175(4) . . . . ?
C25' C27' C28 S2 -141(17) . . . . ?
C25' C27' C28 S2' 12(5) . . . . ?
C26 C27 C28 C27' 9(3) . . . . ?
C26 C27 C28 C29 -172.3(13) . . . . ?
C26 C27 C28 S2 15(3) . . . . ?
C26 C27 C28 S2' -95(9) . . . . ?
C25 S2 C28 C27' 31(13) . . . . ?
C25 S2 C28 C27 -5.6(18) . . . . ?
C25 S2 C28 C29 -179.6(11) . . . . ?
C25 S2 C28 S2' 2.4(12) . . . . ?
C26' S2' C28 C27' -13(3) . . . . ?
C26' S2' C28 C27 66(9) . . . . ?
C26' S2' C28 C29 174.1(14) . . . . ?
C26' S2' C28 S2 -8.2(15) . . . . ?
Dy1 O4 C29 C30 29.2(11) . . . . ?
Dy1 O4 C29 C28 -153.3(5) . . . . ?
C27' C28 C29 O4 11(3) . . . . ?
C27 C28 C29 O4 -167.7(18) . . . . ?
S2 C28 C29 O4 5.2(9) . . . . ?
S2' C28 C29 O4 -177.2(8) . . . . ?
C27' C28 C29 C30 -171(3) . . . . ?
C27 C28 C29 C30 10(2) . . . . ?
S2 C28 C29 C30 -177.3(6) . . . . ?
S2' C28 C29 C30 0.3(12) . . . . ?
O4 C29 C30 C31 1.6(12) . . . . ?
C28 C29 C30 C31 -175.8(7) . . . . ?
Dy1 O5 C31 C30 -21.7(12) . . . . ?
Dy1 O5 C31 C32 160.8(5) . . . . ?
C29 C30 C31 O5 -4.4(12) . . . . ?
C29 C30 C31 C32 173.1(7) . . . . ?
O5 C31 C32 F5 -9.4(10) . . . . ?
C30 C31 C32 F5 172.8(8) . . . . ?
O5 C31 C32 F6 -128.3(8) . . . . ?
C30 C31 C32 F6 53.8(10) . . . . ?
O5 C31 C32 F6' -55(2) . . . . ?
C30 C31 C32 F6' 127(2) . . . . ?
O5 C31 C32 F4' 168(3) . . . . ?
C30 C31 C32 F4' -10(3) . . . . ?
O5 C31 C32 F4 112.2(9) . . . . ?
C30 C31 C32 F4 -65.6(10) . . . . ?
O5 C31 C32 F5' 54(2) . . . . ?
C30 C31 C32 F5' -124(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.054
_refine_diff_density_min         -1.614
_refine_diff_density_rms         0.159
####################################################################### 
# 
# 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 1425837'
_audit_update_record             
;
2015-09-18 deposited with the CCDC.
2015-11-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H35.50 Br Dy N3 O5.25'
_chemical_formula_weight         980.70

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   16.748(3)
_cell_length_b                   16.799(3)
_cell_length_c                   17.363(4)
_cell_angle_alpha                82.67(3)
_cell_angle_beta                 70.83(3)
_cell_angle_gamma                62.46(3)
_cell_volume                     4089.8(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    11803
_cell_measurement_theta_min      1.4405
_cell_measurement_theta_max      27.9183

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1950
_exptl_absorpt_coefficient_mu    2.856
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.5989
_exptl_absorpt_correction_T_max  0.7256
_exptl_absorpt_process_details   crystalclear

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  confocal
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            33645
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.37
_diffrn_reflns_theta_max         25.02
_reflns_number_total             14239
_reflns_number_gt                11650
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       crystalclear
_computing_cell_refinement       crystalclear
_computing_data_reduction        crystalclear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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)+(0.0479P)²+1.4882P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14239
_refine_ls_number_parameters     1096
_refine_ls_number_restraints     346
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1024
_refine_ls_wR_factor_gt          0.0954
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.002
_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
Dy1 Dy 0.426016(14) 0.446601(15) 0.482712(13) 0.01896(7) Uani 1 1 d . . .
Dy2 Dy 0.955894(15) 0.949755(15) 0.101960(14) 0.02123(8) Uani 1 1 d . . .
Br2 Br 0.95572(5) 0.55981(4) 0.41056(4) 0.04568(17) Uani 1 1 d . . .
O1 O 0.4340(2) 0.5835(2) 0.48982(19) 0.0199(7) Uani 1 1 d . . .
O2 O 0.5015(2) 0.4599(2) 0.34742(19) 0.0255(8) Uani 1 1 d . . .
O3 O 0.4996(2) 0.3068(2) 0.41825(19) 0.0229(7) Uani 1 1 d . . .
O4 O 0.4177(2) 0.3531(2) 0.5903(2) 0.0278(8) Uani 1 1 d . . .
O5 O 0.2838(2) 0.5219(2) 0.58633(19) 0.0255(8) Uani 1 1 d . . .
O6 O 0.9556(2) 1.0852(2) 0.03351(19) 0.0240(8) Uani 1 1 d . . .
O7 O 0.8112(2) 1.0294(2) 0.0759(2) 0.0257(8) Uani 1 1 d . . .
O8 O 0.9019(2) 0.8498(2) 0.0880(2) 0.0259(8) Uani 1 1 d . . .
O9 O 1.0625(2) 0.8096(2) 0.1341(2) 0.0279(8) Uani 1 1 d . . .
O10 O 1.0645(2) 0.9690(2) 0.1398(2) 0.0305(8) Uani 1 1 d . . .
N1 N 0.3090(3) 0.5755(3) 0.4286(2) 0.0222(9) Uani 1 1 d . A .
N2 N 0.3033(3) 0.4166(2) 0.4368(2) 0.0244(9) Uani 1 1 d D . .
N3 N 0.8715(3) 1.0842(3) 0.1946(2) 0.0245(9) Uani 1 1 d . . .
N4 N 0.8824(3) 0.9239(3) 0.2585(3) 0.0260(10) Uani 1 1 d . . .
C1 C 0.3048(3) 0.6569(3) 0.4345(3) 0.0200(11) Uani 1 1 d . . .
C2 C 0.3715(3) 0.6606(3) 0.4681(3) 0.0193(10) Uani 1 1 d . . .
C3 C 0.3647(3) 0.7438(3) 0.4775(3) 0.0246(11) Uani 1 1 d . . .
H3 H 0.4064 0.7485 0.5007 0.029 Uiso 1 1 calc R . .
C4 C 0.2973(4) 0.8219(3) 0.4533(3) 0.0293(12) Uani 1 1 d . . .
H4 H 0.2964 0.8778 0.4593 0.035 Uiso 1 1 calc R . .
C5 C 0.2330(4) 0.8212(3) 0.4216(3) 0.0325(13) Uani 1 1 d . . .
H5 H 0.1879 0.8753 0.4063 0.039 Uiso 1 1 calc R . .
C6 C 0.2352(3) 0.7370(3) 0.4119(3) 0.0250(11) Uani 1 1 d . . .
C7 C 0.1729(4) 0.7277(4) 0.3797(3) 0.0318(13) Uani 1 1 d . . .
H7 H 0.1268 0.7790 0.3622 0.038 Uiso 1 1 calc R . .
C8 C 0.1788(4) 0.6446(4) 0.3736(3) 0.0329(13) Uani 1 1 d . A .
H8 H 0.1375 0.6376 0.3515 0.040 Uiso 1 1 calc R . .
C9 C 0.2470(3) 0.5700(3) 0.4006(3) 0.0252(11) Uani 1 1 d . . .
C10 C 0.2491(4) 0.4826(4) 0.4038(3) 0.0298(12) Uani 1 1 d . A .
H10 H 0.2092 0.4742 0.3808 0.036 Uiso 1 1 calc R . .
Br1 Br 0.25805(16) 0.07489(11) 0.45346(6) 0.0394(4) Uani 0.846(8) 1 d PDU A 1
C11 C 0.2971(5) 0.3347(3) 0.4365(4) 0.0267(16) Uani 0.846(8) 1 d PGDU A 1
C12 C 0.2845(4) 0.3067(3) 0.3713(3) 0.0358(17) Uani 0.846(8) 1 d PGU A 1
C13 C 0.2744(4) 0.2284(3) 0.3761(3) 0.0387(16) Uani 0.846(8) 1 d PGU A 1
C14 C 0.2769(4) 0.1781(2) 0.4462(3) 0.0268(15) Uani 0.846(8) 1 d PGDU A 1
C15 C 0.2895(5) 0.2062(4) 0.5114(3) 0.0317(16) Uani 0.846(8) 1 d PGU A 1
C16 C 0.2996(6) 0.2845(4) 0.5065(4) 0.0296(15) Uani 0.846(8) 1 d PGU A 1
Br1' Br 0.3084(15) 0.0479(8) 0.4469(6) 0.066(3) Uani 0.154(8) 1 d PDU A 2
C11' C 0.313(3) 0.3266(14) 0.441(3) 0.030(4) Uani 0.154(8) 1 d PGDU A 2
C12' C 0.319(2) 0.2887(17) 0.371(2) 0.030(4) Uani 0.154(8) 1 d PGU A 2
C13' C 0.319(2) 0.2058(17) 0.3740(17) 0.027(3) Uani 0.154(8) 1 d PGU A 2
C14' C 0.312(2) 0.1608(11) 0.447(2) 0.031(4) Uani 0.154(8) 1 d PGDU A 2
C15' C 0.305(3) 0.1986(19) 0.5168(18) 0.032(4) Uani 0.154(8) 1 d PGU A 2
C16' C 0.306(4) 0.281(2) 0.514(2) 0.033(4) Uani 0.154(8) 1 d PGU A 2
C17 C 0.5795(4) 0.5361(4) 0.2129(3) 0.0381(14) Uani 1 1 d . . .
H17 H 0.5608 0.5617 0.2654 0.046 Uiso 1 1 calc R . .
C18 C 0.6137(5) 0.5768(4) 0.1434(4) 0.0539(18) Uani 1 1 d . . .
H18 H 0.6189 0.6296 0.1488 0.065 Uiso 1 1 calc R . .
C19 C 0.6400(4) 0.5406(4) 0.0667(3) 0.0393(14) Uani 1 1 d . . .
H19 H 0.6633 0.5685 0.0196 0.047 Uiso 1 1 calc R . .
C20 C 0.6324(5) 0.4646(4) 0.0586(4) 0.0478(17) Uani 1 1 d . . .
H20 H 0.6496 0.4401 0.0059 0.057 Uiso 1 1 calc R . .
C21 C 0.5992(4) 0.4230(4) 0.1284(3) 0.0458(16) Uani 1 1 d . . .
H21 H 0.5947 0.3699 0.1227 0.055 Uiso 1 1 calc R . .
C22 C 0.5729(3) 0.4585(3) 0.2055(3) 0.0275(12) Uani 1 1 d . . .
C23 C 0.5405(3) 0.4133(3) 0.2814(3) 0.0208(11) Uani 1 1 d . . .
C24 C 0.5589(4) 0.3238(3) 0.2773(3) 0.0297(12) Uani 1 1 d . . .
H24 H 0.5852 0.2952 0.2250 0.036 Uiso 1 1 calc R . .
C25 C 0.5409(3) 0.2739(3) 0.3456(3) 0.0229(11) Uani 1 1 d . . .
C26 C 0.5729(3) 0.1751(3) 0.3369(3) 0.0242(11) Uani 1 1 d . . .
C27 C 0.6262(4) 0.1258(4) 0.2640(3) 0.0383(14) Uani 1 1 d . . .
H27 H 0.6438 0.1551 0.2156 0.046 Uiso 1 1 calc R . .
C28 C 0.6537(4) 0.0352(4) 0.2609(4) 0.0437(15) Uani 1 1 d . . .
H28 H 0.6898 0.0029 0.2103 0.052 Uiso 1 1 calc R . .
C29 C 0.6301(4) -0.0089(4) 0.3290(4) 0.0423(15) Uani 1 1 d . . .
H29 H 0.6489 -0.0714 0.3258 0.051 Uiso 1 1 calc R . .
C30 C 0.5789(4) 0.0373(4) 0.4023(4) 0.0400(14) Uani 1 1 d . . .
H30 H 0.5630 0.0066 0.4503 0.048 Uiso 1 1 calc R . .
C31 C 0.5502(3) 0.1286(3) 0.4064(3) 0.0289(12) Uani 1 1 d . . .
H31 H 0.5145 0.1601 0.4574 0.035 Uiso 1 1 calc R . .
C32 C 0.4682(4) 0.1861(4) 0.6563(4) 0.0511(17) Uani 1 1 d . . .
H32 H 0.4976 0.1915 0.6002 0.061 Uiso 1 1 calc R . .
C33 C 0.5010(5) 0.1020(4) 0.6921(4) 0.0547(18) Uani 1 1 d . . .
H33 H 0.5498 0.0495 0.6610 0.066 Uiso 1 1 calc R . .
C34 C 0.4577(5) 0.0990(5) 0.7772(5) 0.077(3) Uani 1 1 d . . .
H34 H 0.4858 0.0471 0.8064 0.092 Uiso 1 1 calc R . .
C35 C 0.3791(4) 0.1674(4) 0.8155(4) 0.0433(16) Uani 1 1 d . . .
H35 H 0.3452 0.1610 0.8699 0.052 Uiso 1 1 calc R . .
C36 C 0.3449(4) 0.2482(4) 0.7786(4) 0.0429(16) Uani 1 1 d . . .
H36 H 0.2861 0.2951 0.8075 0.051 Uiso 1 1 calc R . .
C37 C 0.3910(3) 0.2643(4) 0.7029(3) 0.0324(13) Uani 1 1 d . . .
C38 C 0.3593(3) 0.3500(3) 0.6591(3) 0.0230(11) Uani 1 1 d . . .
C39 C 0.2681(3) 0.4205(3) 0.6901(3) 0.0224(11) Uani 1 1 d . . .
H39 H 0.2278 0.4134 0.7408 0.027 Uiso 1 1 calc R . .
C40 C 0.2339(3) 0.5013(3) 0.6489(3) 0.0223(11) Uani 1 1 d . . .
C41 C 0.1301(4) 0.5633(3) 0.6769(3) 0.0285(12) Uani 1 1 d . . .
C42 C 0.0723(4) 0.5632(4) 0.7557(3) 0.0395(15) Uani 1 1 d . . .
H42 H 0.0996 0.5279 0.7960 0.047 Uiso 1 1 calc R . .
C43 C -0.0255(4) 0.6146(4) 0.7755(4) 0.0529(18) Uani 1 1 d . . .
H43 H -0.0647 0.6144 0.8293 0.063 Uiso 1 1 calc R . .
C44 C -0.0653(4) 0.6658(4) 0.7174(4) 0.0560(19) Uani 1 1 d . . .
H44 H -0.1321 0.6991 0.7307 0.067 Uiso 1 1 calc R . .
C45 C -0.0085(4) 0.6690(4) 0.6399(4) 0.0435(15) Uani 1 1 d . . .
H45 H -0.0359 0.7052 0.6000 0.052 Uiso 1 1 calc R . .
C46 C 0.0892(4) 0.6185(3) 0.6206(3) 0.0338(13) Uani 1 1 d . . .
H46 H 0.1284 0.6221 0.5679 0.041 Uiso 1 1 calc R . .
C47 C 0.8675(3) 1.1631(3) 0.1625(3) 0.0221(11) Uani 1 1 d . . .
C48 C 0.9101(3) 1.1633(3) 0.0763(3) 0.0246(11) Uani 1 1 d . . .
C49 C 0.9027(3) 1.2441(3) 0.0423(3) 0.0296(12) Uani 1 1 d . . .
H49 H 0.9280 1.2471 -0.0150 0.035 Uiso 1 1 calc R . .
C50 C 0.8582(4) 1.3222(3) 0.0917(3) 0.0341(13) Uani 1 1 d . . .
H50 H 0.8541 1.3770 0.0663 0.041 Uiso 1 1 calc R . .
C51 C 0.8205(4) 1.3231(3) 0.1747(3) 0.0348(13) Uani 1 1 d . . .
H51 H 0.7926 1.3767 0.2065 0.042 Uiso 1 1 calc R . .
C52 C 0.8243(3) 1.2424(3) 0.2115(3) 0.0291(12) Uani 1 1 d . . .
C53 C 0.7871(4) 1.2358(3) 0.2967(3) 0.0338(13) Uani 1 1 d . . .
H53 H 0.7578 1.2871 0.3317 0.041 Uiso 1 1 calc R . .
C54 C 0.7935(4) 1.1555(3) 0.3279(3) 0.0348(13) Uani 1 1 d . . .
H54 H 0.7693 1.1502 0.3850 0.042 Uiso 1 1 calc R . .
C55 C 0.8360(4) 1.0805(3) 0.2752(3) 0.0305(12) Uani 1 1 d . . .
C56 C 0.8457(4) 0.9920(4) 0.3057(3) 0.0328(13) Uani 1 1 d . . .
H56 H 0.8236 0.9853 0.3628 0.039 Uiso 1 1 calc R . .
C57 C 0.8958(3) 0.8404(3) 0.2962(3) 0.0284(12) Uani 1 1 d . . .
C58 C 0.9316(4) 0.8153(3) 0.3627(3) 0.0296(12) Uani 1 1 d . . .
H58 H 0.9456 0.8551 0.3840 0.035 Uiso 1 1 calc R . .
C59 C 0.9463(4) 0.7334(4) 0.3972(3) 0.0333(13) Uani 1 1 d . . .
H59 H 0.9700 0.7166 0.4426 0.040 Uiso 1 1 calc R . .
C60 C 0.9266(4) 0.6756(3) 0.3658(3) 0.0327(13) Uani 1 1 d . . .
C61 C 0.8908(4) 0.6993(4) 0.3012(3) 0.0354(13) Uani 1 1 d . . .
H61 H 0.8777 0.6587 0.2800 0.042 Uiso 1 1 calc R . .
C62 C 0.8740(4) 0.7818(3) 0.2672(3) 0.0305(12) Uani 1 1 d . . .
H62 H 0.8472 0.7989 0.2237 0.037 Uiso 1 1 calc R . .
C63 C 0.6862(4) 1.1754(4) 0.0200(4) 0.0417(15) Uani 1 1 d . . .
H63 H 0.7266 1.1811 0.0443 0.050 Uiso 1 1 calc R . .
C64 C 0.6204(5) 1.2523(4) -0.0073(4) 0.0569(19) Uani 1 1 d . . .
H64 H 0.6173 1.3095 -0.0030 0.068 Uiso 1 1 calc R . .
C65 C 0.5612(5) 1.2434(5) -0.0402(4) 0.073(2) Uani 1 1 d . . .
H65 H 0.5156 1.2953 -0.0576 0.087 Uiso 1 1 calc R . .
C66 C 0.5660(5) 1.1618(5) -0.0487(6) 0.086(3) Uani 1 1 d . . .
H66 H 0.5248 1.1568 -0.0725 0.103 Uiso 1 1 calc R . .
C67 C 0.6316(4) 1.0856(4) -0.0222(5) 0.064(2) Uani 1 1 d . . .
H67 H 0.6346 1.0287 -0.0278 0.077 Uiso 1 1 calc R . .
C68 C 0.6926(4) 1.0916(4) 0.0121(3) 0.0335(13) Uani 1 1 d . . .
C69 C 0.7661(3) 1.0119(3) 0.0404(3) 0.0261(12) Uani 1 1 d . . .
C70 C 0.7805(3) 0.9249(3) 0.0267(3) 0.0268(12) Uani 1 1 d . . .
H70 H 0.7436 0.9182 -0.0011 0.032 Uiso 1 1 calc R . .
C71 C 0.8467(4) 0.8480(3) 0.0523(3) 0.0252(11) Uani 1 1 d . . .
C72 C 0.8547(3) 0.7578(3) 0.0424(3) 0.0262(12) Uani 1 1 d . . .
C73 C 0.8024(4) 0.7423(4) 0.0028(3) 0.0323(13) Uani 1 1 d . . .
H73 H 0.7618 0.7906 -0.0222 0.039 Uiso 1 1 calc R . .
C74 C 0.8089(4) 0.6568(4) -0.0006(3) 0.0392(15) Uani 1 1 d . . .
H74 H 0.7723 0.6476 -0.0270 0.047 Uiso 1 1 calc R . .
C75 C 0.8682(4) 0.5862(4) 0.0342(4) 0.0404(15) Uani 1 1 d . . .
H75 H 0.8715 0.5284 0.0326 0.049 Uiso 1 1 calc R . .
C76 C 0.9231(4) 0.5985(4) 0.0716(3) 0.0362(14) Uani 1 1 d . . .
H76 H 0.9651 0.5492 0.0947 0.043 Uiso 1 1 calc R . .
C77 C 0.9161(4) 0.6836(3) 0.0751(3) 0.0300(12) Uani 1 1 d . . .
H77 H 0.9542 0.6918 0.1006 0.036 Uiso 1 1 calc R . .
C78 C 1.1358(4) 0.6286(4) 0.1709(4) 0.0419(15) Uani 1 1 d . . .
H78 H 1.0726 0.6579 0.1688 0.050 Uiso 1 1 calc R . .
C79 C 1.1791(5) 0.5365(4) 0.1771(4) 0.0562(18) Uani 1 1 d . . .
H79 H 1.1453 0.5031 0.1801 0.067 Uiso 1 1 calc R . .
C80 C 1.2707(5) 0.4932(4) 0.1789(4) 0.0576(19) Uani 1 1 d . . .
H80 H 1.3005 0.4297 0.1829 0.069 Uiso 1 1 calc R . .
C81 C 1.3191(4) 0.5407(5) 0.1751(4) 0.0544(19) Uani 1 1 d . . .
H81 H 1.3826 0.5100 0.1762 0.065 Uiso 1 1 calc R . .
C82 C 1.2770(4) 0.6333(4) 0.1695(4) 0.0428(15) Uani 1 1 d . . .
H82 H 1.3114 0.6659 0.1669 0.051 Uiso 1 1 calc R . .
C83 C 1.1829(4) 0.6789(4) 0.1677(3) 0.0319(13) Uani 1 1 d . . .
C84 C 1.1336(3) 0.7786(3) 0.1607(3) 0.0274(12) Uani 1 1 d . . .
C85 C 1.1647(4) 0.8330(4) 0.1845(3) 0.0316(13) Uani 1 1 d . . .
H85 H 1.2127 0.8057 0.2104 0.038 Uiso 1 1 calc R . .
C86 C 1.1292(4) 0.9249(4) 0.1722(3) 0.0291(12) Uani 1 1 d . . .
C87 C 1.1686(4) 0.9794(4) 0.1957(3) 0.0369(14) Uani 1 1 d . . .
C88 C 1.1372(5) 1.0675(4) 0.1747(3) 0.0472(17) Uani 1 1 d . . .
H88 H 1.0892 1.0937 0.1488 0.057 Uiso 1 1 calc R . .
C89 C 1.1760(6) 1.1188(5) 0.1912(4) 0.072(2) Uani 1 1 d . . .
H89 H 1.1544 1.1800 0.1766 0.086 Uiso 1 1 calc R . .
C90 C 1.2456(7) 1.0803(7) 0.2288(5) 0.094(3) Uani 1 1 d . . .
H90 H 1.2734 1.1146 0.2384 0.113 Uiso 1 1 calc R . .
C91 C 1.2746(7) 0.9939(6) 0.2521(5) 0.086(3) Uani 1 1 d . . .
H91 H 1.3206 0.9689 0.2801 0.103 Uiso 1 1 calc R . .
C92 C 1.2380(5) 0.9423(5) 0.2356(4) 0.063(2) Uani 1 1 d . . .
H92 H 1.2597 0.8814 0.2512 0.076 Uiso 1 1 calc R . .
N5 N 0.9841(4) -0.0272(4) 0.4094(4) 0.0606(16) Uani 1 1 d DU . .
C93 C 0.9896(5) 0.0375(4) 0.4052(4) 0.0467(16) Uani 1 1 d DU . .
C94 C 0.9985(5) 0.1230(4) 0.3992(4) 0.0567(18) Uani 1 1 d DU . .
H94A H 1.0006 0.1368 0.4515 0.085 Uiso 1 1 calc R . .
H94B H 0.9440 0.1720 0.3860 0.085 Uiso 1 1 calc R . .
H94C H 1.0568 0.1160 0.3563 0.085 Uiso 1 1 calc R . .
N6 N 0.6937(4) 0.7385(4) 0.8531(4) 0.0720(18) Uani 1 1 d DU . .
C95 C 0.6312(4) 0.7617(4) 0.8432(4) 0.0426(15) Uani 1 1 d DU . .
C96 C 0.5395(5) 0.8038(6) 0.8220(6) 0.101(3) Uani 1 1 d DU . .
H96A H 0.5461 0.8387 0.7726 0.152 Uiso 1 1 calc R . .
H96B H 0.4882 0.8434 0.8672 0.152 Uiso 1 1 calc R . .
H96C H 0.5250 0.7564 0.8123 0.152 Uiso 1 1 calc R . .
O11 O 0.4332(8) 0.0809(7) 0.0690(8) 0.097(4) Uani 0.50 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
Dy1 O4 2.293(3) . ?
Dy1 O2 2.312(3) . ?
Dy1 O3 2.319(3) . ?
Dy1 O5 2.343(3) . ?
Dy1 O1 2.357(3) 2_666 ?
Dy1 O1 2.386(3) . ?
Dy1 N1 2.485(4) . ?
Dy1 N2 2.694(4) . ?
Dy1 Dy1 3.8836(9) 2_666 ?
Dy2 O10 2.286(3) . ?
Dy2 O6 2.309(3) 2_775 ?
Dy2 O8 2.312(3) . ?
Dy2 O7 2.332(3) . ?
Dy2 O9 2.340(3) . ?
Dy2 O6 2.427(3) . ?
Dy2 N3 2.483(4) . ?
Dy2 N4 2.663(4) . ?
Dy2 Dy2 3.8621(13) 2_775 ?
Br2 C60 1.901(5) . ?
O1 C2 1.340(5) . ?
O1 Dy1 2.357(3) 2_666 ?
O2 C23 1.272(5) . ?
O3 C25 1.275(6) . ?
O4 C38 1.285(6) . ?
O5 C40 1.255(5) . ?
O6 C48 1.345(6) . ?
O6 Dy2 2.309(3) 2_775 ?
O7 C69 1.262(6) . ?
O8 C71 1.283(6) . ?
O9 C84 1.276(6) . ?
O10 C86 1.260(6) . ?
N1 C9 1.325(6) . ?
N1 C1 1.352(6) . ?
N2 C10 1.277(6) . ?
N2 C11 1.427(4) . ?
N2 C11' 1.440(8) . ?
N3 C55 1.335(6) . ?
N3 C47 1.353(6) . ?
N4 C56 1.270(6) . ?
N4 C57 1.421(6) . ?
C1 C6 1.428(7) . ?
C1 C2 1.446(6) . ?
C2 C3 1.375(6) . ?
C3 C4 1.405(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.367(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.427(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.409(7) . ?
C7 C8 1.367(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.405(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.446(7) . ?
C10 H10 0.9500 . ?
Br1 C14 1.884(3) . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
Br1' C14' 1.924(8) . ?
C11' C12' 1.3900 . ?
C11' C16' 1.3900 . ?
C12' C13' 1.3900 . ?
C13' C14' 1.3900 . ?
C14' C15' 1.3900 . ?
C15' C16' 1.3900 . ?
C17 C22 1.383(7) . ?
C17 C18 1.397(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.382(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.368(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.403(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.505(7) . ?
C23 C24 1.394(7) . ?
C24 C25 1.396(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.500(7) . ?
C26 C27 1.388(7) . ?
C26 C31 1.394(7) . ?
C27 C28 1.374(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.358(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.370(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(7) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.402(8) . ?
C32 C37 1.438(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.422(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.311(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.371(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.353(7) . ?
C36 H36 0.9500 . ?
C37 C38 1.488(7) . ?
C38 C39 1.406(6) . ?
C39 C40 1.408(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.498(7) . ?
C41 C46 1.381(7) . ?
C41 C42 1.392(7) . ?
C42 C43 1.395(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.375(9) . ?
C43 H43 0.9500 . ?
C44 C45 1.381(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(7) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.420(7) . ?
C47 C48 1.431(7) . ?
C48 C49 1.376(7) . ?
C49 C50 1.406(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.370(8) . ?
C50 H50 0.9500 . ?
C51 C52 1.405(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.416(7) . ?
C53 C54 1.356(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.404(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.465(7) . ?
C56 H56 0.9500 . ?
C57 C62 1.391(7) . ?
C57 C58 1.403(7) . ?
C58 C59 1.374(7) . ?
C58 H58 0.9500 . ?
C59 C60 1.376(7) . ?
C59 H59 0.9500 . ?
C60 C61 1.373(7) . ?
C61 C62 1.374(7) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.382(8) . ?
C63 C64 1.406(8) . ?
C63 H63 0.9500 . ?
C64 C65 1.365(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.359(10) . ?
C65 H65 0.9500 . ?
C66 C67 1.393(9) . ?
C66 H66 0.9500 . ?
C67 C68 1.385(8) . ?
C67 H67 0.9500 . ?
C68 C69 1.502(7) . ?
C69 C70 1.405(7) . ?
C70 C71 1.395(7) . ?
C70 H70 0.9500 . ?
C71 C72 1.486(7) . ?
C72 C77 1.397(7) . ?
C72 C73 1.400(7) . ?
C73 C74 1.396(7) . ?
C73 H73 0.9500 . ?
C74 C75 1.370(8) . ?
C74 H74 0.9500 . ?
C75 C76 1.384(8) . ?
C75 H75 0.9500 . ?
C76 C77 1.388(7) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C78 C79 1.379(8) . ?
C78 C83 1.385(8) . ?
C78 H78 0.9500 . ?
C79 C80 1.371(9) . ?
C79 H79 0.9500 . ?
C80 C81 1.360(9) . ?
C80 H80 0.9500 . ?
C81 C82 1.386(8) . ?
C81 H81 0.9500 . ?
C82 C83 1.407(7) . ?
C82 H82 0.9500 . ?
C83 C84 1.496(7) . ?
C84 C85 1.398(7) . ?
C85 C86 1.391(7) . ?
C85 H85 0.9500 . ?
C86 C87 1.506(7) . ?
C87 C88 1.367(8) . ?
C87 C92 1.404(8) . ?
C88 C89 1.396(8) . ?
C88 H88 0.9500 . ?
C89 C90 1.378(11) . ?
C89 H89 0.9500 . ?
C90 C91 1.354(11) . ?
C90 H90 0.9500 . ?
C91 C92 1.370(9) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
N5 C93 1.123(6) . ?
C93 C94 1.498(6) . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
N6 C95 1.001(6) . ?
C95 C96 1.514(7) . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?

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
O4 Dy1 O2 146.89(12) . . ?
O4 Dy1 O3 77.46(12) . . ?
O2 Dy1 O3 71.80(11) . . ?
O4 Dy1 O5 70.99(11) . . ?
O2 Dy1 O5 140.94(12) . . ?
O3 Dy1 O5 133.36(11) . . ?
O4 Dy1 O1 80.51(11) . 2_666 ?
O2 Dy1 O1 87.55(11) . 2_666 ?
O3 Dy1 O1 90.29(11) . 2_666 ?
O5 Dy1 O1 116.51(11) . 2_666 ?
O4 Dy1 O1 123.83(12) . . ?
O2 Dy1 O1 79.41(11) . . ?
O3 Dy1 O1 145.79(11) . . ?
O5 Dy1 O1 80.84(11) . . ?
O1 Dy1 O1 70.06(12) 2_666 . ?
O4 Dy1 N1 135.36(12) . . ?
O2 Dy1 N1 72.56(12) . . ?
O3 Dy1 N1 118.79(12) . . ?
O5 Dy1 N1 68.78(12) . . ?
O1 Dy1 N1 135.39(12) 2_666 . ?
O1 Dy1 N1 67.28(12) . . ?
O4 Dy1 N2 90.67(12) . . ?
O2 Dy1 N2 89.67(12) . . ?
O3 Dy1 N2 69.07(11) . . ?
O5 Dy1 N2 77.73(12) . . ?
O1 Dy1 N2 158.96(11) 2_666 . ?
O1 Dy1 N2 129.77(11) . . ?
N1 Dy1 N2 62.68(12) . . ?
O4 Dy1 Dy1 104.00(9) . 2_666 ?
O2 Dy1 Dy1 82.02(8) . 2_666 ?
O3 Dy1 Dy1 120.74(8) . 2_666 ?
O5 Dy1 Dy1 99.97(8) . 2_666 ?
O1 Dy1 Dy1 35.28(7) 2_666 2_666 ?
O1 Dy1 Dy1 34.79(7) . 2_666 ?
N1 Dy1 Dy1 101.23(9) . 2_666 ?
N2 Dy1 Dy1 163.63(8) . 2_666 ?
O10 Dy2 O6 95.88(12) . 2_775 ?
O10 Dy2 O8 146.03(12) . . ?
O6 Dy2 O8 85.57(11) 2_775 . ?
O10 Dy2 O7 142.19(12) . . ?
O6 Dy2 O7 94.83(12) 2_775 . ?
O8 Dy2 O7 70.93(11) . . ?
O10 Dy2 O9 71.65(12) . . ?
O6 Dy2 O9 88.17(12) 2_775 . ?
O8 Dy2 O9 74.48(11) . . ?
O7 Dy2 O9 144.91(11) . . ?
O10 Dy2 O6 76.58(12) . . ?
O6 Dy2 O6 70.76(13) 2_775 . ?
O8 Dy2 O6 134.52(11) . . ?
O7 Dy2 O6 73.02(11) . . ?
O9 Dy2 O6 139.60(11) . . ?
O10 Dy2 N3 71.37(13) . . ?
O6 Dy2 N3 137.03(12) 2_775 . ?
O8 Dy2 N3 127.93(12) . . ?
O7 Dy2 N3 76.14(12) . . ?
O9 Dy2 N3 123.15(13) . . ?
O6 Dy2 N3 66.40(12) . . ?
O10 Dy2 N4 87.24(13) . . ?
O6 Dy2 N4 158.69(12) 2_775 . ?
O8 Dy2 N4 80.30(12) . . ?
O7 Dy2 N4 95.51(12) . . ?
O9 Dy2 N4 72.77(13) . . ?
O6 Dy2 N4 130.24(12) . . ?
N3 Dy2 N4 63.84(13) . . ?
O10 Dy2 Dy2 85.15(9) . 2_775 ?
O6 Dy2 Dy2 36.40(8) 2_775 2_775 ?
O8 Dy2 Dy2 113.23(9) . 2_775 ?
O7 Dy2 Dy2 82.35(9) . 2_775 ?
O9 Dy2 Dy2 117.35(9) . 2_775 ?
O6 Dy2 Dy2 34.37(8) . 2_775 ?
N3 Dy2 Dy2 100.71(10) . 2_775 ?
N4 Dy2 Dy2 164.35(9) . 2_775 ?
C2 O1 Dy1 129.1(3) . 2_666 ?
C2 O1 Dy1 120.2(3) . . ?
Dy1 O1 Dy1 109.93(12) 2_666 . ?
C23 O2 Dy1 137.7(3) . . ?
C25 O3 Dy1 137.7(3) . . ?
C38 O4 Dy1 140.0(3) . . ?
C40 O5 Dy1 137.1(3) . . ?
C48 O6 Dy2 131.1(3) . 2_775 ?
C48 O6 Dy2 119.7(3) . . ?
Dy2 O6 Dy2 109.24(13) 2_775 . ?
C69 O7 Dy2 135.3(3) . . ?
C71 O8 Dy2 136.7(3) . . ?
C84 O9 Dy2 137.3(3) . . ?
C86 O10 Dy2 138.9(3) . . ?
C9 N1 C1 119.0(4) . . ?
C9 N1 Dy1 124.1(3) . . ?
C1 N1 Dy1 116.7(3) . . ?
C10 N2 C11 115.5(5) . . ?
C10 N2 C11' 125.7(17) . . ?
C11 N2 C11' 10.6(19) . . ?
C10 N2 Dy1 115.3(3) . . ?
C11 N2 Dy1 128.9(4) . . ?
C11' N2 Dy1 118.4(17) . . ?
C55 N3 C47 118.7(4) . . ?
C55 N3 Dy2 122.9(3) . . ?
C47 N3 Dy2 118.3(3) . . ?
C56 N4 C57 116.8(4) . . ?
C56 N4 Dy2 115.0(3) . . ?
C57 N4 Dy2 127.0(3) . . ?
N1 C1 C6 121.9(4) . . ?
N1 C1 C2 117.3(4) . . ?
C6 C1 C2 120.7(4) . . ?
O1 C2 C3 124.4(4) . . ?
O1 C2 C1 118.2(4) . . ?
C3 C2 C1 117.4(4) . . ?
C2 C3 C4 121.4(5) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 122.9(5) . . ?
C5 C4 H4 118.6 . . ?
C3 C4 H4 118.6 . . ?
C4 C5 C6 118.3(5) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C7 C6 C5 123.5(5) . . ?
C7 C6 C1 117.3(5) . . ?
C5 C6 C1 119.2(4) . . ?
C8 C7 C6 119.9(5) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C7 C8 C9 118.9(5) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
N1 C9 C8 123.0(5) . . ?
N1 C9 C10 116.1(4) . . ?
C8 C9 C10 120.8(4) . . ?
N2 C10 C9 121.5(5) . . ?
N2 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C12 C11 C16 120.0 . . ?
C12 C11 N2 122.6(5) . . ?
C16 C11 N2 117.3(5) . . ?
C13 C12 C11 120.0 . . ?
C12 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 Br1 120.5(3) . . ?
C13 C14 Br1 119.4(3) . . ?
C14 C15 C16 120.0 . . ?
C15 C16 C11 120.0 . . ?
C12' C11' C16' 120.0 . . ?
C12' C11' N2 118(3) . . ?
C16' C11' N2 122(3) . . ?
C11' C12' C13' 120.0 . . ?
C14' C13' C12' 120.0 . . ?
C13' C14' C15' 120.0 . . ?
C13' C14' Br1' 117.4(19) . . ?
C15' C14' Br1' 122.6(19) . . ?
C16' C15' C14' 120.0 . . ?
C15' C16' C11' 120.0 . . ?
C22 C17 C18 120.1(5) . . ?
C22 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 120.4(6) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C18 120.0(5) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 119.8(5) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 120.8(5) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C17 C22 C21 119.0(5) . . ?
C17 C22 C23 119.2(5) . . ?
C21 C22 C23 121.8(5) . . ?
O2 C23 C24 124.0(4) . . ?
O2 C23 C22 115.9(4) . . ?
C24 C23 C22 120.0(4) . . ?
C23 C24 C25 123.7(5) . . ?
C23 C24 H24 118.1 . . ?
C25 C24 H24 118.1 . . ?
O3 C25 C24 123.7(4) . . ?
O3 C25 C26 115.8(4) . . ?
C24 C25 C26 120.5(4) . . ?
C27 C26 C31 117.2(5) . . ?
C27 C26 C25 124.2(5) . . ?
C31 C26 C25 118.6(4) . . ?
C28 C27 C26 120.9(5) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C29 C28 C27 121.1(5) . . ?
C29 C28 H28 119.5 . . ?
C27 C28 H28 119.5 . . ?
C28 C29 C30 119.6(5) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C29 C30 C31 120.0(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C26 121.1(5) . . ?
C30 C31 H31 119.4 . . ?
C26 C31 H31 119.4 . . ?
C33 C32 C37 121.2(6) . . ?
C33 C32 H32 119.4 . . ?
C37 C32 H32 119.4 . . ?
C32 C33 C34 116.9(6) . . ?
C32 C33 H33 121.6 . . ?
C34 C33 H33 121.6 . . ?
C35 C34 C33 120.3(6) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 121.1(6) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C37 C36 C35 123.2(5) . . ?
C37 C36 H36 118.4 . . ?
C35 C36 H36 118.4 . . ?
C36 C37 C32 115.2(5) . . ?
C36 C37 C38 126.5(5) . . ?
C32 C37 C38 117.3(5) . . ?
O4 C38 C39 122.9(4) . . ?
O4 C38 C37 116.2(4) . . ?
C39 C38 C37 120.8(4) . . ?
C38 C39 C40 122.7(4) . . ?
C38 C39 H39 118.7 . . ?
C40 C39 H39 118.7 . . ?
O5 C40 C39 124.0(4) . . ?
O5 C40 C41 117.4(4) . . ?
C39 C40 C41 118.3(4) . . ?
C46 C41 C42 118.8(5) . . ?
C46 C41 C40 118.4(5) . . ?
C42 C41 C40 122.7(5) . . ?
C41 C42 C43 120.1(6) . . ?
C41 C42 H42 119.9 . . ?
C43 C42 H42 119.9 . . ?
C44 C43 C42 120.1(6) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 120.3(5) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C44 C45 C46 119.4(6) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C41 C46 C45 121.1(5) . . ?
C41 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
N3 C47 C52 122.0(5) . . ?
N3 C47 C48 117.0(4) . . ?
C52 C47 C48 121.0(5) . . ?
O6 C48 C49 123.9(5) . . ?
O6 C48 C47 118.6(4) . . ?
C49 C48 C47 117.5(5) . . ?
C48 C49 C50 120.6(5) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 H49 119.7 . . ?
C51 C50 C49 123.0(5) . . ?
C51 C50 H50 118.5 . . ?
C49 C50 H50 118.5 . . ?
C50 C51 C52 118.2(5) . . ?
C50 C51 H51 120.9 . . ?
C52 C51 H51 120.9 . . ?
C51 C52 C53 122.9(5) . . ?
C51 C52 C47 119.6(5) . . ?
C53 C52 C47 117.5(5) . . ?
C54 C53 C52 119.6(5) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C53 C54 C55 119.5(5) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
N3 C55 C54 122.7(5) . . ?
N3 C55 C56 115.5(5) . . ?
C54 C55 C56 121.8(5) . . ?
N4 C56 C55 122.4(5) . . ?
N4 C56 H56 118.8 . . ?
C55 C56 H56 118.8 . . ?
C62 C57 C58 118.9(5) . . ?
C62 C57 N4 120.4(5) . . ?
C58 C57 N4 120.7(5) . . ?
C59 C58 C57 120.1(5) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 119.8(5) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C61 C60 C59 121.0(5) . . ?
C61 C60 Br2 120.4(4) . . ?
C59 C60 Br2 118.6(4) . . ?
C60 C61 C62 119.8(5) . . ?
C60 C61 H61 120.1 . . ?
C62 C61 H61 120.1 . . ?
C61 C62 C57 120.4(5) . . ?
C61 C62 H62 119.8 . . ?
C57 C62 H62 119.8 . . ?
C68 C63 C64 120.8(6) . . ?
C68 C63 H63 119.6 . . ?
C64 C63 H63 119.6 . . ?
C65 C64 C63 119.0(7) . . ?
C65 C64 H64 120.5 . . ?
C63 C64 H64 120.5 . . ?
C66 C65 C64 121.4(7) . . ?
C66 C65 H65 119.3 . . ?
C64 C65 H65 119.3 . . ?
C65 C66 C67 119.5(7) . . ?
C65 C66 H66 120.2 . . ?
C67 C66 H66 120.2 . . ?
C68 C67 C66 121.0(7) . . ?
C68 C67 H67 119.5 . . ?
C66 C67 H67 119.5 . . ?
C63 C68 C67 118.3(5) . . ?
C63 C68 C69 118.1(5) . . ?
C67 C68 C69 123.6(6) . . ?
O7 C69 C70 124.5(5) . . ?
O7 C69 C68 115.7(5) . . ?
C70 C69 C68 119.8(5) . . ?
C71 C70 C69 122.8(5) . . ?
C71 C70 H70 118.6 . . ?
C69 C70 H70 118.6 . . ?
O8 C71 C70 123.3(5) . . ?
O8 C71 C72 115.5(4) . . ?
C70 C71 C72 121.1(5) . . ?
C77 C72 C73 117.2(5) . . ?
C77 C72 C71 119.2(5) . . ?
C73 C72 C71 123.6(5) . . ?
C74 C73 C72 120.9(5) . . ?
C74 C73 H73 119.5 . . ?
C72 C73 H73 119.5 . . ?
C75 C74 C73 120.2(5) . . ?
C75 C74 H74 119.9 . . ?
C73 C74 H74 119.9 . . ?
C74 C75 C76 120.4(5) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 H75 119.8 . . ?
C75 C76 C77 119.3(6) . . ?
C75 C76 H76 120.4 . . ?
C77 C76 H76 120.4 . . ?
C76 C77 C72 121.9(5) . . ?
C76 C77 H77 119.0 . . ?
C72 C77 H77 119.0 . . ?
C79 C78 C83 121.1(6) . . ?
C79 C78 H78 119.4 . . ?
C83 C78 H78 119.4 . . ?
C80 C79 C78 120.0(7) . . ?
C80 C79 H79 120.0 . . ?
C78 C79 H79 120.0 . . ?
C81 C80 C79 120.2(6) . . ?
C81 C80 H80 119.9 . . ?
C79 C80 H80 119.9 . . ?
C80 C81 C82 120.9(6) . . ?
C80 C81 H81 119.6 . . ?
C82 C81 H81 119.6 . . ?
C81 C82 C83 119.6(6) . . ?
C81 C82 H82 120.2 . . ?
C83 C82 H82 120.2 . . ?
C78 C83 C82 118.1(5) . . ?
C78 C83 C84 119.4(5) . . ?
C82 C83 C84 122.4(5) . . ?
O9 C84 C85 123.3(5) . . ?
O9 C84 C83 116.7(5) . . ?
C85 C84 C83 120.0(5) . . ?
C86 C85 C84 123.5(5) . . ?
C86 C85 H85 118.3 . . ?
C84 C85 H85 118.3 . . ?
O10 C86 C85 124.2(5) . . ?
O10 C86 C87 114.7(5) . . ?
C85 C86 C87 121.1(5) . . ?
C88 C87 C92 119.2(6) . . ?
C88 C87 C86 118.2(5) . . ?
C92 C87 C86 122.6(5) . . ?
C87 C88 C89 119.9(7) . . ?
C87 C88 H88 120.0 . . ?
C89 C88 H88 120.0 . . ?
C90 C89 C88 119.7(7) . . ?
C90 C89 H89 120.1 . . ?
C88 C89 H89 120.1 . . ?
C91 C90 C89 120.5(7) . . ?
C91 C90 H90 119.7 . . ?
C89 C90 H90 119.7 . . ?
C90 C91 C92 120.5(8) . . ?
C90 C91 H91 119.7 . . ?
C92 C91 H91 119.7 . . ?
C91 C92 C87 120.1(7) . . ?
C91 C92 H92 120.0 . . ?
C87 C92 H92 120.0 . . ?
N5 C93 C94 179.2(8) . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
N6 C95 C96 173.9(9) . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?

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
O4 Dy1 O1 C2 -125.9(3) . . . . ?
O2 Dy1 O1 C2 79.8(3) . . . . ?
O3 Dy1 O1 C2 112.7(3) . . . . ?
O5 Dy1 O1 C2 -66.3(3) . . . . ?
O1 Dy1 O1 C2 171.1(4) 2_666 . . . ?
N1 Dy1 O1 C2 4.5(3) . . . . ?
N2 Dy1 O1 C2 -0.8(4) . . . . ?
Dy1 Dy1 O1 C2 171.1(4) 2_666 . . . ?
O4 Dy1 O1 Dy1 62.99(17) . . . 2_666 ?
O2 Dy1 O1 Dy1 -91.23(14) . . . 2_666 ?
O3 Dy1 O1 Dy1 -58.4(2) . . . 2_666 ?
O5 Dy1 O1 Dy1 122.64(14) . . . 2_666 ?
O1 Dy1 O1 Dy1 0.0 2_666 . . 2_666 ?
N1 Dy1 O1 Dy1 -166.62(17) . . . 2_666 ?
N2 Dy1 O1 Dy1 -171.83(12) . . . 2_666 ?
O4 Dy1 O2 C23 35.1(5) . . . . ?
O3 Dy1 O2 C23 12.4(4) . . . . ?
O5 Dy1 O2 C23 -125.5(4) . . . . ?
O1 Dy1 O2 C23 103.5(4) 2_666 . . . ?
O1 Dy1 O2 C23 173.7(5) . . . . ?
N1 Dy1 O2 C23 -117.0(5) . . . . ?
N2 Dy1 O2 C23 -55.6(4) . . . . ?
Dy1 Dy1 O2 C23 138.5(4) 2_666 . . . ?
O4 Dy1 O3 C25 -177.8(4) . . . . ?
O2 Dy1 O3 C25 -10.2(4) . . . . ?
O5 Dy1 O3 C25 134.2(4) . . . . ?
O1 Dy1 O3 C25 -97.6(4) 2_666 . . . ?
O1 Dy1 O3 C25 -44.4(5) . . . . ?
N1 Dy1 O3 C25 47.0(5) . . . . ?
N2 Dy1 O3 C25 86.6(4) . . . . ?
Dy1 Dy1 O3 C25 -78.8(4) 2_666 . . . ?
O2 Dy1 O4 C38 -160.1(4) . . . . ?
O3 Dy1 O4 C38 -138.1(5) . . . . ?
O5 Dy1 O4 C38 7.1(5) . . . . ?
O1 Dy1 O4 C38 129.5(5) 2_666 . . . ?
O1 Dy1 O4 C38 71.4(5) . . . . ?
N1 Dy1 O4 C38 -19.6(6) . . . . ?
N2 Dy1 O4 C38 -69.7(5) . . . . ?
Dy1 Dy1 O4 C38 103.0(5) 2_666 . . . ?
O4 Dy1 O5 C40 -17.2(4) . . . . ?
O2 Dy1 O5 C40 151.7(4) . . . . ?
O3 Dy1 O5 C40 32.9(5) . . . . ?
O1 Dy1 O5 C40 -85.7(5) 2_666 . . . ?
O1 Dy1 O5 C40 -147.9(5) . . . . ?
N1 Dy1 O5 C40 143.0(5) . . . . ?
N2 Dy1 O5 C40 77.8(5) . . . . ?
Dy1 Dy1 O5 C40 -118.7(4) 2_666 . . . ?
O10 Dy2 O6 C48 -77.1(3) . . . . ?
O6 Dy2 O6 C48 -178.4(4) 2_775 . . . ?
O8 Dy2 O6 C48 118.9(3) . . . . ?
O7 Dy2 O6 C48 80.1(3) . . . . ?
O9 Dy2 O6 C48 -115.9(3) . . . . ?
N3 Dy2 O6 C48 -1.8(3) . . . . ?
N4 Dy2 O6 C48 -2.6(4) . . . . ?
Dy2 Dy2 O6 C48 -178.4(4) 2_775 . . . ?
O10 Dy2 O6 Dy2 101.24(15) . . . 2_775 ?
O6 Dy2 O6 Dy2 0.0 2_775 . . 2_775 ?
O8 Dy2 O6 Dy2 -62.7(2) . . . 2_775 ?
O7 Dy2 O6 Dy2 -101.53(15) . . . 2_775 ?
O9 Dy2 O6 Dy2 62.5(2) . . . 2_775 ?
N3 Dy2 O6 Dy2 176.52(17) . . . 2_775 ?
N4 Dy2 O6 Dy2 175.76(12) . . . 2_775 ?
O10 Dy2 O7 C69 163.5(4) . . . . ?
O6 Dy2 O7 C69 57.5(5) 2_775 . . . ?
O8 Dy2 O7 C69 -26.1(4) . . . . ?
O9 Dy2 O7 C69 -36.2(5) . . . . ?
O6 Dy2 O7 C69 125.7(5) . . . . ?
N3 Dy2 O7 C69 -165.2(5) . . . . ?
N4 Dy2 O7 C69 -103.9(4) . . . . ?
Dy2 Dy2 O7 C69 91.7(4) 2_775 . . . ?
O10 Dy2 O8 C71 -165.7(4) . . . . ?
O6 Dy2 O8 C71 -71.7(4) 2_775 . . . ?
O7 Dy2 O8 C71 25.0(4) . . . . ?
O9 Dy2 O8 C71 -161.0(5) . . . . ?
O6 Dy2 O8 C71 -14.4(5) . . . . ?
N3 Dy2 O8 C71 78.8(5) . . . . ?
N4 Dy2 O8 C71 124.3(4) . . . . ?
Dy2 Dy2 O8 C71 -47.5(5) 2_775 . . . ?
O10 Dy2 O9 C84 2.9(4) . . . . ?
O6 Dy2 O9 C84 99.7(5) 2_775 . . . ?
O8 Dy2 O9 C84 -174.4(5) . . . . ?
O7 Dy2 O9 C84 -164.5(4) . . . . ?
O6 Dy2 O9 C84 42.8(5) . . . . ?
N3 Dy2 O9 C84 -48.9(5) . . . . ?
N4 Dy2 O9 C84 -89.9(5) . . . . ?
Dy2 Dy2 O9 C84 77.1(5) 2_775 . . . ?
O6 Dy2 O10 C86 -97.3(5) 2_775 . . . ?
O8 Dy2 O10 C86 -6.6(6) . . . . ?
O7 Dy2 O10 C86 156.9(4) . . . . ?
O9 Dy2 O10 C86 -11.2(5) . . . . ?
O6 Dy2 O10 C86 -165.9(5) . . . . ?
N3 Dy2 O10 C86 124.8(5) . . . . ?
N4 Dy2 O10 C86 61.5(5) . . . . ?
Dy2 Dy2 O10 C86 -132.2(5) 2_775 . . . ?
O4 Dy1 N1 C9 -62.6(4) . . . . ?
O2 Dy1 N1 C9 96.0(4) . . . . ?
O3 Dy1 N1 C9 39.1(4) . . . . ?
O5 Dy1 N1 C9 -89.7(4) . . . . ?
O1 Dy1 N1 C9 163.6(3) 2_666 . . . ?
O1 Dy1 N1 C9 -178.4(4) . . . . ?
N2 Dy1 N1 C9 -2.9(3) . . . . ?
Dy1 Dy1 N1 C9 173.9(4) 2_666 . . . ?
O4 Dy1 N1 C1 112.1(3) . . . . ?
O2 Dy1 N1 C1 -89.3(3) . . . . ?
O3 Dy1 N1 C1 -146.2(3) . . . . ?
O5 Dy1 N1 C1 85.0(3) . . . . ?
O1 Dy1 N1 C1 -21.7(4) 2_666 . . . ?
O1 Dy1 N1 C1 -3.7(3) . . . . ?
N2 Dy1 N1 C1 171.8(3) . . . . ?
Dy1 Dy1 N1 C1 -11.4(3) 2_666 . . . ?
O4 Dy1 N2 C10 147.6(3) . . . . ?
O2 Dy1 N2 C10 -65.5(3) . . . . ?
O3 Dy1 N2 C10 -136.1(4) . . . . ?
O5 Dy1 N2 C10 77.2(3) . . . . ?
O1 Dy1 N2 C10 -147.8(3) 2_666 . . . ?
O1 Dy1 N2 C10 10.4(4) . . . . ?
N1 Dy1 N2 C10 5.0(3) . . . . ?
Dy1 Dy1 N2 C10 -6.3(6) 2_666 . . . ?
O4 Dy1 N2 C11 -39.6(5) . . . . ?
O2 Dy1 N2 C11 107.3(5) . . . . ?
O3 Dy1 N2 C11 36.7(5) . . . . ?
O5 Dy1 N2 C11 -110.0(5) . . . . ?
O1 Dy1 N2 C11 25.0(7) 2_666 . . . ?
O1 Dy1 N2 C11 -176.8(4) . . . . ?
N1 Dy1 N2 C11 177.8(5) . . . . ?
Dy1 Dy1 N2 C11 166.5(4) 2_666 . . . ?
O4 Dy1 N2 C11' -41(2) . . . . ?
O2 Dy1 N2 C11' 106(2) . . . . ?
O3 Dy1 N2 C11' 35(2) . . . . ?
O5 Dy1 N2 C11' -111(2) . . . . ?
O1 Dy1 N2 C11' 24(2) 2_666 . . . ?
O1 Dy1 N2 C11' -178(2) . . . . ?
N1 Dy1 N2 C11' 177(2) . . . . ?
Dy1 Dy1 N2 C11' 165(2) 2_666 . . . ?
O10 Dy2 N3 C55 -92.2(4) . . . . ?
O6 Dy2 N3 C55 -170.5(3) 2_775 . . . ?
O8 Dy2 N3 C55 55.7(4) . . . . ?
O7 Dy2 N3 C55 107.5(4) . . . . ?
O9 Dy2 N3 C55 -40.3(4) . . . . ?
O6 Dy2 N3 C55 -175.3(4) . . . . ?
N4 Dy2 N3 C55 4.1(4) . . . . ?
Dy2 Dy2 N3 C55 -173.3(4) 2_775 . . . ?
O10 Dy2 N3 C47 83.0(3) . . . . ?
O6 Dy2 N3 C47 4.7(4) 2_775 . . . ?
O8 Dy2 N3 C47 -129.2(3) . . . . ?
O7 Dy2 N3 C47 -77.4(3) . . . . ?
O9 Dy2 N3 C47 134.9(3) . . . . ?
O6 Dy2 N3 C47 -0.2(3) . . . . ?
N4 Dy2 N3 C47 179.2(4) . . . . ?
Dy2 Dy2 N3 C47 1.8(3) 2_775 . . . ?
O10 Dy2 N4 C56 65.7(4) . . . . ?
O6 Dy2 N4 C56 164.8(4) 2_775 . . . ?
O8 Dy2 N4 C56 -146.1(4) . . . . ?
O7 Dy2 N4 C56 -76.5(4) . . . . ?
O9 Dy2 N4 C56 137.3(4) . . . . ?
O6 Dy2 N4 C56 -4.1(4) . . . . ?
N3 Dy2 N4 C56 -4.9(4) . . . . ?
Dy2 Dy2 N4 C56 4.8(6) 2_775 . . . ?
O10 Dy2 N4 C57 -101.4(4) . . . . ?
O6 Dy2 N4 C57 -2.2(6) 2_775 . . . ?
O8 Dy2 N4 C57 46.9(4) . . . . ?
O7 Dy2 N4 C57 116.5(4) . . . . ?
O9 Dy2 N4 C57 -29.7(4) . . . . ?
O6 Dy2 N4 C57 -171.2(3) . . . . ?
N3 Dy2 N4 C57 -171.9(4) . . . . ?
Dy2 Dy2 N4 C57 -162.3(3) 2_775 . . . ?
C9 N1 C1 C6 0.3(7) . . . . ?
Dy1 N1 C1 C6 -174.7(3) . . . . ?
C9 N1 C1 C2 177.8(4) . . . . ?
Dy1 N1 C1 C2 2.8(5) . . . . ?
Dy1 O1 C2 C3 -17.3(6) 2_666 . . . ?
Dy1 O1 C2 C3 173.5(3) . . . . ?
Dy1 O1 C2 C1 164.3(3) 2_666 . . . ?
Dy1 O1 C2 C1 -4.9(5) . . . . ?
N1 C1 C2 O1 1.2(6) . . . . ?
C6 C1 C2 O1 178.7(4) . . . . ?
N1 C1 C2 C3 -177.3(4) . . . . ?
C6 C1 C2 C3 0.2(6) . . . . ?
O1 C2 C3 C4 180.0(4) . . . . ?
C1 C2 C3 C4 -1.6(7) . . . . ?
C2 C3 C4 C5 1.9(8) . . . . ?
C3 C4 C5 C6 -0.6(8) . . . . ?
C4 C5 C6 C7 -179.8(5) . . . . ?
C4 C5 C6 C1 -0.8(7) . . . . ?
N1 C1 C6 C7 -2.6(7) . . . . ?
C2 C1 C6 C7 -180.0(4) . . . . ?
N1 C1 C6 C5 178.4(4) . . . . ?
C2 C1 C6 C5 1.0(7) . . . . ?
C5 C6 C7 C8 -179.0(5) . . . . ?
C1 C6 C7 C8 2.0(7) . . . . ?
C6 C7 C8 C9 0.6(8) . . . . ?
C1 N1 C9 C8 2.5(7) . . . . ?
Dy1 N1 C9 C8 177.1(4) . . . . ?
C1 N1 C9 C10 -173.7(4) . . . . ?
Dy1 N1 C9 C10 0.9(6) . . . . ?
C7 C8 C9 N1 -3.0(8) . . . . ?
C7 C8 C9 C10 173.1(5) . . . . ?
C11 N2 C10 C9 179.3(5) . . . . ?
C11' N2 C10 C9 -178(2) . . . . ?
Dy1 N2 C10 C9 -6.9(6) . . . . ?
N1 C9 C10 N2 4.5(7) . . . . ?
C8 C9 C10 N2 -171.8(5) . . . . ?
C10 N2 C11 C12 37.6(7) . . . . ?
C11' N2 C11 C12 -129(12) . . . . ?
Dy1 N2 C11 C12 -135.2(4) . . . . ?
C10 N2 C11 C16 -139.4(4) . . . . ?
C11' N2 C11 C16 54(11) . . . . ?
Dy1 N2 C11 C16 47.8(5) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
N2 C11 C12 C13 -176.9(6) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C12 C13 C14 Br1 177.5(3) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
Br1 C14 C15 C16 -177.4(3) . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
N2 C11 C16 C15 177.1(5) . . . . ?
C10 N2 C11' C12' 44(4) . . . . ?
C11 N2 C11' C12' 58(10) . . . . ?
Dy1 N2 C11' C12' -127(2) . . . . ?
C10 N2 C11' C16' -129.5(17) . . . . ?
C11 N2 C11' C16' -115(12) . . . . ?
Dy1 N2 C11' C16' 60(2) . . . . ?
C16' C11' C12' C13' 0.0 . . . . ?
N2 C11' C12' C13' -173(3) . . . . ?
C11' C12' C13' C14' 0.0 . . . . ?
C12' C13' C14' C15' 0.0 . . . . ?
C12' C13' C14' Br1' 178(2) . . . . ?
C13' C14' C15' C16' 0.0 . . . . ?
Br1' C14' C15' C16' -178(2) . . . . ?
C14' C15' C16' C11' 0.0 . . . . ?
C12' C11' C16' C15' 0.0 . . . . ?
N2 C11' C16' C15' 173(3) . . . . ?
C22 C17 C18 C19 0.8(10) . . . . ?
C17 C18 C19 C20 0.1(10) . . . . ?
C18 C19 C20 C21 -0.9(10) . . . . ?
C19 C20 C21 C22 0.7(10) . . . . ?
C18 C17 C22 C21 -1.0(9) . . . . ?
C18 C17 C22 C23 177.0(5) . . . . ?
C20 C21 C22 C17 0.2(9) . . . . ?
C20 C21 C22 C23 -177.7(5) . . . . ?
Dy1 O2 C23 C24 -9.2(8) . . . . ?
Dy1 O2 C23 C22 174.7(3) . . . . ?
C17 C22 C23 O2 14.9(7) . . . . ?
C21 C22 C23 O2 -167.2(5) . . . . ?
C17 C22 C23 C24 -161.3(5) . . . . ?
C21 C22 C23 C24 16.6(8) . . . . ?
O2 C23 C24 C25 -3.3(8) . . . . ?
C22 C23 C24 C25 172.6(4) . . . . ?
Dy1 O3 C25 C24 5.1(7) . . . . ?
Dy1 O3 C25 C26 -176.8(3) . . . . ?
C23 C24 C25 O3 5.2(8) . . . . ?
C23 C24 C25 C26 -172.8(4) . . . . ?
O3 C25 C26 C27 -174.2(5) . . . . ?
C24 C25 C26 C27 4.0(8) . . . . ?
O3 C25 C26 C31 4.3(7) . . . . ?
C24 C25 C26 C31 -177.6(5) . . . . ?
C31 C26 C27 C28 1.0(8) . . . . ?
C25 C26 C27 C28 179.4(5) . . . . ?
C26 C27 C28 C29 -0.3(10) . . . . ?
C27 C28 C29 C30 -0.7(10) . . . . ?
C28 C29 C30 C31 1.0(9) . . . . ?
C29 C30 C31 C26 -0.3(9) . . . . ?
C27 C26 C31 C30 -0.7(8) . . . . ?
C25 C26 C31 C30 -179.2(5) . . . . ?
C37 C32 C33 C34 -3.3(10) . . . . ?
C32 C33 C34 C35 13.4(11) . . . . ?
C33 C34 C35 C36 -10.6(12) . . . . ?
C34 C35 C36 C37 -3.2(11) . . . . ?
C35 C36 C37 C32 12.6(9) . . . . ?
C35 C36 C37 C38 -179.3(6) . . . . ?
C33 C32 C37 C36 -9.0(9) . . . . ?
C33 C32 C37 C38 -178.2(6) . . . . ?
Dy1 O4 C38 C39 -1.5(8) . . . . ?
Dy1 O4 C38 C37 174.6(3) . . . . ?
C36 C37 C38 O4 174.4(6) . . . . ?
C32 C37 C38 O4 -17.7(7) . . . . ?
C36 C37 C38 C39 -9.4(9) . . . . ?
C32 C37 C38 C39 158.4(5) . . . . ?
O4 C38 C39 C40 -1.4(8) . . . . ?
C37 C38 C39 C40 -177.3(5) . . . . ?
Dy1 O5 C40 C39 21.4(8) . . . . ?
Dy1 O5 C40 C41 -153.3(3) . . . . ?
C38 C39 C40 O5 -7.9(8) . . . . ?
C38 C39 C40 C41 166.7(4) . . . . ?
O5 C40 C41 C46 23.2(7) . . . . ?
C39 C40 C41 C46 -151.8(5) . . . . ?
O5 C40 C41 C42 -161.2(5) . . . . ?
C39 C40 C41 C42 23.8(7) . . . . ?
C46 C41 C42 C43 3.2(9) . . . . ?
C40 C41 C42 C43 -172.3(5) . . . . ?
C41 C42 C43 C44 -0.1(10) . . . . ?
C42 C43 C44 C45 -2.2(11) . . . . ?
C43 C44 C45 C46 1.2(10) . . . . ?
C42 C41 C46 C45 -4.2(8) . . . . ?
C40 C41 C46 C45 171.5(5) . . . . ?
C44 C45 C46 C41 2.0(9) . . . . ?
C55 N3 C47 C52 -1.9(7) . . . . ?
Dy2 N3 C47 C52 -177.2(3) . . . . ?
C55 N3 C47 C48 177.3(4) . . . . ?
Dy2 N3 C47 C48 2.0(5) . . . . ?
Dy2 O6 C48 C49 4.8(7) 2_775 . . . ?
Dy2 O6 C48 C49 -177.3(4) . . . . ?
Dy2 O6 C48 C47 -174.3(3) 2_775 . . . ?
Dy2 O6 C48 C47 3.6(6) . . . . ?
N3 C47 C48 O6 -3.7(7) . . . . ?
C52 C47 C48 O6 175.5(4) . . . . ?
N3 C47 C48 C49 177.2(4) . . . . ?
C52 C47 C48 C49 -3.6(7) . . . . ?
O6 C48 C49 C50 -176.6(5) . . . . ?
C47 C48 C49 C50 2.5(7) . . . . ?
C48 C49 C50 C51 0.2(8) . . . . ?
C49 C50 C51 C52 -1.9(8) . . . . ?
C50 C51 C52 C53 -179.7(5) . . . . ?
C50 C51 C52 C47 0.8(8) . . . . ?
N3 C47 C52 C51 -178.8(5) . . . . ?
C48 C47 C52 C51 2.0(7) . . . . ?
N3 C47 C52 C53 1.6(7) . . . . ?
C48 C47 C52 C53 -177.6(4) . . . . ?
C51 C52 C53 C54 -179.8(5) . . . . ?
C47 C52 C53 C54 -0.3(8) . . . . ?
C52 C53 C54 C55 -0.7(8) . . . . ?
C47 N3 C55 C54 0.9(8) . . . . ?
Dy2 N3 C55 C54 176.0(4) . . . . ?
C47 N3 C55 C56 -178.1(4) . . . . ?
Dy2 N3 C55 C56 -3.0(6) . . . . ?
C53 C54 C55 N3 0.4(8) . . . . ?
C53 C54 C55 C56 179.4(5) . . . . ?
C57 N4 C56 C55 174.2(5) . . . . ?
Dy2 N4 C56 C55 5.8(7) . . . . ?
N3 C55 C56 N4 -2.3(8) . . . . ?
C54 C55 C56 N4 178.7(5) . . . . ?
C56 N4 C57 C62 137.0(5) . . . . ?
Dy2 N4 C57 C62 -56.2(6) . . . . ?
C56 N4 C57 C58 -43.3(7) . . . . ?
Dy2 N4 C57 C58 123.5(4) . . . . ?
C62 C57 C58 C59 1.3(8) . . . . ?
N4 C57 C58 C59 -178.4(5) . . . . ?
C57 C58 C59 C60 0.6(8) . . . . ?
C58 C59 C60 C61 -1.1(8) . . . . ?
C58 C59 C60 Br2 175.9(4) . . . . ?
C59 C60 C61 C62 -0.2(8) . . . . ?
Br2 C60 C61 C62 -177.2(4) . . . . ?
C60 C61 C62 C57 2.1(8) . . . . ?
C58 C57 C62 C61 -2.6(8) . . . . ?
N4 C57 C62 C61 177.1(5) . . . . ?
C68 C63 C64 C65 1.6(10) . . . . ?
C63 C64 C65 C66 -1.5(12) . . . . ?
C64 C65 C66 C67 0.9(13) . . . . ?
C65 C66 C67 C68 -0.5(13) . . . . ?
C64 C63 C68 C67 -1.1(9) . . . . ?
C64 C63 C68 C69 178.4(5) . . . . ?
C66 C67 C68 C63 0.5(10) . . . . ?
C66 C67 C68 C69 -178.9(7) . . . . ?
Dy2 O7 C69 C70 21.4(7) . . . . ?
Dy2 O7 C69 C68 -158.8(3) . . . . ?
C63 C68 C69 O7 5.7(7) . . . . ?
C67 C68 C69 O7 -174.8(6) . . . . ?
C63 C68 C69 C70 -174.4(5) . . . . ?
C67 C68 C69 C70 5.0(8) . . . . ?
O7 C69 C70 C71 0.6(8) . . . . ?
C68 C69 C70 C71 -179.2(5) . . . . ?
Dy2 O8 C71 C70 -18.5(7) . . . . ?
Dy2 O8 C71 C72 163.8(3) . . . . ?
C69 C70 C71 O8 -2.3(8) . . . . ?
C69 C70 C71 C72 175.3(4) . . . . ?
O8 C71 C72 C77 3.2(6) . . . . ?
C70 C71 C72 C77 -174.5(5) . . . . ?
O8 C71 C72 C73 -177.9(4) . . . . ?
C70 C71 C72 C73 4.4(7) . . . . ?
C77 C72 C73 C74 2.6(7) . . . . ?
C71 C72 C73 C74 -176.3(5) . . . . ?
C72 C73 C74 C75 -1.0(8) . . . . ?
C73 C74 C75 C76 -1.1(8) . . . . ?
C74 C75 C76 C77 1.3(8) . . . . ?
C75 C76 C77 C72 0.4(8) . . . . ?
C73 C72 C77 C76 -2.3(7) . . . . ?
C71 C72 C77 C76 176.6(5) . . . . ?
C83 C78 C79 C80 -1.0(10) . . . . ?
C78 C79 C80 C81 0.4(11) . . . . ?
C79 C80 C81 C82 0.2(10) . . . . ?
C80 C81 C82 C83 -0.1(9) . . . . ?
C79 C78 C83 C82 1.1(9) . . . . ?
C79 C78 C83 C84 179.8(5) . . . . ?
C81 C82 C83 C78 -0.5(8) . . . . ?
C81 C82 C83 C84 -179.2(5) . . . . ?
Dy2 O9 C84 C85 4.4(8) . . . . ?
Dy2 O9 C84 C83 -177.1(3) . . . . ?
C78 C83 C84 O9 -20.2(7) . . . . ?
C82 C83 C84 O9 158.5(5) . . . . ?
C78 C83 C84 C85 158.5(5) . . . . ?
C82 C83 C84 C85 -22.9(8) . . . . ?
O9 C84 C85 C86 -8.3(8) . . . . ?
C83 C84 C85 C86 173.2(5) . . . . ?
Dy2 O10 C86 C85 11.5(8) . . . . ?
Dy2 O10 C86 C87 -170.0(3) . . . . ?
C84 C85 C86 O10 1.2(8) . . . . ?
C84 C85 C86 C87 -177.2(5) . . . . ?
O10 C86 C87 C88 -5.0(7) . . . . ?
C85 C86 C87 C88 173.6(5) . . . . ?
O10 C86 C87 C92 177.2(5) . . . . ?
C85 C86 C87 C92 -4.2(8) . . . . ?
C92 C87 C88 C89 1.5(9) . . . . ?
C86 C87 C88 C89 -176.3(5) . . . . ?
C87 C88 C89 C90 -0.1(10) . . . . ?
C88 C89 C90 C91 -2.1(13) . . . . ?
C89 C90 C91 C92 2.7(14) . . . . ?
C90 C91 C92 C87 -1.3(13) . . . . ?
C88 C87 C92 C91 -0.9(10) . . . . ?
C86 C87 C92 C91 176.9(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.335
_refine_diff_density_min         -1.445
_refine_diff_density_rms         0.149
