# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_x
_database_code_depnum_ccdc_archive 'CCDC 1446105'
_audit_update_record             
;
2016-01-08 deposited with the CCDC.
2017-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41.33 H25.67 Dy F12 N2 O6.33'
_chemical_formula_weight         1042.14

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'
Dy Dy -0.1892 4.4098 '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'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   p-3

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

_cell_length_a                   26.791(4)
_cell_length_b                   26.791(4)
_cell_length_c                   10.119(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     6289.8(19)
_cell_formula_units_Z            6
_cell_measurement_temperature    296(2)
_cell_measurement_theta_min      1.96
_cell_measurement_theta_max      25.10

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3074
_exptl_absorpt_coefficient_mu    1.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_T_max  0.9019
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26418
_diffrn_reflns_av_R_equivalents  0.1662
_diffrn_reflns_av_sigmaI/netI    0.1531
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         0.88
_diffrn_reflns_theta_max         25.03
_reflns_number_total             6843
_reflns_number_gt                3155
_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)+(0.0000P)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         6843
_refine_ls_number_parameters     679
_refine_ls_number_restraints     534
_refine_ls_R_factor_all          0.1382
_refine_ls_R_factor_gt           0.0652
_refine_ls_wR_factor_ref         0.1415
_refine_ls_wR_factor_gt          0.1243
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.013
_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 0.36659(2) 0.29302(2) 0.47051(5) 0.0685(2) Uani 1 1 d . . .
O1 O 0.4090(3) 0.3531(3) 0.2940(7) 0.081(2) Uani 1 1 d . . .
O2 O 0.4475(3) 0.3730(3) 0.5501(6) 0.0758(19) Uani 1 1 d . . .
O3 O 0.3884(3) 0.2637(3) 0.6679(6) 0.082(2) Uani 1 1 d . . .
O4 O 0.4311(3) 0.2631(3) 0.4209(7) 0.084(2) Uani 1 1 d . . .
O5 O 0.3218(3) 0.2234(4) 0.2997(7) 0.092(2) Uani 1 1 d . . .
O6 O 0.2791(3) 0.2166(3) 0.5468(7) 0.081(2) Uani 1 1 d . . .
N1 N 0.2914(3) 0.3170(3) 0.3834(9) 0.067(2) Uani 1 1 d . . .
N2 N 0.3279(4) 0.3368(4) 0.6338(9) 0.075(2) Uani 1 1 d . . .
C1 C 0.4712(4) 0.4161(5) 0.1383(11) 0.126(5) Uani 1 1 d D . .
C2 C 0.4567(6) 0.3961(6) 0.2805(11) 0.085(3) Uani 1 1 d . A .
C3 C 0.4998(5) 0.4289(5) 0.3708(12) 0.094(4) Uani 1 1 d . . .
H3 H 0.5335 0.4607 0.3412 0.112 Uiso 1 1 calc R A .
C4 C 0.4936(5) 0.4151(5) 0.5052(10) 0.071(3) Uani 1 1 d . A .
C5 C 0.5407(5) 0.4495(5) 0.6012(12) 0.079(3) Uani 1 1 d . . .
C6 C 0.5899(6) 0.5026(5) 0.5711(13) 0.108(4) Uani 1 1 d . A .
H6 H 0.5945 0.5196 0.4884 0.129 Uiso 1 1 calc R . .
C7 C 0.6316(6) 0.5289(6) 0.6685(18) 0.121(5) Uani 1 1 d . . .
H7 H 0.6651 0.5629 0.6467 0.145 Uiso 1 1 calc R A .
C8 C 0.6270(6) 0.5096(8) 0.7864(17) 0.121(5) Uani 1 1 d . A .
C9 C 0.5830(7) 0.4577(8) 0.8181(13) 0.132(5) Uani 1 1 d . . .
H9 H 0.5817 0.4417 0.9005 0.159 Uiso 1 1 calc R A .
C10 C 0.5390(5) 0.4278(6) 0.7269(13) 0.105(4) Uani 1 1 d . A .
H10 H 0.5078 0.3924 0.7506 0.127 Uiso 1 1 calc R . .
C11 C 0.4364(4) 0.2529(4) 0.8461(11) 0.111(4) Uani 1 1 d DU . .
C12 C 0.4315(5) 0.2584(5) 0.6988(12) 0.080(3) Uani 1 1 d . B .
C13 C 0.4694(6) 0.2537(6) 0.6181(13) 0.096(4) Uani 1 1 d . . .
H13 H 0.4986 0.2495 0.6568 0.115 Uiso 1 1 calc R B .
C14 C 0.4671(4) 0.2548(5) 0.4810(14) 0.079(3) Uani 1 1 d . B .
C15 C 0.5053(4) 0.2458(5) 0.3942(12) 0.076(3) Uani 1 1 d . . .
C16 C 0.5034(6) 0.2496(6) 0.2562(14) 0.109(4) Uani 1 1 d . B .
H16 H 0.4781 0.2604 0.2207 0.131 Uiso 1 1 calc R . .
C17 C 0.5358(7) 0.2387(8) 0.1714(14) 0.140(6) Uani 1 1 d . . .
H17 H 0.5311 0.2392 0.0804 0.168 Uiso 1 1 calc R B .
C18 C 0.5761(7) 0.2270(7) 0.2244(15) 0.125(5) Uani 1 1 d U B .
C19 C 0.5808(6) 0.2206(7) 0.3532(14) 0.121(5) Uani 1 1 d U . .
H19 H 0.6065 0.2097 0.3850 0.145 Uiso 1 1 calc R B .
C20 C 0.5458(6) 0.2307(7) 0.4408(13) 0.126(5) Uani 1 1 d . B .
H20 H 0.5494 0.2275 0.5313 0.151 Uiso 1 1 calc R . .
C21 C 0.2588(4) 0.1606(5) 0.1403(11) 0.119(4) Uani 1 1 d DU . .
C22 C 0.2733(6) 0.1824(6) 0.2774(14) 0.095(4) Uani 1 1 d . C .
C23 C 0.2299(5) 0.1545(6) 0.3667(13) 0.105(4) Uani 1 1 d . . .
H23 H 0.1954 0.1237 0.3370 0.126 Uiso 1 1 calc R C .
C24 C 0.2343(5) 0.1694(5) 0.5009(14) 0.087(3) Uani 1 1 d . C .
C25 C 0.1895(5) 0.1347(5) 0.5978(12) 0.094(4) Uani 1 1 d D . .
C26 C 0.1484(6) 0.0783(5) 0.5763(15) 0.147(6) Uani 1 1 d D C .
H26 H 0.1488 0.0621 0.4954 0.177 Uiso 1 1 calc R . .
C27 C 0.1072(7) 0.0445(6) 0.6643(16) 0.157(7) Uani 1 1 d DU . .
H27 H 0.0798 0.0064 0.6463 0.188 Uiso 1 1 calc R C .
C28 C 0.1088(8) 0.0703(7) 0.7805(17) 0.168(8) Uani 1 1 d DU C .
C29 C 0.1472(7) 0.1266(7) 0.8118(14) 0.140(5) Uani 1 1 d DU . .
H29 H 0.1465 0.1422 0.8934 0.168 Uiso 1 1 calc R C .
C30 C 0.1869(5) 0.1588(6) 0.7155(13) 0.117(4) Uani 1 1 d D C .
H30 H 0.2125 0.1976 0.7308 0.141 Uiso 1 1 calc R . .
C31 C 0.2740(5) 0.3044(5) 0.2567(12) 0.088(3) Uani 1 1 d . . .
H31 H 0.2964 0.2971 0.1983 0.105 Uiso 1 1 calc R . .
C32 C 0.2258(5) 0.3019(6) 0.2115(13) 0.100(4) Uani 1 1 d . . .
H32 H 0.2159 0.2936 0.1228 0.120 Uiso 1 1 calc R . .
C33 C 0.1912(6) 0.3114(6) 0.2940(14) 0.105(4) Uani 1 1 d . . .
H33 H 0.1575 0.3099 0.2655 0.126 Uiso 1 1 calc R . .
C34 C 0.2105(5) 0.3236(5) 0.4257(14) 0.090(3) Uani 1 1 d . . .
H34 H 0.1886 0.3304 0.4867 0.108 Uiso 1 1 calc R . .
C35 C 0.2589(5) 0.3258(4) 0.4662(11) 0.064(3) Uani 1 1 d . . .
C36 C 0.2803(5) 0.3421(4) 0.6006(13) 0.080(3) Uani 1 1 d . . .
C37 C 0.2586(6) 0.3630(6) 0.6933(14) 0.108(4) Uani 1 1 d . . .
H37 H 0.2268 0.3661 0.6697 0.130 Uiso 1 1 calc R . .
C38 C 0.2793(8) 0.3792(7) 0.8148(16) 0.129(5) Uani 1 1 d . . .
H38 H 0.2630 0.3936 0.8736 0.155 Uiso 1 1 calc R . .
C39 C 0.3258(8) 0.3736(7) 0.8495(15) 0.138(6) Uani 1 1 d U . .
H39 H 0.3418 0.3831 0.9337 0.166 Uiso 1 1 calc R . .
C40 C 0.3482(5) 0.3527(5) 0.7505(13) 0.094(4) Uani 1 1 d U . .
H40 H 0.3806 0.3503 0.7724 0.113 Uiso 1 1 calc R . .
F1 F 0.4702(13) 0.3779(8) 0.055(2) 0.184(9) Uani 0.58(3) 1 d PDU A 1
F2 F 0.5237(7) 0.4631(8) 0.124(2) 0.174(8) Uani 0.58(3) 1 d PDU A 1
F3 F 0.4348(9) 0.4314(13) 0.091(2) 0.150(7) Uani 0.58(3) 1 d PDU A 1
F1B F 0.4996(13) 0.3910(12) 0.090(2) 0.124(7) Uani 0.42(3) 1 d PDU A 2
F2B F 0.5042(12) 0.4718(5) 0.111(3) 0.150(8) Uani 0.42(3) 1 d PDU A 2
F3B F 0.4252(7) 0.3975(15) 0.061(2) 0.147(9) Uani 0.42(3) 1 d PDU A 2
F4 F 0.6663(4) 0.5376(4) 0.8764(9) 0.183(4) Uani 1 1 d . . .
F5 F 0.4310(10) 0.2936(7) 0.9061(14) 0.132(5) Uani 0.581(19) 1 d PDU B 1
F6 F 0.4877(5) 0.2607(10) 0.8867(17) 0.152(7) Uani 0.581(19) 1 d PDU B 1
F7 F 0.3980(7) 0.2034(5) 0.8991(15) 0.128(6) Uani 0.581(19) 1 d PDU B 1
F5B F 0.3947(9) 0.2561(14) 0.911(2) 0.151(6) Uani 0.419(19) 1 d PDU B 2
F6B F 0.4853(7) 0.2946(9) 0.895(2) 0.128(7) Uani 0.419(19) 1 d PDU B 2
F7B F 0.4319(13) 0.2038(7) 0.884(2) 0.143(6) Uani 0.419(19) 1 d PDU B 2
F8 F 0.6104(4) 0.2161(5) 0.1438(9) 0.180(4) Uani 1 1 d . . .
F9 F 0.2588(10) 0.2004(7) 0.0599(17) 0.151(6) Uani 0.59(2) 1 d PDU C 1
F10 F 0.3031(7) 0.1550(10) 0.0919(14) 0.141(6) Uani 0.59(2) 1 d PDU C 1
F11 F 0.2121(7) 0.1118(7) 0.1083(19) 0.184(8) Uani 0.59(2) 1 d PDU C 1
F9B F 0.2850(11) 0.1971(10) 0.044(2) 0.145(9) Uani 0.41(2) 1 d PDU C 2
F10B F 0.2645(16) 0.1148(11) 0.118(2) 0.167(8) Uani 0.41(2) 1 d PDU C 2
F11B F 0.2016(5) 0.1398(13) 0.117(2) 0.160(9) Uani 0.41(2) 1 d PDU C 2
F12 F 0.0729(6) 0.0379(6) 0.8806(13) 0.271(7) Uani 1 1 d . . .
O7 O 0.6118(13) 0.289(2) 0.795(4) 0.256(17) Uani 0.33 1 d PDU D -1
C41 C 0.649(2) 0.282(2) 0.721(5) 0.245(18) Uani 0.33 1 d PDU D -1
H41A H 0.6312 0.2643 0.6367 0.294 Uiso 0.33 1 calc PR D -1
H41B H 0.6614 0.2584 0.7651 0.294 Uiso 0.33 1 calc PR D -1
C42 C 0.6992(19) 0.344(2) 0.700(4) 0.250(18) Uani 0.33 1 d PDU D -1
H42A H 0.6902 0.3658 0.6368 0.300 Uiso 0.33 1 calc PR D -1
H42B H 0.7347 0.3453 0.6754 0.300 Uiso 0.33 1 calc PR D -1
C43 C 0.7005(17) 0.365(3) 0.844(5) 0.258(18) Uani 0.33 1 d PDU D -1
H43A H 0.7217 0.4062 0.8527 0.310 Uiso 0.33 1 calc PR D -1
H43B H 0.7156 0.3476 0.9059 0.310 Uiso 0.33 1 calc PR D -1
C44 C 0.6345(19) 0.339(3) 0.859(5) 0.245(17) Uani 0.33 1 d PDU D -1
H44A H 0.6233 0.3332 0.9518 0.294 Uiso 0.33 1 calc PR D -1
H44B H 0.6224 0.3644 0.8202 0.294 Uiso 0.33 1 calc PR D -1


_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 2.290(7) . ?
Dy1 O4 2.295(7) . ?
Dy1 O2 2.301(7) . ?
Dy1 O3 2.326(7) . ?
Dy1 O6 2.341(7) . ?
Dy1 O5 2.381(8) . ?
Dy1 N2 2.529(9) . ?
Dy1 N1 2.558(8) . ?
O1 C2 1.228(14) . ?
O2 C4 1.268(11) . ?
O3 C12 1.270(12) . ?
O4 C14 1.250(12) . ?
O5 C22 1.232(12) . ?
O6 C24 1.318(13) . ?
N1 C35 1.312(12) . ?
N1 C31 1.348(14) . ?
N2 C40 1.280(13) . ?
N2 C36 1.394(13) . ?
C1 F1 1.319(9) . ?
C1 F3 1.323(9) . ?
C1 F2B 1.328(7) . ?
C1 F3B 1.328(7) . ?
C1 F1B 1.335(7) . ?
C1 F2 1.348(9) . ?
C1 C2 1.516(15) . ?
C2 C3 1.388(15) . ?
C3 C4 1.397(13) . ?
C4 C5 1.490(14) . ?
C5 C10 1.389(15) . ?
C5 C6 1.409(14) . ?
C6 C7 1.388(17) . ?
C7 C8 1.281(18) . ?
C8 F4 1.309(14) . ?
C8 C9 1.34(2) . ?
C9 C10 1.392(16) . ?
C11 F7B 1.318(9) . ?
C11 F6B 1.322(9) . ?
C11 F5 1.316(9) . ?
C11 F7 1.320(9) . ?
C11 F5B 1.337(9) . ?
C11 F6 1.346(9) . ?
C11 C12 1.510(14) . ?
C12 C13 1.356(15) . ?
C13 C14 1.390(16) . ?
C14 C15 1.459(15) . ?
C15 C20 1.412(16) . ?
C15 C16 1.403(15) . ?
C16 C17 1.354(16) . ?
C17 C18 1.375(19) . ?
C18 C19 1.328(17) . ?
C18 F8 1.365(15) . ?
C19 C20 1.411(17) . ?
C21 F9B 1.310(10) . ?
C21 F10B 1.330(9) . ?
C21 F11 1.320(9) . ?
C21 F9 1.342(9) . ?
C21 F11B 1.363(9) . ?
C21 F10 1.360(9) . ?
C21 C22 1.480(15) . ?
C22 C23 1.362(15) . ?
C23 C24 1.404(15) . ?
C24 C25 1.466(16) . ?
C25 C26 1.371(9) . ?
C25 C30 1.373(9) . ?
C26 C27 1.353(9) . ?
C27 C28 1.354(9) . ?
C28 C29 1.371(9) . ?
C28 F12 1.368(18) . ?
C29 C30 1.382(9) . ?
C31 C32 1.339(15) . ?
C32 C33 1.363(16) . ?
C33 C34 1.407(16) . ?
C34 C35 1.333(14) . ?
C35 C36 1.455(15) . ?
C36 C37 1.362(15) . ?
C37 C38 1.329(17) . ?
C38 C39 1.370(18) . ?
C39 C40 1.419(17) . ?
O7 C44 1.329(10) . ?
O7 C41 1.330(10) . ?
C41 C42 1.551(10) . ?
C42 C43 1.551(10) . ?
C43 C44 1.552(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 O4 83.1(3) . . ?
O1 Dy1 O2 73.3(3) . . ?
O4 Dy1 O2 83.0(3) . . ?
O1 Dy1 O3 142.0(3) . . ?
O4 Dy1 O3 73.1(3) . . ?
O2 Dy1 O3 74.7(2) . . ?
O1 Dy1 O6 143.1(3) . . ?
O4 Dy1 O6 111.4(3) . . ?
O2 Dy1 O6 139.8(2) . . ?
O3 Dy1 O6 74.4(2) . . ?
O1 Dy1 O5 82.1(3) . . ?
O4 Dy1 O5 75.0(2) . . ?
O2 Dy1 O5 148.8(3) . . ?
O3 Dy1 O5 118.2(3) . . ?
O6 Dy1 O5 70.2(3) . . ?
O1 Dy1 N2 111.0(3) . . ?
O4 Dy1 N2 149.3(3) . . ?
O2 Dy1 N2 75.7(3) . . ?
O3 Dy1 N2 80.0(3) . . ?
O6 Dy1 N2 74.2(3) . . ?
O5 Dy1 N2 132.4(3) . . ?
O1 Dy1 N1 74.4(3) . . ?
O4 Dy1 N1 146.9(3) . . ?
O2 Dy1 N1 112.3(2) . . ?
O3 Dy1 N1 138.0(3) . . ?
O6 Dy1 N1 76.4(3) . . ?
O5 Dy1 N1 78.2(3) . . ?
N2 Dy1 N1 63.4(3) . . ?
C2 O1 Dy1 131.6(7) . . ?
C4 O2 Dy1 138.4(7) . . ?
C12 O3 Dy1 130.2(7) . . ?
C14 O4 Dy1 137.6(8) . . ?
C22 O5 Dy1 136.5(8) . . ?
C24 O6 Dy1 139.1(7) . . ?
C35 N1 C31 118.3(9) . . ?
C35 N1 Dy1 120.1(7) . . ?
C31 N1 Dy1 118.8(7) . . ?
C40 N2 C36 116.5(10) . . ?
C40 N2 Dy1 123.5(7) . . ?
C36 N2 Dy1 119.9(7) . . ?
F1 C1 F3 106.0(9) . . ?
F1 C1 F2B 119(2) . . ?
F3 C1 F2B 75.9(12) . . ?
F1 C1 F3B 71.1(11) . . ?
F3 C1 F3B 38.1(11) . . ?
F2B C1 F3B 105.7(8) . . ?
F1 C1 F1B 33.7(10) . . ?
F3 C1 F1B 135.8(16) . . ?
F2B C1 F1B 105.3(8) . . ?
F3B C1 F1B 104.5(8) . . ?
F1 C1 F2 105.1(9) . . ?
F3 C1 F2 104.9(9) . . ?
F2B C1 F2 29.5(13) . . ?
F3B C1 F2 128.6(16) . . ?
F1B C1 F2 80.7(15) . . ?
F1 C1 C2 115.6(13) . . ?
F3 C1 C2 110.9(12) . . ?
F2B C1 C2 120.1(16) . . ?
F3B C1 C2 113.6(14) . . ?
F1B C1 C2 106.2(14) . . ?
F2 C1 C2 113.5(13) . . ?
O1 C2 C3 131.8(11) . . ?
O1 C2 C1 113.6(11) . . ?
C3 C2 C1 114.6(12) . . ?
C2 C3 C4 121.5(10) . . ?
O2 C4 C3 121.1(10) . . ?
O2 C4 C5 117.6(9) . . ?
C3 C4 C5 121.3(10) . . ?
C10 C5 C6 116.0(12) . . ?
C10 C5 C4 119.9(10) . . ?
C6 C5 C4 124.0(12) . . ?
C7 C6 C5 117.9(12) . . ?
C8 C7 C6 124.5(13) . . ?
C7 C8 F4 122.0(17) . . ?
C7 C8 C9 120.0(13) . . ?
F4 C8 C9 117.9(17) . . ?
C8 C9 C10 119.4(14) . . ?
C5 C10 C9 121.7(13) . . ?
F7B C11 F6B 106.9(9) . . ?
F7B C11 F5 134.1(15) . . ?
F6B C11 F5 66.4(10) . . ?
F7B C11 F7 40.6(10) . . ?
F6B C11 F7 130.0(16) . . ?
F5 C11 F7 106.9(9) . . ?
F7B C11 F5B 104.9(9) . . ?
F6B C11 F5B 105.5(9) . . ?
F5 C11 F5B 43.8(9) . . ?
F7 C11 F5B 66.9(10) . . ?
F7B C11 F6 69.1(10) . . ?
F6B C11 F6 41.5(10) . . ?
F5 C11 F6 104.8(9) . . ?
F7 C11 F6 104.7(8) . . ?
F5B C11 F6 131.4(15) . . ?
F7B C11 C12 114.7(14) . . ?
F6B C11 C12 112.7(13) . . ?
F5 C11 C12 108.9(11) . . ?
F7 C11 C12 115.9(11) . . ?
F5B C11 C12 111.3(13) . . ?
F6 C11 C12 114.7(11) . . ?
O3 C12 C13 128.7(11) . . ?
O3 C12 C11 112.5(11) . . ?
C13 C12 C11 118.7(11) . . ?
C12 C13 C14 123.8(11) . . ?
O4 C14 C13 122.4(11) . . ?
O4 C14 C15 113.9(11) . . ?
C13 C14 C15 123.7(11) . . ?
C20 C15 C16 114.6(12) . . ?
C20 C15 C14 123.3(12) . . ?
C16 C15 C14 122.1(11) . . ?
C17 C16 C15 124.3(12) . . ?
C16 C17 C18 117.6(14) . . ?
C19 C18 F8 116.3(15) . . ?
C19 C18 C17 123.2(14) . . ?
F8 C18 C17 120.3(14) . . ?
C18 C19 C20 118.5(13) . . ?
C19 C20 C15 121.6(12) . . ?
F9B C21 F10B 107.2(9) . . ?
F9B C21 F11 116(2) . . ?
F10B C21 F11 62.2(10) . . ?
F9B C21 F9 33.6(11) . . ?
F10B C21 F9 132.6(16) . . ?
F11 C21 F9 105.2(9) . . ?
F9B C21 F11B 104.4(9) . . ?
F10B C21 F11B 102.6(9) . . ?
F11 C21 F11B 40.4(10) . . ?
F9 C21 F11B 76.9(13) . . ?
F9B C21 F10 69.1(11) . . ?
F10B C21 F10 47.7(11) . . ?
F11 C21 F10 104.4(8) . . ?
F9 C21 F10 102.5(8) . . ?
F11B C21 F10 139.2(13) . . ?
F9B C21 C22 117.9(16) . . ?
F10B C21 C22 113.3(13) . . ?
F11 C21 C22 123.5(13) . . ?
F9 C21 C22 111.0(13) . . ?
F11B C21 C22 110.1(14) . . ?
F10 C21 C22 108.1(10) . . ?
O5 C22 C23 126.7(12) . . ?
O5 C22 C21 118.4(12) . . ?
C23 C22 C21 115.0(11) . . ?
C22 C23 C24 123.9(12) . . ?
O6 C24 C23 121.4(11) . . ?
O6 C24 C25 116.0(11) . . ?
C23 C24 C25 122.7(12) . . ?
C26 C25 C30 117.0(12) . . ?
C26 C25 C24 123.1(11) . . ?
C30 C25 C24 119.9(12) . . ?
C27 C26 C25 124.8(14) . . ?
C28 C27 C26 115.0(16) . . ?
C27 C28 C29 125.3(17) . . ?
C27 C28 F12 119.1(15) . . ?
C29 C28 F12 115.4(14) . . ?
C28 C29 C30 116.3(15) . . ?
C25 C30 C29 121.5(13) . . ?
C32 C31 N1 122.8(11) . . ?
C31 C32 C33 120.6(13) . . ?
C32 C33 C34 114.8(12) . . ?
C35 C34 C33 122.5(12) . . ?
N1 C35 C34 120.9(11) . . ?
N1 C35 C36 116.9(10) . . ?
C34 C35 C36 122.0(11) . . ?
C37 C36 N2 118.4(12) . . ?
C37 C36 C35 125.6(12) . . ?
N2 C36 C35 116.0(10) . . ?
C38 C37 C36 125.2(13) . . ?
C37 C38 C39 117.1(14) . . ?
C38 C39 C40 116.6(14) . . ?
N2 C40 C39 126.1(12) . . ?
C44 O7 C41 115.0(11) . . ?
O7 C41 C42 103.5(13) . . ?
C41 C42 C43 96.1(12) . . ?
C42 C43 C44 96.7(12) . . ?
O7 C44 C43 104.1(13) . . ?

_diffrn_measured_fraction_theta_max 0.926
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.926
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.107
####################################################################### 
# 
# 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_xb8570_0m
_database_code_depnum_ccdc_archive 'CCDC 1518734'
_audit_update_record             
;
2016-11-23 deposited with the CCDC.
2017-01-09 downloaded from the CCDC.
;
_audit_creation_date             2016-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C43 H32 Dy F9 N2 O6'
_chemical_formula_sum            'C43 H32 Dy F9 N2 O6'
_chemical_formula_weight         1006.21
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 '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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.429(3)
_cell_length_b                   17.651(4)
_cell_length_c                   21.655(5)
_cell_angle_alpha                87.902(5)
_cell_angle_beta                 74.279(5)
_cell_angle_gamma                71.393(4)
_cell_volume                     4327.5(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    21152
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.000
_cell_measurement_theta_min      0.978
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.813
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1996
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1255
_diffrn_reflns_av_unetI/netI     0.2946
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21152
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         0.978
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7990
_reflns_number_total             15050
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.095
_refine_diff_density_min         -1.066
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         15050
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.1225
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0845P)²+270.3752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2068
_refine_ls_wR_factor_ref         0.2561
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C98-C180
 1.4 with sigma of 0.02
 C47-C46
 1.4 with sigma of 0.02
 C11-C90
 1.2 with sigma of 0.02
 C44-C104
 1.2 with sigma of 0.02
 C88-C50 = C88-C47
 1.4 with sigma of 0.01
3. Rigid bond restraints
 C32, C186
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C46, C47
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C99, C182
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C98, C180
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O6) \\sim
Ueq, Uanis(O8) \\sim Ueq, Uanis(O12) \\sim Ueq: with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(N3) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(N1) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C2AA) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C6)
\\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C17) \\sim Ueq,
Uanis(C24) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C27)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C81) \\sim Ueq,
Uanis(C82) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C97)
\\sim Ueq, Uanis(C98) \\sim Ueq, : with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C9) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34)
\\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C52) \\sim Ueq,
Uanis(C58) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C69)
\\sim Ueq, Uanis(C86) \\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C94) \\sim Ueq,
Uanis(C96) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F17) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C12)
\\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C103) \\sim Ueq,
Uanis(C179) \\sim Ueq, Uanis(C182) \\sim Ueq, Uanis(C183) \\sim Ueq,
Uanis(C184) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C61) \\sim Ueq,
Uanis(C71) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C89)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F18) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(C38)
\\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C46) \\sim Ueq,
Uanis(C177) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C104)
\\sim Ueq, Uanis(C99) \\sim Ueq, Uanis(C0AA) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.002
5.a Aromatic/amide H refined with riding coordinates:
 C25(H25), C26(H26), C27(H27), C28(H28), C62(H62), C94(H94), C69(H69),
 C70(H70), C71(H71), C182(H182), C99(H99), C98(H98), C180(H180), C33(H33),
 C34(H34), C31(H31), C30(H30), C45(H45), C46(H46), C88(H88), C50(H50), C37(H37),
  C52(H52), C57(H57), C56(H56), C53(H53), C59(H59), C18(H18), C5(H5), C6(H6),
 C12(H12), C2(H2), C15(H15), C16(H16), C8(H8), C13(H13), C80(H80), C79(H79),
 C86(H86), C179(H179), C181(H181), C183(H183), C184(H184), C0AA(H0AA), C9(H9),
 C10(H10)
5.b Fitted hexagon refined as free rotating group:
 C25(C26,C27,C28,N4,C24)
5.c Idealised Me refined as rotating group:
 C55(H55A,H55B,H55C), C82(H82A,H82B,H82C), C84(H84A,H84B,H84C), C89(H89A,H89B,
 H89C), C103(H10A,H10B,H10C), C186(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C36 C 1.119(2) 0.0355(13) 0.0382(13) 0.071(13) Uani 1 1 d . U . . .
H25 H 1.1403 -0.0130 0.0574 0.085 Uiso 1 1 calc R . . . .
C35 C 1.2047(17) 0.0625(16) -0.0025(14) 0.077(14) Uani 1 1 d G U . . .
H26 H 1.2839 0.0321 -0.0105 0.092 Uiso 1 1 calc R . . . .
C34 C 1.1724(19) 0.1350(17) -0.0311(12) 0.073(14) Uani 1 1 d G U . . .
H27 H 1.2299 0.1531 -0.0584 0.088 Uiso 1 1 calc R . . . .
C33 C 1.054(2) 0.1805(12) -0.0191(11) 0.047(9) Uani 1 1 d G U . . .
H28 H 1.0323 0.2289 -0.0383 0.057 Uiso 1 1 calc R . . . .
N1 N 0.9679(16) 0.1535(13) 0.0216(11) 0.046(8) Uani 1 1 d G U . . .
C37 C 1.000(2) 0.0810(14) 0.0502(11) 0.055(10) Uani 1 1 d G U . . .
C81 C 0.363(4) 0.094(3) -0.481(2) 0.059(11) Uani 1 1 d . U . . .
C85 C 0.329(4) 0.093(3) -0.372(2) 0.071(13) Uani 1 1 d . U . . .
H62 H 0.3329 0.1132 -0.3336 0.086 Uiso 1 1 calc R . . . .
N3 N 0.386(3) 0.118(2) -0.4259(18) 0.068(10) Uani 1 1 d . U . . .
C79 C 0.404(5) 0.103(3) -0.602(3) 0.101(18) Uani 1 1 d . U . . .
H94 H 0.3407 0.0867 -0.6033 0.121 Uiso 1 1 calc R . . . .
C78 C 0.488(5) 0.117(3) -0.657(3) 0.097(18) Uani 1 1 d . U . . .
H69 H 0.4935 0.0954 -0.6969 0.116 Uiso 1 1 calc R . . . .
C77 C 0.555(5) 0.160(3) -0.655(2) 0.088(17) Uani 1 1 d . . . . .
H70 H 0.5973 0.1757 -0.6927 0.106 Uiso 1 1 calc R . . . .
C76 C 0.564(4) 0.181(3) -0.596(2) 0.079(14) Uani 1 1 d . U . . .
H71 H 0.6096 0.2138 -0.5943 0.095 Uiso 1 1 calc R . . . .
N4 N 0.509(3) 0.1559(18) -0.5404(13) 0.048(7) Uani 1 1 d . U . . .
C80 C 0.432(5) 0.116(3) -0.540(3) 0.083(15) Uani 1 1 d . U . . .
C31 C 0.894(5) 0.287(3) 0.330(3) 0.102(14) Uani 1 1 d . U . . .
H182 H 0.8697 0.2888 0.3747 0.122 Uiso 1 1 calc R . . . .
C99 C 0.825(4) 0.278(3) 0.286(2) 0.082(11) Uani 1 1 d . U . . .
H99 H 0.7529 0.2702 0.3046 0.098 Uiso 1 1 calc R . . . .
C27 C 0.856(4) 0.281(3) 0.225(2) 0.056(10) Uani 1 1 d . U . . .
C28 C 0.941(5) 0.303(3) 0.199(3) 0.086(15) Uani 1 1 d D U . . .
H98 H 0.9461 0.3202 0.1572 0.103 Uiso 1 1 calc R . . . .
C29 C 1.032(6) 0.303(5) 0.226(4) 0.20(3) Uiso 1 1 d D U . . .
H180 H 1.1016 0.3102 0.2012 0.234 Uiso 1 1 calc R . . . .
C30 C 1.012(8) 0.292(5) 0.289(4) 0.16(3) Uiso 1 1 d . U . . .
C49 C 0.614(4) 0.491(2) -0.659(2) 0.056(11) Uani 1 1 d . U . . .
H33 H 0.6029 0.5120 -0.6975 0.067 Uiso 1 1 calc R . . . .
C48 C 0.535(4) 0.457(3) -0.625(2) 0.072(13) Uani 1 1 d . U . . .
H34 H 0.4704 0.4575 -0.6393 0.087 Uiso 1 1 calc R . . . .
C47 C 0.554(3) 0.419(3) -0.5681(18) 0.053(11) Uani 1 1 d . . . . .
C52 C 0.659(5) 0.414(4) -0.551(3) 0.094(19) Uani 1 1 d . . . . .
H31 H 0.6776 0.3879 -0.5158 0.113 Uiso 1 1 calc R . . . .
C51 C 0.735(4) 0.453(3) -0.593(2) 0.068(11) Uani 1 1 d . U . . .
H30 H 0.8072 0.4467 -0.5852 0.081 Uiso 1 1 calc R . . . .
C50 C 0.709(4) 0.497(3) -0.642(2) 0.072(13) Uani 1 1 d . U . . .
C59 C 0.600(5) 0.042(3) -0.265(2) 0.079(15) Uani 1 1 d . . . . .
H45 H 0.5287 0.0783 -0.2680 0.095 Uiso 1 1 calc R . . . .
C60 C 0.605(4) -0.002(3) -0.210(3) 0.087(15) Uani 1 1 d D U . . .
H46 H 0.5382 0.0037 -0.1756 0.104 Uiso 1 1 calc R . . . .
C61 C 0.715(4) -0.055(3) -0.208(2) 0.080(14) Uani 1 1 d D U . . .
C62 C 0.818(5) -0.072(3) -0.259(2) 0.13(3) Uani 1 1 d D . . . .
H88 H 0.8889 -0.1100 -0.2566 0.158 Uiso 1 1 calc R . . . .
C63 C 0.808(6) -0.027(3) -0.313(2) 0.091(18) Uani 1 1 d D . . . .
H50 H 0.8759 -0.0387 -0.3469 0.109 Uiso 1 1 calc R . . . .
C58 C 0.714(4) 0.029(2) -0.3222(18) 0.047(10) Uani 1 1 d D U . . .
Dy2 Dy 0.49261(18) 0.21962(12) -0.43094(8) 0.0446(6) Uani 1 1 d . . . . .
F15 F 0.091(3) 0.397(3) -0.4428(18) 0.148(17) Uani 1 1 d . . . . .
F14 F 0.142(3) 0.305(2) -0.5085(18) 0.133(14) Uani 1 1 d . . . . .
F13 F 0.143(3) 0.421(3) -0.541(2) 0.152(17) Uani 1 1 d . . . . .
F17 F 0.999(3) 0.096(2) -0.5002(17) 0.118(12) Uani 1 1 d . . . . .
F16 F 0.913(3) 0.117(2) -0.5744(16) 0.131(13) Uani 1 1 d . . . . .
F11 F 0.327(3) 0.2557(19) -0.1579(13) 0.100(9) Uani 1 1 d . U . . .
F10 F 0.290(3) 0.176(2) -0.2151(14) 0.115(11) Uani 1 1 d . . . . .
F12 F 0.195(3) 0.301(3) -0.2091(17) 0.134(14) Uani 1 1 d . . . . .
F18 F 0.897(3) 0.215(2) -0.5184(18) 0.136(14) Uani 1 1 d . . . . .
O8 O 0.310(3) 0.3016(19) -0.4549(14) 0.071(9) Uani 1 1 d . . . . .
O7 O 0.526(3) 0.3218(18) -0.4928(14) 0.067(8) Uani 1 1 d . U . . .
O9 O 0.374(2) 0.2445(14) -0.3253(11) 0.043(6) Uani 1 1 d . U . . .
O10 O 0.576(2) 0.2855(17) -0.3764(13) 0.065(8) Uani 1 1 d . . . . .
O11 O 0.585(2) 0.1115(16) -0.3788(15) 0.063(8) Uani 1 1 d . . . . .
O12 O 0.689(2) 0.1727(19) -0.4860(12) 0.064(8) Uani 1 1 d . . . . .
C44 C 0.288(4) 0.354(3) -0.492(2) 0.056(11) Uani 1 1 d . U . . .
C45 C 0.362(3) 0.3843(19) -0.5337(15) 0.033(7) Uani 1 1 d . U . . .
H37 H 0.3349 0.4160 -0.5652 0.039 Uiso 1 1 calc R . . . .
C46 C 0.482(4) 0.370(3) -0.532(2) 0.066(12) Uani 1 1 d . U . . .
C43 C 0.161(4) 0.376(3) -0.493(2) 0.058(11) Uani 1 1 d . U . . .
C66 C 0.391(3) 0.262(2) -0.2739(16) 0.033(7) Uani 1 1 d . U . . .
C74 C 0.719(4) 0.369(2) -0.361(2) 0.059(11) Uani 1 1 d . U . . .
H52 H 0.7193 0.3551 -0.4023 0.070 Uiso 1 1 calc R . . . .
C70 C 0.652(3) 0.362(3) -0.248(2) 0.062(12) Uani 1 1 d . . . . .
H57 H 0.6060 0.3469 -0.2119 0.075 Uiso 1 1 calc R . . . .
C71 C 0.730(4) 0.402(3) -0.243(3) 0.079(16) Uani 1 1 d . . . . .
H56 H 0.7367 0.4113 -0.2019 0.094 Uiso 1 1 calc R . . . .
C72 C 0.795(5) 0.429(3) -0.294(4) 0.09(2) Uani 1 1 d . . . . .
C73 C 0.792(4) 0.412(3) -0.355(2) 0.071(14) Uani 1 1 d . . . . .
H53 H 0.8366 0.4290 -0.3908 0.085 Uiso 1 1 calc R . . . .
C55 C 0.780(3) 0.135(2) -0.4696(19) 0.049(10) Uani 1 1 d . U . . .
C75 C 0.884(5) 0.469(3) -0.288(3) 0.102(18) Uani 1 1 d . U . . .
H55A H 0.9354 0.4700 -0.3295 0.153 Uiso 1 1 calc GR . . . .
H55B H 0.9291 0.4399 -0.2600 0.153 Uiso 1 1 calc GR . . . .
H55C H 0.8422 0.5230 -0.2702 0.153 Uiso 1 1 calc GR . . . .
C65 C 0.298(5) 0.253(3) -0.213(2) 0.071(13) Uani 1 1 d . U . . .
C54 C 0.906(5) 0.140(4) -0.516(3) 0.082(15) Uani 1 1 d . U . . .
C67 C 0.478(4) 0.294(3) -0.268(2) 0.076(14) Uani 1 1 d . U . . .
H59 H 0.4732 0.3118 -0.2273 0.091 Uiso 1 1 calc R . . . .
C68 C 0.574(4) 0.303(3) -0.321(2) 0.057(11) Uani 1 1 d . U . . .
Dy1 Dy 0.75764(14) 0.23465(10) 0.03931(9) 0.0348(5) Uani 1 1 d . . . . .
F3 F 0.406(3) 0.338(3) 0.283(2) 0.168(18) Uani 1 1 d . . . . .
F2 F 0.397(5) 0.251(4) 0.218(3) 0.25(3) Uani 1 1 d . . . . .
F6 F 0.419(3) 0.189(2) 0.0069(19) 0.116(12) Uani 1 1 d . . . . .
F5 F 0.509(3) 0.077(2) 0.001(3) 0.17(2) Uani 1 1 d . . . . .
F4 F 0.477(3) 0.135(3) -0.0814(18) 0.17(2) Uani 1 1 d . . . . .
F1 F 0.369(4) 0.359(4) 0.188(3) 0.25(3) Uani 1 1 d . . . . .
O2 O 0.8446(19) 0.3282(19) -0.0016(13) 0.060(8) Uani 1 1 d . . . . .
O6 O 0.822(2) 0.2594(16) 0.1247(13) 0.056(7) Uani 1 1 d . . . . .
O5 O 0.589(2) 0.2713(16) 0.1256(13) 0.060(7) Uani 1 1 d . U . . .
O4 O 0.642(2) 0.1660(17) 0.0133(14) 0.063(8) Uani 1 1 d . U . . .
O3 O 0.835(2) 0.1909(15) -0.0703(12) 0.047(6) Uani 1 1 d . U . . .
C25 C 0.646(3) 0.298(2) 0.2173(19) 0.046(10) Uani 1 1 d . . . . .
H18 H 0.6176 0.3155 0.2605 0.055 Uiso 1 1 calc R . . . .
C24 C 0.570(4) 0.293(2) 0.184(2) 0.057(11) Uani 1 1 d . U . . .
C2 C 0.815(3) 0.389(2) -0.0384(17) 0.039(8) Uani 1 1 d . U . . .
O1 O 0.624(2) 0.3296(14) -0.0003(12) 0.044(6) Uani 1 1 d . U . . .
C23 C 0.436(4) 0.307(4) 0.219(3) 0.082(17) Uani 1 1 d . . . . .
F8 F 1.018(4) 0.369(3) -0.090(2) 0.152(15) Uani 1 1 d . U . . .
F9 F 0.951(4) 0.444(3) -0.024(2) 0.148(14) Uani 1 1 d . U . . .
F7 F 0.890(4) 0.486(3) -0.093(3) 0.22(3) Uani 1 1 d . . . . .
C1 C 0.921(5) 0.420(3) -0.074(3) 0.094(14) Uiso 1 1 d . . . . .
C21 C 0.937(3) 0.225(2) -0.1933(18) 0.044(9) Uani 1 1 d . U . . .
H5 H 0.9498 0.2471 -0.1586 0.052 Uiso 1 1 calc R . . . .
C20 C 1.000(3) 0.237(2) -0.2549(19) 0.055(10) Uani 1 1 d . U . . .
H6 H 1.0538 0.2645 -0.2599 0.066 Uiso 1 1 calc R . . . .
C5 C 0.535(4) 0.418(3) -0.055(3) 0.106(19) Uani 1 1 d D U . . .
C6 C 0.434(3) 0.385(2) -0.0478(19) 0.051(10) Uani 1 1 d . U . . .
H12 H 0.4380 0.3406 -0.0231 0.062 Uiso 1 1 calc R . . . .
C14 C 0.676(3) 0.169(2) -0.0957(17) 0.038(8) Uani 1 1 d . U . . .
H2 H 0.6416 0.1680 -0.1288 0.046 Uiso 1 1 calc R . . . .
C9 C 0.397(4) 0.517(3) -0.120(2) 0.072(13) Uani 1 1 d . U . . .
H15 H 0.3889 0.5623 -0.1434 0.087 Uiso 1 1 calc R . . . .
C10 C 0.494(3) 0.489(2) -0.0971(17) 0.045(9) Uani 1 1 d . U . . .
H16 H 0.5462 0.5175 -0.1094 0.054 Uiso 1 1 calc R . . . .
C3 C 0.721(3) 0.4165(19) -0.0548(16) 0.034(8) Uani 1 1 d . U . . .
H8 H 0.7147 0.4590 -0.0816 0.041 Uiso 1 1 calc R . . . .
C8 C 0.308(4) 0.480(3) -0.108(2) 0.068(12) Uani 1 1 d . U . . .
C15 C 0.795(3) 0.181(2) -0.1149(18) 0.042(9) Uani 1 1 d . U . . .
C16 C 0.862(4) 0.187(2) -0.181(2) 0.059(12) Uani 1 1 d . . . . .
C7 C 0.338(4) 0.410(3) -0.071(2) 0.063(12) Uani 1 1 d . U . . .
H13 H 0.2873 0.3802 -0.0630 0.075 Uiso 1 1 calc R . . . .
C13 C 0.615(3) 0.161(2) -0.0377(17) 0.041(8) Uani 1 1 d . U . . .
C22 C 1.037(4) 0.218(3) -0.373(2) 0.080(14) Uani 1 1 d . U . . .
H82A H 1.0855 0.2512 -0.3745 0.120 Uiso 1 1 calc GR . . . .
H82B H 0.9768 0.2434 -0.3942 0.120 Uiso 1 1 calc GR . . . .
H82C H 1.0840 0.1668 -0.3938 0.120 Uiso 1 1 calc GR . . . .
C18 C 0.893(4) 0.174(3) -0.292(2) 0.073(13) Uani 1 1 d . U . . .
H80 H 0.8665 0.1635 -0.3261 0.088 Uiso 1 1 calc R . . . .
C17 C 0.842(4) 0.155(3) -0.234(2) 0.078(15) Uani 1 1 d . . . . .
H79 H 0.7951 0.1219 -0.2293 0.094 Uiso 1 1 calc R . . . .
C19 C 0.982(4) 0.208(3) -0.308(2) 0.068(12) Uani 1 1 d . U . . .
C12 C 0.505(5) 0.141(4) -0.032(3) 0.078(15) Uani 1 1 d . . . . .
C11 C 0.214(4) 0.503(3) -0.139(3) 0.086(16) Uani 1 1 d . . . . .
H84A H 0.1759 0.4626 -0.1329 0.128 Uiso 1 1 calc GR . . . .
H84B H 0.2461 0.5073 -0.1839 0.128 Uiso 1 1 calc GR . . . .
H84C H 0.1581 0.5532 -0.1201 0.128 Uiso 1 1 calc GR . . . .
C26 C 0.772(4) 0.278(3) 0.185(2) 0.067(12) Uani 1 1 d . U . . .
C56 C 0.792(4) 0.085(2) -0.4181(18) 0.052(10) Uani 1 1 d . U . . .
H86 H 0.8678 0.0565 -0.4157 0.062 Uiso 1 1 calc R . . . .
C64 C 0.738(7) -0.109(5) -0.148(4) 0.16(3) Uani 1 1 d . U . . .
H89A H 0.8164 -0.1160 -0.1453 0.239 Uiso 1 1 calc GR . . . .
H89B H 0.7310 -0.1607 -0.1549 0.239 Uiso 1 1 calc GR . . . .
H89C H 0.6815 -0.0831 -0.1094 0.239 Uiso 1 1 calc GR . . . .
C4 C 0.621(3) 0.386(2) -0.0346(18) 0.045(9) Uani 1 1 d D U . . .
C69 C 0.645(3) 0.346(2) -0.3087(18) 0.044(9) Uani 1 1 d . U . . .
C32 C 1.107(6) 0.296(4) 0.326(3) 0.14(2) Uani 1 1 d . U . . .
H10A H 1.1343 0.2450 0.3443 0.206 Uiso 1 1 calc GR . . . .
H10B H 1.0704 0.3372 0.3596 0.206 Uiso 1 1 calc GR . . . .
H10C H 1.1722 0.3064 0.2961 0.206 Uiso 1 1 calc GR . . . .
C57 C 0.685(5) 0.074(3) -0.365(2) 0.079(12) Uani 1 1 d D U . . .
C38 C 0.911(4) 0.055(3) 0.096(2) 0.057(11) Uani 1 1 d . U . . .
C42 C 0.720(4) 0.081(3) 0.135(2) 0.058(11) Uani 1 1 d . U . . .
H179 H 0.6436 0.1095 0.1339 0.069 Uiso 1 1 calc R . . . .
C39 C 0.937(5) -0.011(3) 0.129(2) 0.080(15) Uani 1 1 d . . . . .
H181 H 1.0148 -0.0415 0.1267 0.096 Uiso 1 1 calc R . . . .
N2 N 0.797(3) 0.1079(18) 0.0998(14) 0.042(7) Uani 1 1 d . U . . .
C41 C 0.728(5) 0.018(3) 0.175(3) 0.090(16) Uani 1 1 d . U . . .
H183 H 0.6637 0.0080 0.2040 0.108 Uiso 1 1 calc R . . . .
C40 C 0.842(5) -0.028(4) 0.167(3) 0.098(18) Uani 1 1 d . U . . .
H184 H 0.8565 -0.0755 0.1889 0.117 Uiso 1 1 calc R . . . .
C53 C 0.789(4) 0.538(3) -0.682(2) 0.084(15) Uani 1 1 d . U . . .
H18A H 0.8689 0.5109 -0.6806 0.126 Uiso 1 1 calc GR . . . .
H18B H 0.7654 0.5925 -0.6656 0.126 Uiso 1 1 calc GR . . . .
H18C H 0.7847 0.5374 -0.7254 0.126 Uiso 1 1 calc GR . . . .
C84 C 0.266(4) 0.042(3) -0.365(2) 0.068(11) Uani 1 1 d . U . . .
H0AA H 0.2366 0.0245 -0.3249 0.081 Uiso 1 1 calc R . . . .
C82 C 0.302(4) 0.042(3) -0.476(2) 0.066(12) Uani 1 1 d . U . . .
H9 H 0.2979 0.0216 -0.5144 0.079 Uiso 1 1 calc R . . . .
C83 C 0.246(6) 0.015(4) -0.418(3) 0.12(2) Uani 1 1 d . U . . .
H10 H 0.1990 -0.0170 -0.4163 0.144 Uiso 1 1 calc R . . . .


_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
C36 H25 0.9300 . ?
C36 C35 1.3900 . ?
C36 C37 1.3900 . ?
C35 H26 0.9300 . ?
C35 C34 1.3900 . ?
C34 H27 0.9300 . ?
C34 C33 1.3900 . ?
C33 H28 0.9300 . ?
C33 N1 1.3900 . ?
N1 C37 1.3900 . ?
N1 Dy1 2.477(18) . ?
C37 C38 1.46(5) . ?
C81 N3 1.40(5) . ?
C81 C80 1.46(6) . ?
C81 C82 1.36(6) . ?
C85 H62 0.9300 . ?
C85 N3 1.34(5) . ?
C85 C84 1.35(6) . ?
N3 Dy2 2.53(4) . ?
C79 H94 0.9300 . ?
C79 C78 1.44(7) . ?
C79 C80 1.51(7) . ?
C78 H69 0.9300 . ?
C78 C77 1.30(7) . ?
C77 H70 0.9300 . ?
C77 C76 1.39(6) . ?
C76 H71 0.9300 . ?
C76 N4 1.35(5) . ?
N4 C80 1.36(6) . ?
N4 Dy2 2.59(3) . ?
C31 H182 0.9300 . ?
C31 C99 1.48(7) . ?
C31 C30 1.52(9) . ?
C99 H99 0.9300 . ?
C99 C27 1.27(6) . ?
C27 C28 1.23(6) . ?
C27 C26 1.55(6) . ?
C28 H98 0.9300 . ?
C28 C29 1.40(2) . ?
C29 H180 0.9300 . ?
C29 C30 1.35(10) . ?
C30 C32 1.61(9) . ?
C49 H33 0.9300 . ?
C49 C48 1.34(6) . ?
C49 C50 1.38(6) . ?
C48 H34 0.9300 . ?
C48 C47 1.42(6) . ?
C47 C52 1.43(6) . ?
C47 C46 1.49(6) . ?
C52 H31 0.9300 . ?
C52 C51 1.44(7) . ?
C51 H30 0.9300 . ?
C51 C50 1.33(6) . ?
C50 C53 1.49(6) . ?
C59 H45 0.9300 . ?
C59 C60 1.41(6) . ?
C59 C58 1.57(6) . ?
C60 H46 0.9300 . ?
C60 C61 1.39(2) . ?
C61 C62 1.399(10) . ?
C61 C64 1.62(8) . ?
C62 H88 0.9300 . ?
C62 C63 1.400(10) . ?
C63 H50 0.9300 . ?
C63 C58 1.33(6) . ?
C58 C57 1.24(2) . ?
Dy2 O8 2.45(3) . ?
Dy2 O7 2.28(3) . ?
Dy2 O9 2.33(2) . ?
Dy2 O10 2.31(3) . ?
Dy2 O11 2.32(3) . ?
Dy2 O12 2.30(3) . ?
F15 C43 1.18(5) . ?
F14 C43 1.42(6) . ?
F13 C43 1.31(5) . ?
F17 C54 1.29(6) . ?
F16 C54 1.33(6) . ?
F11 C65 1.34(5) . ?
F10 C65 1.40(5) . ?
F12 C65 1.27(5) . ?
F18 C54 1.29(6) . ?
O8 C44 1.22(4) . ?
O7 C46 1.28(5) . ?
O9 C66 1.25(4) . ?
O10 C68 1.25(5) . ?
O11 C57 1.32(5) . ?
O12 C55 1.25(4) . ?
C44 C45 1.33(5) . ?
C44 C43 1.50(6) . ?
C45 H37 0.9300 . ?
C45 C46 1.44(5) . ?
C66 C65 1.54(6) . ?
C66 C67 1.41(5) . ?
C74 H52 0.9300 . ?
C74 C73 1.39(6) . ?
C74 C69 1.40(5) . ?
C70 H57 0.9300 . ?
C70 C71 1.40(6) . ?
C70 C69 1.38(5) . ?
C71 H56 0.9300 . ?
C71 C72 1.35(7) . ?
C72 C73 1.39(7) . ?
C72 C75 1.52(7) . ?
C73 H53 0.9300 . ?
C55 C54 1.64(6) . ?
C55 C56 1.41(5) . ?
C75 H55A 0.9600 . ?
C75 H55B 0.9600 . ?
C75 H55C 0.9600 . ?
C67 H59 0.9300 . ?
C67 C68 1.45(6) . ?
C68 C69 1.40(5) . ?
Dy1 O2 2.28(3) . ?
Dy1 O6 2.30(3) . ?
Dy1 O5 2.33(3) . ?
Dy1 O4 2.34(3) . ?
Dy1 O3 2.36(2) . ?
Dy1 O1 2.28(2) . ?
Dy1 N2 2.53(3) . ?
F3 C23 1.41(6) . ?
F2 C23 1.23(7) . ?
F6 C12 1.25(6) . ?
F5 C12 1.30(6) . ?
F4 C12 1.23(5) . ?
F1 C23 1.34(7) . ?
O2 C2 1.34(4) . ?
O6 C26 1.29(5) . ?
O5 C24 1.27(5) . ?
O4 C13 1.25(4) . ?
O3 C15 1.24(4) . ?
C25 H18 0.9300 . ?
C25 C24 1.36(5) . ?
C25 C26 1.46(6) . ?
C24 C23 1.57(6) . ?
C2 C1 1.58(6) . ?
C2 C3 1.25(4) . ?
O1 C4 1.22(4) . ?
F8 C1 1.22(6) . ?
F9 C1 1.37(6) . ?
F7 C1 1.21(6) . ?
C21 H5 0.9300 . ?
C21 C20 1.40(5) . ?
C21 C16 1.29(5) . ?
C20 H6 0.9300 . ?
C20 C19 1.37(6) . ?
C5 C6 1.51(6) . ?
C5 C10 1.54(6) . ?
C5 C4 1.24(2) . ?
C6 H12 0.9300 . ?
C6 C7 1.36(5) . ?
C14 H2 0.9300 . ?
C14 C15 1.51(5) . ?
C14 C13 1.31(5) . ?
C9 H15 0.9300 . ?
C9 C10 1.36(5) . ?
C9 C8 1.41(6) . ?
C10 H16 0.9300 . ?
C3 H8 0.9300 . ?
C3 C4 1.46(5) . ?
C8 C7 1.45(6) . ?
C8 C11 1.44(6) . ?
C15 C16 1.47(6) . ?
C16 C17 1.42(5) . ?
C7 H13 0.9300 . ?
C13 C12 1.49(6) . ?
C22 H82A 0.9600 . ?
C22 H82B 0.9600 . ?
C22 H82C 0.9600 . ?
C22 C19 1.41(6) . ?
C18 H80 0.9300 . ?
C18 C17 1.33(6) . ?
C18 C19 1.38(6) . ?
C17 H79 0.9300 . ?
C11 H84A 0.9600 . ?
C11 H84B 0.9600 . ?
C11 H84C 0.9600 . ?
C56 H86 0.9300 . ?
C56 C57 1.57(6) . ?
C64 H89A 0.9600 . ?
C64 H89B 0.9600 . ?
C64 H89C 0.9600 . ?
C32 H10A 0.9618 . ?
C32 H10B 0.9619 . ?
C32 H10C 0.9618 . ?
C38 C39 1.34(6) . ?
C38 N2 1.41(5) . ?
C42 H179 0.9300 . ?
C42 N2 1.26(5) . ?
C42 C41 1.39(6) . ?
C39 H181 0.9300 . ?
C39 C40 1.37(7) . ?
C41 H183 0.9300 . ?
C41 C40 1.36(7) . ?
C40 H184 0.9300 . ?
C53 H18A 0.9600 . ?
C53 H18B 0.9600 . ?
C53 H18C 0.9600 . ?
C84 H0AA 0.9300 . ?
C84 C83 1.37(7) . ?
C82 H9 0.9300 . ?
C82 C83 1.40(7) . ?
C83 H10 0.9300 . ?

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
C35 C36 H25 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H25 120.0 . . ?
C36 C35 H26 120.0 . . ?
C36 C35 C34 120.0 . . ?
C34 C35 H26 120.0 . . ?
C35 C34 H27 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H27 120.0 . . ?
C34 C33 H28 120.0 . . ?
C34 C33 N1 120.0 . . ?
N1 C33 H28 120.0 . . ?
C33 N1 Dy1 118.9(12) . . ?
C37 N1 C33 120.0 . . ?
C37 N1 Dy1 121.1(12) . . ?
C36 C37 C38 120(2) . . ?
N1 C37 C36 120.0 . . ?
N1 C37 C38 120(2) . . ?
N3 C81 C80 113(4) . . ?
C82 C81 N3 120(4) . . ?
C82 C81 C80 125(5) . . ?
N3 C85 H62 116.1 . . ?
N3 C85 C84 128(5) . . ?
C84 C85 H62 115.8 . . ?
C81 N3 Dy2 121(3) . . ?
C85 N3 C81 113(4) . . ?
C85 N3 Dy2 125(3) . . ?
C78 C79 H94 123.9 . . ?
C78 C79 C80 112(5) . . ?
C80 C79 H94 123.8 . . ?
C79 C78 H69 118.3 . . ?
C77 C78 C79 123(6) . . ?
C77 C78 H69 118.3 . . ?
C78 C77 H70 120.2 . . ?
C78 C77 C76 120(6) . . ?
C76 C77 H70 120.1 . . ?
C77 C76 H71 119.2 . . ?
N4 C76 C77 121(5) . . ?
N4 C76 H71 119.3 . . ?
C76 N4 C80 121(4) . . ?
C76 N4 Dy2 120(3) . . ?
C80 N4 Dy2 116(3) . . ?
C81 C80 C79 118(5) . . ?
N4 C80 C81 122(5) . . ?
N4 C80 C79 120(5) . . ?
C99 C31 H182 125.7 . . ?
C99 C31 C30 108(6) . . ?
C30 C31 H182 126.2 . . ?
C31 C99 H99 117.5 . . ?
C27 C99 C31 125(5) . . ?
C27 C99 H99 117.2 . . ?
C99 C27 C26 120(4) . . ?
C28 C27 C99 121(5) . . ?
C28 C27 C26 117(4) . . ?
C27 C28 H98 118.3 . . ?
C27 C28 C29 125(6) . . ?
C29 C28 H98 116.8 . . ?
C28 C29 H180 122.4 . . ?
C30 C29 C28 116(8) . . ?
C30 C29 H180 121.4 . . ?
C31 C30 C32 117(7) . . ?
C29 C30 C31 122(8) . . ?
C29 C30 C32 121(7) . . ?
C48 C49 H33 116.9 . . ?
C48 C49 C50 126(4) . . ?
C50 C49 H33 117.0 . . ?
C49 C48 H34 120.9 . . ?
C49 C48 C47 118(4) . . ?
C47 C48 H34 120.8 . . ?
C48 C47 C52 119(4) . . ?
C48 C47 C46 123(4) . . ?
C52 C47 C46 117(4) . . ?
C47 C52 H31 122.2 . . ?
C51 C52 C47 116(5) . . ?
C51 C52 H31 122.0 . . ?
C52 C51 H30 117.5 . . ?
C50 C51 C52 125(5) . . ?
C50 C51 H30 117.5 . . ?
C49 C50 C53 121(4) . . ?
C51 C50 C49 115(5) . . ?
C51 C50 C53 123(5) . . ?
C60 C59 H45 119.8 . . ?
C60 C59 C58 120(4) . . ?
C58 C59 H45 120.2 . . ?
C59 C60 H46 121.6 . . ?
C61 C60 C59 117(5) . . ?
C61 C60 H46 121.4 . . ?
C60 C61 C62 126(5) . . ?
C60 C61 C64 124(5) . . ?
C62 C61 C64 110(4) . . ?
C61 C62 H88 122.8 . . ?
C63 C62 C61 115(5) . . ?
C63 C62 H88 122.4 . . ?
C62 C63 H50 115.5 . . ?
C58 C63 C62 129(5) . . ?
C58 C63 H50 115.4 . . ?
C63 C58 C59 113(4) . . ?
C57 C58 C59 107(4) . . ?
C57 C58 C63 140(5) . . ?
N3 Dy2 N4 64.2(11) . . ?
O8 Dy2 N3 78.8(10) . . ?
O8 Dy2 N4 77.5(10) . . ?
O7 Dy2 N3 138.6(11) . . ?
O7 Dy2 N4 82.6(10) . . ?
O7 Dy2 O8 70.0(10) . . ?
O7 Dy2 O9 121.1(9) . . ?
O7 Dy2 O10 73.8(10) . . ?
O7 Dy2 O11 142.2(10) . . ?
O7 Dy2 O12 75.0(10) . . ?
O9 Dy2 N3 79.7(10) . . ?
O9 Dy2 N4 141.5(9) . . ?
O9 Dy2 O8 83.0(9) . . ?
O10 Dy2 N3 146.5(11) . . ?
O10 Dy2 N4 145.6(9) . . ?
O10 Dy2 O8 115.9(10) . . ?
O10 Dy2 O9 73.0(9) . . ?
O10 Dy2 O11 81.9(9) . . ?
O11 Dy2 N3 73.1(10) . . ?
O11 Dy2 N4 103.4(9) . . ?
O11 Dy2 O8 147.8(9) . . ?
O11 Dy2 O9 76.9(9) . . ?
O12 Dy2 N3 113.9(11) . . ?
O12 Dy2 N4 72.3(9) . . ?
O12 Dy2 O8 136.0(9) . . ?
O12 Dy2 O9 139.2(8) . . ?
O12 Dy2 O10 77.5(9) . . ?
O12 Dy2 O11 71.6(10) . . ?
C44 O8 Dy2 134(3) . . ?
C46 O7 Dy2 140(3) . . ?
C66 O9 Dy2 133(2) . . ?
C68 O10 Dy2 141(3) . . ?
C57 O11 Dy2 144(3) . . ?
C55 O12 Dy2 133(2) . . ?
O8 C44 C45 129(4) . . ?
O8 C44 C43 110(4) . . ?
C45 C44 C43 121(4) . . ?
C44 C45 H37 118.6 . . ?
C44 C45 C46 123(3) . . ?
C46 C45 H37 118.7 . . ?
O7 C46 C47 117(4) . . ?
O7 C46 C45 121(4) . . ?
C45 C46 C47 122(4) . . ?
F15 C43 F14 102(5) . . ?
F15 C43 F13 117(5) . . ?
F15 C43 C44 116(4) . . ?
F14 C43 C44 107(4) . . ?
F13 C43 F14 103(4) . . ?
F13 C43 C44 110(4) . . ?
O9 C66 C65 115(3) . . ?
O9 C66 C67 126(3) . . ?
C67 C66 C65 119(4) . . ?
C73 C74 H52 118.5 . . ?
C73 C74 C69 123(4) . . ?
C69 C74 H52 118.5 . . ?
C71 C70 H57 120.1 . . ?
C69 C70 H57 120.3 . . ?
C69 C70 C71 120(4) . . ?
C70 C71 H56 118.8 . . ?
C72 C71 C70 122(5) . . ?
C72 C71 H56 118.7 . . ?
C71 C72 C73 119(5) . . ?
C71 C72 C75 123(6) . . ?
C73 C72 C75 118(6) . . ?
C74 C73 C72 118(4) . . ?
C74 C73 H53 120.8 . . ?
C72 C73 H53 120.9 . . ?
O12 C55 C54 117(4) . . ?
O12 C55 C56 129(4) . . ?
C56 C55 C54 114(4) . . ?
C72 C75 H55A 109.5 . . ?
C72 C75 H55B 109.5 . . ?
C72 C75 H55C 109.4 . . ?
H55A C75 H55B 109.5 . . ?
H55A C75 H55C 109.5 . . ?
H55B C75 H55C 109.5 . . ?
F11 C65 F10 102(4) . . ?
F11 C65 C66 115(4) . . ?
F10 C65 C66 108(4) . . ?
F12 C65 F11 111(5) . . ?
F12 C65 F10 106(4) . . ?
F12 C65 C66 113(4) . . ?
F17 C54 F16 108(5) . . ?
F17 C54 C55 115(5) . . ?
F16 C54 C55 106(4) . . ?
F18 C54 F17 114(5) . . ?
F18 C54 F16 105(5) . . ?
F18 C54 C55 107(4) . . ?
C66 C67 H59 117.0 . . ?
C66 C67 C68 126(4) . . ?
C68 C67 H59 117.2 . . ?
O10 C68 C67 118(4) . . ?
O10 C68 C69 122(4) . . ?
C69 C68 C67 119(4) . . ?
N1 Dy1 N2 64.1(9) . . ?
O2 Dy1 N1 80.2(8) . . ?
O2 Dy1 O6 79.5(9) . . ?
O2 Dy1 O5 119.3(10) . . ?
O2 Dy1 O4 139.5(9) . . ?
O2 Dy1 O3 78.6(9) . . ?
O2 Dy1 O1 73.6(8) . . ?
O2 Dy1 N2 140.1(9) . . ?
O6 Dy1 N1 71.0(9) . . ?
O6 Dy1 O5 75.3(10) . . ?
O6 Dy1 O4 140.4(9) . . ?
O6 Dy1 O3 139.5(9) . . ?
O6 Dy1 N2 72.7(9) . . ?
O5 Dy1 N1 136.8(8) . . ?
O5 Dy1 O4 77.3(10) . . ?
O5 Dy1 O3 145.2(9) . . ?
O5 Dy1 N2 80.7(9) . . ?
O4 Dy1 N1 114.1(9) . . ?
O4 Dy1 O3 71.3(9) . . ?
O4 Dy1 N2 75.2(9) . . ?
O3 Dy1 N1 72.0(8) . . ?
O3 Dy1 N2 104.9(9) . . ?
O1 Dy1 N1 145.9(8) . . ?
O1 Dy1 O6 123.5(9) . . ?
O1 Dy1 O5 76.4(9) . . ?
O1 Dy1 O4 75.7(9) . . ?
O1 Dy1 O3 81.6(8) . . ?
O1 Dy1 N2 146.1(9) . . ?
C2 O2 Dy1 132(2) . . ?
C26 O6 Dy1 134(3) . . ?
C24 O5 Dy1 133(3) . . ?
C13 O4 Dy1 131(2) . . ?
C15 O3 Dy1 137(2) . . ?
C24 C25 H18 120.0 . . ?
C24 C25 C26 120(4) . . ?
C26 C25 H18 119.8 . . ?
O5 C24 C25 130(4) . . ?
O5 C24 C23 109(4) . . ?
C25 C24 C23 121(4) . . ?
O2 C2 C1 114(3) . . ?
C3 C2 O2 128(3) . . ?
C3 C2 C1 117(4) . . ?
C4 O1 Dy1 138(2) . . ?
F3 C23 C24 112(4) . . ?
F2 C23 F3 110(6) . . ?
F2 C23 F1 98(5) . . ?
F2 C23 C24 118(6) . . ?
F1 C23 F3 108(6) . . ?
F1 C23 C24 109(5) . . ?
F8 C1 C2 115(5) . . ?
F8 C1 F9 89(4) . . ?
F8 C1 F7 129(6) . . ?
F9 C1 C2 102(4) . . ?
F7 C1 C2 113(5) . . ?
F7 C1 F9 95(5) . . ?
C20 C21 H5 117.6 . . ?
C16 C21 H5 117.6 . . ?
C16 C21 C20 125(4) . . ?
C21 C20 H6 119.7 . . ?
C19 C20 C21 121(4) . . ?
C19 C20 H6 119.7 . . ?
C6 C5 C10 98(3) . . ?
C4 C5 C6 124(5) . . ?
C4 C5 C10 138(5) . . ?
C5 C6 H12 114.9 . . ?
C7 C6 C5 130(4) . . ?
C7 C6 H12 115.0 . . ?
C15 C14 H2 116.3 . . ?
C13 C14 H2 116.4 . . ?
C13 C14 C15 127(3) . . ?
C10 C9 H15 118.7 . . ?
C10 C9 C8 123(4) . . ?
C8 C9 H15 118.7 . . ?
C5 C10 H16 113.4 . . ?
C9 C10 C5 133(4) . . ?
C9 C10 H16 113.5 . . ?
C2 C3 H8 117.6 . . ?
C2 C3 C4 125(3) . . ?
C4 C3 H8 117.6 . . ?
C9 C8 C7 110(4) . . ?
C9 C8 C11 123(4) . . ?
C11 C8 C7 126(4) . . ?
O3 C15 C14 116(3) . . ?
O3 C15 C16 119(3) . . ?
C16 C15 C14 125(3) . . ?
C21 C16 C15 121(4) . . ?
C21 C16 C17 117(5) . . ?
C17 C16 C15 122(4) . . ?
C6 C7 C8 126(4) . . ?
C6 C7 H13 117.2 . . ?
C8 C7 H13 117.1 . . ?
O4 C13 C14 126(4) . . ?
O4 C13 C12 117(4) . . ?
C14 C13 C12 117(4) . . ?
H82A C22 H82B 109.5 . . ?
H82A C22 H82C 109.5 . . ?
H82B C22 H82C 109.5 . . ?
C19 C22 H82A 109.4 . . ?
C19 C22 H82B 109.5 . . ?
C19 C22 H82C 109.5 . . ?
C17 C18 H80 116.3 . . ?
C17 C18 C19 127(5) . . ?
C19 C18 H80 116.2 . . ?
C16 C17 H79 121.7 . . ?
C18 C17 C16 117(5) . . ?
C18 C17 H79 121.7 . . ?
C20 C19 C22 127(5) . . ?
C20 C19 C18 112(4) . . ?
C18 C19 C22 121(5) . . ?
F6 C12 F5 97(5) . . ?
F6 C12 C13 111(5) . . ?
F5 C12 C13 108(4) . . ?
F4 C12 F6 108(5) . . ?
F4 C12 F5 112(6) . . ?
F4 C12 C13 118(4) . . ?
C8 C11 H84A 109.5 . . ?
C8 C11 H84B 109.4 . . ?
C8 C11 H84C 109.5 . . ?
H84A C11 H84B 109.5 . . ?
H84A C11 H84C 109.5 . . ?
H84B C11 H84C 109.5 . . ?
O6 C26 C27 115(4) . . ?
O6 C26 C25 126(4) . . ?
C25 C26 C27 118(4) . . ?
C55 C56 H86 118.2 . . ?
C55 C56 C57 124(3) . . ?
C57 C56 H86 118.0 . . ?
C61 C64 H89A 109.6 . . ?
C61 C64 H89B 109.6 . . ?
C61 C64 H89C 109.2 . . ?
H89A C64 H89B 109.5 . . ?
H89A C64 H89C 109.5 . . ?
H89B C64 H89C 109.5 . . ?
O1 C4 C5 121(5) . . ?
O1 C4 C3 122(3) . . ?
C5 C4 C3 118(4) . . ?
C70 C69 C74 117(4) . . ?
C70 C69 C68 125(4) . . ?
C68 C69 C74 118(4) . . ?
C30 C32 H10A 109.5 . . ?
C30 C32 H10B 110.0 . . ?
C30 C32 H10C 109.4 . . ?
H10A C32 H10B 109.3 . . ?
H10A C32 H10C 109.3 . . ?
H10B C32 H10C 109.3 . . ?
C58 C57 O11 136(5) . . ?
C58 C57 C56 114(4) . . ?
O11 C57 C56 110(3) . . ?
C39 C38 C37 123(4) . . ?
C39 C38 N2 126(4) . . ?
N2 C38 C37 111(3) . . ?
N2 C42 H179 113.9 . . ?
N2 C42 C41 132(4) . . ?
C41 C42 H179 113.9 . . ?
C38 C39 H181 122.6 . . ?
C38 C39 C40 115(5) . . ?
C40 C39 H181 122.6 . . ?
C38 N2 Dy1 124(3) . . ?
C42 N2 Dy1 126(3) . . ?
C42 N2 C38 110(3) . . ?
C42 C41 H183 124.5 . . ?
C40 C41 C42 111(5) . . ?
C40 C41 H183 124.5 . . ?
C39 C40 H184 117.7 . . ?
C41 C40 C39 124(6) . . ?
C41 C40 H184 117.8 . . ?
C50 C53 H18A 109.4 . . ?
C50 C53 H18B 109.5 . . ?
C50 C53 H18C 109.5 . . ?
H18A C53 H18B 109.5 . . ?
H18A C53 H18C 109.5 . . ?
H18B C53 H18C 109.5 . . ?
C85 C84 H0AA 120.3 . . ?
C85 C84 C83 119(5) . . ?
C83 C84 H0AA 120.2 . . ?
C81 C82 H9 117.9 . . ?
C81 C82 C83 124(5) . . ?
C83 C82 H9 117.9 . . ?
C84 C83 C82 114(6) . . ?
C84 C83 H10 122.9 . . ?
C82 C83 H10 122.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C36 C35 C34 C33 0.0 . . . . ?
C36 C37 C38 C39 2(5) . . . . ?
C36 C37 C38 N2 -178(2) . . . . ?
C35 C36 C37 N1 0.0 . . . . ?
C35 C36 C37 C38 -176(3) . . . . ?
C35 C34 C33 N1 0.0 . . . . ?
C34 C33 N1 C37 0.0 . . . . ?
C34 C33 N1 Dy1 -178.4(15) . . . . ?
C33 N1 C37 C36 0.0 . . . . ?
C33 N1 C37 C38 176(3) . . . . ?
N1 C37 C38 C39 -174(3) . . . . ?
N1 C37 C38 N2 6(4) . . . . ?
C37 C36 C35 C34 0.0 . . . . ?
C37 C38 C39 C40 -176(4) . . . . ?
C37 C38 N2 Dy1 -3(4) . . . . ?
C37 C38 N2 C42 174(3) . . . . ?
C81 C82 C83 C84 -6(8) . . . . ?
C85 C84 C83 C82 4(8) . . . . ?
N3 C81 C80 C79 -173(4) . . . . ?
N3 C81 C80 N4 0(7) . . . . ?
N3 C81 C82 C83 8(8) . . . . ?
N3 C85 C84 C83 -6(8) . . . . ?
C79 C78 C77 C76 12(9) . . . . ?
C78 C79 C80 C81 -173(5) . . . . ?
C78 C79 C80 N4 14(7) . . . . ?
C78 C77 C76 N4 3(8) . . . . ?
C77 C76 N4 C80 -8(7) . . . . ?
C77 C76 N4 Dy2 -167(4) . . . . ?
C76 N4 C80 C81 -175(4) . . . . ?
C76 N4 C80 C79 -2(7) . . . . ?
C80 C81 N3 C85 -176(4) . . . . ?
C80 C81 N3 Dy2 15(5) . . . . ?
C80 C81 C82 C83 174(5) . . . . ?
C80 C79 C78 C77 -20(8) . . . . ?
C31 C99 C27 C28 -11(8) . . . . ?
C31 C99 C27 C26 -175(5) . . . . ?
C99 C31 C30 C29 12(11) . . . . ?
C99 C31 C30 C32 -176(6) . . . . ?
C99 C27 C28 C29 21(9) . . . . ?
C99 C27 C26 O6 -162(5) . . . . ?
C99 C27 C26 C25 20(7) . . . . ?
C27 C28 C29 C30 -12(12) . . . . ?
C28 C27 C26 O6 33(6) . . . . ?
C28 C27 C26 C25 -145(5) . . . . ?
C28 C29 C30 C31 -5(13) . . . . ?
C28 C29 C30 C32 -177(6) . . . . ?
C30 C31 C99 C27 -5(8) . . . . ?
C49 C48 C47 C52 -4(7) . . . . ?
C49 C48 C47 C46 -172(4) . . . . ?
C48 C49 C50 C51 12(7) . . . . ?
C48 C49 C50 C53 -178(4) . . . . ?
C48 C47 C52 C51 4(7) . . . . ?
C48 C47 C46 O7 160(4) . . . . ?
C48 C47 C46 C45 -27(6) . . . . ?
C47 C52 C51 C50 5(8) . . . . ?
C52 C47 C46 O7 -7(6) . . . . ?
C52 C47 C46 C45 165(4) . . . . ?
C52 C51 C50 C49 -13(7) . . . . ?
C52 C51 C50 C53 178(5) . . . . ?
C50 C49 C48 C47 -4(7) . . . . ?
C59 C60 C61 C62 -4(9) . . . . ?
C59 C60 C61 C64 179(5) . . . . ?
C59 C58 C57 O11 -18(8) . . . . ?
C59 C58 C57 C56 166(3) . . . . ?
C60 C59 C58 C63 3(6) . . . . ?
C60 C59 C58 C57 179(5) . . . . ?
C60 C61 C62 C63 4(10) . . . . ?
C61 C62 C63 C58 1(10) . . . . ?
C62 C63 C58 C59 -4(8) . . . . ?
C62 C63 C58 C57 -178(7) . . . . ?
C63 C58 C57 O11 156(6) . . . . ?
C63 C58 C57 C56 -20(9) . . . . ?
C58 C59 C60 C61 1(7) . . . . ?
Dy2 N4 C80 C81 -14(6) . . . . ?
Dy2 N4 C80 C79 159(4) . . . . ?
Dy2 O8 C44 C45 -1(7) . . . . ?
Dy2 O8 C44 C43 172(3) . . . . ?
Dy2 O7 C46 C47 -170(3) . . . . ?
Dy2 O7 C46 C45 17(7) . . . . ?
Dy2 O9 C66 C65 -166(3) . . . . ?
Dy2 O9 C66 C67 20(6) . . . . ?
Dy2 O10 C68 C67 -16(7) . . . . ?
Dy2 O10 C68 C69 179(3) . . . . ?
Dy2 O11 C57 C58 155(5) . . . . ?
Dy2 O11 C57 C56 -29(7) . . . . ?
Dy2 O12 C55 C54 -159(3) . . . . ?
Dy2 O12 C55 C56 25(6) . . . . ?
O8 C44 C45 C46 -13(7) . . . . ?
O8 C44 C43 F15 57(6) . . . . ?
O8 C44 C43 F14 -56(5) . . . . ?
O8 C44 C43 F13 -168(4) . . . . ?
O9 C66 C65 F11 167(4) . . . . ?
O9 C66 C65 F10 53(5) . . . . ?
O9 C66 C65 F12 -64(5) . . . . ?
O9 C66 C67 C68 -9(7) . . . . ?
O10 C68 C69 C74 -1(6) . . . . ?
O10 C68 C69 C70 -176(4) . . . . ?
O12 C55 C54 F17 -174(4) . . . . ?
O12 C55 C54 F16 -55(6) . . . . ?
O12 C55 C54 F18 57(6) . . . . ?
O12 C55 C56 C57 -7(7) . . . . ?
C44 C45 C46 C47 -166(4) . . . . ?
C44 C45 C46 O7 6(6) . . . . ?
C45 C44 C43 F15 -130(5) . . . . ?
C45 C44 C43 F14 117(4) . . . . ?
C45 C44 C43 F13 5(6) . . . . ?
C46 C47 C52 C51 172(4) . . . . ?
C43 C44 C45 C46 175(4) . . . . ?
C66 C67 C68 O10 6(7) . . . . ?
C66 C67 C68 C69 171(4) . . . . ?
C70 C71 C72 C73 -4(8) . . . . ?
C70 C71 C72 C75 -177(4) . . . . ?
C71 C70 C69 C74 1(6) . . . . ?
C71 C70 C69 C68 177(4) . . . . ?
C71 C72 C73 C74 1(7) . . . . ?
C73 C74 C69 C70 -5(6) . . . . ?
C73 C74 C69 C68 180(4) . . . . ?
C55 C56 C57 C58 -177(4) . . . . ?
C55 C56 C57 O11 6(6) . . . . ?
C75 C72 C73 C74 175(4) . . . . ?
C65 C66 C67 C68 177(4) . . . . ?
C54 C55 C56 C57 176(4) . . . . ?
C67 C66 C65 F11 -18(6) . . . . ?
C67 C66 C65 F10 -132(4) . . . . ?
C67 C66 C65 F12 111(5) . . . . ?
C67 C68 C69 C74 -166(4) . . . . ?
C67 C68 C69 C70 19(6) . . . . ?
Dy1 N1 C37 C36 178.3(16) . . . . ?
Dy1 N1 C37 C38 -6(3) . . . . ?
Dy1 O2 C2 C1 -160(3) . . . . ?
Dy1 O2 C2 C3 8(6) . . . . ?
Dy1 O6 C26 C27 174(2) . . . . ?
Dy1 O6 C26 C25 -8(7) . . . . ?
Dy1 O5 C24 C25 -3(7) . . . . ?
Dy1 O5 C24 C23 -178(3) . . . . ?
Dy1 O4 C13 C14 25(6) . . . . ?
Dy1 O4 C13 C12 -156(3) . . . . ?
Dy1 O3 C15 C14 -23(5) . . . . ?
Dy1 O3 C15 C16 153(3) . . . . ?
Dy1 O1 C4 C5 168(4) . . . . ?
Dy1 O1 C4 C3 -10(6) . . . . ?
O2 C2 C1 F8 34(6) . . . . ?
O2 C2 C1 F9 -61(5) . . . . ?
O2 C2 C1 F7 -162(5) . . . . ?
O2 C2 C3 C4 1(6) . . . . ?
O5 C24 C23 F3 -174(5) . . . . ?
O5 C24 C23 F2 57(8) . . . . ?
O5 C24 C23 F1 -54(7) . . . . ?
O4 C13 C12 F6 54(6) . . . . ?
O4 C13 C12 F5 -52(6) . . . . ?
O4 C13 C12 F4 -180(5) . . . . ?
O3 C15 C16 C21 -22(6) . . . . ?
O3 C15 C16 C17 162(4) . . . . ?
C25 C24 C23 F3 10(8) . . . . ?
C25 C24 C23 F2 -119(6) . . . . ?
C25 C24 C23 F1 130(5) . . . . ?
C24 C25 C26 C27 -177(4) . . . . ?
C24 C25 C26 O6 6(7) . . . . ?
C2 C3 C4 O1 -1(6) . . . . ?
C2 C3 C4 C5 -179(5) . . . . ?
C1 C2 C3 C4 170(4) . . . . ?
C21 C20 C19 C22 178(4) . . . . ?
C21 C20 C19 C18 4(6) . . . . ?
C21 C16 C17 C18 -6(6) . . . . ?
C20 C21 C16 C15 -177(4) . . . . ?
C20 C21 C16 C17 -1(6) . . . . ?
C5 C6 C7 C8 -3(8) . . . . ?
C6 C5 C10 C9 2(7) . . . . ?
C6 C5 C4 O1 -8(8) . . . . ?
C6 C5 C4 C3 170(4) . . . . ?
C14 C15 C16 C21 153(4) . . . . ?
C14 C15 C16 C17 -23(6) . . . . ?
C14 C13 C12 F6 -127(5) . . . . ?
C14 C13 C12 F5 127(5) . . . . ?
C14 C13 C12 F4 -1(8) . . . . ?
C9 C8 C7 C6 3(6) . . . . ?
C10 C5 C6 C7 0(7) . . . . ?
C10 C5 C4 O1 178(5) . . . . ?
C10 C5 C4 C3 -4(10) . . . . ?
C10 C9 C8 C7 -1(6) . . . . ?
C10 C9 C8 C11 -171(4) . . . . ?
C3 C2 C1 F8 -136(5) . . . . ?
C3 C2 C1 F9 129(4) . . . . ?
C3 C2 C1 F7 28(7) . . . . ?
C8 C9 C10 C5 -2(8) . . . . ?
C15 C14 C13 O4 5(6) . . . . ?
C15 C14 C13 C12 -173(4) . . . . ?
C15 C16 C17 C18 170(4) . . . . ?
C16 C21 C20 C19 2(6) . . . . ?
C13 C14 C15 O3 -7(6) . . . . ?
C13 C14 C15 C16 177(4) . . . . ?
C17 C18 C19 C20 -13(7) . . . . ?
C17 C18 C19 C22 174(5) . . . . ?
C19 C18 C17 C16 14(8) . . . . ?
C11 C8 C7 C6 173(5) . . . . ?
C26 C27 C28 C29 -175(6) . . . . ?
C26 C25 C24 O5 0(7) . . . . ?
C26 C25 C24 C23 174(4) . . . . ?
C56 C55 C54 F17 3(6) . . . . ?
C56 C55 C54 F16 122(5) . . . . ?
C56 C55 C54 F18 -126(4) . . . . ?
C64 C61 C62 C63 -179(5) . . . . ?
C4 C5 C6 C7 -175(5) . . . . ?
C4 C5 C10 C9 177(6) . . . . ?
C69 C74 C73 C72 4(7) . . . . ?
C69 C70 C71 C72 3(7) . . . . ?
C38 C39 C40 C41 -4(8) . . . . ?
C42 C41 C40 C39 6(8) . . . . ?
C39 C38 N2 Dy1 176(4) . . . . ?
C39 C38 N2 C42 -6(6) . . . . ?
N2 C38 C39 C40 4(7) . . . . ?
N2 C42 C41 C40 -10(8) . . . . ?
C41 C42 N2 Dy1 -173(4) . . . . ?
C41 C42 N2 C38 9(7) . . . . ?
C84 C85 N3 C81 8(7) . . . . ?
C84 C85 N3 Dy2 177(4) . . . . ?
C82 C81 N3 C85 -9(6) . . . . ?
C82 C81 N3 Dy2 -178(3) . . . . ?
C82 C81 C80 C79 21(8) . . . . ?
C82 C81 C80 N4 -166(4) . . . . ?

####################################################################### 
# 
# 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_xb8528_0m
_database_code_depnum_ccdc_archive 'CCDC 1518732'
_audit_update_record             
;
2016-11-23 deposited with the CCDC.
2017-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H36 Dy F9 N2 O7'
_chemical_formula_weight         1050.26

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'
Dy Dy -0.1892 4.4098 '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'
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'

_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                   10.8160(11)
_cell_length_b                   10.9937(11)
_cell_length_c                   18.5997(18)
_cell_angle_alpha                80.054(2)
_cell_angle_beta                 86.565(2)
_cell_angle_gamma                84.476(2)
_cell_volume                     2166.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3524
_cell_measurement_theta_min      1.96
_cell_measurement_theta_max      25.10

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1046
_exptl_absorpt_coefficient_mu    1.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_T_max  0.9019
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10866
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.89
_diffrn_reflns_theta_max         25.15
_reflns_number_total             7655
_reflns_number_gt                6965
_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)+(0.0800P)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         7655
_refine_ls_number_parameters     580
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.1150
_refine_ls_wR_factor_gt          0.1052
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_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
Dy1 Dy 0.669885(16) 0.617676(16) 0.260305(10) 0.03391(10) Uani 1 1 d . . .
F2 F 0.3100(3) 0.3917(4) 0.2794(2) 0.0859(12) Uani 1 1 d . . .
F1 F 0.3875(3) 0.2067(4) 0.3097(4) 0.128(2) Uani 1 1 d . . .
F3 F 0.3369(4) 0.3203(5) 0.3892(2) 0.1067(15) Uani 1 1 d . . .
F7 F 1.0508(4) 0.6113(5) 0.0720(3) 0.133(2) Uani 1 1 d . . .
F8 F 1.0783(4) 0.5106(6) 0.1758(3) 0.1220(19) Uani 1 1 d . . .
F9 F 1.0518(4) 0.4211(5) 0.0910(4) 0.133(2) Uani 1 1 d . . .
F4 F 0.5164(5) 0.9626(4) 0.3809(3) 0.1093(16) Uani 1 1 d . . .
F5 F 0.4410(4) 0.8265(4) 0.4560(3) 0.1216(19) Uani 1 1 d . . .
F6 F 0.5943(4) 0.9150(5) 0.4815(3) 0.1183(19) Uani 1 1 d . . .
O2 O 0.5169(3) 0.4851(3) 0.30617(18) 0.0469(8) Uani 1 1 d . . .
O1 O 0.7683(3) 0.4202(3) 0.29148(18) 0.0444(7) Uani 1 1 d . . .
O6 O 0.5850(3) 0.7189(3) 0.35341(17) 0.0424(7) Uani 1 1 d . . .
O5 O 0.8315(3) 0.6383(3) 0.33154(17) 0.0420(7) Uani 1 1 d . . .
N1 N 0.4838(4) 0.7608(4) 0.2114(2) 0.0433(9) Uani 1 1 d . . .
N2 N 0.7074(4) 0.8446(3) 0.2150(2) 0.0433(9) Uani 1 1 d . . .
C2 C 0.6345(4) 0.7705(4) 0.3986(2) 0.0371(10) Uani 1 1 d . . .
C27 C 0.6687(4) 0.4722(4) 0.1175(2) 0.0402(10) Uani 1 1 d . . .
O4 O 0.8430(3) 0.6134(3) 0.17704(18) 0.0471(8) Uani 1 1 d . . .
C15 C 0.7414(4) 0.3130(4) 0.3148(3) 0.0389(10) Uani 1 1 d . . .
C40 C 0.6121(5) 0.9310(4) 0.2004(3) 0.0437(11) Uani 1 1 d . . .
C21 C 1.0659(5) 0.1588(5) 0.3207(4) 0.0668(16) Uani 1 1 d . . .
H21 H 1.1433 0.1764 0.2990 0.080 Uiso 1 1 calc R . .
C32 C 0.4374(5) 0.2557(5) 0.0182(3) 0.0551(13) Uani 1 1 d . . .
O3 O 0.6125(3) 0.5395(3) 0.15946(18) 0.0450(8) Uani 1 1 d . . .
C13 C 0.5172(4) 0.3678(4) 0.3154(3) 0.0438(11) Uani 1 1 d . . .
C5 C 0.9757(4) 0.6599(4) 0.4170(2) 0.0391(10) Uani 1 1 d . . .
C22 C 0.9655(5) 0.2428(5) 0.3035(3) 0.0537(13) Uani 1 1 d . . .
H22 H 0.9762 0.3170 0.2721 0.064 Uiso 1 1 calc R . .
C38 C 0.8458(6) 1.0038(5) 0.2040(3) 0.0643(15) Uani 1 1 d . . .
H38 H 0.9261 1.0256 0.2068 0.077 Uiso 1 1 calc R . .
C24 C 0.8751(5) 0.5343(5) 0.1366(3) 0.0450(11) Uani 1 1 d . . .
C4 C 0.8481(4) 0.6818(4) 0.3871(2) 0.0381(9) Uani 1 1 d . . .
C16 C 0.8489(4) 0.2175(4) 0.3324(3) 0.0390(10) Uani 1 1 d . . .
C26 C 0.7996(5) 0.4647(5) 0.1073(3) 0.0480(11) Uani 1 1 d . . .
H26 H 0.8369 0.4086 0.0788 0.058 Uiso 1 1 calc R . .
C29 C 0.5919(4) 0.3969(4) 0.0809(2) 0.0416(10) Uani 1 1 d . . .
C30 C 0.6373(5) 0.3330(5) 0.0254(3) 0.0526(12) Uani 1 1 d . . .
H30 H 0.7199 0.3366 0.0087 0.063 Uiso 1 1 calc R . .
C41 C 0.4870(5) 0.8843(5) 0.1982(3) 0.0475(11) Uani 1 1 d . . .
C42 C 0.3803(6) 0.9639(6) 0.1838(4) 0.0743(18) Uani 1 1 d . . .
H42 H 0.3841 1.0494 0.1748 0.089 Uiso 1 1 calc R . .
C35 C 0.4682(5) 0.3879(5) 0.1033(3) 0.0573(13) Uani 1 1 d . . .
H35 H 0.4353 0.4308 0.1400 0.069 Uiso 1 1 calc R . .
C7 C 1.1145(5) 0.6306(5) 0.5155(3) 0.0502(12) Uani 1 1 d . . .
H7 H 1.1269 0.6293 0.5647 0.060 Uiso 1 1 calc R . .
C11 C 1.0738(5) 0.6281(5) 0.3710(3) 0.0503(12) Uani 1 1 d . . .
H11 H 1.0602 0.6242 0.3226 0.060 Uiso 1 1 calc R . .
C33 C 0.3541(7) 0.1791(7) -0.0162(4) 0.083(2) Uani 1 1 d . . .
H33A H 0.3249 0.2261 -0.0613 0.124 Uiso 1 1 calc R . .
H33B H 0.2844 0.1589 0.0167 0.124 Uiso 1 1 calc R . .
H33C H 0.4007 0.1042 -0.0255 0.124 Uiso 1 1 calc R . .
C9 C 1.3422(5) 0.5618(6) 0.4977(4) 0.0723(18) Uani 1 1 d . . .
H9A H 1.3599 0.6113 0.5330 0.109 Uiso 1 1 calc R . .
H9B H 1.4017 0.5730 0.4572 0.109 Uiso 1 1 calc R . .
H9C H 1.3470 0.4761 0.5200 0.109 Uiso 1 1 calc R . .
C3 C 0.7537(4) 0.7538(4) 0.4214(3) 0.0416(10) Uani 1 1 d . . .
H3 H 0.7734 0.7904 0.4603 0.050 Uiso 1 1 calc R . .
C23 C 1.0135(5) 0.5211(5) 0.1190(3) 0.0569(13) Uani 1 1 d . . .
C14 C 0.6172(4) 0.2801(4) 0.3220(3) 0.0467(11) Uani 1 1 d . . .
H14 H 0.6029 0.1967 0.3313 0.056 Uiso 1 1 calc R . .
C12 C 0.3893(5) 0.3209(5) 0.3248(3) 0.0569(13) Uani 1 1 d . . .
C44 C 0.2625(5) 0.7879(6) 0.1965(3) 0.0670(16) Uani 1 1 d . . .
H44 H 0.1873 0.7534 0.1964 0.080 Uiso 1 1 calc R . .
C43 C 0.2692(6) 0.9133(7) 0.1832(4) 0.088(2) Uani 1 1 d . . .
H43 H 0.1971 0.9655 0.1736 0.106 Uiso 1 1 calc R . .
C39 C 0.8203(5) 0.8818(5) 0.2165(3) 0.0568(13) Uani 1 1 d . . .
H39 H 0.8861 0.8215 0.2266 0.068 Uiso 1 1 calc R . .
C10 C 1.1932(5) 0.6019(5) 0.3969(3) 0.0519(12) Uani 1 1 d . . .
H10 H 1.2598 0.5849 0.3650 0.062 Uiso 1 1 calc R . .
C34 C 0.3934(5) 0.3199(6) 0.0743(3) 0.0606(14) Uani 1 1 d . . .
H34 H 0.3113 0.3156 0.0920 0.073 Uiso 1 1 calc R . .
C31 C 0.5601(6) 0.2633(6) -0.0054(3) 0.0639(15) Uani 1 1 d . . .
H31 H 0.5921 0.2211 -0.0426 0.077 Uiso 1 1 calc R . .
C17 C 0.8363(5) 0.1063(5) 0.3799(3) 0.0553(13) Uani 1 1 d . . .
H17 H 0.7585 0.0867 0.4002 0.066 Uiso 1 1 calc R . .
C18 C 0.9404(5) 0.0254(5) 0.3966(4) 0.0633(15) Uani 1 1 d . . .
H18 H 0.9309 -0.0489 0.4281 0.076 Uiso 1 1 calc R . .
C6 C 0.9961(5) 0.6625(5) 0.4900(3) 0.0478(11) Uani 1 1 d . . .
H6 H 0.9309 0.6854 0.5212 0.057 Uiso 1 1 calc R . .
C36 C 0.6299(6) 1.0566(5) 0.1836(3) 0.0614(14) Uani 1 1 d . . .
H36 H 0.5640 1.1154 0.1702 0.074 Uiso 1 1 calc R . .
C1 C 0.5450(5) 0.8657(5) 0.4303(3) 0.0526(13) Uani 1 1 d . . .
C8 C 1.2135(5) 0.6012(5) 0.4710(3) 0.0521(12) Uani 1 1 d . . .
C19 C 1.0570(5) 0.0503(5) 0.3685(3) 0.0580(14) Uani 1 1 d . . .
C20 C 1.1704(6) -0.0387(6) 0.3889(5) 0.093(2) Uani 1 1 d . . .
H20A H 1.2216 -0.0030 0.4188 0.140 Uiso 1 1 calc R . .
H20B H 1.2171 -0.0540 0.3454 0.140 Uiso 1 1 calc R . .
H20C H 1.1443 -0.1154 0.4156 0.140 Uiso 1 1 calc R . .
C37 C 0.7496(6) 1.0920(5) 0.1875(3) 0.0655(16) Uani 1 1 d . . .
H37 H 0.7637 1.1755 0.1788 0.079 Uiso 1 1 calc R . .
C45 C 0.3726(5) 0.7146(5) 0.2099(3) 0.0556(13) Uani 1 1 d . . .
H45 H 0.3701 0.6289 0.2184 0.067 Uiso 1 1 calc R . .
O7 O 0.9986(11) 0.1186(9) 0.0148(6) 0.202(4) Uani 1 1 d . . .
C47 C 1.0634(8) 0.0186(7) 0.0586(4) 0.0680(19) Uani 1 1 d . . .
H47A H 1.1342 0.0479 0.0780 0.082 Uiso 1 1 calc R . .
H47B H 1.0092 -0.0135 0.0996 0.082 Uiso 1 1 calc R . .
C46 C 0.9007(11) 0.0641(18) -0.0252(9) 0.215(9) Uani 1 1 d . . .
H46A H 0.8373 0.0337 0.0108 0.258 Uiso 1 1 calc R . .
H46B H 0.8607 0.1313 -0.0591 0.258 Uiso 1 1 calc R . .


_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 O5 2.307(3) . ?
Dy1 O6 2.315(3) . ?
Dy1 O1 2.319(3) . ?
Dy1 O3 2.333(3) . ?
Dy1 O2 2.336(3) . ?
Dy1 O4 2.359(3) . ?
Dy1 N1 2.544(4) . ?
Dy1 N2 2.554(4) . ?
F2 C12 1.337(7) . ?
F1 C12 1.335(7) . ?
F3 C12 1.292(7) . ?
F7 C23 1.283(7) . ?
F8 C23 1.285(7) . ?
F9 C23 1.316(7) . ?
F4 C1 1.307(6) . ?
F5 C1 1.279(7) . ?
F6 C1 1.335(7) . ?
O2 C13 1.270(6) . ?
O1 C15 1.239(5) . ?
O6 C2 1.262(5) . ?
O5 C4 1.242(5) . ?
N1 C41 1.341(6) . ?
N1 C45 1.353(6) . ?
N2 C39 1.328(7) . ?
N2 C40 1.340(6) . ?
C2 C3 1.367(7) . ?
C2 C1 1.526(6) . ?
C27 O3 1.259(6) . ?
C27 C26 1.414(7) . ?
C27 C29 1.493(7) . ?
O4 C24 1.257(6) . ?
C15 C14 1.417(6) . ?
C15 C16 1.502(6) . ?
C40 C36 1.392(7) . ?
C40 C41 1.498(7) . ?
C21 C19 1.366(8) . ?
C21 C22 1.372(7) . ?
C21 H21 0.9300 . ?
C32 C31 1.379(8) . ?
C32 C34 1.395(8) . ?
C32 C33 1.526(7) . ?
C13 C14 1.374(7) . ?
C13 C12 1.513(7) . ?
C5 C11 1.380(7) . ?
C5 C6 1.395(6) . ?
C5 C4 1.500(6) . ?
C22 C16 1.375(7) . ?
C22 H22 0.9300 . ?
C38 C37 1.363(9) . ?
C38 C39 1.373(8) . ?
C38 H38 0.9300 . ?
C24 C26 1.365(7) . ?
C24 C23 1.512(7) . ?
C4 C3 1.420(6) . ?
C16 C17 1.393(7) . ?
C26 H26 0.9300 . ?
C29 C35 1.385(7) . ?
C29 C30 1.387(7) . ?
C30 C31 1.395(7) . ?
C30 H30 0.9300 . ?
C41 C42 1.390(7) . ?
C42 C43 1.373(10) . ?
C42 H42 0.9300 . ?
C35 C34 1.346(8) . ?
C35 H35 0.9300 . ?
C7 C8 1.362(8) . ?
C7 C6 1.385(7) . ?
C7 H7 0.9300 . ?
C11 C10 1.391(7) . ?
C11 H11 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C9 C8 1.504(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C3 H3 0.9300 . ?
C14 H14 0.9300 . ?
C44 C43 1.366(10) . ?
C44 C45 1.383(7) . ?
C44 H44 0.9300 . ?
C43 H43 0.9300 . ?
C39 H39 0.9300 . ?
C10 C8 1.408(7) . ?
C10 H10 0.9300 . ?
C34 H34 0.9300 . ?
C31 H31 0.9300 . ?
C17 C18 1.382(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.370(8) . ?
C18 H18 0.9300 . ?
C6 H6 0.9300 . ?
C36 C37 1.396(9) . ?
C36 H36 0.9300 . ?
C19 C20 1.518(7) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C37 H37 0.9300 . ?
C45 H45 0.9300 . ?
O7 C47 1.405(11) . ?
O7 C46 1.551(17) . ?
C47 C46 1.21(2) 2_755 ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C46 C47 1.21(2) 2_755 ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Dy1 O6 73.26(10) . . ?
O5 Dy1 O1 74.08(11) . . ?
O6 Dy1 O1 118.28(11) . . ?
O5 Dy1 O3 145.59(11) . . ?
O6 Dy1 O3 141.11(11) . . ?
O1 Dy1 O3 83.26(11) . . ?
O5 Dy1 O2 120.27(11) . . ?
O6 Dy1 O2 81.12(11) . . ?
O1 Dy1 O2 72.54(11) . . ?
O3 Dy1 O2 75.07(12) . . ?
O5 Dy1 O4 77.71(11) . . ?
O6 Dy1 O4 141.62(11) . . ?
O1 Dy1 O4 75.78(11) . . ?
O3 Dy1 O4 71.75(11) . . ?
O2 Dy1 O4 136.13(11) . . ?
O5 Dy1 N1 134.04(11) . . ?
O6 Dy1 N1 72.13(11) . . ?
O1 Dy1 N1 150.50(12) . . ?
O3 Dy1 N1 74.74(12) . . ?
O2 Dy1 N1 82.83(12) . . ?
O4 Dy1 N1 114.31(12) . . ?
O5 Dy1 N2 79.56(12) . . ?
O6 Dy1 N2 75.90(12) . . ?
O1 Dy1 N2 143.73(12) . . ?
O3 Dy1 N2 106.53(12) . . ?
O2 Dy1 N2 143.50(12) . . ?
O4 Dy1 N2 74.59(12) . . ?
N1 Dy1 N2 63.38(13) . . ?
C13 O2 Dy1 131.7(3) . . ?
C15 O1 Dy1 139.2(3) . . ?
C2 O6 Dy1 131.7(3) . . ?
C4 O5 Dy1 138.6(3) . . ?
C41 N1 C45 118.0(4) . . ?
C41 N1 Dy1 121.4(3) . . ?
C45 N1 Dy1 119.7(3) . . ?
C39 N2 C40 118.2(4) . . ?
C39 N2 Dy1 119.9(3) . . ?
C40 N2 Dy1 121.0(3) . . ?
O6 C2 C3 129.5(4) . . ?
O6 C2 C1 112.9(4) . . ?
C3 C2 C1 117.5(4) . . ?
O3 C27 C26 121.3(4) . . ?
O3 C27 C29 117.3(4) . . ?
C26 C27 C29 121.3(4) . . ?
C24 O4 Dy1 127.9(3) . . ?
O1 C15 C14 122.6(4) . . ?
O1 C15 C16 116.0(4) . . ?
C14 C15 C16 121.3(4) . . ?
N2 C40 C36 121.7(5) . . ?
N2 C40 C41 116.2(4) . . ?
C36 C40 C41 122.0(5) . . ?
C19 C21 C22 122.7(5) . . ?
C19 C21 H21 118.6 . . ?
C22 C21 H21 118.6 . . ?
C31 C32 C34 117.5(5) . . ?
C31 C32 C33 120.6(5) . . ?
C34 C32 C33 121.8(6) . . ?
C27 O3 Dy1 133.9(3) . . ?
O2 C13 C14 128.6(4) . . ?
O2 C13 C12 114.4(4) . . ?
C14 C13 C12 116.9(4) . . ?
C11 C5 C6 119.7(4) . . ?
C11 C5 C4 118.0(4) . . ?
C6 C5 C4 122.2(4) . . ?
C21 C22 C16 120.1(5) . . ?
C21 C22 H22 119.9 . . ?
C16 C22 H22 119.9 . . ?
C37 C38 C39 117.9(6) . . ?
C37 C38 H38 121.0 . . ?
C39 C38 H38 121.0 . . ?
O4 C24 C26 127.3(5) . . ?
O4 C24 C23 113.4(4) . . ?
C26 C24 C23 119.2(5) . . ?
O5 C4 C3 123.0(4) . . ?
O5 C4 C5 117.5(4) . . ?
C3 C4 C5 119.5(4) . . ?
C22 C16 C17 118.5(4) . . ?
C22 C16 C15 119.1(4) . . ?
C17 C16 C15 122.4(4) . . ?
C24 C26 C27 124.5(5) . . ?
C24 C26 H26 117.8 . . ?
C27 C26 H26 117.8 . . ?
C35 C29 C30 116.9(5) . . ?
C35 C29 C27 119.2(4) . . ?
C30 C29 C27 123.9(4) . . ?
C29 C30 C31 120.5(5) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
N1 C41 C42 121.8(5) . . ?
N1 C41 C40 116.0(4) . . ?
C42 C41 C40 122.2(5) . . ?
C43 C42 C41 118.4(6) . . ?
C43 C42 H42 120.8 . . ?
C41 C42 H42 120.8 . . ?
C34 C35 C29 123.0(5) . . ?
C34 C35 H35 118.5 . . ?
C29 C35 H35 118.5 . . ?
C8 C7 C6 122.2(5) . . ?
C8 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C5 C11 C10 120.2(5) . . ?
C5 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C3 C4 121.5(4) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
F7 C23 F8 107.8(6) . . ?
F7 C23 F9 104.7(6) . . ?
F8 C23 F9 103.6(6) . . ?
F7 C23 C24 113.2(5) . . ?
F8 C23 C24 112.9(5) . . ?
F9 C23 C24 113.9(5) . . ?
C13 C14 C15 122.0(4) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
F3 C12 F1 106.8(5) . . ?
F3 C12 F2 104.9(5) . . ?
F1 C12 F2 105.0(5) . . ?
F3 C12 C13 114.6(5) . . ?
F1 C12 C13 113.4(4) . . ?
F2 C12 C13 111.3(4) . . ?
C43 C44 C45 117.0(6) . . ?
C43 C44 H44 121.5 . . ?
C45 C44 H44 121.5 . . ?
C44 C43 C42 121.4(6) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
N2 C39 C38 124.1(5) . . ?
N2 C39 H39 118.0 . . ?
C38 C39 H39 118.0 . . ?
C11 C10 C8 120.2(5) . . ?
C11 C10 H10 119.9 . . ?
C8 C10 H10 119.9 . . ?
C35 C34 C32 120.8(5) . . ?
C35 C34 H34 119.6 . . ?
C32 C34 H34 119.6 . . ?
C32 C31 C30 121.3(5) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C18 C17 C16 119.3(5) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C19 C18 C17 122.6(5) . . ?
C19 C18 H18 118.7 . . ?
C17 C18 H18 118.7 . . ?
C7 C6 C5 119.3(5) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C40 C36 C37 118.1(5) . . ?
C40 C36 H36 120.9 . . ?
C37 C36 H36 120.9 . . ?
F5 C1 F4 105.4(5) . . ?
F5 C1 F6 108.2(5) . . ?
F4 C1 F6 102.6(5) . . ?
F5 C1 C2 114.9(5) . . ?
F4 C1 C2 111.4(4) . . ?
F6 C1 C2 113.3(4) . . ?
C7 C8 C10 118.3(4) . . ?
C7 C8 C9 123.4(5) . . ?
C10 C8 C9 118.3(5) . . ?
C21 C19 C18 116.7(5) . . ?
C21 C19 C20 121.7(5) . . ?
C18 C19 C20 121.6(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C38 C37 C36 119.8(5) . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
N1 C45 C44 123.5(5) . . ?
N1 C45 H45 118.3 . . ?
C44 C45 H45 118.3 . . ?
C47 O7 C46 107.2(9) . . ?
C46 C47 O7 112.3(9) 2_755 . ?
C46 C47 H47A 109.1 2_755 . ?
O7 C47 H47A 109.1 . . ?
C46 C47 H47B 109.1 2_755 . ?
O7 C47 H47B 109.1 . . ?
H47A C47 H47B 107.9 . . ?
C47 C46 O7 117.6(12) 2_755 . ?
C47 C46 H46A 107.9 2_755 . ?
O7 C46 H46A 107.9 . . ?
C47 C46 H46B 107.9 2_755 . ?
O7 C46 H46B 107.9 . . ?
H46A C46 H46B 107.2 . . ?

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
O5 Dy1 O2 C13 -76.6(4) . . . . ?
O6 Dy1 O2 C13 -141.2(4) . . . . ?
O1 Dy1 O2 C13 -17.7(4) . . . . ?
O3 Dy1 O2 C13 69.8(4) . . . . ?
O4 Dy1 O2 C13 28.0(5) . . . . ?
N1 Dy1 O2 C13 145.9(4) . . . . ?
N2 Dy1 O2 C13 167.6(4) . . . . ?
O5 Dy1 O1 C15 133.3(5) . . . . ?
O6 Dy1 O1 C15 72.8(5) . . . . ?
O3 Dy1 O1 C15 -72.9(5) . . . . ?
O2 Dy1 O1 C15 3.5(5) . . . . ?
O4 Dy1 O1 C15 -145.7(5) . . . . ?
N1 Dy1 O1 C15 -31.2(6) . . . . ?
N2 Dy1 O1 C15 178.2(4) . . . . ?
O5 Dy1 O6 C2 13.8(4) . . . . ?
O1 Dy1 O6 C2 74.7(4) . . . . ?
O3 Dy1 O6 C2 -168.3(3) . . . . ?
O2 Dy1 O6 C2 139.3(4) . . . . ?
O4 Dy1 O6 C2 -28.6(5) . . . . ?
N1 Dy1 O6 C2 -135.5(4) . . . . ?
N2 Dy1 O6 C2 -69.3(4) . . . . ?
O6 Dy1 O5 C4 0.0(4) . . . . ?
O1 Dy1 O5 C4 -126.9(5) . . . . ?
O3 Dy1 O5 C4 -177.7(4) . . . . ?
O2 Dy1 O5 C4 -68.8(5) . . . . ?
O4 Dy1 O5 C4 154.6(5) . . . . ?
N1 Dy1 O5 C4 42.6(5) . . . . ?
N2 Dy1 O5 C4 78.3(4) . . . . ?
O5 Dy1 N1 C41 28.2(4) . . . . ?
O6 Dy1 N1 C41 71.1(3) . . . . ?
O1 Dy1 N1 C41 -172.7(3) . . . . ?
O3 Dy1 N1 C41 -129.5(4) . . . . ?
O2 Dy1 N1 C41 154.1(4) . . . . ?
O4 Dy1 N1 C41 -68.2(4) . . . . ?
N2 Dy1 N1 C41 -11.7(3) . . . . ?
O5 Dy1 N1 C45 -140.6(3) . . . . ?
O6 Dy1 N1 C45 -97.7(4) . . . . ?
O1 Dy1 N1 C45 18.4(5) . . . . ?
O3 Dy1 N1 C45 61.6(4) . . . . ?
O2 Dy1 N1 C45 -14.8(4) . . . . ?
O4 Dy1 N1 C45 123.0(4) . . . . ?
N2 Dy1 N1 C45 179.4(4) . . . . ?
O5 Dy1 N2 C39 29.3(4) . . . . ?
O6 Dy1 N2 C39 104.5(4) . . . . ?
O1 Dy1 N2 C39 -14.4(5) . . . . ?
O3 Dy1 N2 C39 -115.8(4) . . . . ?
O2 Dy1 N2 C39 157.1(4) . . . . ?
O4 Dy1 N2 C39 -50.7(4) . . . . ?
N1 Dy1 N2 C39 -178.7(4) . . . . ?
O5 Dy1 N2 C40 -140.2(4) . . . . ?
O6 Dy1 N2 C40 -65.0(3) . . . . ?
O1 Dy1 N2 C40 176.1(3) . . . . ?
O3 Dy1 N2 C40 74.7(3) . . . . ?
O2 Dy1 N2 C40 -12.4(4) . . . . ?
O4 Dy1 N2 C40 139.8(4) . . . . ?
N1 Dy1 N2 C40 11.8(3) . . . . ?
Dy1 O6 C2 C3 -21.1(7) . . . . ?
Dy1 O6 C2 C1 158.1(3) . . . . ?
O5 Dy1 O4 C24 128.2(4) . . . . ?
O6 Dy1 O4 C24 169.6(3) . . . . ?
O1 Dy1 O4 C24 51.8(4) . . . . ?
O3 Dy1 O4 C24 -35.7(4) . . . . ?
O2 Dy1 O4 C24 7.0(5) . . . . ?
N1 Dy1 O4 C24 -98.8(4) . . . . ?
N2 Dy1 O4 C24 -149.4(4) . . . . ?
Dy1 O1 C15 C14 8.2(8) . . . . ?
Dy1 O1 C15 C16 -174.3(3) . . . . ?
C39 N2 C40 C36 3.0(7) . . . . ?
Dy1 N2 C40 C36 172.7(4) . . . . ?
C39 N2 C40 C41 179.1(5) . . . . ?
Dy1 N2 C40 C41 -11.3(5) . . . . ?
C26 C27 O3 Dy1 -24.1(7) . . . . ?
C29 C27 O3 Dy1 153.7(3) . . . . ?
O5 Dy1 O3 C27 6.5(5) . . . . ?
O6 Dy1 O3 C27 -169.9(4) . . . . ?
O1 Dy1 O3 C27 -42.1(4) . . . . ?
O2 Dy1 O3 C27 -115.7(4) . . . . ?
O4 Dy1 O3 C27 35.1(4) . . . . ?
N1 Dy1 O3 C27 157.8(5) . . . . ?
N2 Dy1 O3 C27 102.2(4) . . . . ?
Dy1 O2 C13 C14 21.8(8) . . . . ?
Dy1 O2 C13 C12 -162.3(3) . . . . ?
C19 C21 C22 C16 -2.5(10) . . . . ?
Dy1 O4 C24 C26 29.6(7) . . . . ?
Dy1 O4 C24 C23 -151.9(3) . . . . ?
Dy1 O5 C4 C3 -8.1(7) . . . . ?
Dy1 O5 C4 C5 174.0(3) . . . . ?
C11 C5 C4 O5 19.5(6) . . . . ?
C6 C5 C4 O5 -156.2(4) . . . . ?
C11 C5 C4 C3 -158.5(5) . . . . ?
C6 C5 C4 C3 25.9(6) . . . . ?
C21 C22 C16 C17 0.9(8) . . . . ?
C21 C22 C16 C15 177.8(5) . . . . ?
O1 C15 C16 C22 -18.4(7) . . . . ?
C14 C15 C16 C22 159.2(5) . . . . ?
O1 C15 C16 C17 158.4(5) . . . . ?
C14 C15 C16 C17 -24.0(7) . . . . ?
O4 C24 C26 C27 0.9(9) . . . . ?
C23 C24 C26 C27 -177.5(5) . . . . ?
O3 C27 C26 C24 -5.0(8) . . . . ?
C29 C27 C26 C24 177.3(5) . . . . ?
O3 C27 C29 C35 -10.6(7) . . . . ?
C26 C27 C29 C35 167.2(5) . . . . ?
O3 C27 C29 C30 170.1(5) . . . . ?
C26 C27 C29 C30 -12.1(7) . . . . ?
C35 C29 C30 C31 -0.1(8) . . . . ?
C27 C29 C30 C31 179.2(5) . . . . ?
C45 N1 C41 C42 0.4(8) . . . . ?
Dy1 N1 C41 C42 -168.6(4) . . . . ?
C45 N1 C41 C40 -180.0(4) . . . . ?
Dy1 N1 C41 C40 11.0(5) . . . . ?
N2 C40 C41 N1 0.3(6) . . . . ?
C36 C40 C41 N1 176.3(5) . . . . ?
N2 C40 C41 C42 179.8(5) . . . . ?
C36 C40 C41 C42 -4.1(8) . . . . ?
N1 C41 C42 C43 -0.1(10) . . . . ?
C40 C41 C42 C43 -179.6(6) . . . . ?
C30 C29 C35 C34 0.8(8) . . . . ?
C27 C29 C35 C34 -178.5(5) . . . . ?
C6 C5 C11 C10 -1.7(7) . . . . ?
C4 C5 C11 C10 -177.4(4) . . . . ?
O6 C2 C3 C4 8.9(8) . . . . ?
C1 C2 C3 C4 -170.3(4) . . . . ?
O5 C4 C3 C2 5.8(7) . . . . ?
C5 C4 C3 C2 -176.4(4) . . . . ?
O4 C24 C23 F7 -75.0(7) . . . . ?
C26 C24 C23 F7 103.6(7) . . . . ?
O4 C24 C23 F8 47.8(7) . . . . ?
C26 C24 C23 F8 -133.6(6) . . . . ?
O4 C24 C23 F9 165.6(5) . . . . ?
C26 C24 C23 F9 -15.8(8) . . . . ?
O2 C13 C14 C15 -3.6(9) . . . . ?
C12 C13 C14 C15 -179.5(5) . . . . ?
O1 C15 C14 C13 -11.3(8) . . . . ?
C16 C15 C14 C13 171.3(5) . . . . ?
O2 C13 C12 F3 -78.5(6) . . . . ?
C14 C13 C12 F3 98.0(6) . . . . ?
O2 C13 C12 F1 158.5(5) . . . . ?
C14 C13 C12 F1 -25.1(8) . . . . ?
O2 C13 C12 F2 40.3(7) . . . . ?
C14 C13 C12 F2 -143.2(5) . . . . ?
C45 C44 C43 C42 -0.5(11) . . . . ?
C41 C42 C43 C44 0.1(11) . . . . ?
C40 N2 C39 C38 0.1(9) . . . . ?
Dy1 N2 C39 C38 -169.7(5) . . . . ?
C37 C38 C39 N2 -1.6(10) . . . . ?
C5 C11 C10 C8 3.4(8) . . . . ?
C29 C35 C34 C32 -1.3(9) . . . . ?
C31 C32 C34 C35 1.0(9) . . . . ?
C33 C32 C34 C35 -179.3(6) . . . . ?
C34 C32 C31 C30 -0.3(9) . . . . ?
C33 C32 C31 C30 180.0(6) . . . . ?
C29 C30 C31 C32 -0.1(9) . . . . ?
C22 C16 C17 C18 0.1(8) . . . . ?
C15 C16 C17 C18 -176.7(5) . . . . ?
C16 C17 C18 C19 0.4(10) . . . . ?
C8 C7 C6 C5 2.6(8) . . . . ?
C11 C5 C6 C7 -1.3(7) . . . . ?
C4 C5 C6 C7 174.3(4) . . . . ?
N2 C40 C36 C37 -4.5(8) . . . . ?
C41 C40 C36 C37 179.7(5) . . . . ?
O6 C2 C1 F5 50.9(7) . . . . ?
C3 C2 C1 F5 -129.8(6) . . . . ?
O6 C2 C1 F4 -68.9(6) . . . . ?
C3 C2 C1 F4 110.5(6) . . . . ?
O6 C2 C1 F6 176.1(5) . . . . ?
C3 C2 C1 F6 -4.6(7) . . . . ?
C6 C7 C8 C10 -0.8(8) . . . . ?
C6 C7 C8 C9 -177.7(5) . . . . ?
C11 C10 C8 C7 -2.2(8) . . . . ?
C11 C10 C8 C9 174.9(5) . . . . ?
C22 C21 C19 C18 3.0(10) . . . . ?
C22 C21 C19 C20 -177.5(7) . . . . ?
C17 C18 C19 C21 -1.9(10) . . . . ?
C17 C18 C19 C20 178.6(6) . . . . ?
C39 C38 C37 C36 -0.1(9) . . . . ?
C40 C36 C37 C38 2.9(9) . . . . ?
C41 N1 C45 C44 -0.9(8) . . . . ?
Dy1 N1 C45 C44 168.4(4) . . . . ?
C43 C44 C45 N1 0.9(9) . . . . ?
C46 O7 C47 C46 49.4(18) . . . 2_755 ?
C47 O7 C46 C47 -52.5(18) . . . 2_755 ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.15
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.047
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.107
####################################################################### 
# 
# 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_xb8569_0m
_database_code_depnum_ccdc_archive 'CCDC 1445984'
_audit_update_record             
;
2016-01-07 deposited with the CCDC.
2017-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H23 Dy F12 N2 O6'
_chemical_formula_weight         1042.12

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'
Dy Dy -0.1892 4.4098 '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'

_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                   10.273(2)
_cell_length_b                   13.625(3)
_cell_length_c                   15.204(3)
_cell_angle_alpha                83.405(4)
_cell_angle_beta                 87.777(4)
_cell_angle_gamma                76.586(4)
_cell_volume                     2056.1(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3524
_cell_measurement_theta_min      1.96
_cell_measurement_theta_max      25.10

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1022
_exptl_absorpt_coefficient_mu    1.921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_T_max  0.9019
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11263
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0932
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         26.24
_reflns_number_total             8042
_reflns_number_gt                3261
_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)+(0.0700P)²+0.3675P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0007(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8042
_refine_ls_number_parameters     557
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1739
_refine_ls_R_factor_gt           0.0637
_refine_ls_wR_factor_ref         0.1905
_refine_ls_wR_factor_gt          0.1391
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.006

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
C122 C 0.8003(15) 0.3027(9) 0.4216(9) 0.323(16) Uani 1 1 d G . .
H122 H 0.8232 0.2560 0.4713 0.388 Uiso 1 1 calc R . .
C123 C 0.8929(10) 0.3082(9) 0.3531(12) 0.43(3) Uani 1 1 d G . .
C125 C 0.8587(10) 0.3780(11) 0.2788(9) 0.269(14) Uani 1 1 d G . .
H125 H 0.9206 0.3817 0.2330 0.323 Uiso 1 1 calc R . .
C25 C 0.7319(11) 0.4423(9) 0.2730(7) 0.201(8) Uani 1 1 d G . .
H25 H 0.7091 0.4890 0.2233 0.241 Uiso 1 1 calc R . .
C34 C 0.6394(8) 0.4368(8) 0.3415(8) 0.153(5) Uani 1 1 d G . .
C51 C 0.6736(13) 0.3670(10) 0.4158(8) 0.199(8) Uani 1 1 d G . .
H51 H 0.6116 0.3633 0.4616 0.239 Uiso 1 1 calc R . .
Dy1 Dy 0.36598(5) 0.74355(4) 0.24367(3) 0.1174(3) Uani 1 1 d . . .
F2 F -0.0129(8) 0.7290(9) 0.0536(6) 0.231(5) Uani 1 1 d . . .
F5 F 0.1844(9) 0.4595(10) 0.4876(9) 0.248(6) Uani 1 1 d . . .
F3 F 0.0650(10) 0.5932(8) 0.4389(8) 0.263(6) Uani 1 1 d . . .
F1 F 0.0304(13) 0.8665(12) 0.0075(9) 0.254(7) Uani 1 1 d . . .
F4 F 0.0938(16) 0.4735(16) 0.3633(14) 0.318(13) Uani 1 1 d . . .
F6 F 0.0785(10) 0.7395(13) -0.0700(8) 0.300(7) Uani 1 1 d . . .
O5 O 0.1809(6) 0.8589(5) 0.2899(5) 0.106(2) Uani 1 1 d . . .
O4 O 0.2395(7) 0.6387(6) 0.3193(6) 0.127(3) Uani 1 1 d . . .
O6 O 0.4155(6) 0.7852(6) 0.3790(5) 0.112(2) Uani 1 1 d . . .
O2 O 0.2071(8) 0.7574(6) 0.1370(5) 0.141(3) Uani 1 1 d . . .
O3 O 0.5043(6) 0.5887(6) 0.2842(5) 0.125(2) Uani 1 1 d . . .
N2 N 0.3837(12) 0.9145(9) 0.1619(6) 0.144(4) Uani 1 1 d . . .
O1 O 0.4782(8) 0.6835(8) 0.1172(7) 0.165(3) Uani 1 1 d . . .
C9 C 0.5110(12) 0.5070(9) 0.3341(8) 0.112(4) Uani 1 1 d . . .
C10 C 0.3707(12) 0.8520(9) 0.4310(8) 0.097(3) Uani 1 1 d . . .
C11 C 0.754(2) 0.9912(17) 0.1391(9) 0.206(9) Uani 1 1 d . . .
H11 H 0.8357 1.0093 0.1341 0.247 Uiso 1 1 calc R . .
N1 N 0.6045(11) 0.7798(10) 0.2350(6) 0.146(4) Uani 1 1 d . . .
C13 C 0.5045(16) 0.9409(12) 0.1548(7) 0.152(6) Uani 1 1 d . . .
C14 C 0.1622(11) 0.9158(9) 0.3526(8) 0.097(3) Uani 1 1 d . . .
C15 C 0.4570(14) 0.8535(10) 0.5061(9) 0.117(4) Uani 1 1 d . . .
F8 F 0.0097(7) 1.0566(6) 0.4049(5) 0.166(3) Uani 1 1 d . . .
C17 C 0.4501(19) 0.6698(11) 0.0397(12) 0.170(6) Uani 1 1 d . . .
C18 C 0.3224(16) 0.6906(11) 0.0079(9) 0.159(6) Uani 1 1 d . . .
H18 H 0.3092 0.6752 -0.0486 0.191 Uiso 1 1 calc R . .
C19 C 0.5891(16) 0.7988(10) 0.5069(10) 0.142(4) Uani 1 1 d . . .
H19 H 0.6229 0.7610 0.4605 0.170 Uiso 1 1 calc R . .
C20 C 0.2147(14) 0.7331(11) 0.0564(10) 0.146(5) Uani 1 1 d . . .
C21 C 0.3932(12) 0.4887(9) 0.3774(9) 0.144(5) Uani 1 1 d . . .
H21 H 0.3986 0.4286 0.4142 0.173 Uiso 1 1 calc R . .
C22 C 0.077(2) 0.765(2) 0.0133(12) 0.193(9) Uani 1 1 d . . .
F12 F 0.6970(10) 0.8601(8) 0.7154(7) 0.238(5) Uani 1 1 d . . .
C24 C 0.2722(13) 0.5555(11) 0.3674(9) 0.136(5) Uani 1 1 d . . .
F9 F -0.0054(9) 1.0368(7) 0.2729(6) 0.201(4) Uani 1 1 d . . .
C27 C 0.5710(15) 0.6243(11) -0.0183(10) 0.161(6) Uani 1 1 d . . .
C29 C 0.7483(18) 0.8935(16) 0.1844(8) 0.165(7) Uani 1 1 d . . .
C30 C 0.2794(17) 0.9791(13) 0.1283(8) 0.167(7) Uani 1 1 d . . .
H30 H 0.1970 0.9615 0.1337 0.200 Uiso 1 1 calc R . .
C31 C 0.8404(15) 0.7363(14) 0.2651(11) 0.203(8) Uani 1 1 d . . .
H31 H 0.9140 0.6893 0.2899 0.243 Uiso 1 1 calc R . .
C33 C 0.7082(16) 0.7166(14) 0.2720(11) 0.183(7) Uani 1 1 d . . .
H33 H 0.6965 0.6568 0.3039 0.220 Uiso 1 1 calc R . .
C35 C 0.5187(18) 1.0315(14) 0.1133(8) 0.183(7) Uani 1 1 d . . .
C36 C 0.649(2) 1.0552(17) 0.1049(10) 0.224(11) Uani 1 1 d . . .
H36 H 0.6583 1.1167 0.0748 0.269 Uiso 1 1 calc R . .
C37 C 0.4096(14) 0.9053(11) 0.5762(11) 0.150(5) Uani 1 1 d . . .
H37 H 0.3205 0.9407 0.5753 0.180 Uiso 1 1 calc R . .
C38 C 0.2469(13) 0.9179(9) 0.4173(7) 0.117(3) Uani 1 1 d . . .
H38 H 0.2203 0.9674 0.4558 0.141 Uiso 1 1 calc R . .
C39 C 0.6936(16) 0.6155(11) 0.0166(11) 0.183(7) Uani 1 1 d . . .
H39 H 0.6992 0.6345 0.0730 0.220 Uiso 1 1 calc R . .
C41 C 0.487(2) 0.9091(13) 0.6519(11) 0.180(6) Uani 1 1 d . . .
H41 H 0.4536 0.9440 0.7000 0.216 Uiso 1 1 calc R . .
F7 F -0.0703(8) 0.9388(7) 0.3758(6) 0.185(3) Uani 1 1 d . . .
C45 C 0.143(2) 0.5162(16) 0.404(2) 0.200(10) Uani 1 1 d . . .
C47 C 0.6185(15) 0.8700(13) 0.1932(7) 0.147(5) Uani 1 1 d . . .
C54 C 0.810(2) 0.5791(16) -0.0297(14) 0.249(12) Uani 1 1 d . . .
H54 H 0.8941 0.5761 -0.0074 0.298 Uiso 1 1 calc R . .
C48 C 0.406(2) 1.1003(16) 0.0779(10) 0.256(12) Uani 1 1 d . . .
H48 H 0.4121 1.1635 0.0501 0.307 Uiso 1 1 calc R . .
C55 C 0.5594(17) 0.5938(13) -0.0952(12) 0.208(8) Uani 1 1 d . . .
H55 H 0.4748 0.5964 -0.1164 0.250 Uiso 1 1 calc R . .
C49 C 0.2852(19) 1.0731(13) 0.0848(9) 0.223(9) Uani 1 1 d . . .
H49 H 0.2086 1.1170 0.0608 0.268 Uiso 1 1 calc R . .
C46 C 0.8528(18) 0.8230(18) 0.2227(10) 0.188(8) Uani 1 1 d . . .
H46 H 0.9373 0.8371 0.2184 0.226 Uiso 1 1 calc R . .
C58 C 0.028(2) 0.9842(13) 0.3487(11) 0.148(5) Uani 1 1 d . . .
F11 F 0.9085(13) 0.5088(10) -0.1543(9) 0.307(7) Uani 1 1 d . . .
C111 C 0.796(2) 0.5506(17) -0.103(2) 0.254(13) Uani 1 1 d . . .
C112 C 0.676(3) 0.5565(16) -0.1471(14) 0.241(11) Uani 1 1 d . . .
H112 H 0.6724 0.5381 -0.2039 0.289 Uiso 1 1 calc R . .
C126 C 0.618(2) 0.8551(16) 0.6448(14) 0.174(7) Uani 1 1 d . . .
C127 C 0.6710(19) 0.8008(15) 0.5773(17) 0.195(8) Uani 1 1 d . . .
H127 H 0.7602 0.7657 0.5781 0.234 Uiso 1 1 calc R . .
F10 F 1.0125(10) 0.2516(8) 0.360(2) 0.63(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C122 C123 1.3900 . ?
C122 C51 1.3900 . ?
C123 F10 1.292(13) . ?
C123 C125 1.3900 . ?
C125 C25 1.3900 . ?
C25 C34 1.3900 . ?
C34 C51 1.3900 . ?
C34 C9 1.438(13) . ?
Dy1 O3 2.286(8) . ?
Dy1 O6 2.302(9) . ?
Dy1 O2 2.307(8) . ?
Dy1 O5 2.311(8) . ?
Dy1 O4 2.327(7) . ?
Dy1 O1 2.334(10) . ?
Dy1 N2 2.553(10) . ?
Dy1 N1 2.605(9) . ?
F2 C22 1.256(17) . ?
F5 C45 1.44(3) . ?
F3 C45 1.314(19) . ?
F1 C22 1.35(2) . ?
F4 C45 1.10(4) . ?
F6 C22 1.350(18) . ?
O5 C14 1.279(12) . ?
O4 C24 1.260(13) . ?
O6 C10 1.268(11) . ?
O2 C20 1.300(14) . ?
O3 C9 1.263(12) . ?
N2 C30 1.298(16) . ?
N2 C13 1.368(14) . ?
O1 C17 1.268(15) . ?
C9 C21 1.415(14) . ?
C10 C38 1.383(14) . ?
C10 C15 1.477(15) . ?
C11 C36 1.30(2) . ?
C11 C29 1.44(2) . ?
N1 C33 1.305(17) . ?
N1 C47 1.351(15) . ?
C13 C35 1.356(16) . ?
C13 C47 1.430(18) . ?
C14 C38 1.345(14) . ?
C14 C58 1.469(18) . ?
C15 C37 1.358(16) . ?
C15 C19 1.388(15) . ?
F8 C58 1.353(13) . ?
C17 C18 1.37(2) . ?
C17 C27 1.545(19) . ?
C18 C20 1.357(17) . ?
C19 C127 1.39(2) . ?
C20 C22 1.53(2) . ?
C21 C24 1.361(15) . ?
F12 C126 1.391(18) . ?
C24 C45 1.60(2) . ?
F9 C58 1.299(16) . ?
C27 C55 1.303(17) . ?
C27 C39 1.359(19) . ?
C29 C46 1.36(2) . ?
C29 C47 1.441(16) . ?
C30 C49 1.385(16) . ?
C31 C46 1.31(2) . ?
C31 C33 1.442(17) . ?
C35 C48 1.39(2) . ?
C35 C36 1.45(2) . ?
C37 C41 1.438(17) . ?
C39 C54 1.384(18) . ?
C41 C126 1.38(2) . ?
F7 C58 1.335(17) . ?
C54 C111 1.24(3) . ?
C48 C49 1.369(19) . ?
C55 C112 1.43(2) . ?
F11 C111 1.415(18) . ?
C111 C112 1.41(3) . ?
C126 C127 1.36(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C123 C122 C51 120.0 . . ?
F10 C123 C125 119.7(17) . . ?
F10 C123 C122 120.2(17) . . ?
C125 C123 C122 120.0 . . ?
C25 C125 C123 120.0 . . ?
C125 C25 C34 120.0 . . ?
C25 C34 C51 120.0 . . ?
C25 C34 C9 118.2(10) . . ?
C51 C34 C9 121.8(10) . . ?
C34 C51 C122 120.0 . . ?
O3 Dy1 O6 85.7(3) . . ?
O3 Dy1 O2 119.2(3) . . ?
O6 Dy1 O2 147.4(3) . . ?
O3 Dy1 O5 142.7(2) . . ?
O6 Dy1 O5 72.6(2) . . ?
O2 Dy1 O5 75.0(3) . . ?
O3 Dy1 O4 71.5(3) . . ?
O6 Dy1 O4 87.8(2) . . ?
O2 Dy1 O4 81.7(3) . . ?
O5 Dy1 O4 77.5(2) . . ?
O3 Dy1 O1 71.7(3) . . ?
O6 Dy1 O1 138.8(3) . . ?
O2 Dy1 O1 72.7(3) . . ?
O5 Dy1 O1 142.6(3) . . ?
O4 Dy1 O1 115.3(3) . . ?
O3 Dy1 N2 138.0(3) . . ?
O6 Dy1 N2 93.7(3) . . ?
O2 Dy1 N2 81.3(3) . . ?
O5 Dy1 N2 74.9(3) . . ?
O4 Dy1 N2 150.5(4) . . ?
O1 Dy1 N2 82.1(3) . . ?
O3 Dy1 N1 76.0(4) . . ?
O6 Dy1 N1 71.2(3) . . ?
O2 Dy1 N1 131.9(3) . . ?
O5 Dy1 N1 122.2(3) . . ?
O4 Dy1 N1 142.3(4) . . ?
O1 Dy1 N1 70.2(3) . . ?
N2 Dy1 N1 64.3(4) . . ?
C14 O5 Dy1 132.7(7) . . ?
C24 O4 Dy1 132.1(7) . . ?
C10 O6 Dy1 139.0(7) . . ?
C20 O2 Dy1 132.7(8) . . ?
C9 O3 Dy1 142.6(7) . . ?
C30 N2 C13 118.5(12) . . ?
C30 N2 Dy1 121.6(8) . . ?
C13 N2 Dy1 120.0(10) . . ?
C17 O1 Dy1 138.3(10) . . ?
O3 C9 C21 118.8(11) . . ?
O3 C9 C34 117.1(10) . . ?
C21 C9 C34 124.0(12) . . ?
O6 C10 C38 120.7(10) . . ?
O6 C10 C15 116.2(12) . . ?
C38 C10 C15 123.1(12) . . ?
C36 C11 C29 123.1(14) . . ?
C33 N1 C47 119.5(12) . . ?
C33 N1 Dy1 122.7(9) . . ?
C47 N1 Dy1 117.8(9) . . ?
C35 C13 N2 122.2(15) . . ?
C35 C13 C47 119.8(12) . . ?
N2 C13 C47 118.1(11) . . ?
O5 C14 C38 128.2(12) . . ?
O5 C14 C58 111.5(10) . . ?
C38 C14 C58 120.4(12) . . ?
C37 C15 C19 118.6(13) . . ?
C37 C15 C10 121.7(13) . . ?
C19 C15 C10 119.8(14) . . ?
O1 C17 C18 124.0(14) . . ?
O1 C17 C27 115.3(17) . . ?
C18 C17 C27 120.7(15) . . ?
C20 C18 C17 122.0(14) . . ?
C127 C19 C15 119.8(15) . . ?
O2 C20 C18 130.3(13) . . ?
O2 C20 C22 110.5(14) . . ?
C18 C20 C22 119.1(15) . . ?
C24 C21 C9 122.8(11) . . ?
F2 C22 F1 105(2) . . ?
F2 C22 F6 105.4(14) . . ?
F1 C22 F6 106.2(19) . . ?
F2 C22 C20 115.2(17) . . ?
F1 C22 C20 111.3(15) . . ?
F6 C22 C20 113.1(18) . . ?
O4 C24 C21 130.0(10) . . ?
O4 C24 C45 111.1(14) . . ?
C21 C24 C45 117.4(13) . . ?
C55 C27 C39 120.9(14) . . ?
C55 C27 C17 123.4(16) . . ?
C39 C27 C17 115.7(14) . . ?
C46 C29 C11 126.5(15) . . ?
C46 C29 C47 116.9(15) . . ?
C11 C29 C47 116.6(17) . . ?
N2 C30 C49 123.0(14) . . ?
C46 C31 C33 117.3(17) . . ?
N1 C33 C31 122.3(15) . . ?
C13 C35 C48 118.7(13) . . ?
C13 C35 C36 120.4(17) . . ?
C48 C35 C36 120.9(15) . . ?
C11 C36 C35 120.4(15) . . ?
C15 C37 C41 124.6(14) . . ?
C14 C38 C10 125.1(11) . . ?
C27 C39 C54 121.5(16) . . ?
C126 C41 C37 112.1(16) . . ?
F4 C45 F3 117(3) . . ?
F4 C45 F5 112(2) . . ?
F3 C45 F5 95(2) . . ?
F4 C45 C24 121(2) . . ?
F3 C45 C24 105.4(17) . . ?
F5 C45 C24 104(2) . . ?
N1 C47 C13 119.9(10) . . ?
N1 C47 C29 120.4(16) . . ?
C13 C47 C29 119.7(14) . . ?
C111 C54 C39 116(2) . . ?
C49 C48 C35 118.8(14) . . ?
C27 C55 C112 120.5(17) . . ?
C48 C49 C30 118.9(16) . . ?
C31 C46 C29 123.4(16) . . ?
F9 C58 F7 107.8(14) . . ?
F9 C58 F8 102.7(14) . . ?
F7 C58 F8 100.1(13) . . ?
F9 C58 C14 116.2(14) . . ?
F7 C58 C14 114.1(14) . . ?
F8 C58 C14 114.2(13) . . ?
C54 C111 C112 128(2) . . ?
C54 C111 F11 121(3) . . ?
C112 C111 F11 111(2) . . ?
C111 C112 C55 112.6(17) . . ?
C127 C126 C41 126.4(18) . . ?
C127 C126 F12 120(2) . . ?
C41 C126 F12 114(2) . . ?
C126 C127 C19 118.5(18) . . ?

_diffrn_measured_fraction_theta_max 0.969
_diffrn_reflns_theta_full        26.24
_diffrn_measured_fraction_theta_full 0.969
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.084
