# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Licun Li'
_publ_contact_author_email       llicun@nankai.edu.cn
loop_
_publ_author_name
'Ruina Liu'
'Congming Zhang'
'Licun Li'
'Dai-Zheng Liao'
'Jean-Pascal Sutter'

data_complex1
_database_code_depnum_ccdc_archive 'CCDC 871244'
#TrackingRef '- cif file for complexes 1 and 2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H36 Dy2 F24 N4 O14'
_chemical_formula_weight         1649.79

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                   10.276(5)
_cell_length_b                   12.010(6)
_cell_length_c                   13.240(7)
_cell_angle_alpha                68.93(3)
_cell_angle_beta                 75.58(4)
_cell_angle_gamma                69.58(3)
_cell_volume                     1414.6(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    5168
_cell_measurement_theta_min      1.7
_cell_measurement_theta_max      27.3

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.937
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_absorpt_coefficient_mu    2.765
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6077
_exptl_absorpt_correction_T_max  0.8091
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            12432
_diffrn_reflns_av_R_equivalents  0.0936
_diffrn_reflns_av_sigmaI/netI    0.1977
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.90
_diffrn_reflns_theta_max         27.00
_reflns_number_total             6113
_reflns_number_gt                3687
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
SADI 0.01 C2 C3 C2' C3'
SADI 0.01 C3 C6 C3 C7 C2 C4 C2 C5 C3' C6' C3' C7' C2' C4' C2' C5'
SADI 0.01 C14 F1 C14 F2 C14 F3 C14 F1' C14 F2' C14 F3' C18 F4 C18 F5 C18 F6 =
C18 F4' C18 F5' C18 F6' C19 F7 C19 F8 C19 F9 C19 F7' C19 F8' C19 F9' C23 F10 =
C23 F11 C23 F12 C23 F10' C23 F11' C23 F12'
SADI 0.01 F1 F2 F1 F3 F2 F3 F1' F2' F1' F3' F2' F3' F4 F5 F4 F6 F5 F6 F4' =
F5' F4' F6' F5' F6' F7 F8 F7 F9 F8 F9 F7' F8' F8' F9' F7' F9' F10 F11 F10 =
F12 F11 F12 F10' F11' F10' F12' F11' F12'
DELU 0.001 0.001 C19 F9 O3 N2 O6 C20 C14 F1 C19 F8 C23 F11 C3 N2
SIMU 0.02 0.04 3.8 C2 C3 C4 C5 C6 C7 C2' C3' C4' C5' C6' C7'
SIMU 0.02 0.04 3.8 C14 F1 F2 F3 F1' F2' F3'
SIMU 0.02 0.04 3.8 C18 F4 F5 F6 F4' F5' F6'
SIMU 0.02 0.04 3.8 C19 F7 F8 F9 F7' F8' F9'
SIMU 0.02 0.04 3.8 C23 F10 F11 F12 F10' F11' F12'
ISOR 0.01 0.02 C2' F1 C5 F2 F8 F7' C1
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0170P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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       0.0011(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         6113
_refine_ls_number_parameters     578
_refine_ls_number_restraints     1512
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0765
_refine_ls_wR_factor_ref         0.1322
_refine_ls_wR_factor_gt          0.1205
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      0.974
_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 0.41151(4) 0.63463(4) 0.38766(4) 0.03250(18) Uani 1 1 d . . .
O1 O 0.3935(6) 0.4582(6) 0.5305(5) 0.0312(16) Uani 1 1 d . . .
O2 O 0.2122(6) 0.7029(6) 0.4945(5) 0.0383(19) Uani 1 1 d . A .
O3 O 0.0426(9) 0.4800(9) 0.8326(8) 0.093(3) Uani 1 1 d U A .
O4 O 0.3839(6) 0.5224(6) 0.2915(6) 0.0370(17) Uani 1 1 d . . .
O5 O 0.2635(6) 0.7741(6) 0.2618(6) 0.0424(19) Uani 1 1 d . . .
O6 O 0.5717(6) 0.6745(6) 0.2308(5) 0.0404(18) Uani 1 1 d U . .
O7 O 0.4486(6) 0.8181(6) 0.3733(6) 0.0395(19) Uani 1 1 d . . .
N1 N 0.1716(7) 0.6674(8) 0.5976(7) 0.035(2) Uani 1 1 d . . .
N2 N 0.0900(8) 0.5665(9) 0.7564(8) 0.046(2) Uani 1 1 d U . .
C1 C 0.1399(9) 0.5628(11) 0.6536(9) 0.044(3) Uani 1 1 d U A .
C2 C 0.1610(12) 0.7429(13) 0.6673(15) 0.045(4) Uani 0.713(5) 1 d PDU A 1
C3 C 0.0653(11) 0.6862(19) 0.7719(11) 0.039(3) Uani 0.713(5) 1 d PDU A 1
C4 C 0.3110(11) 0.7212(13) 0.6855(12) 0.036(3) Uani 0.713(5) 1 d PDU A 1
H4A H 0.3485 0.6343 0.7281 0.055 Uiso 0.713(5) 1 calc PR A 1
H4B H 0.3099 0.7765 0.7252 0.055 Uiso 0.713(5) 1 calc PR A 1
H4C H 0.3704 0.7390 0.6146 0.055 Uiso 0.713(5) 1 calc PR A 1
C5 C 0.0991(15) 0.8806(12) 0.6100(11) 0.047(4) Uani 0.713(5) 1 d PDU A 1
H5A H 0.1676 0.9101 0.5488 0.070 Uiso 0.713(5) 1 calc PR A 1
H5B H 0.0763 0.9280 0.6619 0.070 Uiso 0.713(5) 1 calc PR A 1
H5C H 0.0137 0.8923 0.5824 0.070 Uiso 0.713(5) 1 calc PR A 1
C6 C 0.1041(15) 0.6682(15) 0.8827(11) 0.056(4) Uani 0.713(5) 1 d PDU A 1
H6A H 0.0360 0.6347 0.9418 0.084 Uiso 0.713(5) 1 calc PR A 1
H6B H 0.1028 0.7485 0.8865 0.084 Uiso 0.713(5) 1 calc PR A 1
H6C H 0.1981 0.6099 0.8904 0.084 Uiso 0.713(5) 1 calc PR A 1
C7 C -0.0907(11) 0.7575(14) 0.7695(12) 0.044(4) Uani 0.713(5) 1 d PDU A 1
H7A H -0.1205 0.7558 0.7054 0.066 Uiso 0.713(5) 1 calc PR A 1
H7B H -0.1053 0.8440 0.7654 0.066 Uiso 0.713(5) 1 calc PR A 1
H7C H -0.1459 0.7182 0.8361 0.066 Uiso 0.713(5) 1 calc PR A 1
C2' C 0.130(3) 0.751(4) 0.670(4) 0.042(6) Uani 0.287(5) 1 d PDU A 2
C3' C 0.106(3) 0.675(5) 0.794(3) 0.046(6) Uani 0.287(5) 1 d PDU A 2
C4' C 0.239(4) 0.823(4) 0.638(3) 0.051(7) Uani 0.287(5) 1 d PDU A 2
H4'A H 0.3269 0.7769 0.6032 0.076 Uiso 0.287(5) 1 calc PR A 2
H4'B H 0.2560 0.8330 0.7033 0.076 Uiso 0.287(5) 1 calc PR A 2
H4'C H 0.2039 0.9055 0.5864 0.076 Uiso 0.287(5) 1 calc PR A 2
C5' C -0.009(3) 0.841(3) 0.633(3) 0.048(7) Uani 0.287(5) 1 d PDU A 2
H5'A H -0.0210 0.8316 0.5658 0.072 Uiso 0.287(5) 1 calc PR A 2
H5'B H -0.0098 0.9270 0.6199 0.072 Uiso 0.287(5) 1 calc PR A 2
H5'C H -0.0868 0.8223 0.6905 0.072 Uiso 0.287(5) 1 calc PR A 2
C6' C 0.241(3) 0.607(4) 0.847(3) 0.061(8) Uani 0.287(5) 1 d PDU A 2
H6'A H 0.2169 0.5659 0.9248 0.092 Uiso 0.287(5) 1 calc PR A 2
H6'B H 0.2899 0.6672 0.8384 0.092 Uiso 0.287(5) 1 calc PR A 2
H6'C H 0.3019 0.5442 0.8112 0.092 Uiso 0.287(5) 1 calc PR A 2
C7' C -0.041(3) 0.705(3) 0.859(3) 0.056(8) Uani 0.287(5) 1 d PDU A 2
H7'A H -0.0770 0.7951 0.8484 0.084 Uiso 0.287(5) 1 calc PR A 2
H7'B H -0.0369 0.6606 0.9367 0.084 Uiso 0.287(5) 1 calc PR A 2
H7'C H -0.1044 0.6793 0.8330 0.084 Uiso 0.287(5) 1 calc PR A 2
C8 C 0.1514(10) 0.4585(10) 0.6131(8) 0.039(3) Uani 1 1 d . . .
C9 C 0.2798(9) 0.4147(10) 0.5471(9) 0.039(3) Uani 1 1 d . A .
C10 C 0.2868(9) 0.3230(10) 0.5099(8) 0.036(3) Uani 1 1 d . . .
H10 H 0.3699 0.2909 0.4658 0.044 Uiso 1 1 calc R A .
C11 C 0.1757(10) 0.2736(9) 0.5343(8) 0.043(3) Uani 1 1 d . A .
H11 H 0.1838 0.2079 0.5071 0.051 Uiso 1 1 calc R . .
C12 C 0.0546(10) 0.3181(10) 0.5969(9) 0.044(3) Uani 1 1 d . . .
H12 H -0.0215 0.2838 0.6136 0.053 Uiso 1 1 calc R A .
C13 C 0.0447(9) 0.4108(10) 0.6342(9) 0.042(3) Uani 1 1 d . A .
H13 H -0.0399 0.4433 0.6767 0.051 Uiso 1 1 calc R . .
C15 C 0.2258(10) 0.7670(10) 0.1792(9) 0.041(3) Uani 1 1 d . A .
C16 C 0.2606(10) 0.6604(10) 0.1491(9) 0.049(3) Uani 1 1 d . . .
H16 H 0.2284 0.6654 0.0858 0.059 Uiso 1 1 calc R . .
C17 C 0.3397(9) 0.5476(10) 0.2068(8) 0.035(3) Uani 1 1 d . A .
C20 C 0.6056(11) 0.7671(11) 0.1745(9) 0.047(3) Uani 1 1 d U A .
C21 C 0.5797(11) 0.8818(10) 0.1951(9) 0.051(3) Uani 1 1 d . . .
H21 H 0.6140 0.9473 0.1429 0.061 Uiso 1 1 calc R . .
C22 C 0.5013(11) 0.8945(11) 0.2958(10) 0.046(3) Uani 1 1 d . A .
C14 C 0.1370(9) 0.8864(8) 0.1099(7) 0.066(4) Uani 1 1 d DU . .
F1 F 0.0852(15) 0.9729(10) 0.1588(10) 0.096(4) Uani 0.713(5) 1 d PDU A 1
F2 F 0.2114(11) 0.9309(12) 0.0158(9) 0.121(5) Uani 0.713(5) 1 d PDU A 1
F3 F 0.0329(13) 0.8658(10) 0.0853(14) 0.106(5) Uani 0.713(5) 1 d PDU A 1
F1' F 0.189(3) 0.9792(19) 0.092(3) 0.092(7) Uani 0.287(5) 1 d PDU A 2
F2' F 0.115(3) 0.888(2) 0.0156(16) 0.069(7) Uani 0.287(5) 1 d PDU A 2
F3' F 0.0127(19) 0.912(3) 0.1706(19) 0.090(8) Uani 0.287(5) 1 d PDU A 2
C18 C 0.3639(8) 0.4368(8) 0.1645(7) 0.065(4) Uani 1 1 d DU . .
F4 F 0.4993(7) 0.3922(11) 0.1330(9) 0.088(4) Uani 0.713(5) 1 d PDU A 1
F5 F 0.2993(10) 0.4658(14) 0.0798(7) 0.066(4) Uani 0.713(5) 1 d PDU A 1
F6 F 0.3212(12) 0.3455(10) 0.2420(9) 0.096(5) Uani 0.713(5) 1 d PDU A 1
F4' F 0.4757(18) 0.438(3) 0.0892(18) 0.081(8) Uani 0.287(5) 1 d PDU A 2
F5' F 0.261(2) 0.443(4) 0.119(2) 0.084(8) Uani 0.287(5) 1 d PDU A 2
F6' F 0.393(3) 0.3272(19) 0.240(2) 0.076(7) Uani 0.287(5) 1 d PDU A 2
C19 C 0.6816(9) 0.7669(7) 0.0585(7) 0.069(3) Uani 1 1 d DU . .
F7 F 0.7117(10) 0.6584(7) 0.0427(8) 0.062(3) Uani 0.713(5) 1 d PDU A 1
F8 F 0.6128(12) 0.8528(10) -0.0177(8) 0.111(5) Uani 0.713(5) 1 d PDU A 1
F9 F 0.8054(9) 0.7885(11) 0.0453(9) 0.084(3) Uani 0.713(5) 1 d PDU A 1
F7' F 0.7918(19) 0.6727(16) 0.053(2) 0.105(9) Uani 0.287(5) 1 d PDU A 2
F8' F 0.5821(19) 0.753(3) 0.0190(18) 0.090(7) Uani 0.287(5) 1 d PDU A 2
F9' F 0.708(3) 0.8705(14) -0.0078(18) 0.087(8) Uani 0.287(5) 1 d PDU A 2
C23 C 0.4895(8) 1.0133(9) 0.3199(7) 0.067(4) Uani 1 1 d DU . .
F10 F 0.5077(12) 1.1053(11) 0.2313(8) 0.109(5) Uani 0.713(5) 1 d PDU A 1
F11 F 0.5821(9) 0.9933(10) 0.3832(8) 0.075(3) Uani 0.713(5) 1 d PDU A 1
F12 F 0.3634(7) 1.0535(10) 0.3729(8) 0.064(3) Uani 0.713(5) 1 d PDU A 1
F10' F 0.573(2) 1.078(2) 0.250(2) 0.078(8) Uani 0.287(5) 1 d PDU A 2
F11' F 0.508(3) 1.000(3) 0.4189(13) 0.096(8) Uani 0.287(5) 1 d PDU A 2
F12' F 0.3595(12) 1.080(3) 0.307(2) 0.093(9) Uani 0.287(5) 1 d PDU A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.0298(3) 0.0312(3) 0.0342(3) -0.0160(3) -0.0031(2) -0.0005(2)
O1 0.026(3) 0.030(4) 0.031(4) -0.011(3) 0.007(3) -0.007(3)
O2 0.023(3) 0.043(5) 0.033(4) -0.014(4) 0.012(3) 0.001(3)
O3 0.121(8) 0.064(6) 0.083(8) -0.014(6) 0.006(6) -0.036(6)
O4 0.044(4) 0.023(4) 0.047(5) -0.012(4) -0.015(4) -0.005(3)
O5 0.044(4) 0.030(4) 0.049(5) -0.017(4) -0.011(4) 0.004(3)
O6 0.047(4) 0.033(4) 0.033(4) -0.013(3) 0.009(3) -0.007(3)
O7 0.035(4) 0.027(4) 0.055(5) -0.018(4) 0.003(4) -0.009(3)
N1 0.030(5) 0.033(5) 0.042(6) -0.025(5) 0.004(4) -0.001(4)
N2 0.034(5) 0.052(6) 0.047(6) -0.025(5) 0.001(4) 0.000(4)
C1 0.025(5) 0.045(6) 0.050(6) -0.020(5) 0.012(4) -0.002(4)
C2 0.037(7) 0.044(7) 0.049(7) -0.030(6) 0.002(6) 0.006(6)
C3 0.026(6) 0.050(6) 0.038(7) -0.020(5) -0.007(6) 0.003(6)
C4 0.032(7) 0.038(8) 0.047(8) -0.026(7) -0.009(6) -0.003(6)
C5 0.052(7) 0.033(7) 0.041(7) -0.026(6) 0.001(6) 0.017(6)
C6 0.048(8) 0.059(9) 0.059(9) -0.035(7) -0.001(7) 0.000(7)
C7 0.021(6) 0.053(8) 0.048(8) -0.028(7) -0.003(6) 0.014(6)
C2' 0.037(7) 0.042(8) 0.045(8) -0.025(6) -0.002(7) 0.000(6)
C3' 0.035(9) 0.044(9) 0.051(9) -0.024(9) -0.001(9) 0.004(9)
C4' 0.049(12) 0.050(12) 0.054(12) -0.027(11) 0.005(11) -0.012(11)
C5' 0.048(11) 0.035(11) 0.049(12) -0.012(11) -0.015(11) 0.008(11)
C6' 0.052(12) 0.055(12) 0.059(12) -0.019(11) -0.008(11) 0.007(11)
C7' 0.046(12) 0.049(12) 0.059(12) -0.029(11) -0.004(11) 0.014(11)
C8 0.037(6) 0.046(7) 0.035(6) -0.022(6) -0.003(5) -0.002(5)
C9 0.018(5) 0.051(7) 0.052(7) -0.034(6) -0.010(5) 0.006(5)
C10 0.023(5) 0.045(7) 0.043(7) -0.020(6) -0.004(5) -0.005(5)
C11 0.056(7) 0.029(6) 0.044(7) -0.012(6) -0.016(6) -0.007(5)
C12 0.042(6) 0.035(7) 0.056(8) -0.005(6) -0.016(6) -0.015(5)
C13 0.032(6) 0.044(7) 0.051(7) -0.020(6) 0.009(5) -0.017(5)
C15 0.040(6) 0.037(7) 0.048(7) -0.016(6) -0.019(5) 0.001(5)
C16 0.049(7) 0.058(9) 0.042(7) -0.026(7) -0.017(6) 0.001(6)
C17 0.034(6) 0.037(7) 0.037(6) -0.023(6) -0.008(5) 0.003(4)
C20 0.058(6) 0.039(6) 0.038(4) -0.013(5) 0.009(4) -0.016(5)
C21 0.083(9) 0.027(7) 0.043(7) -0.007(6) -0.006(6) -0.022(6)
C22 0.040(7) 0.038(7) 0.060(9) -0.022(7) -0.011(6) -0.002(5)
C14 0.070(8) 0.040(7) 0.083(10) -0.025(7) -0.037(8) 0.014(6)
F1 0.110(8) 0.048(7) 0.106(8) -0.039(6) -0.040(7) 0.039(6)
F2 0.133(9) 0.072(8) 0.085(8) 0.016(7) -0.022(8) 0.022(7)
F3 0.112(9) 0.067(8) 0.142(11) 0.006(9) -0.094(8) -0.015(7)
F1' 0.141(15) 0.040(12) 0.100(15) -0.013(12) -0.052(13) -0.014(12)
F2' 0.099(15) 0.044(12) 0.068(13) -0.015(11) -0.052(12) -0.001(12)
F3' 0.114(14) 0.038(13) 0.104(15) -0.016(12) -0.043(13) 0.008(11)
C18 0.084(9) 0.057(8) 0.063(9) -0.036(7) -0.024(7) -0.004(7)
F4 0.092(7) 0.077(10) 0.085(9) -0.058(7) -0.036(6) 0.037(6)
F5 0.100(8) 0.051(8) 0.058(7) -0.030(6) -0.029(6) -0.008(6)
F6 0.168(11) 0.032(7) 0.082(8) -0.013(6) -0.045(9) -0.007(7)
F4' 0.123(15) 0.048(13) 0.061(13) -0.038(11) -0.004(12) 0.006(12)
F5' 0.124(14) 0.053(13) 0.099(15) -0.045(12) -0.047(13) -0.010(12)
F6' 0.139(15) 0.039(12) 0.060(13) -0.013(11) -0.051(13) -0.013(12)
C19 0.096(8) 0.068(9) 0.032(4) -0.009(4) 0.014(4) -0.033(6)
F7 0.062(6) 0.093(8) 0.048(6) -0.049(6) 0.024(5) -0.037(5)
F8 0.132(8) 0.116(9) 0.038(4) -0.017(6) 0.001(6) 0.005(7)
F9 0.083(6) 0.080(8) 0.080(7) -0.045(7) 0.045(4) -0.029(6)
F7' 0.107(13) 0.094(12) 0.072(12) -0.026(11) 0.034(11) -0.012(11)
F8' 0.145(15) 0.086(14) 0.040(12) -0.032(11) 0.015(12) -0.041(13)
F9' 0.095(14) 0.094(14) 0.044(12) -0.015(12) 0.009(12) -0.013(13)
C23 0.083(8) 0.041(8) 0.077(10) -0.028(8) -0.009(6) -0.011(7)
F10 0.164(11) 0.045(8) 0.096(9) -0.023(7) 0.002(9) -0.014(9)
F11 0.071(7) 0.058(7) 0.123(9) -0.065(7) -0.009(6) -0.014(6)
F12 0.052(6) 0.036(6) 0.102(9) -0.042(7) -0.015(5) 0.016(4)
F10' 0.079(13) 0.031(12) 0.123(15) -0.038(12) 0.016(13) -0.021(11)
F11' 0.112(15) 0.068(13) 0.116(14) -0.045(13) -0.008(14) -0.022(13)
F12' 0.077(13) 0.050(13) 0.147(16) -0.048(14) -0.003(13) -0.001(11)

_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 2.255(6) 2_666 ?
Dy1 O2 2.256(5) . ?
Dy1 O4 2.280(6) . ?
Dy1 O7 2.298(7) . ?
Dy1 O1 2.306(6) . ?
Dy1 O5 2.318(7) . ?
Dy1 O6 2.321(6) . ?
Dy1 Dy1 3.780(2) 2_666 ?
O1 C9 1.379(11) . ?
O1 Dy1 2.255(6) 2_666 ?
O2 N1 1.281(9) . ?
O3 N2 1.300(11) . ?
O4 C17 1.213(10) . ?
O5 C15 1.286(11) . ?
O6 C20 1.208(12) . ?
O7 C22 1.257(12) . ?
N1 C1 1.314(12) . ?
N1 C2 1.47(2) . ?
N1 C2' 1.52(6) . ?
N2 C1 1.340(12) . ?
N2 C3 1.45(2) . ?
N2 C3' 1.62(6) . ?
C1 C8 1.490(13) . ?
C2 C5 1.523(9) . ?
C2 C4 1.537(9) . ?
C2 C3 1.567(15) . ?
C3 C7 1.534(8) . ?
C3 C6 1.537(9) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C2' C5' 1.531(10) . ?
C2' C4' 1.533(10) . ?
C2' C3' 1.571(17) . ?
C3' C7' 1.536(10) . ?
C3' C6' 1.539(10) . ?
C4' H4'A 0.9800 . ?
C4' H4'B 0.9800 . ?
C4' H4'C 0.9800 . ?
C5' H5'A 0.9800 . ?
C5' H5'B 0.9800 . ?
C5' H5'C 0.9800 . ?
C6' H6'A 0.9800 . ?
C6' H6'B 0.9800 . ?
C6' H6'C 0.9800 . ?
C7' H7'A 0.9800 . ?
C7' H7'B 0.9800 . ?
C7' H7'C 0.9800 . ?
C8 C13 1.334(12) . ?
C8 C9 1.433(11) . ?
C9 C10 1.333(12) . ?
C10 C11 1.383(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.365(11) . ?
C11 H11 0.9500 . ?
C12 C13 1.336(13) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C15 C16 1.379(12) . ?
C15 C14 1.513(13) . ?
C16 C17 1.370(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.542(12) . ?
C20 C21 1.421(13) . ?
C20 C19 1.540(12) . ?
C21 C22 1.405(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.530(13) . ?
C14 F1 1.307(7) . ?
C14 F2' 1.313(7) . ?
C14 F3 1.315(7) . ?
C14 F1' 1.321(7) . ?
C14 F2 1.324(7) . ?
C14 F3' 1.328(7) . ?
C18 F5' 1.317(8) . ?
C18 F4' 1.320(7) . ?
C18 F4 1.322(7) . ?
C18 F6' 1.323(8) . ?
C18 F6 1.323(7) . ?
C18 F5 1.323(7) . ?
C19 F8 1.297(7) . ?
C19 F7' 1.301(7) . ?
C19 F7 1.312(7) . ?
C19 F9' 1.314(7) . ?
C19 F8' 1.339(7) . ?
C19 F9 1.342(7) . ?
C23 F12' 1.314(7) . ?
C23 F11' 1.317(7) . ?
C23 F10 1.318(7) . ?
C23 F10' 1.322(8) . ?
C23 F11 1.325(7) . ?
C23 F12 1.326(7) . ?

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 O2 115.8(2) 2_666 . ?
O1 Dy1 O4 112.9(2) 2_666 . ?
O2 Dy1 O4 112.3(2) . . ?
O1 Dy1 O7 85.2(2) 2_666 . ?
O2 Dy1 O7 83.5(2) . . ?
O4 Dy1 O7 144.3(3) . . ?
O1 Dy1 O1 68.1(3) 2_666 . ?
O2 Dy1 O1 76.3(2) . . ?
O4 Dy1 O1 81.5(2) . . ?
O7 Dy1 O1 134.1(2) . . ?
O1 Dy1 O5 159.0(2) 2_666 . ?
O2 Dy1 O5 77.0(2) . . ?
O4 Dy1 O5 73.7(2) . . ?
O7 Dy1 O5 79.6(2) . . ?
O1 Dy1 O5 132.8(2) . . ?
O1 Dy1 O6 83.0(2) 2_666 . ?
O2 Dy1 O6 149.7(2) . . ?
O4 Dy1 O6 77.7(2) . . ?
O7 Dy1 O6 74.2(2) . . ?
O1 Dy1 O6 134.0(2) . . ?
O5 Dy1 O6 78.9(2) . . ?
O1 Dy1 Dy1 34.46(16) 2_666 2_666 ?
O2 Dy1 Dy1 96.62(17) . 2_666 ?
O4 Dy1 Dy1 98.20(17) . 2_666 ?
O7 Dy1 Dy1 112.02(18) . 2_666 ?
O1 Dy1 Dy1 33.59(15) . 2_666 ?
O5 Dy1 Dy1 166.31(17) . 2_666 ?
O6 Dy1 Dy1 110.56(17) . 2_666 ?
C9 O1 Dy1 128.3(6) . 2_666 ?
C9 O1 Dy1 119.2(6) . . ?
Dy1 O1 Dy1 111.9(3) 2_666 . ?
N1 O2 Dy1 132.8(5) . . ?
C17 O4 Dy1 135.2(7) . . ?
C15 O5 Dy1 133.6(6) . . ?
C20 O6 Dy1 132.9(7) . . ?
C22 O7 Dy1 132.8(7) . . ?
O2 N1 C1 126.4(9) . . ?
O2 N1 C2 121.0(10) . . ?
C1 N1 C2 112.6(10) . . ?
O2 N1 C2' 123.5(14) . . ?
C1 N1 C2' 109.5(14) . . ?
C2 N1 C2' 11.2(13) . . ?
O3 N2 C1 123.8(11) . . ?
O3 N2 C3 120.6(10) . . ?
C1 N2 C3 114.5(11) . . ?
O3 N2 C3' 116.7(15) . . ?
C1 N2 C3' 119.1(16) . . ?
C3 N2 C3' 18.4(11) . . ?
N1 C1 N2 107.6(10) . . ?
N1 C1 C8 127.8(10) . . ?
N2 C1 C8 124.6(11) . . ?
N1 C2 C5 110.4(13) . . ?
N1 C2 C4 106.8(11) . . ?
C5 C2 C4 109.0(12) . . ?
N1 C2 C3 101.1(12) . . ?
C5 C2 C3 114.6(13) . . ?
C4 C2 C3 114.5(12) . . ?
N2 C3 C7 108.8(12) . . ?
N2 C3 C6 110.4(13) . . ?
C7 C3 C6 108.9(11) . . ?
N2 C3 C2 98.9(11) . . ?
C7 C3 C2 112.6(12) . . ?
C6 C3 C2 116.6(14) . . ?
N1 C2' C5' 102(3) . . ?
N1 C2' C4' 108(3) . . ?
C5' C2' C4' 109(3) . . ?
N1 C2' C3' 111(3) . . ?
C5' C2' C3' 110(3) . . ?
C4' C2' C3' 116(4) . . ?
C7' C3' C6' 124(3) . . ?
C7' C3' C2' 119(3) . . ?
C6' C3' C2' 114(3) . . ?
C7' C3' N2 97(3) . . ?
C6' C3' N2 101(3) . . ?
C2' C3' N2 89(3) . . ?
C2' C4' H4'A 109.5 . . ?
C2' C4' H4'B 109.5 . . ?
H4'A C4' H4'B 109.5 . . ?
C2' C4' H4'C 109.5 . . ?
H4'A C4' H4'C 109.5 . . ?
H4'B C4' H4'C 109.5 . . ?
C2' C5' H5'A 109.5 . . ?
C2' C5' H5'B 109.5 . . ?
H5'A C5' H5'B 109.5 . . ?
C2' C5' H5'C 109.5 . . ?
H5'A C5' H5'C 109.5 . . ?
H5'B C5' H5'C 109.5 . . ?
C3' C6' H6'A 109.5 . . ?
C3' C6' H6'B 109.5 . . ?
H6'A C6' H6'B 109.5 . . ?
C3' C6' H6'C 109.5 . . ?
H6'A C6' H6'C 109.5 . . ?
H6'B C6' H6'C 109.5 . . ?
C3' C7' H7'A 109.5 . . ?
C3' C7' H7'B 109.5 . . ?
H7'A C7' H7'B 109.5 . . ?
C3' C7' H7'C 109.5 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
C13 C8 C9 121.4(10) . . ?
C13 C8 C1 121.3(9) . . ?
C9 C8 C1 117.3(9) . . ?
C10 C9 O1 121.9(8) . . ?
C10 C9 C8 116.3(10) . . ?
O1 C9 C8 121.6(9) . . ?
C9 C10 C11 121.4(9) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 120.8(10) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C13 C12 C11 118.9(10) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C8 C13 C12 121.3(10) . . ?
C8 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
O5 C15 C16 125.3(10) . . ?
O5 C15 C14 116.5(9) . . ?
C16 C15 C14 118.2(9) . . ?
C17 C16 C15 122.7(10) . . ?
C17 C16 H16 118.7 . . ?
C15 C16 H16 118.7 . . ?
O4 C17 C16 127.8(10) . . ?
O4 C17 C18 116.0(9) . . ?
C16 C17 C18 115.9(9) . . ?
O6 C20 C21 130.4(11) . . ?
O6 C20 C19 116.4(9) . . ?
C21 C20 C19 113.1(10) . . ?
C22 C21 C20 117.4(11) . . ?
C22 C21 H21 121.3 . . ?
C20 C21 H21 121.3 . . ?
O7 C22 C21 129.5(11) . . ?
O7 C22 C23 114.6(10) . . ?
C21 C22 C23 115.6(10) . . ?
F1 C14 F2' 129.0(14) . . ?
F1 C14 F3 108.7(7) . . ?
F2' C14 F3 49.9(10) . . ?
F1 C14 F1' 55.1(11) . . ?
F2' C14 F1' 107.8(8) . . ?
F3 C14 F1' 139.5(14) . . ?
F1 C14 F2 107.9(7) . . ?
F2' C14 F2 57.2(10) . . ?
F3 C14 F2 106.4(7) . . ?
F1' C14 F2 57.2(11) . . ?
F1 C14 F3' 52.4(11) . . ?
F2' C14 F3' 107.4(8) . . ?
F3 C14 F3' 62.5(11) . . ?
F1' C14 F3' 106.5(8) . . ?
F2 C14 F3' 142.9(13) . . ?
F1 C14 C15 112.3(9) . . ?
F2' C14 C15 118.5(13) . . ?
F3 C14 C15 110.4(9) . . ?
F1' C14 C15 110.1(13) . . ?
F2 C14 C15 110.9(9) . . ?
F3' C14 C15 106.0(13) . . ?
F5' C18 F4' 107.7(8) . . ?
F5' C18 F4 126.0(19) . . ?
F4' C18 F4 29.2(11) . . ?
F5' C18 F6' 107.2(8) . . ?
F4' C18 F6' 107.1(8) . . ?
F4 C18 F6' 79.3(12) . . ?
F5' C18 F6 82.8(16) . . ?
F4' C18 F6 132.6(15) . . ?
F4 C18 F6 107.7(7) . . ?
F6' C18 F6 30.0(12) . . ?
F5' C18 F5 26.7(14) . . ?
F4' C18 F5 83.1(14) . . ?
F4 C18 F5 106.8(7) . . ?
F6' C18 F5 126(2) . . ?
F6 C18 F5 107.2(7) . . ?
F5' C18 C17 115.0(18) . . ?
F4' C18 C17 105.6(16) . . ?
F4 C18 C17 109.7(9) . . ?
F6' C18 C17 113.7(17) . . ?
F6 C18 C17 111.2(10) . . ?
F5 C18 C17 113.9(10) . . ?
F8 C19 F7' 130.6(15) . . ?
F8 C19 F7 109.3(7) . . ?
F7' C19 F7 42.5(11) . . ?
F8 C19 F9' 50.9(9) . . ?
F7' C19 F9' 109.8(8) . . ?
F7 C19 F9' 129.9(14) . . ?
F8 C19 F8' 56.0(10) . . ?
F7' C19 F8' 106.9(8) . . ?
F7 C19 F8' 65.5(10) . . ?
F9' C19 F8' 105.8(8) . . ?
F8 C19 F9 107.1(7) . . ?
F7' C19 F9 64.5(10) . . ?
F7 C19 F9 105.7(7) . . ?
F9' C19 F9 57.3(10) . . ?
F8' C19 F9 151.3(13) . . ?
F8 C19 C20 113.1(9) . . ?
F7' C19 C20 115.6(14) . . ?
F7 C19 C20 112.4(8) . . ?
F9' C19 C20 117.6(13) . . ?
F8' C19 C20 99.5(12) . . ?
F9 C19 C20 108.9(8) . . ?
F12' C23 F11' 108.5(8) . . ?
F12' C23 F10 78.2(12) . . ?
F11' C23 F10 126(2) . . ?
F12' C23 F10' 107.5(8) . . ?
F11' C23 F10' 107.3(8) . . ?
F10 C23 F10' 30.5(12) . . ?
F12' C23 F11 138.1(14) . . ?
F11' C23 F11 34.3(12) . . ?
F10 C23 F11 107.5(7) . . ?
F10' C23 F11 79.9(14) . . ?
F12' C23 F12 36.4(11) . . ?
F11' C23 F12 73.7(11) . . ?
F10 C23 F12 107.1(7) . . ?
F10' C23 F12 129.1(16) . . ?
F11 C23 F12 106.9(7) . . ?
F12' C23 C22 102.9(15) . . ?
F11' C23 C22 116.5(16) . . ?
F10 C23 C22 113.5(11) . . ?
F10' C23 C22 113.7(16) . . ?
F11 C23 C22 111.6(9) . . ?
F12 C23 C22 110.0(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Dy1 O1 C9 -172.3(7) 2_666 . . . ?
O2 Dy1 O1 C9 62.2(6) . . . . ?
O4 Dy1 O1 C9 -53.4(6) . . . . ?
O7 Dy1 O1 C9 128.7(6) . . . . ?
O5 Dy1 O1 C9 4.9(7) . . . . ?
O6 Dy1 O1 C9 -117.2(6) . . . . ?
Dy1 Dy1 O1 C9 -172.3(7) 2_666 . . . ?
O1 Dy1 O1 Dy1 0.0 2_666 . . 2_666 ?
O2 Dy1 O1 Dy1 -125.5(3) . . . 2_666 ?
O4 Dy1 O1 Dy1 119.0(3) . . . 2_666 ?
O7 Dy1 O1 Dy1 -58.9(4) . . . 2_666 ?
O5 Dy1 O1 Dy1 177.3(2) . . . 2_666 ?
O6 Dy1 O1 Dy1 55.2(4) . . . 2_666 ?
O1 Dy1 O2 N1 -27.7(9) 2_666 . . . ?
O4 Dy1 O2 N1 104.1(9) . . . . ?
O7 Dy1 O2 N1 -109.1(9) . . . . ?
O1 Dy1 O2 N1 29.3(8) . . . . ?
O5 Dy1 O2 N1 170.1(9) . . . . ?
O6 Dy1 O2 N1 -151.6(7) . . . . ?
Dy1 Dy1 O2 N1 2.4(9) 2_666 . . . ?
O1 Dy1 O4 C17 -143.9(9) 2_666 . . . ?
O2 Dy1 O4 C17 82.9(9) . . . . ?
O7 Dy1 O4 C17 -28.3(11) . . . . ?
O1 Dy1 O4 C17 154.3(9) . . . . ?
O5 Dy1 O4 C17 14.9(9) . . . . ?
O6 Dy1 O4 C17 -67.0(9) . . . . ?
Dy1 Dy1 O4 C17 -176.4(9) 2_666 . . . ?
O1 Dy1 O5 C15 101.7(11) 2_666 . . . ?
O2 Dy1 O5 C15 -128.2(10) . . . . ?
O4 Dy1 O5 C15 -9.9(9) . . . . ?
O7 Dy1 O5 C15 146.1(10) . . . . ?
O1 Dy1 O5 C15 -71.2(10) . . . . ?
O6 Dy1 O5 C15 70.4(9) . . . . ?
Dy1 Dy1 O5 C15 -64.7(12) 2_666 . . . ?
O1 Dy1 O6 C20 -104.0(10) 2_666 . . . ?
O2 Dy1 O6 C20 27.2(13) . . . . ?
O4 Dy1 O6 C20 140.7(11) . . . . ?
O7 Dy1 O6 C20 -17.0(10) . . . . ?
O1 Dy1 O6 C20 -154.1(10) . . . . ?
O5 Dy1 O6 C20 65.2(10) . . . . ?
Dy1 Dy1 O6 C20 -125.1(10) 2_666 . . . ?
O1 Dy1 O7 C22 100.5(9) 2_666 . . . ?
O2 Dy1 O7 C22 -142.9(9) . . . . ?
O4 Dy1 O7 C22 -23.1(11) . . . . ?
O1 Dy1 O7 C22 153.3(8) . . . . ?
O5 Dy1 O7 C22 -64.9(9) . . . . ?
O6 Dy1 O7 C22 16.4(9) . . . . ?
Dy1 Dy1 O7 C22 122.6(9) 2_666 . . . ?
Dy1 O2 N1 C1 -69.4(13) . . . . ?
Dy1 O2 N1 C2 108.2(9) . . . . ?
Dy1 O2 N1 C2' 121.1(15) . . . . ?
O2 N1 C1 N2 -174.3(8) . . . . ?
C2 N1 C1 N2 7.9(12) . . . . ?
C2' N1 C1 N2 -3.6(16) . . . . ?
O2 N1 C1 C8 3.9(16) . . . . ?
C2 N1 C1 C8 -173.9(9) . . . . ?
C2' N1 C1 C8 174.6(14) . . . . ?
O3 N2 C1 N1 176.8(9) . . . . ?
C3 N2 C1 N1 8.9(12) . . . . ?
C3' N2 C1 N1 -11.2(16) . . . . ?
O3 N2 C1 C8 -1.5(17) . . . . ?
C3 N2 C1 C8 -169.4(9) . . . . ?
C3' N2 C1 C8 170.5(14) . . . . ?
O2 N1 C2 C5 41.0(14) . . . . ?
C1 N1 C2 C5 -141.0(11) . . . . ?
C2' N1 C2 C5 -65(7) . . . . ?
O2 N1 C2 C4 -77.3(12) . . . . ?
C1 N1 C2 C4 100.7(12) . . . . ?
C2' N1 C2 C4 177(8) . . . . ?
O2 N1 C2 C3 162.7(8) . . . . ?
C1 N1 C2 C3 -19.4(11) . . . . ?
C2' N1 C2 C3 57(7) . . . . ?
O3 N2 C3 C7 -70.4(14) . . . . ?
C1 N2 C3 C7 97.9(13) . . . . ?
C3' N2 C3 C7 -153(5) . . . . ?
O3 N2 C3 C6 49.1(14) . . . . ?
C1 N2 C3 C6 -142.5(11) . . . . ?
C3' N2 C3 C6 -34(4) . . . . ?
O3 N2 C3 C2 171.9(10) . . . . ?
C1 N2 C3 C2 -19.8(12) . . . . ?
C3' N2 C3 C2 89(5) . . . . ?
N1 C2 C3 N2 21.4(9) . . . . ?
C5 C2 C3 N2 140.0(14) . . . . ?
C4 C2 C3 N2 -93.0(14) . . . . ?
N1 C2 C3 C7 -93.4(14) . . . . ?
C5 C2 C3 C7 25(2) . . . . ?
C4 C2 C3 C7 152.2(12) . . . . ?
N1 C2 C3 C6 139.6(13) . . . . ?
C5 C2 C3 C6 -101.7(16) . . . . ?
C4 C2 C3 C6 25(2) . . . . ?
O2 N1 C2' C5' 71(3) . . . . ?
C1 N1 C2' C5' -100(2) . . . . ?
C2 N1 C2' C5' 152(9) . . . . ?
O2 N1 C2' C4' -44(3) . . . . ?
C1 N1 C2' C4' 145(2) . . . . ?
C2 N1 C2' C4' 37(6) . . . . ?
O2 N1 C2' C3' -172.1(16) . . . . ?
C1 N1 C2' C3' 17(2) . . . . ?
C2 N1 C2' C3' -91(7) . . . . ?
N1 C2' C3' C7' -116(4) . . . . ?
C5' C2' C3' C7' -4(7) . . . . ?
C4' C2' C3' C7' 121(4) . . . . ?
N1 C2' C3' C6' 83(4) . . . . ?
C5' C2' C3' C6' -165(4) . . . . ?
C4' C2' C3' C6' -40(6) . . . . ?
N1 C2' C3' N2 -19(2) . . . . ?
C5' C2' C3' N2 93(4) . . . . ?
C4' C2' C3' N2 -142(3) . . . . ?
O3 N2 C3' C7' -50(3) . . . . ?
C1 N2 C3' C7' 138(2) . . . . ?
C3 N2 C3' C7' 57(4) . . . . ?
O3 N2 C3' C6' 77(2) . . . . ?
C1 N2 C3' C6' -96(3) . . . . ?
C3 N2 C3' C6' -176(6) . . . . ?
O3 N2 C3' C2' -168.5(14) . . . . ?
C1 N2 C3' C2' 19(2) . . . . ?
C3 N2 C3' C2' -62(5) . . . . ?
N1 C1 C8 C13 -130.4(12) . . . . ?
N2 C1 C8 C13 47.6(16) . . . . ?
N1 C1 C8 C9 47.4(15) . . . . ?
N2 C1 C8 C9 -134.7(10) . . . . ?
Dy1 O1 C9 C10 -73.5(13) 2_666 . . . ?
Dy1 O1 C9 C10 97.5(11) . . . . ?
Dy1 O1 C9 C8 101.2(10) 2_666 . . . ?
Dy1 O1 C9 C8 -87.9(10) . . . . ?
C13 C8 C9 C10 -1.0(17) . . . . ?
C1 C8 C9 C10 -178.7(10) . . . . ?
C13 C8 C9 O1 -175.9(10) . . . . ?
C1 C8 C9 O1 6.3(15) . . . . ?
O1 C9 C10 C11 174.9(9) . . . . ?
C8 C9 C10 C11 0.0(16) . . . . ?
C9 C10 C11 C12 0.4(17) . . . . ?
C10 C11 C12 C13 0.2(16) . . . . ?
C9 C8 C13 C12 1.6(18) . . . . ?
C1 C8 C13 C12 179.3(10) . . . . ?
C11 C12 C13 C8 -1.2(17) . . . . ?
Dy1 O5 C15 C16 5.9(18) . . . . ?
Dy1 O5 C15 C14 -173.6(6) . . . . ?
O5 C15 C16 C17 0.9(19) . . . . ?
C14 C15 C16 C17 -179.6(9) . . . . ?
Dy1 O4 C17 C16 -15.6(18) . . . . ?
Dy1 O4 C17 C18 170.5(5) . . . . ?
C15 C16 C17 O4 4(2) . . . . ?
C15 C16 C17 C18 177.6(9) . . . . ?
Dy1 O6 C20 C21 14(2) . . . . ?
Dy1 O6 C20 C19 -161.7(6) . . . . ?
O6 C20 C21 C22 -1(2) . . . . ?
C19 C20 C21 C22 175.2(9) . . . . ?
Dy1 O7 C22 C21 -13.0(18) . . . . ?
Dy1 O7 C22 C23 173.4(5) . . . . ?
C20 C21 C22 O7 0.0(19) . . . . ?
C20 C21 C22 C23 173.5(9) . . . . ?
O5 C15 C14 F1 -14.8(14) . . . . ?
C16 C15 C14 F1 165.7(12) . . . . ?
O5 C15 C14 F2' 169.2(18) . . . . ?
C16 C15 C14 F2' -10(2) . . . . ?
O5 C15 C14 F3 -136.2(12) . . . . ?
C16 C15 C14 F3 44.2(14) . . . . ?
O5 C15 C14 F1' 45(2) . . . . ?
C16 C15 C14 F1' -134.9(19) . . . . ?
O5 C15 C14 F2 106.1(12) . . . . ?
C16 C15 C14 F2 -73.4(14) . . . . ?
O5 C15 C14 F3' -70.1(19) . . . . ?
C16 C15 C14 F3' 110.3(19) . . . . ?
O4 C17 C18 F5' 142.7(16) . . . . ?
C16 C17 C18 F5' -32.0(17) . . . . ?
O4 C17 C18 F4' -98.7(14) . . . . ?
C16 C17 C18 F4' 86.7(15) . . . . ?
O4 C17 C18 F4 -68.3(11) . . . . ?
C16 C17 C18 F4 117.1(10) . . . . ?
O4 C17 C18 F6' 18.5(16) . . . . ?
C16 C17 C18 F6' -156.2(14) . . . . ?
O4 C17 C18 F6 50.8(11) . . . . ?
C16 C17 C18 F6 -123.8(10) . . . . ?
O4 C17 C18 F5 172.1(9) . . . . ?
C16 C17 C18 F5 -2.6(13) . . . . ?
O6 C20 C19 F8 117.4(11) . . . . ?
C21 C20 C19 F8 -59.1(12) . . . . ?
O6 C20 C19 F7' -53.6(18) . . . . ?
C21 C20 C19 F7' 129.8(16) . . . . ?
O6 C20 C19 F7 -7.0(13) . . . . ?
C21 C20 C19 F7 176.5(9) . . . . ?
O6 C20 C19 F9' 174.0(15) . . . . ?
C21 C20 C19 F9' -2.5(17) . . . . ?
O6 C20 C19 F8' 60.4(16) . . . . ?
C21 C20 C19 F8' -116.1(15) . . . . ?
O6 C20 C19 F9 -123.7(11) . . . . ?
C21 C20 C19 F9 59.8(11) . . . . ?
O7 C22 C23 F12' -79.2(15) . . . . ?
C21 C22 C23 F12' 106.3(14) . . . . ?
O7 C22 C23 F11' 39.3(17) . . . . ?
C21 C22 C23 F11' -135.2(15) . . . . ?
O7 C22 C23 F10 -161.8(9) . . . . ?
C21 C22 C23 F10 23.7(12) . . . . ?
O7 C22 C23 F10' 164.8(15) . . . . ?
C21 C22 C23 F10' -9.7(17) . . . . ?
O7 C22 C23 F11 76.6(11) . . . . ?
C21 C22 C23 F11 -97.9(11) . . . . ?
O7 C22 C23 F12 -41.9(12) . . . . ?
C21 C22 C23 F12 143.6(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         2.686
_refine_diff_density_min         -3.359
_refine_diff_density_rms         0.199

#===END

data_complex2
_database_code_depnum_ccdc_archive 'CCDC 871245'
#TrackingRef '- cif file for complexes 1 and 2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H34 Br2 Dy2 F24 N4 O14'
_chemical_formula_weight         1807.59

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   11.842(2)
_cell_length_b                   12.447(3)
_cell_length_c                   12.678(3)
_cell_angle_alpha                67.44(3)
_cell_angle_beta                 72.97(3)
_cell_angle_gamma                63.64(3)
_cell_volume                     1529.2(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    5196
_cell_measurement_theta_min      1.9117
_cell_measurement_theta_max      28.2858

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             868
_exptl_absorpt_coefficient_mu    3.866
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8160
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            15005
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         27.94
_reflns_number_total             7204
_reflns_number_gt                6342
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
DFIX 2.35 0.01 C9 C12'
SADI 0.01 C15 F1 C15 F2 C15 F3 C15 F1' C15 F2' C15 F3' C18 F4 C18 F5 C18 F6 =
C18 F5' C18 F6' C18 F4' C19 F7 C19 F8 C19 F9 C19 F7' C19 F8' C19 F9' C23 F10 =
C23 F11 C23 F12 C23 F10' C23 F11' C23 F12'
SADI 0.01 F1 F2 F1 F3 F2 F3 F1' F2' F1' F3' F2' F3' F4 F5 F4 F6 F5 F6 F4' =
F5' F4' F6' F5' F6' F7 F8 F7 F9 F8 F9 F7' F8' F7' F9' F8' F9' F10 F11 F10 =
F12 F11 F12 F10' F11' F10' F12' F11' F12'
SADI 0.01 C9 C10 C9 C11 C9' C10' C9' C11' C8 C12 C8 C13 C8' C12' C8' C13'
DELU 0.001 0.001 O1 N2
SIMU 0.02 0.04 3.8 C8 C9 C10 C11 C12 C13 C8' C9' C10' C11' C12' C13'
SIMU 0.02 0.04 3.8 C15 F1 F2 F3 F1' F2' F3'
SIMU 0.02 0.04 3.8 C18 C18' F4 F5 F6 C18' F4' F5' F6'
SIMU 0.02 0.04 3.8 C19 F7 F8 F9 F7' F8' F9'
SIMU 0.02 0.04 3.8 C23 F10 F11 F12 F10' F11' F12'
ISOR 0.01 0.02 F4' O1 F2' F6' F11'
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0843P)^2^+3.8700P] where P=(Fo^2^+2Fc^2^)/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       0.0145(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         7204
_refine_ls_number_parameters     596
_refine_ls_number_restraints     1542
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0560
_refine_ls_wR_factor_ref         0.1458
_refine_ls_wR_factor_gt          0.1387
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      0.971
_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 0.58427(2) 0.36438(2) 0.12175(2) 0.02557(13) Uani 1 1 d . . .
Br1 Br 0.99982(7) 0.73844(8) -0.10035(8) 0.0523(2) Uani 1 1 d . . .
O1 O 0.9342(9) 0.5234(8) -0.3368(7) 0.104(3) Uani 1 1 d U A .
O2 O 0.7631(4) 0.2956(4) 0.0054(4) 0.0316(9) Uani 1 1 d . A .
O3 O 0.5904(4) 0.5451(4) -0.0288(3) 0.0265(8) Uani 1 1 d . . .
O4 O 0.5918(4) 0.4809(4) 0.2208(4) 0.0356(10) Uani 1 1 d . . .
O5 O 0.7185(4) 0.2211(4) 0.2604(4) 0.0349(10) Uani 1 1 d . . .
O6 O 0.4368(4) 0.3252(4) 0.2827(4) 0.0372(10) Uani 1 1 d . . .
O7 O 0.5751(4) 0.1797(4) 0.1307(4) 0.0323(9) Uani 1 1 d . . .
N1 N 0.8085(5) 0.3337(5) -0.1045(4) 0.0299(11) Uani 1 1 d . . .
N2 N 0.8958(6) 0.4348(6) -0.2643(5) 0.0426(13) Uani 1 1 d U . .
C1 C 0.8711(6) 0.6769(6) -0.0796(6) 0.0374(15) Uani 1 1 d . . .
C2 C 0.7538(6) 0.7257(6) -0.0148(6) 0.0364(14) Uani 1 1 d . . .
H2 H 0.7380 0.7892 0.0177 0.044 Uiso 1 1 calc R . .
C3 C 0.6610(6) 0.6802(6) 0.0013(6) 0.0330(13) Uani 1 1 d . . .
H3 H 0.5806 0.7142 0.0448 0.040 Uiso 1 1 calc R . .
C4 C 0.6808(6) 0.5860(5) -0.0438(5) 0.0283(12) Uani 1 1 d . A .
C5 C 0.8038(6) 0.5382(6) -0.1104(5) 0.0286(12) Uani 1 1 d . . .
C6 C 0.8961(6) 0.5859(6) -0.1269(6) 0.0379(15) Uani 1 1 d . A .
H6 H 0.9768 0.5548 -0.1713 0.046 Uiso 1 1 calc R . .
C7 C 0.8323(5) 0.4367(6) -0.1555(5) 0.0295(13) Uani 1 1 d . A .
C8 C 0.9352(8) 0.3130(10) -0.2818(7) 0.033(2) Uani 0.714(6) 1 d PDU A 1
C9 C 0.8401(9) 0.2615(9) -0.1839(12) 0.035(2) Uani 0.714(6) 1 d PDU A 1
C10 C 0.7167(9) 0.2976(12) -0.2266(10) 0.051(3) Uani 0.714(6) 1 d PDU A 1
H10A H 0.6513 0.2842 -0.1602 0.076 Uiso 0.714(6) 1 calc PR A 1
H10B H 0.7317 0.2456 -0.2747 0.076 Uiso 0.714(6) 1 calc PR A 1
H10C H 0.6877 0.3863 -0.2722 0.076 Uiso 0.714(6) 1 calc PR A 1
C11 C 0.8946(12) 0.1221(9) -0.1245(9) 0.053(3) Uani 0.714(6) 1 d PDU A 1
H11A H 0.8262 0.0951 -0.0727 0.079 Uiso 0.714(6) 1 calc PR A 1
H11B H 0.9592 0.1038 -0.0796 0.079 Uiso 0.714(6) 1 calc PR A 1
H11C H 0.9338 0.0769 -0.1826 0.079 Uiso 0.714(6) 1 calc PR A 1
C12 C 0.9247(12) 0.3327(12) -0.4050(8) 0.050(3) Uani 0.714(6) 1 d PDU A 1
H12A H 0.9865 0.3683 -0.4587 0.075 Uiso 0.714(6) 1 calc PR A 1
H12B H 0.8384 0.3904 -0.4211 0.075 Uiso 0.714(6) 1 calc PR A 1
H12C H 0.9425 0.2519 -0.4147 0.075 Uiso 0.714(6) 1 calc PR A 1
C13 C 1.0729(8) 0.2425(10) -0.2592(9) 0.047(2) Uani 0.714(6) 1 d PDU A 1
H13A H 1.1246 0.2907 -0.3121 0.071 Uiso 0.714(6) 1 calc PR A 1
H13B H 1.1061 0.1601 -0.2717 0.071 Uiso 0.714(6) 1 calc PR A 1
H13C H 1.0767 0.2313 -0.1793 0.071 Uiso 0.714(6) 1 calc PR A 1
C8' C 0.8800(19) 0.326(3) -0.292(2) 0.045(5) Uani 0.286(6) 1 d PDU A 2
C9' C 0.869(2) 0.233(3) -0.176(4) 0.039(5) Uani 0.286(6) 1 d PDU A 2
C10' C 0.775(3) 0.172(3) -0.154(2) 0.048(5) Uani 0.286(6) 1 d PDU A 2
H10D H 0.7879 0.1412 -0.2185 0.072 Uiso 0.286(6) 1 calc PR A 2
H10E H 0.6876 0.2340 -0.1455 0.072 Uiso 0.286(6) 1 calc PR A 2
H10F H 0.7873 0.1017 -0.0825 0.072 Uiso 0.286(6) 1 calc PR A 2
C11' C 0.991(2) 0.143(2) -0.124(2) 0.051(6) Uani 0.286(6) 1 d PDU A 2
H11D H 1.0286 0.0685 -0.1516 0.076 Uiso 0.286(6) 1 calc PR A 2
H11E H 0.9706 0.1173 -0.0400 0.076 Uiso 0.286(6) 1 calc PR A 2
H11F H 1.0515 0.1845 -0.1482 0.076 Uiso 0.286(6) 1 calc PR A 2
C12' C 0.768(3) 0.395(3) -0.3591(17) 0.058(6) Uani 0.286(6) 1 d PDU A 2
H12D H 0.7464 0.3339 -0.3716 0.087 Uiso 0.286(6) 1 calc PR A 2
H12E H 0.7911 0.4503 -0.4339 0.087 Uiso 0.286(6) 1 calc PR A 2
H12F H 0.6944 0.4454 -0.3152 0.087 Uiso 0.286(6) 1 calc PR A 2
C13' C 0.995(3) 0.267(3) -0.372(3) 0.065(7) Uani 0.286(6) 1 d PDU A 2
H13D H 0.9773 0.2112 -0.3972 0.097 Uiso 0.286(6) 1 calc PR A 2
H13E H 1.0692 0.2175 -0.3307 0.097 Uiso 0.286(6) 1 calc PR A 2
H13F H 1.0134 0.3323 -0.4394 0.097 Uiso 0.286(6) 1 calc PR A 2
C14 C 0.5223(7) 0.1075(6) 0.2028(6) 0.0394(15) Uani 1 1 d . A .
C15 C 0.5520(6) -0.0102(6) 0.1718(6) 0.060(2) Uani 1 1 d DU . .
C16 C 0.4436(8) 0.1226(7) 0.3053(7) 0.052(2) Uani 1 1 d . . .
H16 H 0.4119 0.0590 0.3541 0.062 Uiso 1 1 calc R A .
C17 C 0.4091(7) 0.2293(7) 0.3395(6) 0.0435(17) Uani 1 1 d . A .
C19 C 0.8318(7) 0.1080(6) 0.4188(6) 0.061(2) Uani 1 1 d DU . .
C20 C 0.7473(7) 0.2314(6) 0.3417(6) 0.0371(14) Uani 1 1 d . A .
C21 C 0.7163(8) 0.3397(7) 0.3683(7) 0.050(2) Uani 1 1 d . . .
H21 H 0.7491 0.3338 0.4312 0.060 Uiso 1 1 calc R A .
C22 C 0.6402(7) 0.4553(7) 0.3081(6) 0.0403(15) Uani 1 1 d . A .
C23 C 0.6181(6) 0.5687(6) 0.3433(5) 0.059(2) Uani 1 1 d DU . .
F1 F 0.6625(7) -0.0956(9) 0.2019(8) 0.076(3) Uani 0.714(6) 1 d PDU A 1
F2 F 0.5609(10) 0.0148(9) 0.0596(6) 0.095(3) Uani 0.714(6) 1 d PDU A 1
F3 F 0.4668(8) -0.0616(10) 0.2226(10) 0.099(4) Uani 0.714(6) 1 d PDU A 1
F1' F 0.6165(19) -0.1094(17) 0.2482(16) 0.088(7) Uani 0.286(6) 1 d PDU A 2
F2' F 0.6200(19) -0.014(2) 0.0693(11) 0.082(6) Uani 0.286(6) 1 d PDU A 2
F3' F 0.4462(14) -0.022(2) 0.1747(19) 0.076(6) Uani 0.286(6) 1 d PDU A 2
C18 C 0.3467(7) 0.2297(6) 0.4632(7) 0.061(3) Uani 0.714(6) 1 d PDU A 1
F4 F 0.4342(8) 0.1952(9) 0.5301(7) 0.110(4) Uani 0.714(6) 1 d PDU A 1
F5 F 0.2672(6) 0.3414(6) 0.4738(5) 0.0547(18) Uani 0.714(6) 1 d PDU A 1
F6 F 0.2870(10) 0.1521(8) 0.5150(10) 0.109(4) Uani 0.714(6) 1 d PDU A 1
C18' C 0.191(2) 0.246(3) 0.431(3) 0.047(5) Uani 0.286(6) 1 d PU A 2
F4' F 0.2320(12) 0.3062(17) 0.4397(18) 0.122(8) Uani 0.286(6) 1 d PDU A 2
F5' F 0.381(2) 0.268(2) 0.5266(18) 0.131(8) Uani 0.286(6) 1 d PDU A 2
F6' F 0.343(2) 0.1183(11) 0.5218(18) 0.072(6) Uani 0.286(6) 1 d PDU A 2
F7 F 0.9206(10) 0.1250(9) 0.4471(10) 0.104(4) Uani 0.714(6) 1 d PDU A 2
F8 F 0.7648(10) 0.0648(10) 0.5144(7) 0.120(5) Uani 0.714(6) 1 d PDU A 2
F9 F 0.8930(8) 0.0195(9) 0.3672(9) 0.075(3) Uani 0.714(6) 1 d PDU A 2
F7' F 0.865(2) 0.118(2) 0.5036(15) 0.080(6) Uani 0.286(6) 1 d PDU A 1
F8' F 0.757(2) 0.043(2) 0.4663(19) 0.099(7) Uani 0.286(6) 1 d PDU A 1
F9' F 0.9335(16) 0.042(2) 0.362(2) 0.090(9) Uani 0.286(6) 1 d PDU A 1
F10 F 0.7053(8) 0.6169(10) 0.2877(8) 0.078(3) Uani 0.714(6) 1 d PDU A 1
F11 F 0.5058(7) 0.6591(9) 0.3264(8) 0.079(3) Uani 0.714(6) 1 d PDU A 1
F12 F 0.6237(9) 0.5367(8) 0.4551(5) 0.071(3) Uani 0.714(6) 1 d PDU A 1
F10' F 0.7293(14) 0.580(2) 0.321(2) 0.076(6) Uani 0.286(6) 1 d PDU A 2
F11' F 0.5419(17) 0.6726(17) 0.2792(16) 0.072(6) Uani 0.286(6) 1 d PDU A 2
F12' F 0.573(2) 0.565(2) 0.4517(8) 0.094(8) Uani 0.286(6) 1 d PDU A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.02444(18) 0.02403(17) 0.02979(18) -0.00806(11) -0.00583(11) -0.00922(12)
Br1 0.0412(4) 0.0507(5) 0.0735(5) -0.0056(4) -0.0159(4) -0.0307(4)
O1 0.126(7) 0.091(6) 0.083(5) 0.002(4) 0.003(5) -0.065(5)
O2 0.024(2) 0.031(2) 0.036(2) -0.0113(18) 0.0006(17) -0.0082(17)
O3 0.0205(18) 0.024(2) 0.033(2) -0.0101(16) -0.0086(16) -0.0028(15)
O4 0.045(3) 0.028(2) 0.041(2) -0.0123(19) -0.015(2) -0.013(2)
O5 0.036(2) 0.027(2) 0.040(2) -0.0077(18) -0.0168(19) -0.0059(18)
O6 0.038(2) 0.030(2) 0.037(2) -0.0114(19) 0.0013(19) -0.0106(19)
O7 0.032(2) 0.024(2) 0.041(2) -0.0110(18) -0.0105(18) -0.0069(18)
N1 0.023(2) 0.029(3) 0.035(3) -0.010(2) -0.001(2) -0.009(2)
N2 0.040(3) 0.045(3) 0.033(3) -0.016(2) 0.003(2) -0.008(3)
C1 0.030(3) 0.034(3) 0.049(4) -0.003(3) -0.013(3) -0.016(3)
C2 0.040(4) 0.030(3) 0.046(4) -0.009(3) -0.016(3) -0.015(3)
C3 0.030(3) 0.029(3) 0.043(3) -0.012(3) -0.008(3) -0.010(2)
C4 0.031(3) 0.023(3) 0.029(3) -0.005(2) -0.007(2) -0.010(2)
C5 0.025(3) 0.030(3) 0.035(3) -0.005(2) -0.013(2) -0.013(2)
C6 0.029(3) 0.038(4) 0.043(3) -0.007(3) -0.007(3) -0.013(3)
C7 0.017(2) 0.033(3) 0.033(3) -0.007(2) -0.004(2) -0.007(2)
C8 0.035(5) 0.034(4) 0.037(4) -0.020(3) 0.000(4) -0.015(4)
C9 0.028(5) 0.035(5) 0.045(5) -0.023(5) 0.003(4) -0.011(4)
C10 0.041(5) 0.067(6) 0.059(6) -0.036(5) -0.005(4) -0.020(5)
C11 0.066(6) 0.039(5) 0.046(5) -0.022(4) 0.006(5) -0.014(5)
C12 0.060(6) 0.056(6) 0.036(5) -0.020(4) -0.007(4) -0.018(5)
C13 0.039(5) 0.046(5) 0.051(5) -0.018(4) 0.001(4) -0.014(4)
C8' 0.050(9) 0.045(8) 0.043(8) -0.016(7) -0.001(8) -0.022(8)
C9' 0.047(9) 0.032(8) 0.043(8) -0.018(7) 0.006(8) -0.020(7)
C10' 0.058(10) 0.043(9) 0.055(9) -0.020(8) 0.003(9) -0.031(8)
C11' 0.053(10) 0.036(9) 0.050(10) -0.017(8) 0.010(9) -0.012(8)
C12' 0.063(11) 0.049(10) 0.051(10) -0.019(9) -0.007(9) -0.009(9)
C13' 0.066(11) 0.049(10) 0.053(10) -0.019(9) 0.013(9) -0.010(9)
C14 0.050(4) 0.022(3) 0.046(4) -0.006(3) -0.017(3) -0.011(3)
C15 0.082(6) 0.027(4) 0.077(6) -0.014(4) -0.024(5) -0.018(4)
C16 0.057(5) 0.037(4) 0.052(4) -0.001(3) 0.005(4) -0.027(4)
C17 0.045(4) 0.033(4) 0.041(4) -0.002(3) 0.002(3) -0.016(3)
C19 0.089(6) 0.033(4) 0.060(5) -0.009(3) -0.047(5) -0.003(4)
C20 0.042(4) 0.035(3) 0.035(3) -0.006(3) -0.017(3) -0.012(3)
C21 0.065(5) 0.039(4) 0.055(4) -0.020(3) -0.036(4) -0.007(4)
C22 0.052(4) 0.039(4) 0.043(4) -0.017(3) -0.015(3) -0.018(3)
C23 0.082(6) 0.046(4) 0.065(5) -0.020(4) -0.041(5) -0.017(4)
F1 0.088(6) 0.040(4) 0.095(6) -0.033(4) -0.023(5) -0.003(4)
F2 0.167(9) 0.046(5) 0.094(6) -0.027(4) -0.073(6) -0.020(6)
F3 0.120(7) 0.054(6) 0.149(9) -0.029(6) -0.016(7) -0.057(6)
F1' 0.119(13) 0.024(8) 0.117(13) -0.011(10) -0.062(11) -0.004(10)
F2' 0.108(11) 0.041(9) 0.100(11) -0.038(8) 0.002(9) -0.027(9)
F3' 0.102(11) 0.048(11) 0.100(12) -0.017(9) -0.057(10) -0.024(9)
C18 0.075(7) 0.040(5) 0.032(5) 0.004(4) 0.024(5) -0.022(5)
F4 0.144(8) 0.076(6) 0.048(4) -0.020(4) -0.021(5) 0.016(6)
F5 0.060(4) 0.071(4) 0.042(3) -0.030(3) 0.006(3) -0.030(3)
F6 0.127(9) 0.112(8) 0.086(7) -0.030(6) 0.048(7) -0.082(7)
C18' 0.034(9) 0.074(11) 0.060(10) -0.055(9) 0.027(8) -0.034(9)
F4' 0.111(11) 0.104(11) 0.074(10) -0.007(9) 0.036(9) -0.022(10)
F5' 0.129(11) 0.088(10) 0.088(10) -0.016(9) 0.037(10) -0.008(10)
F6' 0.079(9) 0.054(8) 0.036(7) 0.007(6) 0.007(7) -0.012(7)
F7 0.130(8) 0.053(5) 0.134(8) -0.015(6) -0.108(7) 0.004(5)
F8 0.165(9) 0.060(6) 0.052(5) 0.017(5) -0.019(6) 0.000(6)
F9 0.084(6) 0.037(4) 0.100(6) -0.029(4) -0.061(5) 0.018(4)
F7' 0.139(14) 0.043(9) 0.055(9) -0.003(8) -0.067(10) -0.010(10)
F8' 0.142(13) 0.048(10) 0.080(13) 0.023(10) -0.040(12) -0.034(10)
F9' 0.101(14) 0.045(11) 0.085(11) -0.008(9) -0.045(11) 0.017(11)
F10 0.118(7) 0.048(6) 0.091(7) -0.016(5) -0.036(5) -0.042(5)
F11 0.099(6) 0.048(5) 0.104(7) -0.049(5) -0.051(6) 0.005(4)
F12 0.102(6) 0.050(5) 0.079(5) -0.040(4) -0.044(4) -0.007(5)
F10' 0.097(12) 0.040(11) 0.101(13) -0.022(10) -0.037(10) -0.020(9)
F11' 0.106(11) 0.047(9) 0.085(11) -0.042(8) -0.030(9) -0.018(8)
F12' 0.111(14) 0.053(11) 0.092(12) -0.039(9) 0.001(11) -0.002(11)

_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 O2 2.219(4) . ?
Dy1 O4 2.295(4) . ?
Dy1 O3 2.297(4) 2_665 ?
Dy1 O7 2.308(4) . ?
Dy1 O6 2.315(4) . ?
Dy1 O3 2.340(4) . ?
Dy1 O5 2.347(4) . ?
Dy1 Dy1 3.8132(19) 2_665 ?
Br1 C1 1.904(6) . ?
O1 N2 1.300(9) . ?
O2 N1 1.318(6) . ?
O3 C4 1.316(7) . ?
O3 Dy1 2.297(4) 2_665 ?
O4 C22 1.263(8) . ?
O5 C20 1.243(7) . ?
O6 C17 1.265(8) . ?
O7 C14 1.251(8) . ?
N1 C7 1.312(8) . ?
N1 C9 1.460(15) . ?
N1 C9' 1.62(4) . ?
N2 C7 1.367(8) . ?
N2 C8 1.461(12) . ?
N2 C8' 1.61(3) . ?
C1 C6 1.361(10) . ?
C1 C2 1.392(10) . ?
C2 C3 1.380(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.444(8) . ?
C5 C6 1.392(9) . ?
C5 C7 1.449(9) . ?
C6 H6 0.9500 . ?
C8 C12 1.520(8) . ?
C8 C13 1.524(8) . ?
C8 C9 1.559(17) . ?
C9 C11 1.511(8) . ?
C9 C10 1.525(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C8' C9' 1.49(5) . ?
C8' C13' 1.521(9) . ?
C8' C12' 1.521(9) . ?
C9' C11' 1.522(9) . ?
C9' C10' 1.522(9) . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C13' H13D 0.9800 . ?
C13' H13E 0.9800 . ?
C13' H13F 0.9800 . ?
C14 C16 1.385(11) . ?
C14 C15 1.526(9) . ?
C15 F3' 1.310(7) . ?
C15 F3 1.311(6) . ?
C15 F1' 1.313(7) . ?
C15 F2 1.316(6) . ?
C15 F1 1.317(6) . ?
C15 F2' 1.319(7) . ?
C16 C17 1.404(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.527(10) . ?
C19 F8 1.305(6) . ?
C19 F9' 1.305(7) . ?
C19 F7' 1.311(7) . ?
C19 F9 1.316(6) . ?
C19 F8' 1.321(7) . ?
C19 F7 1.326(6) . ?
C19 C20 1.540(9) . ?
C20 C21 1.379(10) . ?
C21 C22 1.369(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.532(9) . ?
C23 F12' 1.311(7) . ?
C23 F10 1.313(6) . ?
C23 F11 1.317(6) . ?
C23 F11' 1.317(7) . ?
C23 F10' 1.319(7) . ?
C23 F12 1.330(6) . ?
C18 F6 1.309(6) . ?
C18 F5 1.320(6) . ?
C18 F4 1.347(7) . ?
C18' F4' 1.10(3) . ?

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
O2 Dy1 O4 113.95(17) . . ?
O2 Dy1 O3 111.27(15) . 2_665 ?
O4 Dy1 O3 114.92(15) . 2_665 ?
O2 Dy1 O7 80.67(16) . . ?
O4 Dy1 O7 147.08(16) . . ?
O3 Dy1 O7 83.34(15) 2_665 . ?
O2 Dy1 O6 150.28(16) . . ?
O4 Dy1 O6 80.62(17) . . ?
O3 Dy1 O6 82.44(15) 2_665 . ?
O7 Dy1 O6 74.75(16) . . ?
O2 Dy1 O3 75.85(15) . . ?
O4 Dy1 O3 79.18(15) . . ?
O3 Dy1 O3 69.36(17) 2_665 . ?
O7 Dy1 O3 133.74(14) . . ?
O6 Dy1 O3 133.67(15) . . ?
O2 Dy1 O5 80.54(16) . . ?
O4 Dy1 O5 74.24(16) . . ?
O3 Dy1 O5 157.55(16) 2_665 . ?
O7 Dy1 O5 79.80(15) . . ?
O6 Dy1 O5 78.91(16) . . ?
O3 Dy1 O5 133.04(15) . . ?
O2 Dy1 Dy1 93.92(11) . 2_665 ?
O4 Dy1 Dy1 97.97(11) . 2_665 ?
O3 Dy1 Dy1 35.05(11) 2_665 2_665 ?
O7 Dy1 Dy1 110.76(11) . 2_665 ?
O6 Dy1 Dy1 110.15(12) . 2_665 ?
O3 Dy1 Dy1 34.31(9) . 2_665 ?
O5 Dy1 Dy1 167.30(11) . 2_665 ?
N1 O2 Dy1 136.5(3) . . ?
C4 O3 Dy1 129.3(3) . 2_665 ?
C4 O3 Dy1 119.8(3) . . ?
Dy1 O3 Dy1 110.64(17) 2_665 . ?
C22 O4 Dy1 134.7(4) . . ?
C20 O5 Dy1 132.8(4) . . ?
C17 O6 Dy1 132.7(4) . . ?
C14 O7 Dy1 134.4(4) . . ?
C7 N1 O2 125.6(5) . . ?
C7 N1 C9 112.1(6) . . ?
O2 N1 C9 122.3(6) . . ?
C7 N1 C9' 115.4(12) . . ?
O2 N1 C9' 117.5(12) . . ?
C9 N1 C9' 12.7(11) . . ?
O1 N2 C7 123.7(7) . . ?
O1 N2 C8 123.5(7) . . ?
C7 N2 C8 112.0(6) . . ?
O1 N2 C8' 127.8(11) . . ?
C7 N2 C8' 106.9(10) . . ?
C8 N2 C8' 23.3(7) . . ?
C6 C1 C2 121.7(6) . . ?
C6 C1 Br1 119.6(5) . . ?
C2 C1 Br1 118.8(5) . . ?
C3 C2 C1 118.8(6) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 122.4(6) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
O3 C4 C3 121.5(5) . . ?
O3 C4 C5 121.6(5) . . ?
C3 C4 C5 116.9(6) . . ?
C6 C5 C4 120.1(6) . . ?
C6 C5 C7 120.3(6) . . ?
C4 C5 C7 119.6(5) . . ?
C1 C6 C5 120.2(6) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
N1 C7 N2 108.5(6) . . ?
N1 C7 C5 129.1(5) . . ?
N2 C7 C5 122.3(6) . . ?
N2 C8 C12 109.3(8) . . ?
N2 C8 C13 105.4(7) . . ?
C12 C8 C13 111.3(8) . . ?
N2 C8 C9 99.4(7) . . ?
C12 C8 C9 116.9(8) . . ?
C13 C8 C9 113.2(8) . . ?
N1 C9 C11 111.3(9) . . ?
N1 C9 C10 106.6(8) . . ?
C11 C9 C10 110.6(10) . . ?
N1 C9 C8 101.8(7) . . ?
C11 C9 C8 114.5(9) . . ?
C10 C9 C8 111.5(9) . . ?
C9' C8' C13' 111(2) . . ?
C9' C8' C12' 119(2) . . ?
C13' C8' C12' 107(2) . . ?
C9' C8' N2 104(2) . . ?
C13' C8' N2 111(2) . . ?
C12' C8' N2 105(2) . . ?
C8' C9' C11' 118(2) . . ?
C8' C9' C10' 117(3) . . ?
C11' C9' C10' 113(2) . . ?
C8' C9' N1 95.3(19) . . ?
C11' C9' N1 102(2) . . ?
C10' C9' N1 108(2) . . ?
C9' C10' H10D 109.5 . . ?
C9' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C9' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C9' C11' H11D 109.5 . . ?
C9' C11' H11E 109.5 . . ?
H11D C11' H11E 109.5 . . ?
C9' C11' H11F 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C8' C12' H12D 109.5 . . ?
C8' C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
C8' C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C8' C13' H13D 109.5 . . ?
C8' C13' H13E 109.5 . . ?
H13D C13' H13E 109.5 . . ?
C8' C13' H13F 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
O7 C14 C16 127.4(7) . . ?
O7 C14 C15 114.5(6) . . ?
C16 C14 C15 118.1(6) . . ?
F3' C15 F3 28.7(9) . . ?
F3' C15 F1' 107.8(8) . . ?
F3 C15 F1' 80.2(10) . . ?
F3' C15 F2 83.5(11) . . ?
F3 C15 F2 107.7(6) . . ?
F1' C15 F2 131.0(13) . . ?
F3' C15 F1 130.8(12) . . ?
F3 C15 F1 107.3(6) . . ?
F1' C15 F1 30.8(10) . . ?
F2 C15 F1 107.2(6) . . ?
F3' C15 F2' 107.5(8) . . ?
F3 C15 F2' 124.8(15) . . ?
F1' C15 F2' 107.1(7) . . ?
F2 C15 F2' 28.7(10) . . ?
F1 C15 F2' 79.6(10) . . ?
F3' C15 C14 110.2(12) . . ?
F3 C15 C14 113.6(7) . . ?
F1' C15 C14 109.2(13) . . ?
F2 C15 C14 110.8(7) . . ?
F1 C15 C14 109.9(7) . . ?
F2' C15 C14 114.7(12) . . ?
C14 C16 C17 121.9(7) . . ?
C14 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
O6 C17 C16 127.3(7) . . ?
O6 C17 C18 112.3(6) . . ?
C16 C17 C18 119.9(6) . . ?
F8 C19 F9' 126.9(16) . . ?
F8 C19 F7' 72.6(9) . . ?
F9' C19 F7' 108.7(8) . . ?
F8 C19 F9 107.9(6) . . ?
F9' C19 F9 28.0(12) . . ?
F7' C19 F9 126.9(13) . . ?
F8 C19 F8' 35.2(9) . . ?
F9' C19 F8' 107.5(7) . . ?
F7' C19 F8' 106.9(7) . . ?
F9 C19 F8' 81.1(13) . . ?
F8 C19 F7 107.6(6) . . ?
F9' C19 F7 79.9(12) . . ?
F7' C19 F7 36.4(10) . . ?
F9 C19 F7 106.0(6) . . ?
F8' C19 F7 138.7(11) . . ?
F8 C19 C20 111.4(7) . . ?
F9' C19 C20 114.3(14) . . ?
F7' C19 C20 116.0(11) . . ?
F9 C19 C20 112.7(7) . . ?
F8' C19 C20 102.8(12) . . ?
F7 C19 C20 110.9(6) . . ?
O5 C20 C21 127.9(6) . . ?
O5 C20 C19 115.2(6) . . ?
C21 C20 C19 116.8(6) . . ?
C22 C21 C20 122.8(6) . . ?
C22 C21 H21 118.6 . . ?
C20 C21 H21 118.6 . . ?
O4 C22 C21 127.1(6) . . ?
O4 C22 C23 115.3(6) . . ?
C21 C22 C23 117.5(6) . . ?
F12' C23 F10 119.8(18) . . ?
F12' C23 F11 82.7(10) . . ?
F10 C23 F11 107.9(6) . . ?
F12' C23 F11' 107.7(8) . . ?
F10 C23 F11' 84.3(11) . . ?
F11 C23 F11' 28.0(10) . . ?
F12' C23 F10' 107.2(8) . . ?
F10 C23 F10' 22.9(11) . . ?
F11 C23 F10' 127.9(14) . . ?
F11' C23 F10' 106.7(8) . . ?
F12' C23 F12 23.9(11) . . ?
F10 C23 F12 106.2(6) . . ?
F11 C23 F12 106.0(6) . . ?
F11' C23 F12 128.6(12) . . ?
F10' C23 F12 88.3(14) . . ?
F12' C23 C22 117.3(15) . . ?
F10 C23 C22 111.9(8) . . ?
F11 C23 C22 113.2(7) . . ?
F11' C23 C22 110.6(12) . . ?
F10' C23 C22 106.9(15) . . ?
F12 C23 C22 111.3(6) . . ?
F6 C18 F5 107.9(6) . . ?
F6 C18 F4 105.4(6) . . ?
F5 C18 F4 103.1(6) . . ?
F6 C18 C17 114.1(8) . . ?
F5 C18 C17 114.3(6) . . ?
F4 C18 C17 111.1(7) . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        27.94
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         2.122
_refine_diff_density_min         -1.960
_refine_diff_density_rms         0.187