# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_import-fpr772plus
_database_code_depnum_ccdc_archive 'CCDC 1511876'
_audit_update_record             
;
2016-10-26 deposited with the CCDC.
2016-11-23 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 H21 Dy F18 N2 O6'
_chemical_formula_weight         1190.14

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

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

_cell_length_a                   11.1110(6)
_cell_length_b                   17.6697(12)
_cell_length_c                   22.6965(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4456.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9458
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.12

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2324
_exptl_absorpt_coefficient_mu    1.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6563
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(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  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15348
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.46
_diffrn_reflns_theta_max         27.48
_reflns_number_total             9283
_reflns_number_gt                8235
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0426P)²+2.8518P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.028(10)
_refine_ls_number_reflns         9283
_refine_ls_number_parameters     649
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.0982
_refine_ls_wR_factor_gt          0.0803
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_restrained_S_all      1.109
_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
C1 C 0.8497(5) -0.1120(4) 0.1064(3) 0.0260(13) Uani 1 1 d . . .
C2 C 0.8637(5) -0.1157(4) 0.1688(3) 0.0268(13) Uani 1 1 d . . .
H2 H 0.8566 -0.0719 0.1913 0.032 Uiso 1 1 calc R . .
C3 C 0.8872(5) -0.1826(4) 0.1955(3) 0.0338(15) Uani 1 1 d . . .
H3 H 0.8869 -0.1851 0.2364 0.041 Uiso 1 1 calc R . .
C4 C 0.9124(6) -0.2498(4) 0.1622(3) 0.0363(15) Uani 1 1 d . . .
C5 C 0.9296(6) -0.3201(4) 0.1916(4) 0.0453(18) Uani 1 1 d . . .
H5 H 0.9309 -0.3222 0.2325 0.054 Uiso 1 1 calc R . .
C6 C 0.9442(7) -0.3843(4) 0.1593(4) 0.057(2) Uani 1 1 d . . .
H6 H 0.9464 -0.4307 0.1786 0.069 Uiso 1 1 calc R . .
C7 C 0.9563(6) -0.3827(4) 0.0969(4) 0.0431(18) Uani 1 1 d . . .
C8 C 0.9618(6) -0.4512(4) 0.0644(4) 0.056(2) Uani 1 1 d . . .
H8 H 0.9594 -0.4976 0.0837 0.068 Uiso 1 1 calc R . .
C9 C 0.9706(6) -0.4487(4) 0.0056(4) 0.050(2) Uani 1 1 d . . .
H9 H 0.9608 -0.4930 -0.0160 0.060 Uiso 1 1 calc R . .
C10 C 0.9943(6) -0.3808(4) -0.0237(4) 0.0403(18) Uani 1 1 d . . .
C11 C 1.0171(6) -0.3802(5) -0.0854(4) 0.050(2) Uani 1 1 d . . .
H11 H 1.0088 -0.4250 -0.1066 0.060 Uiso 1 1 calc R . .
C12 C 1.0500(6) -0.3173(5) -0.1139(4) 0.049(2) Uani 1 1 d . . .
H12 H 1.0573 -0.3179 -0.1547 0.059 Uiso 1 1 calc R . .
C13 C 1.0738(5) -0.2496(4) -0.0824(3) 0.0361(15) Uani 1 1 d . . .
C14 C 1.1213(6) -0.1859(5) -0.1108(3) 0.0416(18) Uani 1 1 d . . .
H14 H 1.1272 -0.1857 -0.1517 0.050 Uiso 1 1 calc R . .
C15 C 1.1589(6) -0.1244(5) -0.0800(3) 0.0415(17) Uani 1 1 d . . .
H15 H 1.1872 -0.0817 -0.0996 0.050 Uiso 1 1 calc R . .
C16 C 1.1546(5) -0.1261(4) -0.0186(3) 0.0345(15) Uani 1 1 d . . .
H16 H 1.1859 -0.0859 0.0030 0.041 Uiso 1 1 calc R . .
C17 C 1.1047(5) -0.1862(4) 0.0101(3) 0.0278(13) Uani 1 1 d . . .
H17 H 1.1026 -0.1861 0.0511 0.033 Uiso 1 1 calc R . .
C18 C 1.0565(5) -0.2480(4) -0.0205(3) 0.0298(14) Uani 1 1 d . . .
C19 C 1.0014(5) -0.3125(4) 0.0085(3) 0.0341(15) Uani 1 1 d . . .
C20 C 0.9595(5) -0.3123(4) 0.0672(3) 0.0332(15) Uani 1 1 d . . .
C21 C 0.9175(5) -0.2470(4) 0.1005(3) 0.0284(13) Uani 1 1 d . . .
C22 C 0.8704(5) -0.1789(4) 0.0731(3) 0.0245(13) Uani 1 1 d . . .
C23 C 0.8304(4) -0.1768(3) 0.0145(3) 0.0248(12) Uani 1 1 d . . .
H23 H 0.8313 -0.2208 -0.0080 0.030 Uiso 1 1 calc R . .
C24 C 0.7900(5) -0.1106(3) -0.0099(2) 0.0244(12) Uani 1 1 d . . .
H24 H 0.7634 -0.1097 -0.0487 0.029 Uiso 1 1 calc R . .
C25 C 0.7890(5) -0.0444(3) 0.0239(2) 0.0209(11) Uani 1 1 d . . .
C26 C 0.7523(5) 0.0282(3) -0.0036(2) 0.0230(12) Uani 1 1 d . . .
C27 C 0.7561(6) 0.0387(4) -0.0641(3) 0.0342(15) Uani 1 1 d . . .
H27 H 0.7827 0.0002 -0.0888 0.041 Uiso 1 1 calc R . .
C28 C 0.7200(7) 0.1073(4) -0.0871(3) 0.0424(17) Uani 1 1 d . . .
H28 H 0.7218 0.1153 -0.1276 0.051 Uiso 1 1 calc R . .
C29 C 0.6810(7) 0.1638(4) -0.0498(3) 0.0420(17) Uani 1 1 d . . .
H29 H 0.6550 0.2100 -0.0648 0.050 Uiso 1 1 calc R . .
C30 C 0.6815(6) 0.1504(4) 0.0100(3) 0.0351(15) Uani 1 1 d . . .
H30 H 0.6560 0.1886 0.0353 0.042 Uiso 1 1 calc R . .
C31 C 1.1179(6) 0.0941(5) -0.0040(3) 0.0480(19) Uani 1 1 d . . .
C32 C 1.0624(5) 0.0765(4) 0.0558(3) 0.0344(14) Uani 1 1 d . . .
C33 C 1.1301(5) 0.0379(4) 0.0975(3) 0.0405(17) Uani 1 1 d . . .
H33 H 1.2060 0.0198 0.0873 0.049 Uiso 1 1 calc R . .
C34 C 1.0867(6) 0.0260(4) 0.1537(3) 0.0345(15) Uani 1 1 d . . .
C35 C 1.1693(6) -0.0122(5) 0.1981(4) 0.052(2) Uani 1 1 d . . .
C36 C 0.7372(6) 0.1998(5) 0.3146(3) 0.0430(18) Uani 1 1 d . . .
C37 C 0.7834(5) 0.1955(4) 0.2511(3) 0.0308(14) Uani 1 1 d . . .
C38 C 0.8004(7) 0.2643(4) 0.2219(2) 0.0381(14) Uani 1 1 d . . .
H38 H 0.7875 0.3094 0.2420 0.046 Uiso 1 1 calc R . .
C39 C 0.8363(5) 0.2660(4) 0.1630(3) 0.0272(13) Uani 1 1 d . . .
C40 C 0.8656(6) 0.3434(4) 0.1359(3) 0.0407(15) Uani 1 1 d . . .
C41 C 0.5516(6) -0.0355(5) 0.2653(3) 0.0449(19) Uani 1 1 d . . .
C42 C 0.5795(6) 0.0241(4) 0.2188(3) 0.0328(15) Uani 1 1 d . . .
C43 C 0.5072(5) 0.0874(5) 0.2157(3) 0.0413(16) Uani 1 1 d . . .
H43 H 0.4439 0.0931 0.2421 0.050 Uiso 1 1 calc R . .
C44 C 0.5283(6) 0.1435(4) 0.1729(3) 0.0363(15) Uani 1 1 d . . .
C45 C 0.4351(7) 0.2075(6) 0.1655(4) 0.058(2) Uani 1 1 d . . .
N1 N 0.8140(4) -0.0448(3) 0.08162(18) 0.0232(10) Uani 1 1 d . . .
N2 N 0.7175(4) 0.0841(3) 0.03305(18) 0.0259(9) Uani 1 1 d . . .
O1 O 0.9557(4) 0.0987(3) 0.06161(18) 0.0319(10) Uani 1 1 d . . .
O2 O 0.9833(3) 0.0428(3) 0.17410(18) 0.0329(10) Uani 1 1 d . . .
O3 O 0.7962(4) 0.1305(2) 0.23095(15) 0.0280(8) Uani 1 1 d . . .
O4 O 0.8519(3) 0.2109(2) 0.12875(18) 0.0319(9) Uani 1 1 d . . .
O5 O 0.6688(3) 0.0092(3) 0.18697(17) 0.0316(10) Uani 1 1 d . . .
O6 O 0.6154(3) 0.1487(2) 0.13902(18) 0.0311(9) Uani 1 1 d . . .
F1 F 1.2279(4) 0.0646(3) -0.0107(2) 0.0787(17) Uani 1 1 d . . .
F2 F 1.0535(5) 0.0647(4) -0.0472(2) 0.0822(19) Uani 1 1 d . . .
F3 F 1.1268(6) 0.1673(3) -0.0119(3) 0.089(2) Uani 1 1 d . . .
F4 F 1.2596(6) -0.0485(5) 0.1751(2) 0.123(3) Uani 1 1 d . . .
F5 F 1.1098(5) -0.0556(3) 0.2368(3) 0.0860(19) Uani 1 1 d . . .
F6 F 1.2196(4) 0.0402(3) 0.2339(2) 0.0744(15) Uani 1 1 d . . .
F7 F 0.7555(7) 0.1369(4) 0.34362(19) 0.099(2) Uani 1 1 d . . .
F8 F 0.7867(5) 0.2525(4) 0.34643(17) 0.0836(17) Uani 1 1 d . . .
F9 F 0.6208(4) 0.2113(4) 0.3148(2) 0.085(2) Uani 1 1 d . . .
F10 F 0.9691(4) 0.3693(3) 0.15886(19) 0.0556(12) Uani 1 1 d . . .
F11 F 0.7811(4) 0.3946(2) 0.1473(2) 0.0616(12) Uani 1 1 d . . .
F12 F 0.8813(5) 0.3405(3) 0.07831(17) 0.0566(12) Uani 1 1 d . . .
F13 F 0.4910(6) -0.0915(4) 0.2426(2) 0.0898(18) Uani 1 1 d . . .
F14 F 0.6418(5) -0.0597(5) 0.2901(3) 0.140(4) Uani 1 1 d . . .
F15 F 0.4799(8) -0.0104(4) 0.3076(3) 0.121(3) Uani 1 1 d . . .
F16 F 0.3645(6) 0.1924(5) 0.1223(4) 0.147(3) Uani 1 1 d . . .
F17 F 0.4815(6) 0.2717(4) 0.1548(4) 0.126(3) Uani 1 1 d . . .
F18 F 0.3666(6) 0.2162(5) 0.2127(3) 0.144(3) Uani 1 1 d . . .
Dy1 Dy 0.80257(2) 0.083460(16) 0.134087(10) 0.02205(7) 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
C1 N1 1.374(7) . ?
C1 C22 1.422(9) . ?
C1 C2 1.426(8) . ?
C2 C3 1.354(9) . ?
C3 C4 1.435(10) . ?
C4 C21 1.401(8) . ?
C4 C5 1.424(9) . ?
C5 C6 1.360(11) . ?
C6 C7 1.421(11) . ?
C7 C20 1.415(10) . ?
C7 C8 1.421(11) . ?
C8 C9 1.337(11) . ?
C9 C10 1.398(10) . ?
C10 C19 1.414(9) . ?
C10 C11 1.423(12) . ?
C11 C12 1.337(11) . ?
C12 C13 1.419(10) . ?
C13 C14 1.400(10) . ?
C13 C18 1.419(9) . ?
C14 C15 1.357(10) . ?
C15 C16 1.396(9) . ?
C16 C17 1.364(9) . ?
C17 C18 1.400(9) . ?
C18 C19 1.452(9) . ?
C19 C20 1.411(10) . ?
C20 C21 1.457(9) . ?
C21 C22 1.453(9) . ?
C22 C23 1.403(8) . ?
C23 C24 1.369(8) . ?
C24 C25 1.399(7) . ?
C25 N1 1.340(6) . ?
C25 C26 1.483(8) . ?
C26 N2 1.348(7) . ?
C26 C27 1.386(8) . ?
C27 C28 1.378(9) . ?
C28 C29 1.378(9) . ?
C29 C30 1.379(8) . ?
C30 N2 1.344(8) . ?
C31 F3 1.309(9) . ?
C31 F2 1.320(9) . ?
C31 F1 1.337(8) . ?
C31 C32 1.524(9) . ?
C32 O1 1.256(7) . ?
C32 C33 1.388(9) . ?
C33 C34 1.381(9) . ?
C34 O2 1.274(8) . ?
C34 C35 1.521(10) . ?
C35 F4 1.299(9) . ?
C35 F5 1.340(9) . ?
C35 F6 1.352(9) . ?
C36 F8 1.300(8) . ?
C36 F7 1.309(10) . ?
C36 F9 1.309(8) . ?
C36 C37 1.533(8) . ?
C37 O3 1.245(7) . ?
C37 C38 1.396(9) . ?
C38 C39 1.397(8) . ?
C39 O4 1.259(7) . ?
C39 C40 1.533(9) . ?
C40 F12 1.320(8) . ?
C40 F11 1.330(8) . ?
C40 F10 1.343(8) . ?
C41 F14 1.227(8) . ?
C41 F13 1.302(9) . ?
C41 F15 1.324(9) . ?
C41 C42 1.522(10) . ?
C42 O5 1.256(7) . ?
C42 C43 1.378(10) . ?
C43 C44 1.408(10) . ?
C44 O6 1.239(7) . ?
C44 C45 1.541(11) . ?
C45 F17 1.269(11) . ?
C45 F16 1.284(10) . ?
C45 F18 1.322(10) . ?
N1 Dy1 2.563(5) . ?
N2 Dy1 2.481(4) . ?
O1 Dy1 2.382(4) . ?
O2 Dy1 2.318(4) . ?
O3 Dy1 2.351(4) . ?
O4 Dy1 2.320(4) . ?
O5 Dy1 2.318(4) . ?
O6 Dy1 2.380(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C22 123.2(5) . . ?
N1 C1 C2 118.5(6) . . ?
C22 C1 C2 118.3(6) . . ?
C3 C2 C1 120.2(7) . . ?
C2 C3 C4 121.7(6) . . ?
C21 C4 C5 119.6(7) . . ?
C21 C4 C3 120.3(6) . . ?
C5 C4 C3 120.1(6) . . ?
C6 C5 C4 119.4(8) . . ?
C5 C6 C7 122.1(8) . . ?
C20 C7 C8 120.0(7) . . ?
C20 C7 C6 119.6(8) . . ?
C8 C7 C6 120.4(8) . . ?
C9 C8 C7 119.6(8) . . ?
C8 C9 C10 121.2(7) . . ?
C9 C10 C19 119.7(7) . . ?
C9 C10 C11 120.6(7) . . ?
C19 C10 C11 119.6(7) . . ?
C12 C11 C10 122.0(7) . . ?
C11 C12 C13 120.6(8) . . ?
C14 C13 C12 121.1(7) . . ?
C14 C13 C18 119.4(6) . . ?
C12 C13 C18 119.4(7) . . ?
C15 C14 C13 121.5(7) . . ?
C14 C15 C16 119.1(7) . . ?
C17 C16 C15 120.5(7) . . ?
C16 C17 C18 121.8(6) . . ?
C17 C18 C13 117.0(6) . . ?
C17 C18 C19 123.3(6) . . ?
C13 C18 C19 119.4(6) . . ?
C20 C19 C10 118.2(7) . . ?
C20 C19 C18 124.4(6) . . ?
C10 C19 C18 117.3(6) . . ?
C19 C20 C7 117.1(6) . . ?
C19 C20 C21 126.7(6) . . ?
C7 C20 C21 116.2(6) . . ?
C4 C21 C22 116.3(6) . . ?
C4 C21 C20 120.2(6) . . ?
C22 C21 C20 123.3(6) . . ?
C23 C22 C1 115.6(6) . . ?
C23 C22 C21 122.9(6) . . ?
C1 C22 C21 121.2(6) . . ?
C24 C23 C22 120.6(5) . . ?
C23 C24 C25 119.8(5) . . ?
N1 C25 C24 122.0(5) . . ?
N1 C25 C26 118.2(5) . . ?
C24 C25 C26 119.7(4) . . ?
N2 C26 C27 121.4(5) . . ?
N2 C26 C25 116.9(5) . . ?
C27 C26 C25 121.7(5) . . ?
C28 C27 C26 119.0(6) . . ?
C29 C28 C27 119.7(6) . . ?
C28 C29 C30 118.6(6) . . ?
N2 C30 C29 122.3(6) . . ?
F3 C31 F2 109.1(7) . . ?
F3 C31 F1 107.6(6) . . ?
F2 C31 F1 104.9(6) . . ?
F3 C31 C32 110.7(6) . . ?
F2 C31 C32 111.2(6) . . ?
F1 C31 C32 113.1(6) . . ?
O1 C32 C33 126.5(6) . . ?
O1 C32 C31 114.3(6) . . ?
C33 C32 C31 119.2(6) . . ?
C34 C33 C32 121.0(6) . . ?
O2 C34 C33 128.0(6) . . ?
O2 C34 C35 114.1(6) . . ?
C33 C34 C35 118.0(6) . . ?
F4 C35 F5 111.2(8) . . ?
F4 C35 F6 105.1(6) . . ?
F5 C35 F6 101.7(6) . . ?
F4 C35 C34 114.8(7) . . ?
F5 C35 C34 112.9(6) . . ?
F6 C35 C34 110.1(7) . . ?
F8 C36 F7 105.3(6) . . ?
F8 C36 F9 107.7(7) . . ?
F7 C36 F9 106.5(7) . . ?
F8 C36 C37 114.6(6) . . ?
F7 C36 C37 112.3(6) . . ?
F9 C36 C37 110.0(6) . . ?
O3 C37 C38 127.9(5) . . ?
O3 C37 C36 115.4(6) . . ?
C38 C37 C36 116.6(6) . . ?
C37 C38 C39 120.8(6) . . ?
O4 C39 C38 127.8(6) . . ?
O4 C39 C40 114.4(5) . . ?
C38 C39 C40 117.7(6) . . ?
F12 C40 F11 108.2(6) . . ?
F12 C40 F10 106.5(6) . . ?
F11 C40 F10 107.3(6) . . ?
F12 C40 C39 113.0(6) . . ?
F11 C40 C39 112.2(6) . . ?
F10 C40 C39 109.3(6) . . ?
F14 C41 F13 109.9(9) . . ?
F14 C41 F15 105.9(7) . . ?
F13 C41 F15 103.4(6) . . ?
F14 C41 C42 113.1(6) . . ?
F13 C41 C42 110.9(6) . . ?
F15 C41 C42 113.1(7) . . ?
O5 C42 C43 126.9(6) . . ?
O5 C42 C41 114.5(6) . . ?
C43 C42 C41 118.6(6) . . ?
C42 C43 C44 120.7(6) . . ?
O6 C44 C43 127.5(6) . . ?
O6 C44 C45 113.8(6) . . ?
C43 C44 C45 118.7(6) . . ?
F17 C45 F16 106.7(9) . . ?
F17 C45 F18 106.6(9) . . ?
F16 C45 F18 106.9(8) . . ?
F17 C45 C44 113.8(7) . . ?
F16 C45 C44 109.9(8) . . ?
F18 C45 C44 112.6(7) . . ?
C25 N1 C1 117.7(5) . . ?
C25 N1 Dy1 116.1(4) . . ?
C1 N1 Dy1 126.1(3) . . ?
C30 N2 C26 118.9(5) . . ?
C30 N2 Dy1 118.5(4) . . ?
C26 N2 Dy1 117.2(4) . . ?
C32 O1 Dy1 135.3(4) . . ?
C34 O2 Dy1 135.4(4) . . ?
C37 O3 Dy1 132.3(4) . . ?
C39 O4 Dy1 133.4(4) . . ?
C42 O5 Dy1 133.3(4) . . ?
C44 O6 Dy1 132.6(4) . . ?
O2 Dy1 O5 100.21(16) . . ?
O2 Dy1 O4 96.68(15) . . ?
O5 Dy1 O4 136.72(15) . . ?
O2 Dy1 O3 76.66(15) . . ?
O5 Dy1 O3 72.33(14) . . ?
O4 Dy1 O3 73.34(14) . . ?
O2 Dy1 O6 152.69(14) . . ?
O5 Dy1 O6 71.91(15) . . ?
O4 Dy1 O6 74.89(14) . . ?
O3 Dy1 O6 76.03(15) . . ?
O2 Dy1 O1 71.75(15) . . ?
O5 Dy1 O1 151.62(15) . . ?
O4 Dy1 O1 71.65(15) . . ?
O3 Dy1 O1 128.86(15) . . ?
O6 Dy1 O1 126.99(15) . . ?
O2 Dy1 N2 133.93(15) . . ?
O5 Dy1 N2 103.69(15) . . ?
O4 Dy1 N2 92.15(16) . . ?
O3 Dy1 N2 148.36(15) . . ?
O6 Dy1 N2 73.04(15) . . ?
O1 Dy1 N2 68.49(14) . . ?
O2 Dy1 N1 82.25(15) . . ?
O5 Dy1 N1 76.80(14) . . ?
O4 Dy1 N1 145.27(14) . . ?
O3 Dy1 N1 138.43(14) . . ?
O6 Dy1 N1 119.55(15) . . ?
O1 Dy1 N1 75.16(15) . . ?
N2 Dy1 N1 66.00(16) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.615
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.160

####################################################################### 
# 
# 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_job-fpr772moins
_database_code_depnum_ccdc_archive 'CCDC 1511877'
_audit_update_record             
;
2016-10-26 deposited with the CCDC.
2016-11-23 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 H21 Dy F18 N2 O6'
_chemical_formula_weight         1190.14

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

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

_cell_length_a                   11.1191(9)
_cell_length_b                   17.6604(18)
_cell_length_c                   22.693(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4456.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1179
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      19.19

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2324
_exptl_absorpt_coefficient_mu    1.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6125
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(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  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25548
_diffrn_reflns_av_R_equivalents  0.1334
_diffrn_reflns_av_sigmaI/netI    0.2195
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.46
_diffrn_reflns_theta_max         27.49
_reflns_number_total             10112
_reflns_number_gt                5232
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0850P)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    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0057(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(2)
_refine_ls_number_reflns         10112
_refine_ls_number_parameters     608
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1638
_refine_ls_R_factor_gt           0.0814
_refine_ls_wR_factor_ref         0.2315
_refine_ls_wR_factor_gt          0.1666
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_restrained_S_all      0.992
_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
C1 C 0.1522(13) 1.1127(9) 0.3967(7) 0.036(4) Uani 1 1 d . . .
C2 C 0.1386(13) 1.1165(10) 0.3349(10) 0.054(5) Uani 1 1 d . . .
H2 H 0.1468 1.0723 0.3128 0.065 Uiso 1 1 calc R . .
C3 C 0.1137(14) 1.1831(10) 0.3062(8) 0.046(4) Uani 1 1 d . . .
H3 H 0.1137 1.1857 0.2653 0.055 Uiso 1 1 calc R . .
C4 C 0.0866(13) 1.2514(10) 0.3427(8) 0.047(4) Uani 1 1 d . . .
C5 C 0.0726(14) 1.3192(9) 0.3090(9) 0.056(2) Uani 1 1 d . . .
H5 H 0.0743 1.3202 0.2681 0.067 Uiso 1 1 calc R . .
C6 C 0.0561(14) 1.3832(10) 0.3434(9) 0.056(2) Uani 1 1 d . . .
H6 H 0.0540 1.4299 0.3245 0.067 Uiso 1 1 calc R . .
C7 C 0.0422(15) 1.3824(10) 0.4060(10) 0.056(2) Uani 1 1 d . . .
C8 C 0.0375(14) 1.4513(10) 0.4394(9) 0.056(2) Uani 1 1 d . . .
H8 H 0.0410 1.4982 0.4209 0.067 Uiso 1 1 calc R . .
C9 C 0.0280(15) 1.4460(10) 0.4973(10) 0.056(2) Uani 1 1 d . . .
H9 H 0.0389 1.4891 0.5202 0.067 Uiso 1 1 calc R . .
C10 C 0.0025(13) 1.3783(10) 0.5248(10) 0.053(5) Uani 1 1 d . . .
C11 C -0.0166(13) 1.3794(12) 0.5859(9) 0.058(5) Uani 1 1 d . . .
H11 H -0.0037 1.4240 0.6067 0.069 Uiso 1 1 calc R . .
C12 C -0.0532(13) 1.3172(11) 0.6148(8) 0.049(3) Uani 1 1 d . . .
H12 H -0.0644 1.3181 0.6555 0.059 Uiso 1 1 calc R . .
C13 C -0.0745(14) 1.2497(11) 0.5820(7) 0.049(3) Uani 1 1 d . . .
C14 C -0.1219(14) 1.1889(11) 0.6100(8) 0.049(3) Uani 1 1 d . . .
H14 H -0.1319 1.1906 0.6507 0.059 Uiso 1 1 calc R . .
C15 C -0.1544(15) 1.1274(11) 0.5813(9) 0.059(5) Uani 1 1 d . . .
H15 H -0.1784 1.0846 0.6019 0.070 Uiso 1 1 calc R . .
C16 C -0.1527(13) 1.1266(9) 0.5200(7) 0.041(4) Uani 1 1 d . . .
H16 H -0.1843 1.0857 0.4993 0.049 Uiso 1 1 calc R . .
C17 C -0.1047(12) 1.1858(9) 0.4909(7) 0.033(3) Uani 1 1 d . . .
H17 H -0.1025 1.1858 0.4499 0.039 Uiso 1 1 calc R . .
C18 C -0.0578(11) 1.2476(8) 0.5225(7) 0.033(3) Uani 1 1 d . . .
C19 C -0.0002(13) 1.3116(10) 0.4941(8) 0.044(4) Uani 1 1 d . . .
C20 C 0.0410(15) 1.3126(10) 0.4355(9) 0.056(2) Uani 1 1 d . . .
C21 C 0.0841(12) 1.2459(9) 0.4020(7) 0.038(4) Uani 1 1 d . . .
C22 C 0.1304(12) 1.1778(9) 0.4310(9) 0.043(4) Uani 1 1 d . . .
C23 C 0.1690(11) 1.1776(8) 0.4865(7) 0.032(3) Uani 1 1 d . . .
H23 H 0.1696 1.2221 0.5085 0.039 Uiso 1 1 calc R . .
C24 C 0.2071(14) 1.1123(8) 0.5103(6) 0.037(3) Uani 1 1 d . . .
H24 H 0.2308 1.1112 0.5496 0.045 Uiso 1 1 calc R . .
C25 C 0.2117(12) 1.0447(8) 0.4763(6) 0.030(3) Uani 1 1 d . . .
C26 C 0.2460(13) 0.9744(10) 0.5027(7) 0.040(4) Uani 1 1 d . . .
C27 C 0.2426(12) 0.9644(9) 0.5646(6) 0.039(4) Uani 1 1 d . . .
H27 H 0.2180 1.0032 0.5896 0.046 Uiso 1 1 calc R . .
C28 C 0.2772(16) 0.8950(9) 0.5863(7) 0.052(5) Uani 1 1 d . . .
H28 H 0.2714 0.8860 0.6266 0.063 Uiso 1 1 calc R . .
C29 C 0.3207(16) 0.8374(10) 0.5499(7) 0.050(4) Uani 1 1 d . . .
H29 H 0.3491 0.7923 0.5659 0.060 Uiso 1 1 calc R . .
C30 C 0.3207(15) 0.8488(8) 0.4893(6) 0.040(4) Uani 1 1 d . . .
H30 H 0.3462 0.8104 0.4641 0.048 Uiso 1 1 calc R . .
C31 C 0.4516(15) 1.0330(13) 0.2346(8) 0.057(5) Uani 1 1 d . . .
C32 C 0.4194(13) 0.9767(9) 0.2818(6) 0.035(4) Uani 1 1 d . . .
C33 C 0.4937(13) 0.9147(12) 0.2832(8) 0.054(4) Uani 1 1 d . . .
H33 H 0.5586 0.9114 0.2575 0.065 Uiso 1 1 calc R . .
C34 C 0.4706(12) 0.8540(9) 0.3253(7) 0.039(4) Uani 1 1 d . . .
C35 C 0.5629(15) 0.7922(14) 0.3357(11) 0.077(7) Uani 1 1 d . . .
C36 C 0.1371(16) 0.6576(10) 0.3675(12) 0.069(6) Uani 1 1 d . . .
C37 C 0.1654(12) 0.7363(9) 0.3360(8) 0.041(4) Uani 1 1 d . . .
C38 C 0.2048(17) 0.7350(8) 0.2760(7) 0.050(4) Uani 1 1 d . . .
H38 H 0.2201 0.6896 0.2567 0.060 Uiso 1 1 calc R . .
C39 C 0.2195(14) 0.8059(11) 0.2471(8) 0.053(5) Uani 1 1 d . . .
C40 C 0.2719(19) 0.8003(14) 0.1843(9) 0.068(6) Uani 1 1 d . . .
C41 C -0.178(2) 1.0119(13) 0.3054(11) 0.089(8) Uani 1 1 d D . .
C42 C -0.0878(15) 0.9748(9) 0.3468(8) 0.048(4) Uani 1 1 d D . .
C43 C -0.1335(14) 0.9642(11) 0.4053(8) 0.054(5) Uani 1 1 d . . .
H43 H -0.2086 0.9830 0.4157 0.065 Uiso 1 1 calc R . .
C44 C -0.0630(12) 0.9247(9) 0.4469(7) 0.039(4) Uani 1 1 d . . .
C45 C -0.1181(14) 0.9086(13) 0.5054(8) 0.054(5) Uani 1 1 d . . .
N1 N 0.1878(11) 1.0455(6) 0.4184(5) 0.033(3) Uani 1 1 d . . .
N2 N 0.2832(10) 0.9166(8) 0.4669(5) 0.038(3) Uani 1 1 d . . .
O1 O 0.3339(9) 0.9909(6) 0.3133(5) 0.046(3) Uani 1 1 d . . .
O2 O 0.3842(8) 0.8520(6) 0.3599(5) 0.037(2) Uani 1 1 d . . .
O3 O 0.1482(8) 0.7889(6) 0.3723(5) 0.040(2) Uani 1 1 d . . .
O4 O 0.2058(9) 0.8687(5) 0.2697(4) 0.033(2) Uani 1 1 d . . .
O5 O 0.0156(9) 0.9557(6) 0.3263(5) 0.044(3) Uani 1 1 d . . .
O6 O 0.0442(9) 0.9027(7) 0.4386(5) 0.047(3) Uani 1 1 d . . .
F1 F 0.5183(15) 1.0107(9) 0.1918(7) 0.133(6) Uani 1 1 d . . .
F2 F 0.5080(12) 1.0922(9) 0.2573(6) 0.098(4) Uani 1 1 d . . .
F3 F 0.3598(10) 1.0595(12) 0.2106(7) 0.162(10) Uani 1 1 d . . .
F4 F 0.6263(15) 0.7814(11) 0.2843(8) 0.168(9) Uani 1 1 d . . .
F5 F 0.6360(14) 0.8083(10) 0.3753(10) 0.162(9) Uani 1 1 d . . .
F6 F 0.5168(12) 0.7277(7) 0.3434(8) 0.126(7) Uani 1 1 d . . .
F7 F 0.1201(11) 0.6598(6) 0.4228(4) 0.067(3) Uani 1 1 d . . .
F8 F 0.0327(10) 0.6302(6) 0.3412(5) 0.071(3) Uani 1 1 d . . .
F9 F 0.2222(10) 0.6059(5) 0.3521(5) 0.074(3) Uani 1 1 d . . .
F10 F 0.3809(10) 0.7899(9) 0.1845(5) 0.094(5) Uani 1 1 d . . .
F11 F 0.2150(11) 0.7482(8) 0.1526(5) 0.095(4) Uani 1 1 d . . .
F12 F 0.2460(14) 0.8629(9) 0.1549(5) 0.105(5) Uani 1 1 d . . .
F13 F -0.2228(10) 0.9593(8) 0.2670(5) 0.084(4) Uani 1 1 d . . .
F14 F -0.1124(12) 1.0554(8) 0.2650(7) 0.106(5) Uani 1 1 d . . .
F15 F -0.2638(13) 1.0499(11) 0.3259(6) 0.146(8) Uani 1 1 d . . .
F16 F -0.2267(9) 0.9363(7) 0.5113(5) 0.086(4) Uani 1 1 d . . .
F17 F -0.0547(11) 0.9370(8) 0.5489(5) 0.089(4) Uani 1 1 d . . .
F18 F -0.1267(12) 0.8338(6) 0.5132(5) 0.085(4) Uani 1 1 d . . .
Dy1 Dy 0.19734(6) 0.91648(4) 0.36592(3) 0.0329(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
C1 N1 1.345(18) . ?
C1 C22 1.41(2) . ?
C1 C2 1.41(2) . ?
C2 C3 1.37(2) . ?
C3 C4 1.49(2) . ?
C4 C21 1.35(2) . ?
C4 C5 1.43(2) . ?
C5 C6 1.39(2) . ?
C6 C7 1.43(3) . ?
C7 C20 1.40(3) . ?
C7 C8 1.43(2) . ?
C8 C9 1.32(2) . ?
C9 C10 1.38(2) . ?
C10 C19 1.37(2) . ?
C10 C11 1.40(3) . ?
C11 C12 1.34(3) . ?
C12 C13 1.43(2) . ?
C13 C14 1.35(2) . ?
C13 C18 1.36(2) . ?
C14 C15 1.32(2) . ?
C15 C16 1.39(2) . ?
C16 C17 1.35(2) . ?
C17 C18 1.41(2) . ?
C18 C19 1.45(2) . ?
C19 C20 1.41(2) . ?
C20 C21 1.48(2) . ?
C21 C22 1.46(2) . ?
C22 C23 1.33(2) . ?
C23 C24 1.342(19) . ?
C24 C25 1.422(19) . ?
C25 N1 1.342(16) . ?
C25 C26 1.43(2) . ?
C26 N2 1.369(19) . ?
C26 C27 1.42(2) . ?
C27 C28 1.38(2) . ?
C28 C29 1.40(2) . ?
C29 C30 1.39(2) . ?
C30 N2 1.366(18) . ?
C31 F3 1.25(2) . ?
C31 F1 1.28(2) . ?
C31 F2 1.32(2) . ?
C31 C32 1.50(2) . ?
C32 O1 1.216(16) . ?
C32 C33 1.37(2) . ?
C33 C34 1.46(2) . ?
C34 O2 1.241(17) . ?
C34 C35 1.52(3) . ?
C35 F5 1.24(3) . ?
C35 F6 1.26(3) . ?
C35 F4 1.38(3) . ?
C36 F7 1.27(3) . ?
C36 F9 1.36(2) . ?
C36 F8 1.393(19) . ?
C36 C37 1.59(2) . ?
C37 O3 1.255(19) . ?
C37 C38 1.43(2) . ?
C38 C39 1.42(2) . ?
C39 O4 1.23(2) . ?
C39 C40 1.54(2) . ?
C40 F10 1.23(2) . ?
C40 F12 1.32(3) . ?
C40 F11 1.33(2) . ?
C41 F15 1.25(3) . ?
C41 F13 1.37(2) . ?
C41 F14 1.40(3) . ?
C41 C42 1.525(17) . ?
C42 O5 1.285(19) . ?
C42 C43 1.43(2) . ?
C43 C44 1.41(2) . ?
C44 O6 1.268(17) . ?
C44 C45 1.49(2) . ?
C45 F16 1.309(19) . ?
C45 F17 1.31(2) . ?
C45 F18 1.34(2) . ?
N1 Dy1 2.573(11) . ?
N2 Dy1 2.482(11) . ?
O1 Dy1 2.336(10) . ?
O2 Dy1 2.374(9) . ?
O3 Dy1 2.324(10) . ?
O4 Dy1 2.343(9) . ?
O5 Dy1 2.319(10) . ?
O6 Dy1 2.383(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C22 124.6(15) . . ?
N1 C1 C2 115.8(15) . . ?
C22 C1 C2 119.5(16) . . ?
C3 C2 C1 122.1(18) . . ?
C2 C3 C4 118.1(17) . . ?
C21 C4 C5 126.3(18) . . ?
C21 C4 C3 119.9(16) . . ?
C5 C4 C3 113.7(16) . . ?
C6 C5 C4 113.3(19) . . ?
C5 C6 C7 124.5(18) . . ?
C20 C7 C6 119.0(18) . . ?
C20 C7 C8 120(2) . . ?
C6 C7 C8 121.3(17) . . ?
C9 C8 C7 117.9(18) . . ?
C8 C9 C10 121.9(19) . . ?
C19 C10 C9 121(2) . . ?
C19 C10 C11 120.9(18) . . ?
C9 C10 C11 117.8(18) . . ?
C12 C11 C10 121.2(18) . . ?
C11 C12 C13 118.6(17) . . ?
C14 C13 C18 119.7(17) . . ?
C14 C13 C12 118.8(16) . . ?
C18 C13 C12 121.2(17) . . ?
C15 C14 C13 121.8(19) . . ?
C14 C15 C16 120(2) . . ?
C17 C16 C15 119.2(17) . . ?
C16 C17 C18 120.0(15) . . ?
C13 C18 C17 118.4(15) . . ?
C13 C18 C19 118.6(16) . . ?
C17 C18 C19 122.8(15) . . ?
C10 C19 C20 117.7(18) . . ?
C10 C19 C18 116.9(17) . . ?
C20 C19 C18 125.0(17) . . ?
C7 C20 C19 117.7(17) . . ?
C7 C20 C21 116.8(18) . . ?
C19 C20 C21 125.5(16) . . ?
C4 C21 C22 120.1(16) . . ?
C4 C21 C20 117.5(17) . . ?
C22 C21 C20 122.3(16) . . ?
C23 C22 C1 117.7(15) . . ?
C23 C22 C21 122.8(16) . . ?
C1 C22 C21 118.7(17) . . ?
C22 C23 C24 119.0(15) . . ?
C23 C24 C25 121.0(14) . . ?
N1 C25 C24 121.0(12) . . ?
N1 C25 C26 118.2(13) . . ?
C24 C25 C26 120.8(13) . . ?
N2 C26 C27 120.3(15) . . ?
N2 C26 C25 118.7(14) . . ?
C27 C26 C25 121.0(14) . . ?
C28 C27 C26 117.2(15) . . ?
C27 C28 C29 122.3(15) . . ?
C30 C29 C28 118.8(14) . . ?
N2 C30 C29 119.7(13) . . ?
F3 C31 F1 104.9(18) . . ?
F3 C31 F2 105(2) . . ?
F1 C31 F2 105.2(16) . . ?
F3 C31 C32 111.4(15) . . ?
F1 C31 C32 118.2(19) . . ?
F2 C31 C32 111.1(15) . . ?
O1 C32 C33 128.5(15) . . ?
O1 C32 C31 117.9(15) . . ?
C33 C32 C31 113.6(15) . . ?
C32 C33 C34 119.7(14) . . ?
O2 C34 C33 124.9(14) . . ?
O2 C34 C35 113.9(16) . . ?
C33 C34 C35 120.8(16) . . ?
F5 C35 F6 112(3) . . ?
F5 C35 F4 108.0(18) . . ?
F6 C35 F4 102(2) . . ?
F5 C35 C34 112.9(19) . . ?
F6 C35 C34 113.4(15) . . ?
F4 C35 C34 108(2) . . ?
F7 C36 F9 112.3(19) . . ?
F7 C36 F8 108.1(17) . . ?
F9 C36 F8 103.6(14) . . ?
F7 C36 C37 116.5(15) . . ?
F9 C36 C37 109.4(17) . . ?
F8 C36 C37 106.0(17) . . ?
O3 C37 C38 133.0(14) . . ?
O3 C37 C36 108.7(16) . . ?
C38 C37 C36 118.3(15) . . ?
C39 C38 C37 117.4(15) . . ?
O4 C39 C38 125.9(16) . . ?
O4 C39 C40 119.2(17) . . ?
C38 C39 C40 114.4(18) . . ?
F10 C40 F12 110(2) . . ?
F10 C40 F11 111.7(18) . . ?
F12 C40 F11 101.6(18) . . ?
F10 C40 C39 112.3(18) . . ?
F12 C40 C39 109.3(16) . . ?
F11 C40 C39 111.4(17) . . ?
F15 C41 F13 109(2) . . ?
F15 C41 F14 110(2) . . ?
F13 C41 F14 98.3(19) . . ?
F15 C41 C42 120(2) . . ?
F13 C41 C42 109.8(18) . . ?
F14 C41 C42 106.9(18) . . ?
O5 C42 C43 128.1(14) . . ?
O5 C42 C41 118.8(18) . . ?
C43 C42 C41 113.1(17) . . ?
C44 C43 C42 119.2(15) . . ?
O6 C44 C43 125.1(15) . . ?
O6 C44 C45 117.3(14) . . ?
C43 C44 C45 117.6(14) . . ?
F16 C45 F17 106.1(17) . . ?
F16 C45 F18 106.8(15) . . ?
F17 C45 F18 108.5(16) . . ?
F16 C45 C44 113.5(15) . . ?
F17 C45 C44 112.2(15) . . ?
F18 C45 C44 109.6(16) . . ?
C25 N1 C1 115.3(12) . . ?
C25 N1 Dy1 115.8(8) . . ?
C1 N1 Dy1 128.7(9) . . ?
C30 N2 C26 121.6(13) . . ?
C30 N2 Dy1 117.4(10) . . ?
C26 N2 Dy1 115.6(9) . . ?
C32 O1 Dy1 133.8(11) . . ?
C34 O2 Dy1 134.4(10) . . ?
C37 O3 Dy1 129.9(10) . . ?
C39 O4 Dy1 135.8(11) . . ?
C42 O5 Dy1 135.8(10) . . ?
C44 O6 Dy1 137.9(10) . . ?
O5 Dy1 O3 96.3(4) . . ?
O5 Dy1 O1 101.5(4) . . ?
O3 Dy1 O1 136.9(4) . . ?
O5 Dy1 O4 77.3(4) . . ?
O3 Dy1 O4 73.6(3) . . ?
O1 Dy1 O4 72.5(4) . . ?
O5 Dy1 O2 152.2(4) . . ?
O3 Dy1 O2 75.2(3) . . ?
O1 Dy1 O2 70.8(4) . . ?
O4 Dy1 O2 74.9(4) . . ?
O5 Dy1 O6 71.1(4) . . ?
O3 Dy1 O6 71.9(4) . . ?
O1 Dy1 O6 151.1(4) . . ?
O4 Dy1 O6 129.6(4) . . ?
O2 Dy1 O6 128.0(4) . . ?
O5 Dy1 N2 133.9(4) . . ?
O3 Dy1 N2 91.9(4) . . ?
O1 Dy1 N2 102.8(4) . . ?
O4 Dy1 N2 147.7(4) . . ?
O2 Dy1 N2 73.5(4) . . ?
O6 Dy1 N2 68.6(4) . . ?
O5 Dy1 N1 83.0(4) . . ?
O3 Dy1 N1 145.1(4) . . ?
O1 Dy1 N1 76.4(4) . . ?
O4 Dy1 N1 138.7(3) . . ?
O2 Dy1 N1 119.2(4) . . ?
O6 Dy1 N1 75.0(4) . . ?
N2 Dy1 N1 65.7(4) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.894
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.220


####################################################################### 
# 
# 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_import-fpr772
_database_code_depnum_ccdc_archive 'CCDC 1511878'
_audit_update_record             
;
2016-10-26 deposited with the CCDC.
2016-11-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H28 Dy F18 N2 O6'
_chemical_formula_weight         1233.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   13.2160(5)
_cell_length_b                   13.9132(6)
_cell_length_c                   14.5959(6)
_cell_angle_alpha                67.984(2)
_cell_angle_beta                 72.454(2)
_cell_angle_gamma                84.724(2)
_cell_volume                     2371.71(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9927
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.43

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.37
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1212
_exptl_absorpt_coefficient_mu    1.698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5892
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(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  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38886
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         27.46
_reflns_number_total             10755
_reflns_number_gt                9745
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0644P)²+3.7782P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10755
_refine_ls_number_parameters     701
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_ref         0.1116
_refine_ls_wR_factor_gt          0.1012
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.102
_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
C1 C 0.6122(3) 0.4082(3) 0.6425(3) 0.0256(7) Uani 1 1 d . . .
C2 C 0.7229(3) 0.4146(3) 0.6334(3) 0.0311(7) Uani 1 1 d . . .
H2 H 0.7729 0.3819 0.5954 0.037 Uiso 1 1 calc R . .
C3 C 0.7537(3) 0.4688(3) 0.6810(3) 0.0341(8) Uani 1 1 d . . .
H3 H 0.8258 0.4771 0.6707 0.041 Uiso 1 1 calc R . .
C4 C 0.6790(3) 0.5138(3) 0.7465(3) 0.0334(8) Uani 1 1 d . . .
C5 C 0.7157(4) 0.5785(3) 0.7863(3) 0.0407(9) Uani 1 1 d . . .
H5 H 0.7880 0.5851 0.7764 0.049 Uiso 1 1 calc R . .
C6 C 0.6453(4) 0.6304(3) 0.8386(3) 0.0423(10) Uani 1 1 d . . .
H6 H 0.6701 0.6795 0.8563 0.051 Uiso 1 1 calc R . .
C7 C 0.5344(4) 0.6112(3) 0.8670(3) 0.0382(9) Uani 1 1 d . . .
C8 C 0.4611(5) 0.6694(4) 0.9193(4) 0.0490(11) Uani 1 1 d . . .
H8 H 0.4867 0.7198 0.9347 0.059 Uiso 1 1 calc R . .
C9 C 0.3553(4) 0.6523(4) 0.9466(4) 0.0501(12) Uani 1 1 d . . .
H9 H 0.3087 0.6976 0.9708 0.060 Uiso 1 1 calc R . .
C10 C 0.3146(4) 0.5654(4) 0.9386(3) 0.0418(10) Uani 1 1 d . . .
C11 C 0.2032(4) 0.5415(4) 0.9774(3) 0.0516(12) Uani 1 1 d . . .
H11 H 0.1571 0.5875 1.0010 0.062 Uiso 1 1 calc R . .
C12 C 0.1630(4) 0.4543(4) 0.9807(3) 0.0510(12) Uani 1 1 d . . .
H12 H 0.0898 0.4440 1.0005 0.061 Uiso 1 1 calc R . .
C13 C 0.2317(3) 0.3778(4) 0.9540(3) 0.0427(10) Uani 1 1 d . . .
C14 C 0.1914(4) 0.2804(4) 0.9702(4) 0.0562(13) Uani 1 1 d . . .
H14 H 0.1184 0.2692 0.9904 0.067 Uiso 1 1 calc R . .
C15 C 0.2576(4) 0.2022(4) 0.9567(4) 0.0578(13) Uani 1 1 d . . .
H15 H 0.2298 0.1386 0.9671 0.069 Uiso 1 1 calc R . .
C16 C 0.3678(4) 0.2187(4) 0.9269(4) 0.0459(10) Uani 1 1 d . . .
H16 H 0.4131 0.1648 0.9209 0.055 Uiso 1 1 calc R . .
C17 C 0.4094(3) 0.3137(3) 0.9067(3) 0.0332(8) Uani 1 1 d . . .
H17 H 0.4827 0.3232 0.8865 0.040 Uiso 1 1 calc R . .
C18 C 0.3436(3) 0.3980(3) 0.9159(3) 0.0329(8) Uani 1 1 d . . .
C19 C 0.3849(3) 0.4996(3) 0.8959(3) 0.0330(8) Uani 1 1 d . . .
C20 C 0.4949(3) 0.5344(3) 0.8431(3) 0.0323(8) Uani 1 1 d . . .
C21 C 0.5689(3) 0.4985(3) 0.7668(3) 0.0287(7) Uani 1 1 d . . .
C22 C 0.5365(3) 0.4559(3) 0.7028(3) 0.0251(6) Uani 1 1 d . . .
C23 C 0.4343(3) 0.4675(3) 0.6882(3) 0.0265(7) Uani 1 1 d . . .
H23 H 0.3835 0.5042 0.7208 0.032 Uiso 1 1 calc R . .
C24 C 0.4097(3) 0.4249(3) 0.6267(3) 0.0253(7) Uani 1 1 d . . .
H24 H 0.3431 0.4344 0.6159 0.030 Uiso 1 1 calc R . .
C25 C 0.4857(3) 0.3668(3) 0.5799(2) 0.0236(6) Uani 1 1 d . . .
C26 C 0.4610(3) 0.3163(3) 0.5156(3) 0.0248(6) Uani 1 1 d . . .
C27 C 0.3588(3) 0.3091(3) 0.5117(3) 0.0339(8) Uani 1 1 d . . .
H27 H 0.3024 0.3349 0.5513 0.041 Uiso 1 1 calc R . .
C28 C 0.3405(3) 0.2628(4) 0.4479(3) 0.0395(9) Uani 1 1 d . . .
H28 H 0.2722 0.2574 0.4446 0.047 Uiso 1 1 calc R . .
C29 C 0.4256(3) 0.2253(3) 0.3901(3) 0.0374(8) Uani 1 1 d . . .
H29 H 0.4162 0.1946 0.3465 0.045 Uiso 1 1 calc R . .
C30 C 0.5255(3) 0.2346(3) 0.3984(3) 0.0335(8) Uani 1 1 d . . .
H30 H 0.5829 0.2090 0.3595 0.040 Uiso 1 1 calc R . .
C31 C 0.4187(4) -0.0062(4) 0.7512(4) 0.0518(12) Uani 1 1 d . . .
C35 C 0.6787(5) 0.1107(4) 0.8784(4) 0.0595(14) Uani 1 1 d . . .
C36 C 1.0251(4) 0.2417(4) 0.5790(5) 0.0524(12) Uani 1 1 d . . .
C40 C 0.8462(5) -0.0972(4) 0.6632(5) 0.0573(14) Uani 1 1 d . . .
C41 C 0.9139(3) 0.5004(3) 0.2813(3) 0.0403(9) Uani 1 1 d . . .
C42 C 0.8528(3) 0.3972(3) 0.3200(3) 0.0312(8) Uani 1 1 d . A .
C43 C 0.8889(3) 0.3305(3) 0.2666(3) 0.0367(8) Uani 1 1 d . . .
H43 H 0.9487 0.3492 0.2096 0.044 Uiso 1 1 calc R . .
C44 C 0.8367(3) 0.2361(3) 0.2972(3) 0.0333(8) Uani 1 1 d . A .
C45 C 0.8664(3) 0.1734(4) 0.2263(4) 0.0432(10) Uani 1 1 d . . .
C46 C 0.9373(12) 0.2266(11) -0.0949(12) 0.179(6) Uani 1 1 d . . .
H46A H 0.9482 0.2823 -0.1607 0.268 Uiso 1 1 calc R . .
H46B H 0.9586 0.2492 -0.0488 0.268 Uiso 1 1 calc R . .
H46C H 0.8636 0.2062 -0.0667 0.268 Uiso 1 1 calc R . .
C47 C 1.0073(16) 0.1291(13) -0.1095(12) 0.198(7) Uani 1 1 d . . .
H47A H 1.0826 0.1462 -0.1343 0.237 Uiso 1 1 calc R . .
H47B H 0.9885 0.1055 -0.1571 0.237 Uiso 1 1 calc R . .
C48 C 0.9748(12) 0.0418(11) 0.0079(12) 0.162(5) Uani 1 1 d . . .
H48A H 1.0004 0.0619 0.0540 0.194 Uiso 1 1 calc R . .
H48B H 0.8986 0.0297 0.0355 0.194 Uiso 1 1 calc R . .
N1 N 0.5848(2) 0.3594(2) 0.5867(2) 0.0239(6) Uani 1 1 d . . .
N2 N 0.5439(2) 0.2783(2) 0.4595(2) 0.0272(6) Uani 1 1 d . . .
O1 O 0.5545(2) 0.1117(2) 0.6305(2) 0.0351(6) Uani 1 1 d . . .
O2 O 0.6931(2) 0.1821(2) 0.7034(2) 0.0354(6) Uani 1 1 d . . .
O3 O 0.8731(2) 0.2456(2) 0.5293(2) 0.0353(6) Uani 1 1 d . . .
O4 O 0.7721(2) 0.0579(2) 0.5783(2) 0.0357(6) Uani 1 1 d . . .
O5 O 0.77419(19) 0.3841(2) 0.3987(2) 0.0318(5) Uani 1 1 d . . .
O6 O 0.7630(2) 0.1942(2) 0.3781(2) 0.0339(6) Uani 1 1 d . . .
F1 F 0.3989(6) -0.0809(5) 0.8374(5) 0.187(4) Uani 1 1 d . A .
F2 F 0.4122(5) -0.0389(6) 0.6864(5) 0.170(4) Uani 1 1 d . A .
F3 F 0.3393(4) 0.0509(5) 0.7612(8) 0.181(4) Uani 1 1 d . A .
F4 F 0.6238(5) 0.0426(4) 0.9638(3) 0.1100(17) Uani 1 1 d . A .
F5 F 0.6654(4) 0.2018(3) 0.8908(3) 0.0820(11) Uani 1 1 d . A .
F6 F 0.7761(4) 0.0831(5) 0.8680(4) 0.1091(16) Uani 1 1 d . A .
F7 F 0.9819(4) 0.2989(4) 0.6369(5) 0.1126(18) Uani 1 1 d . A .
F8 F 1.0756(2) 0.3077(3) 0.4863(3) 0.0807(12) Uani 1 1 d . A .
F9 F 1.0937(3) 0.1819(3) 0.6188(3) 0.0847(12) Uani 1 1 d . A .
F10 F 0.7979(7) -0.1304(4) 0.7582(5) 0.190(4) Uani 1 1 d . A .
F11 F 0.9432(4) -0.1331(3) 0.6568(5) 0.127(2) Uani 1 1 d . A .
F12 F 0.8133(5) -0.1433(3) 0.6158(5) 0.136(2) Uani 1 1 d . A .
F13 F 0.9591(4) 0.5010(3) 0.3500(3) 0.0907(13) Uani 1 1 d . . .
F14 F 0.8507(2) 0.5797(2) 0.2671(3) 0.0774(11) Uani 1 1 d . . .
F15 F 0.9907(3) 0.5173(3) 0.1947(3) 0.0890(13) Uani 1 1 d . . .
F16 F 0.8791(3) 0.0749(3) 0.2770(3) 0.0631(8) Uani 1 1 d . . .
F17 F 0.7907(3) 0.1791(3) 0.1828(2) 0.0604(8) Uani 1 1 d . . .
F18 F 0.9560(3) 0.2084(3) 0.1505(3) 0.0843(13) Uani 1 1 d . . .
Dy1 Dy 0.700025(11) 0.225916(12) 0.530041(12) 0.02630(7) Uani 1 1 d . A .
C32 C 0.5188(4) 0.0572(4) 0.7222(4) 0.0366(11) Uani 0.862(5) 1 d P A 1
C33 C 0.55811(16) 0.05092(16) 0.80304(17) 0.0433(12) Uani 0.862(5) 1 d P A 1
H33 H 0.5280 0.0033 0.8691 0.052 Uiso 0.862(5) 1 calc PR A 1
C34 C 0.64205(16) 0.11557(16) 0.78532(17) 0.0357(10) Uani 0.862(5) 1 d PR A 1
C37 C 0.93397(16) 0.18544(16) 0.57239(17) 0.0335(10) Uani 0.862(5) 1 d PR A 1
C38 C 0.92867(16) 0.07720(16) 0.61550(17) 0.0394(11) Uani 0.862(5) 1 d PR A 1
H38 H 0.9796 0.0413 0.6469 0.047 Uiso 0.862(5) 1 d PR A 1
C39 C 0.84707(16) 0.02232(16) 0.61181(17) 0.0346(10) Uani 0.862(5) 1 d PR A 1
C32A C 0.73898(16) -0.01719(16) 0.66108(17) 0.029(6) Uani 0.138(5) 1 d PR A 2
C33A C 0.63658(16) -0.04339(16) 0.72248(17) 0.032(6) Uani 0.138(5) 1 d PR A 2
H33A H 0.6227 -0.1034 0.7814 0.039 Uiso 0.138(5) 1 calc PR A 2
C34A C 0.56048(16) 0.01401(16) 0.69918(17) 0.036(7) Uani 0.138(5) 1 d PR A 2
C37A C 0.76168(16) 0.17361(16) 0.75798(17) 0.030(6) Uani 0.138(5) 1 d PR A 2
C38A C 0.86608(16) 0.17931(16) 0.72678(17) 0.035(6) Uani 0.138(5) 1 d PR A 2
H38A H 0.9055 0.1548 0.7738 0.042 Uiso 0.138(5) 1 calc PR A 2
C39A C 0.91718(16) 0.22471(16) 0.61778(17) 0.040(7) Uani 0.138(5) 1 d PR A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.375(5) . ?
C1 C22 1.415(5) . ?
C1 C2 1.437(5) . ?
C2 C3 1.354(6) . ?
C3 C4 1.431(6) . ?
C4 C21 1.414(5) . ?
C4 C5 1.422(6) . ?
C5 C6 1.353(7) . ?
C6 C7 1.420(7) . ?
C7 C20 1.424(6) . ?
C7 C8 1.432(6) . ?
C8 C9 1.350(8) . ?
C9 C10 1.424(7) . ?
C10 C19 1.418(5) . ?
C10 C11 1.431(7) . ?
C11 C12 1.347(8) . ?
C12 C13 1.425(7) . ?
C13 C14 1.412(7) . ?
C13 C18 1.427(5) . ?
C14 C15 1.368(8) . ?
C15 C16 1.403(7) . ?
C16 C17 1.371(6) . ?
C17 C18 1.418(5) . ?
C18 C19 1.456(6) . ?
C19 C20 1.454(6) . ?
C20 C21 1.455(5) . ?
C21 C22 1.453(5) . ?
C22 C23 1.415(5) . ?
C23 C24 1.368(5) . ?
C24 C25 1.408(5) . ?
C25 N1 1.335(4) . ?
C25 C26 1.483(5) . ?
C26 N2 1.352(4) . ?
C26 C27 1.384(5) . ?
C27 C28 1.397(6) . ?
C28 C29 1.378(6) . ?
C29 C30 1.384(5) . ?
C30 N2 1.337(5) . ?
C31 F2 1.221(7) . ?
C31 F3 1.262(7) . ?
C31 F1 1.266(7) . ?
C31 C32 1.517(6) . ?
C31 C34A 1.801(5) . ?
C35 F6 1.289(7) . ?
C35 F4 1.293(7) . ?
C35 F5 1.335(7) . ?
C35 C34 1.552(6) . ?
C35 C37A 1.709(6) . ?
C36 F9 1.292(6) . ?
C36 F8 1.326(7) . ?
C36 F7 1.342(7) . ?
C36 C39A 1.373(5) . ?
C36 C37 1.541(5) . ?
C40 F10 1.259(8) . ?
C40 F12 1.282(7) . ?
C40 F11 1.322(7) . ?
C40 C39 1.547(5) . ?
C40 C32A 1.720(5) . ?
C41 F14 1.311(5) . ?
C41 F13 1.315(6) . ?
C41 F15 1.316(5) . ?
C41 C42 1.538(6) . ?
C42 O5 1.261(4) . ?
C42 C43 1.389(6) . ?
C43 C44 1.393(6) . ?
C44 O6 1.256(5) . ?
C44 C45 1.534(6) . ?
C45 F16 1.314(6) . ?
C45 F17 1.320(5) . ?
C45 F18 1.332(5) . ?
C46 C47 1.61(2) . ?
C47 C48 1.64(2) . ?
C48 C48 1.35(2) 2_755 ?
N1 Dy1 2.515(3) . ?
N2 Dy1 2.508(3) . ?
O1 C32 1.230(6) . ?
O1 C34A 1.366(3) . ?
O1 Dy1 2.343(3) . ?
O2 C34 1.241(3) . ?
O2 C37A 1.347(4) . ?
O2 Dy1 2.345(3) . ?
O3 C37 1.237(3) . ?
O3 C39A 1.495(4) . ?
O3 Dy1 2.324(3) . ?
O4 C39 1.220(3) . ?
O4 C32A 1.250(4) . ?
O4 Dy1 2.372(3) . ?
O5 Dy1 2.363(3) . ?
O6 Dy1 2.315(3) . ?
F6 C37A 1.681(5) . ?
F7 C39A 1.548(4) . ?
C32 C33 1.398(6) . ?
C33 C34 1.3938 . ?
C37 C38 1.3968 . ?
C38 C39 1.4022 . ?
C32A C33A 1.3719 . ?
C33A C34A 1.2727 . ?
C37A C38A 1.3159 . ?
C38A C39A 1.4365 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C22 122.4(3) . . ?
N1 C1 C2 117.6(3) . . ?
C22 C1 C2 119.9(3) . . ?
C3 C2 C1 119.3(3) . . ?
C2 C3 C4 122.3(3) . . ?
C21 C4 C5 120.2(4) . . ?
C21 C4 C3 119.9(3) . . ?
C5 C4 C3 119.8(4) . . ?
C6 C5 C4 119.9(4) . . ?
C5 C6 C7 121.2(4) . . ?
C6 C7 C20 120.3(4) . . ?
C6 C7 C8 120.3(4) . . ?
C20 C7 C8 119.4(4) . . ?
C9 C8 C7 121.1(4) . . ?
C8 C9 C10 120.5(4) . . ?
C19 C10 C9 120.1(4) . . ?
C19 C10 C11 119.6(4) . . ?
C9 C10 C11 120.2(4) . . ?
C12 C11 C10 121.9(4) . . ?
C11 C12 C13 120.5(4) . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 C18 119.6(4) . . ?
C12 C13 C18 119.3(4) . . ?
C15 C14 C13 121.4(4) . . ?
C14 C15 C16 119.3(5) . . ?
C17 C16 C15 120.7(4) . . ?
C16 C17 C18 121.7(4) . . ?
C17 C18 C13 117.0(4) . . ?
C17 C18 C19 123.2(3) . . ?
C13 C18 C19 119.6(4) . . ?
C10 C19 C20 118.1(4) . . ?
C10 C19 C18 117.2(4) . . ?
C20 C19 C18 124.5(3) . . ?
C7 C20 C19 117.6(4) . . ?
C7 C20 C21 116.4(4) . . ?
C19 C20 C21 126.0(3) . . ?
C4 C21 C22 117.2(3) . . ?
C4 C21 C20 118.8(3) . . ?
C22 C21 C20 123.7(3) . . ?
C23 C22 C1 116.0(3) . . ?
C23 C22 C21 123.9(3) . . ?
C1 C22 C21 119.7(3) . . ?
C24 C23 C22 120.5(3) . . ?
C23 C24 C25 119.7(3) . . ?
N1 C25 C24 121.4(3) . . ?
N1 C25 C26 117.0(3) . . ?
C24 C25 C26 121.5(3) . . ?
N2 C26 C27 121.2(3) . . ?
N2 C26 C25 116.7(3) . . ?
C27 C26 C25 122.2(3) . . ?
C26 C27 C28 119.7(4) . . ?
C29 C28 C27 118.8(4) . . ?
C28 C29 C30 118.4(4) . . ?
N2 C30 C29 123.4(4) . . ?
F2 C31 F3 104.4(7) . . ?
F2 C31 F1 108.1(6) . . ?
F3 C31 F1 103.7(7) . . ?
F2 C31 C32 115.0(4) . . ?
F3 C31 C32 109.0(4) . . ?
F1 C31 C32 115.5(5) . . ?
F2 C31 C34A 93.5(4) . . ?
F3 C31 C34A 135.9(4) . . ?
F1 C31 C34A 108.5(5) . . ?
C32 C31 C34A 28.8(2) . . ?
F6 C35 F4 105.8(5) . . ?
F6 C35 F5 110.5(6) . . ?
F4 C35 F5 106.7(5) . . ?
F6 C35 C34 111.5(4) . . ?
F4 C35 C34 111.6(5) . . ?
F5 C35 C34 110.5(4) . . ?
F6 C35 C37A 66.5(3) . . ?
F4 C35 C37A 165.5(5) . . ?
F5 C35 C37A 87.7(4) . . ?
C34 C35 C37A 63.04(19) . . ?
F9 C36 F8 108.8(4) . . ?
F9 C36 F7 108.1(5) . . ?
F8 C36 F7 106.4(5) . . ?
F9 C36 C39A 124.4(5) . . ?
F8 C36 C39A 125.6(4) . . ?
F7 C36 C39A 69.5(3) . . ?
F9 C36 C37 115.2(4) . . ?
F8 C36 C37 110.2(4) . . ?
F7 C36 C37 107.7(4) . . ?
C39A C36 C37 38.48(13) . . ?
F10 C40 F12 111.5(7) . . ?
F10 C40 F11 105.1(6) . . ?
F12 C40 F11 101.3(5) . . ?
F10 C40 C39 113.3(5) . . ?
F12 C40 C39 113.0(4) . . ?
F11 C40 C39 111.8(5) . . ?
F10 C40 C32A 80.9(5) . . ?
F12 C40 C32A 90.5(4) . . ?
F11 C40 C32A 163.4(4) . . ?
C39 C40 C32A 52.18(16) . . ?
F14 C41 F13 107.3(4) . . ?
F14 C41 F15 107.8(4) . . ?
F13 C41 F15 106.1(4) . . ?
F14 C41 C42 111.8(3) . . ?
F13 C41 C42 109.9(4) . . ?
F15 C41 C42 113.6(4) . . ?
O5 C42 C43 128.0(4) . . ?
O5 C42 C41 113.9(3) . . ?
C43 C42 C41 118.2(3) . . ?
C42 C43 C44 121.0(3) . . ?
O6 C44 C43 127.4(4) . . ?
O6 C44 C45 113.1(4) . . ?
C43 C44 C45 119.5(3) . . ?
F16 C45 F17 107.7(4) . . ?
F16 C45 F18 107.2(4) . . ?
F17 C45 F18 107.2(4) . . ?
F16 C45 C44 112.0(4) . . ?
F17 C45 C44 110.0(3) . . ?
F18 C45 C44 112.5(4) . . ?
C46 C47 C48 102.4(13) . . ?
C48 C48 C47 101.4(16) 2_755 . ?
C25 N1 C1 119.0(3) . . ?
C25 N1 Dy1 117.4(2) . . ?
C1 N1 Dy1 122.2(2) . . ?
C30 N2 C26 118.6(3) . . ?
C30 N2 Dy1 120.4(2) . . ?
C26 N2 Dy1 115.9(2) . . ?
C32 O1 C34A 38.7(3) . . ?
C32 O1 Dy1 136.2(3) . . ?
C34A O1 Dy1 124.55(18) . . ?
C34 O2 C37A 82.6(2) . . ?
C34 O2 Dy1 133.4(2) . . ?
C37A O2 Dy1 137.52(19) . . ?
C37 O3 C39A 40.36(11) . . ?
C37 O3 Dy1 132.7(2) . . ?
C39A O3 Dy1 129.61(17) . . ?
C39 O4 C32A 71.62(19) . . ?
C39 O4 Dy1 133.2(2) . . ?
C32A O4 Dy1 127.4(2) . . ?
C42 O5 Dy1 127.9(2) . . ?
C44 O6 Dy1 131.9(3) . . ?
C35 F6 C37A 68.8(3) . . ?
C36 F7 C39A 56.2(2) . . ?
O6 Dy1 O3 90.23(10) . . ?
O6 Dy1 O1 105.65(10) . . ?
O3 Dy1 O1 138.18(10) . . ?
O6 Dy1 O2 149.52(10) . . ?
O3 Dy1 O2 74.34(10) . . ?
O1 Dy1 O2 72.77(10) . . ?
O6 Dy1 O5 73.24(9) . . ?
O3 Dy1 O5 70.63(9) . . ?
O1 Dy1 O5 150.75(9) . . ?
O2 Dy1 O5 123.18(10) . . ?
O6 Dy1 O4 75.11(10) . . ?
O3 Dy1 O4 72.82(9) . . ?
O1 Dy1 O4 74.38(9) . . ?
O2 Dy1 O4 75.25(10) . . ?
O5 Dy1 O4 130.78(9) . . ?
O6 Dy1 N2 79.37(10) . . ?
O3 Dy1 N2 153.51(10) . . ?
O1 Dy1 N2 68.31(10) . . ?
O2 Dy1 N2 124.98(9) . . ?
O5 Dy1 N2 83.02(9) . . ?
O4 Dy1 N2 126.35(10) . . ?
O6 Dy1 N1 135.79(9) . . ?
O3 Dy1 N1 109.80(9) . . ?
O1 Dy1 N1 85.50(9) . . ?
O2 Dy1 N1 74.68(9) . . ?
O5 Dy1 N1 76.97(9) . . ?
O4 Dy1 N1 147.63(10) . . ?
N2 Dy1 N1 65.09(10) . . ?
O1 C32 C33 126.8(4) . . ?
O1 C32 C31 116.5(5) . . ?
C33 C32 C31 116.6(4) . . ?
C34 C33 C32 120.4(2) . . ?
O2 C34 C33 129.27(17) . . ?
O2 C34 C35 112.0(3) . . ?
C33 C34 C35 118.7(2) . . ?
O3 C37 C38 128.67(16) . . ?
O3 C37 C36 113.1(3) . . ?
C38 C37 C36 118.2(2) . . ?
C37 C38 C39 120.5 . . ?
O4 C39 C38 127.55(16) . . ?
O4 C39 C40 115.3(3) . . ?
C38 C39 C40 116.9(2) . . ?
O4 C32A C33A 128.74(15) . . ?
O4 C32A C40 103.1(3) . . ?
C33A C32A C40 126.4(2) . . ?
C34A C33A C32A 120.3 . . ?
C33A C34A O1 134.28(14) . . ?
C33A C34A C31 131.36(18) . . ?
O1 C34A C31 94.3(2) . . ?
C38A C37A O2 129.22(14) . . ?
C38A C37A F6 85.39(18) . . ?
O2 C37A F6 132.5(3) . . ?
C38A C37A C35 129.1(2) . . ?
O2 C37A C35 98.1(3) . . ?
F6 C37A C35 44.7(2) . . ?
C37A C38A C39A 117.8 . . ?
C36 C39A C38A 121.7(3) . . ?
C36 C39A O3 108.1(3) . . ?
C38A C39A O3 129.52(13) . . ?
C36 C39A F7 54.3(3) . . ?
C38A C39A F7 89.9(2) . . ?
O3 C39A F7 128.6(3) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.376
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.159

