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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_S-2
_database_code_depnum_ccdc_archive 'CCDC 1527499'
_audit_update_record             
;
2017-03-14 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H19 N2, C20 H4 Dy F24 O8'
_chemical_formula_sum            'C37 H23 Dy F24 N2 O8'
_chemical_formula_weight         1242.07

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   18.3227(7)
_cell_length_b                   21.8362(9)
_cell_length_c                   11.4317(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4573.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7517
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      26.20

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_F_000             2420
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    1.782
_shelx_estimated_absorpt_T_min   0.599
_shelx_estimated_absorpt_T_max   0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5859
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25164
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.998
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             8927
_reflns_number_gt                5410
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.799
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    0.997

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_cell_refinement       APEX2
_computing_data_reduction        APEX2
_computing_structure_solution    'SHELXS (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0290P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_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 x determined using 2014 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.020(16)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         8927
_refine_ls_number_parameters     779
_refine_ls_number_restraints     1181
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0358
_refine_ls_wR_factor_ref         0.0764
_refine_ls_wR_factor_gt          0.0647
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.048
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.1232(9) 0.8518(8) 0.5470(13) 0.058(5) Uani 0.771(8) 1 d D U P A 1
F1A F 0.0702(7) 0.8131(4) 0.5204(10) 0.055(3) Uani 0.771(8) 1 d D U P A 1
F2A F 0.1340(9) 0.8455(5) 0.6629(11) 0.075(5) Uani 0.771(8) 1 d D U P A 1
F3A F 0.1840(6) 0.8366(5) 0.4898(12) 0.071(4) Uani 0.771(8) 1 d D U P A 1
C1B C 0.0391(7) 0.8949(7) -0.0184(14) 0.047(5) Uani 0.771(8) 1 d D U P A 1
F1B F 0.0119(7) 0.9037(7) -0.1233(8) 0.085(4) Uani 0.771(8) 1 d D U P A 1
F2B F 0.1064(5) 0.9173(7) -0.0149(11) 0.080(5) Uani 0.771(8) 1 d D U P A 1
F3B F 0.0437(6) 0.8344(5) -0.0011(11) 0.085(4) Uani 0.771(8) 1 d D U P A 1
C1C C 0.3688(7) 1.1428(7) 0.4538(11) 0.048(4) Uani 0.771(8) 1 d D U P A 1
F1C F 0.3391(7) 1.1487(5) 0.3507(10) 0.080(4) Uani 0.771(8) 1 d D U P A 1
F2C F 0.4247(6) 1.1823(4) 0.4620(11) 0.064(4) Uani 0.771(8) 1 d D U P A 1
F3C F 0.3204(6) 1.1638(5) 0.5328(12) 0.076(4) Uani 0.771(8) 1 d D U P A 1
C1D C 0.5404(8) 0.8997(7) 1.0196(14) 0.044(4) Uani 0.771(8) 1 d D U P A 1
F1D F 0.5476(8) 0.8391(5) 1.0133(12) 0.087(5) Uani 0.771(8) 1 d D U P A 1
F2D F 0.6082(6) 0.9197(7) 1.0211(13) 0.092(5) Uani 0.771(8) 1 d D U P A 1
F3D F 0.5123(8) 0.9143(8) 1.1198(10) 0.104(5) Uani 0.771(8) 1 d D U P A 1
C5A C 0.1218(9) 1.0731(7) 0.6569(13) 0.048(5) Uani 0.771(8) 1 d D U P A 1
F4A F 0.0791(7) 1.1217(5) 0.6604(11) 0.073(4) Uani 0.771(8) 1 d D U P A 1
F5A F 0.1270(7) 1.0537(5) 0.7670(8) 0.057(3) Uani 0.771(8) 1 d D U P A 1
F6A F 0.1878(7) 1.0925(6) 0.6244(12) 0.085(5) Uani 0.771(8) 1 d D U P A 1
C5B C -0.2107(8) 0.9491(7) 0.1292(13) 0.052(4) Uani 0.771(8) 1 d D U P A 1
F4B F -0.2275(5) 0.9404(5) 0.0173(8) 0.055(3) Uani 0.771(8) 1 d D U P A 1
F5B F -0.2373(5) 1.0037(6) 0.1593(12) 0.078(4) Uani 0.771(8) 1 d D U P A 1
F6B F -0.2429(5) 0.9078(7) 0.1934(12) 0.082(4) Uani 0.771(8) 1 d D U P A 1
C5C C 0.3796(8) 0.9211(7) 0.3375(14) 0.050(5) Uani 0.771(8) 1 d D U P A 1
F4C F 0.4279(6) 0.8767(4) 0.3309(10) 0.060(3) Uani 0.771(8) 1 d D U P A 1
F5C F 0.3677(8) 0.9441(5) 0.2320(9) 0.061(4) Uani 0.771(8) 1 d D U P A 1
F6C F 0.3178(6) 0.8961(5) 0.3790(11) 0.073(4) Uani 0.771(8) 1 d D U P A 1
C5D C 0.2930(8) 0.9285(7) 0.8533(13) 0.049(4) Uani 0.771(8) 1 d D U P A 1
F4D F 0.2511(5) 0.9755(5) 0.8243(13) 0.080(4) Uani 0.771(8) 1 d D U P A 1
F5D F 0.2746(7) 0.9118(9) 0.9607(12) 0.075(5) Uani 0.771(8) 1 d D U P A 1
F6D F 0.2725(6) 0.8830(5) 0.7844(12) 0.083(4) Uani 0.771(8) 1 d D U P A 1
C1A' C 0.1144(17) 0.8513(12) 0.555(3) 0.061(9) Uiso 0.229(8) 1 d D U P A 2
F1A' F 0.0519(18) 0.8205(12) 0.564(4) 0.077(11) Uiso 0.229(8) 1 d D U P A 2
F2A' F 0.147(3) 0.8500(18) 0.660(3) 0.085(13) Uiso 0.229(8) 1 d D U P A 2
F3A' F 0.1578(17) 0.8225(12) 0.479(4) 0.061(10) Uiso 0.229(8) 1 d D U P A 2
C1B' C 0.0356(14) 0.9029(11) -0.029(2) 0.060(9) Uiso 0.229(8) 1 d D U P A 2
F1B' F 0.0105(15) 0.8501(9) -0.070(2) 0.047(6) Uiso 0.229(8) 1 d D U P A 2
F2B' F 0.1051(11) 0.8941(16) -0.001(3) 0.056(9) Uiso 0.229(8) 1 d D U P A 2
F3B' F 0.0309(15) 0.9445(10) -0.1125(18) 0.044(7) Uiso 0.229(8) 1 d D U P A 2
C1C' C 0.3683(12) 1.1422(11) 0.451(2) 0.057(9) Uiso 0.229(8) 1 d D U P A 2
F1C' F 0.3742(17) 1.1517(13) 0.3366(16) 0.057(10) Uiso 0.229(8) 1 d D U P A 2
F2C' F 0.4037(14) 1.1873(9) 0.503(3) 0.057(10) Uiso 0.229(8) 1 d D U P A 2
F3C' F 0.2980(9) 1.1483(12) 0.476(3) 0.068(9) Uiso 0.229(8) 1 d D U P A 2
C1D' C 0.5349(14) 0.8991(12) 1.023(2) 0.064(9) Uiso 0.229(8) 1 d D U P A 2
F1D' F 0.5850(14) 0.8574(14) 1.000(2) 0.059(8) Uiso 0.229(8) 1 d D U P A 2
F2D' F 0.568(2) 0.9412(12) 1.086(3) 0.085(9) Uiso 0.229(8) 1 d D U P A 2
F3D' F 0.4895(14) 0.8716(15) 1.096(2) 0.073(9) Uiso 0.229(8) 1 d D U P A 2
C5A' C 0.1170(14) 1.0759(12) 0.654(2) 0.054(9) Uiso 0.229(8) 1 d D U P A 2
F4A' F 0.0605(15) 1.1083(12) 0.692(3) 0.057(10) Uiso 0.229(8) 1 d D U P A 2
F5A' F 0.1523(16) 1.0539(15) 0.747(2) 0.050(9) Uiso 0.229(8) 1 d D U P A 2
F6A' F 0.1623(15) 1.1165(11) 0.606(3) 0.051(9) Uiso 0.229(8) 1 d D U P A 2
C5B' C -0.2111(14) 0.9478(14) 0.135(3) 0.061(9) Uiso 0.229(8) 1 d D U P A 2
F4B' F -0.2293(16) 0.9159(16) 0.041(3) 0.055(10) Uiso 0.229(8) 1 d D U P A 2
F5B' F -0.2360(16) 1.0044(15) 0.122(3) 0.068(11) Uiso 0.229(8) 1 d D U P A 2
F6B' F -0.2440(15) 0.9234(19) 0.226(3) 0.067(11) Uiso 0.229(8) 1 d D U P A 2
C5C' C 0.3650(15) 0.9248(12) 0.343(2) 0.062(9) Uiso 0.229(8) 1 d D U P A 2
F4C' F 0.3836(17) 0.8681(9) 0.373(3) 0.067(8) Uiso 0.229(8) 1 d D U P A 2
F5C' F 0.385(2) 0.9346(16) 0.2326(18) 0.068(11) Uiso 0.229(8) 1 d D U P A 2
F6C' F 0.2925(12) 0.9288(14) 0.348(3) 0.079(10) Uiso 0.229(8) 1 d D U P A 2
C5D' C 0.2920(14) 0.9423(15) 0.856(3) 0.061(9) Uiso 0.229(8) 1 d D U P A 2
F4D' F 0.2645(14) 0.9980(14) 0.847(4) 0.054(10) Uiso 0.229(8) 1 d D U P A 2
F5D' F 0.271(2) 0.921(3) 0.959(4) 0.078(12) Uiso 0.229(8) 1 d D U P A 2
F6D' F 0.2591(15) 0.9090(15) 0.775(4) 0.056(10) Uiso 0.229(8) 1 d D U P A 2
C2A C 0.1003(7) 0.9176(6) 0.5163(12) 0.037(4) Uani 1 1 d D . . . .
C3A C 0.1114(8) 0.9653(7) 0.5981(14) 0.048(5) Uani 1 1 d . . . . .
H3A H 0.1304 0.9556 0.6731 0.058 Uiso 1 1 calc R U . . .
C4A C 0.0956(7) 1.0260(6) 0.5719(13) 0.036(4) Uani 1 1 d D . . . .
C2B C -0.0093(6) 0.9233(5) 0.0806(10) 0.023(3) Uani 1 1 d D . . . .
C3B C -0.0808(8) 0.9310(6) 0.0610(14) 0.042(4) Uani 1 1 d . . . . .
H3B H -0.1001 0.9247 -0.0152 0.051 Uiso 1 1 calc R U . . .
C4B C -0.1276(7) 0.9486(5) 0.1534(12) 0.037(4) Uani 1 1 d D . . . .
C2C C 0.3956(7) 1.0781(7) 0.4860(12) 0.039(4) Uani 1 1 d D . . . .
C3C C 0.3835(8) 1.0331(6) 0.4052(15) 0.046(4) Uani 1 1 d . . . . .
H3C H 0.3611 1.0435 0.3329 0.056 Uiso 1 1 calc R U . . .
C4C C 0.4030(7) 0.9729(7) 0.4257(13) 0.041(4) Uani 1 1 d D . . . .
C2D C 0.4986(9) 0.9235(5) 0.9166(13) 0.051(4) Uani 1 1 d D U . . .
C3D C 0.4186(8) 0.9250(7) 0.9331(15) 0.047(4) Uani 1 1 d . . . . .
H3D H 0.3980 0.9146 1.0068 0.056 Uiso 1 1 calc R U . . .
C4D C 0.3730(8) 0.9419(6) 0.8390(13) 0.048(4) Uani 1 1 d D . . . .
C6 C 0.0579(4) 0.7585(6) 0.2657(6) 0.031(2) Uani 1 1 d . . . . .
C7 C 0.1006(6) 0.7097(5) 0.2412(10) 0.035(3) Uani 1 1 d . . . . .
H7 H 0.0823 0.6693 0.2508 0.043 Uiso 1 1 calc R U . . .
C8 C 0.1737(6) 0.7196(6) 0.2007(11) 0.034(3) Uani 1 1 d . . . . .
C9 C 0.1982(6) 0.7799(6) 0.1911(11) 0.031(3) Uani 1 1 d . . . . .
C10 C 0.1544(5) 0.8269(4) 0.2181(8) 0.039(2) Uani 1 1 d . . . . .
H10 H 0.1716 0.8678 0.2122 0.047 Uiso 1 1 calc R U . . .
C11 C 0.2235(5) 0.6682(4) 0.1725(8) 0.041(2) Uani 1 1 d . . . . .
H11A H 0.2028 0.6434 0.1080 0.049 Uiso 1 1 calc R U . . .
H11B H 0.2294 0.6414 0.2417 0.049 Uiso 1 1 calc R U . . .
C12 C 0.2959(6) 0.6936(5) 0.1370(12) 0.044(3) Uani 1 1 d . . . . .
H12 H 0.3332 0.6615 0.1189 0.052 Uiso 1 1 calc R U . . .
C13 C 0.2913(4) 0.7448(7) 0.0440(7) 0.040(2) Uani 1 1 d . . . . .
C14 C 0.2775(6) 0.7879(5) 0.1496(12) 0.050(4) Uani 1 1 d . . . . .
H14 H 0.2964 0.8307 0.1433 0.059 Uiso 1 1 calc R U . . .
C15 C 0.3658(4) 0.7570(8) -0.0152(8) 0.060(3) Uani 1 1 d . . . . .
H15A H 0.4041 0.7588 0.0446 0.090 Uiso 1 1 calc R U . . .
H15B H 0.3767 0.7239 -0.0704 0.090 Uiso 1 1 calc R U . . .
H15C H 0.3638 0.7961 -0.0573 0.090 Uiso 1 1 calc R U . . .
C16 C 0.2334(5) 0.7422(8) -0.0508(7) 0.058(3) Uani 1 1 d . . . . .
H16A H 0.2383 0.7780 -0.1019 0.087 Uiso 1 1 calc R U . . .
H16B H 0.2396 0.7048 -0.0969 0.087 Uiso 1 1 calc R U . . .
H16C H 0.1849 0.7423 -0.0146 0.087 Uiso 1 1 calc R U . . .
C17 C 0.3226(4) 0.7424(7) 0.2243(8) 0.047(3) Uani 1 1 d . . . . .
H17A H 0.3759 0.7497 0.2228 0.056 Uiso 1 1 calc R U . . .
H17B H 0.3045 0.7369 0.3052 0.056 Uiso 1 1 calc R U . . .
C18 C -0.0192(4) 0.7543(7) 0.3082(6) 0.035(2) Uani 1 1 d . . . . .
C19 C -0.0526(7) 0.7003(6) 0.3383(13) 0.041(3) Uani 1 1 d . . . . .
H19 H -0.0275 0.6623 0.3331 0.049 Uiso 1 1 calc R U . . .
C20 C -0.1237(7) 0.7033(6) 0.3763(13) 0.049(4) Uani 1 1 d . . . . .
H20 H -0.1488 0.6666 0.3954 0.059 Uiso 1 1 calc R U . . .
C21 C -0.1580(5) 0.7570(9) 0.3868(8) 0.052(3) Uani 1 1 d . . . . .
H21 H -0.2070 0.7586 0.4136 0.062 Uiso 1 1 calc R U . . .
C22 C -0.1205(7) 0.8110(6) 0.3577(14) 0.047(4) Uani 1 1 d . . . . .
H22 H -0.1442 0.8493 0.3675 0.057 Uiso 1 1 calc R U . . .
Dy1 Dy 0.0000 1.0000 0.33155(7) 0.0244(2) Uani 1 2 d S T P . .
Dy2 Dy 0.5000 1.0000 0.66630(7) 0.0268(2) Uani 1 2 d S T P . .
N1 N 0.0862(5) 0.8158(4) 0.2534(9) 0.040(2) Uani 1 1 d . . . . .
H1 H 0.0579 0.8472 0.2697 0.048 Uiso 1 1 calc R U . . .
N2 N -0.0520(5) 0.8097(5) 0.3162(10) 0.040(3) Uani 1 1 d . . . . .
O1A O 0.0736(5) 0.9233(4) 0.4126(9) 0.033(2) Uani 1 1 d . . . . .
O2A O 0.0637(5) 1.0454(4) 0.4843(8) 0.032(2) Uani 1 1 d . . . . .
O1B O 0.0267(4) 0.9343(3) 0.1721(8) 0.027(2) Uani 1 1 d . . . . .
O2B O -0.1099(5) 0.9644(4) 0.2530(8) 0.031(2) Uani 1 1 d . . . . .
O1C O 0.4223(5) 1.0752(4) 0.5850(9) 0.035(2) Uani 1 1 d . . . . .
O2C O 0.4382(5) 0.9521(4) 0.5103(9) 0.040(3) Uani 1 1 d . . . . .
O1D O 0.5304(4) 0.9366(4) 0.8258(8) 0.029(2) Uani 1 1 d . . . . .
O2D O 0.3904(5) 0.9593(4) 0.7387(9) 0.039(3) 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
C1A F1A 1.323(14) . ?
C1A F3A 1.334(15) . ?
C1A F2A 1.347(14) . ?
C1A C2A 1.54(2) . ?
C1B F1B 1.312(14) . ?
C1B F2B 1.328(14) . ?
C1B F3B 1.338(15) . ?
C1B C2B 1.566(19) . ?
C1C F1C 1.304(13) . ?
C1C F2C 1.341(13) . ?
C1C F3C 1.346(13) . ?
C1C C2C 1.541(19) . ?
C1D F3D 1.297(14) . ?
C1D F2D 1.318(15) . ?
C1D F1D 1.332(14) . ?
C1D C2D 1.50(2) . ?
C5A F4A 1.320(14) . ?
C5A F5A 1.332(14) . ?
C5A F6A 1.334(15) . ?
C5A C4A 1.49(2) . ?
C5B F6B 1.305(14) . ?
C5B F4B 1.329(14) . ?
C5B F5B 1.332(14) . ?
C5B C4B 1.548(19) . ?
C5C F4C 1.315(14) . ?
C5C F5C 1.324(14) . ?
C5C F6C 1.344(14) . ?
C5C C4C 1.57(2) . ?
C5D F6D 1.322(15) . ?
C5D F4D 1.323(14) . ?
C5D F5D 1.324(14) . ?
C5D C4D 1.504(19) . ?
C1A' F1A' 1.33(2) . ?
C1A' F3A' 1.34(2) . ?
C1A' F2A' 1.34(2) . ?
C1A' C2A 1.54(3) . ?
C1B' F3B' 1.32(2) . ?
C1B' F2B' 1.33(2) . ?
C1B' F1B' 1.33(2) . ?
C1B' C2B 1.56(3) . ?
C1C' F2C' 1.32(2) . ?
C1C' F3C' 1.33(2) . ?
C1C' F1C' 1.33(2) . ?
C1C' C2C 1.54(3) . ?
C1D' F2D' 1.31(2) . ?
C1D' F3D' 1.32(2) . ?
C1D' F1D' 1.32(2) . ?
C1D' C2D 1.49(3) . ?
C5A' F4A' 1.32(2) . ?
C5A' F5A' 1.33(2) . ?
C5A' F6A' 1.33(2) . ?
C5A' C4A 1.49(3) . ?
C5B' F6B' 1.32(2) . ?
C5B' F4B' 1.32(2) . ?
C5B' F5B' 1.33(2) . ?
C5B' C4B 1.54(3) . ?
C5C' F4C' 1.33(2) . ?
C5C' F5C' 1.33(2) . ?
C5C' F6C' 1.33(2) . ?
C5C' C4C 1.58(3) . ?
C5D' F5D' 1.32(2) . ?
C5D' F6D' 1.32(2) . ?
C5D' F4D' 1.32(2) . ?
C5D' C4D 1.50(3) . ?
C2A O1A 1.289(15) . ?
C2A C3A 1.415(19) . ?
C3A C4A 1.388(16) . ?
C3A H3A 0.9500 . ?
C4A O2A 1.235(16) . ?
C2B O1B 1.260(12) . ?
C2B C3B 1.339(17) . ?
C3B C4B 1.415(19) . ?
C3B H3B 0.9500 . ?
C4B O2B 1.233(15) . ?
C2C O1C 1.234(15) . ?
C2C C3C 1.367(18) . ?
C3C C4C 1.382(16) . ?
C3C H3C 0.9500 . ?
C4C O2C 1.249(16) . ?
C2D O1D 1.224(16) . ?
C2D C3D 1.48(2) . ?
C3D C4D 1.412(19) . ?
C3D H3D 0.9500 . ?
C4D O2D 1.249(15) . ?
C6 C7 1.350(14) . ?
C6 N1 1.360(14) . ?
C6 C18 1.497(10) . ?
C7 C8 1.435(15) . ?
C7 H7 0.9500 . ?
C8 C9 1.394(11) . ?
C8 C11 1.483(13) . ?
C9 C10 1.340(14) . ?
C9 C14 1.538(16) . ?
C10 N1 1.336(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.494(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.541(16) . ?
C12 C13 1.544(16) . ?
C12 H12 1.0000 . ?
C13 C16 1.518(10) . ?
C13 C15 1.546(11) . ?
C13 C14 1.552(16) . ?
C14 C17 1.548(16) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N2 1.354(16) . ?
C18 C19 1.373(16) . ?
C19 C20 1.375(17) . ?
C19 H19 0.9500 . ?
C20 C21 1.336(19) . ?
C20 H20 0.9500 . ?
C21 C22 1.404(18) . ?
C21 H21 0.9500 . ?
C22 N2 1.342(15) . ?
C22 H22 0.9500 . ?
Dy1 O2A 2.322(9) 2_575 ?
Dy1 O2A 2.322(9) . ?
Dy1 O2B 2.337(9) . ?
Dy1 O2B 2.338(9) 2_575 ?
Dy1 O1A 2.341(9) . ?
Dy1 O1A 2.341(9) 2_575 ?
Dy1 O1B 2.371(8) . ?
Dy1 O1B 2.371(8) 2_575 ?
Dy2 O2D 2.348(9) . ?
Dy2 O2D 2.348(9) 2_675 ?
Dy2 O1D 2.356(9) . ?
Dy2 O1D 2.356(9) 2_675 ?
Dy2 O2C 2.356(9) . ?
Dy2 O2C 2.356(9) 2_675 ?
Dy2 O1C 2.363(9) 2_675 ?
Dy2 O1C 2.363(9) . ?
N1 H1 0.8800 . ?

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
F1A C1A F3A 109.9(13) . . ?
F1A C1A F2A 105.5(13) . . ?
F3A C1A F2A 109.5(13) . . ?
F1A C1A C2A 110.2(12) . . ?
F3A C1A C2A 110.5(12) . . ?
F2A C1A C2A 111.2(12) . . ?
F1B C1B F2B 109.0(13) . . ?
F1B C1B F3B 107.7(13) . . ?
F2B C1B F3B 107.4(12) . . ?
F1B C1B C2B 112.8(11) . . ?
F2B C1B C2B 111.1(12) . . ?
F3B C1B C2B 108.7(12) . . ?
F1C C1C F2C 108.6(12) . . ?
F1C C1C F3C 107.3(12) . . ?
F2C C1C F3C 103.7(11) . . ?
F1C C1C C2C 116.0(11) . . ?
F2C C1C C2C 109.3(11) . . ?
F3C C1C C2C 111.2(11) . . ?
F3D C1D F2D 106.2(14) . . ?
F3D C1D F1D 109.4(13) . . ?
F2D C1D F1D 103.7(13) . . ?
F3D C1D C2D 114.0(13) . . ?
F2D C1D C2D 112.2(13) . . ?
F1D C1D C2D 110.7(12) . . ?
F4A C5A F5A 105.6(13) . . ?
F4A C5A F6A 106.9(13) . . ?
F5A C5A F6A 107.5(13) . . ?
F4A C5A C4A 112.5(13) . . ?
F5A C5A C4A 114.7(13) . . ?
F6A C5A C4A 109.2(12) . . ?
F6B C5B F4B 109.8(13) . . ?
F6B C5B F5B 108.0(12) . . ?
F4B C5B F5B 107.0(12) . . ?
F6B C5B C4B 109.8(12) . . ?
F4B C5B C4B 113.5(11) . . ?
F5B C5B C4B 108.6(11) . . ?
F4C C5C F5C 109.7(13) . . ?
F4C C5C F6C 106.7(12) . . ?
F5C C5C F6C 109.7(13) . . ?
F4C C5C C4C 112.5(12) . . ?
F5C C5C C4C 110.8(12) . . ?
F6C C5C C4C 107.2(12) . . ?
F6D C5D F4D 105.6(13) . . ?
F6D C5D F5D 105.9(13) . . ?
F4D C5D F5D 107.4(12) . . ?
F6D C5D C4D 110.9(12) . . ?
F4D C5D C4D 112.8(12) . . ?
F5D C5D C4D 113.7(13) . . ?
F1A' C1A' F3A' 109(2) . . ?
F1A' C1A' F2A' 108(2) . . ?
F3A' C1A' F2A' 108(2) . . ?
F1A' C1A' C2A 110.6(19) . . ?
F3A' C1A' C2A 110.7(19) . . ?
F2A' C1A' C2A 111(2) . . ?
F3B' C1B' F2B' 110(2) . . ?
F3B' C1B' F1B' 108.5(19) . . ?
F2B' C1B' F1B' 107.0(19) . . ?
F3B' C1B' C2B 110.5(18) . . ?
F2B' C1B' C2B 110.6(19) . . ?
F1B' C1B' C2B 110.5(18) . . ?
F2C' C1C' F3C' 107.7(19) . . ?
F2C' C1C' F1C' 106.9(19) . . ?
F3C' C1C' F1C' 105.8(19) . . ?
F2C' C1C' C2C 113.5(18) . . ?
F3C' C1C' C2C 110.6(17) . . ?
F1C' C1C' C2C 111.9(18) . . ?
F2D' C1D' F3D' 105(2) . . ?
F2D' C1D' F1D' 106(2) . . ?
F3D' C1D' F1D' 105(2) . . ?
F2D' C1D' C2D 113.7(19) . . ?
F3D' C1D' C2D 113.2(19) . . ?
F1D' C1D' C2D 113.0(19) . . ?
F4A' C5A' F5A' 108(2) . . ?
F4A' C5A' F6A' 105.4(19) . . ?
F5A' C5A' F6A' 105(2) . . ?
F4A' C5A' C4A 112.9(19) . . ?
F5A' C5A' C4A 111.4(19) . . ?
F6A' C5A' C4A 112.9(19) . . ?
F6B' C5B' F4B' 108(2) . . ?
F6B' C5B' F5B' 108(2) . . ?
F4B' C5B' F5B' 108(2) . . ?
F6B' C5B' C4B 110.5(19) . . ?
F4B' C5B' C4B 111.6(19) . . ?
F5B' C5B' C4B 110.3(19) . . ?
F4C' C5C' F5C' 109(2) . . ?
F4C' C5C' F6C' 108(2) . . ?
F5C' C5C' F6C' 108(2) . . ?
F4C' C5C' C4C 110.4(19) . . ?
F5C' C5C' C4C 109.7(19) . . ?
F6C' C5C' C4C 111.7(19) . . ?
F5D' C5D' F6D' 107(2) . . ?
F5D' C5D' F4D' 106(2) . . ?
F6D' C5D' F4D' 106(2) . . ?
F5D' C5D' C4D 114(2) . . ?
F6D' C5D' C4D 111.0(19) . . ?
F4D' C5D' C4D 112.0(19) . . ?
O1A C2A C3A 126.3(14) . . ?
O1A C2A C1A 113.8(12) . . ?
C3A C2A C1A 119.9(13) . . ?
O1A C2A C1A' 114.9(15) . . ?
C3A C2A C1A' 118.5(16) . . ?
C4A C3A C2A 122.0(15) . . ?
C4A C3A H3A 119.0 . . ?
C2A C3A H3A 119.0 . . ?
O2A C4A C3A 126.9(14) . . ?
O2A C4A C5A' 112.6(14) . . ?
C3A C4A C5A' 120.4(16) . . ?
O2A C4A C5A 116.3(12) . . ?
C3A C4A C5A 116.8(14) . . ?
O1B C2B C3B 128.8(12) . . ?
O1B C2B C1B' 116.3(12) . . ?
C3B C2B C1B' 114.6(13) . . ?
O1B C2B C1B 112.2(10) . . ?
C3B C2B C1B 118.9(11) . . ?
C2B C3B C4B 120.2(14) . . ?
C2B C3B H3B 119.9 . . ?
C4B C3B H3B 119.9 . . ?
O2B C4B C3B 127.3(14) . . ?
O2B C4B C5B' 113.0(15) . . ?
C3B C4B C5B' 119.7(15) . . ?
O2B C4B C5B 115.0(12) . . ?
C3B C4B C5B 117.7(13) . . ?
O1C C2C C3C 130.3(15) . . ?
O1C C2C C1C' 114.5(14) . . ?
C3C C2C C1C' 115.1(14) . . ?
O1C C2C C1C 113.1(12) . . ?
C3C C2C C1C 116.5(13) . . ?
C2C C3C C4C 121.8(16) . . ?
C2C C3C H3C 119.1 . . ?
C4C C3C H3C 119.1 . . ?
O2C C4C C3C 127.6(16) . . ?
O2C C4C C5C 112.1(12) . . ?
C3C C4C C5C 120.3(14) . . ?
O2C C4C C5C' 116.9(14) . . ?
C3C C4C C5C' 114.7(15) . . ?
O1D C2D C3D 125.1(14) . . ?
O1D C2D C1D' 124.5(15) . . ?
C3D C2D C1D' 110.2(15) . . ?
O1D C2D C1D 120.3(13) . . ?
C3D C2D C1D 114.4(13) . . ?
C4D C3D C2D 119.7(15) . . ?
C4D C3D H3D 120.2 . . ?
C2D C3D H3D 120.2 . . ?
O2D C4D C3D 128.9(15) . . ?
O2D C4D C5D' 111.7(17) . . ?
C3D C4D C5D' 119.4(18) . . ?
O2D C4D C5D 114.1(13) . . ?
C3D C4D C5D 116.3(14) . . ?
C7 C6 N1 118.9(9) . . ?
C7 C6 C18 124.5(13) . . ?
N1 C6 C18 116.6(12) . . ?
C6 C7 C8 119.3(10) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.4 . . ?
C9 C8 C7 117.9(10) . . ?
C9 C8 C11 120.0(11) . . ?
C7 C8 C11 122.1(11) . . ?
C10 C9 C8 120.8(11) . . ?
C10 C9 C14 123.4(11) . . ?
C8 C9 C14 115.8(10) . . ?
N1 C10 C9 119.4(10) . . ?
N1 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C8 C11 C12 108.9(9) . . ?
C8 C11 H11A 109.9 . . ?
C12 C11 H11A 109.9 . . ?
C8 C11 H11B 109.9 . . ?
C12 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
C11 C12 C17 111.3(10) . . ?
C11 C12 C13 114.1(9) . . ?
C17 C12 C13 87.8(8) . . ?
C11 C12 H12 113.7 . . ?
C17 C12 H12 113.7 . . ?
C13 C12 H12 113.7 . . ?
C16 C13 C12 120.2(11) . . ?
C16 C13 C15 108.1(7) . . ?
C12 C13 C15 112.3(10) . . ?
C16 C13 C14 117.6(10) . . ?
C12 C13 C14 85.0(7) . . ?
C15 C13 C14 112.3(11) . . ?
C9 C14 C17 105.2(10) . . ?
C9 C14 C13 108.9(9) . . ?
C17 C14 C13 87.3(8) . . ?
C9 C14 H14 117.1 . . ?
C17 C14 H14 117.1 . . ?
C13 C14 H14 117.1 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 C14 85.2(7) . . ?
C12 C17 H17A 114.4 . . ?
C14 C17 H17A 114.4 . . ?
C12 C17 H17B 114.4 . . ?
C14 C17 H17B 114.4 . . ?
H17A C17 H17B 111.6 . . ?
N2 C18 C19 123.6(7) . . ?
N2 C18 C6 112.8(13) . . ?
C19 C18 C6 123.6(14) . . ?
C18 C19 C20 117.4(12) . . ?
C18 C19 H19 121.3 . . ?
C20 C19 H19 121.3 . . ?
C21 C20 C19 121.1(13) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 119.0(8) . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
N2 C22 C21 121.6(12) . . ?
N2 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
O2A Dy1 O2A 82.5(4) 2_575 . ?
O2A Dy1 O2B 73.4(3) 2_575 . ?
O2A Dy1 O2B 149.7(3) . . ?
O2A Dy1 O2B 149.7(3) 2_575 2_575 ?
O2A Dy1 O2B 73.4(3) . 2_575 ?
O2B Dy1 O2B 134.8(5) . 2_575 ?
O2A Dy1 O1A 71.7(3) 2_575 . ?
O2A Dy1 O1A 73.7(3) . . ?
O2B Dy1 O1A 114.2(3) . . ?
O2B Dy1 O1A 83.9(3) 2_575 . ?
O2A Dy1 O1A 73.7(3) 2_575 2_575 ?
O2A Dy1 O1A 71.7(3) . 2_575 ?
O2B Dy1 O1A 83.9(3) . 2_575 ?
O2B Dy1 O1A 114.2(3) 2_575 2_575 ?
O1A Dy1 O1A 133.4(5) . 2_575 ?
O2A Dy1 O1B 115.0(3) 2_575 . ?
O2A Dy1 O1B 137.1(3) . . ?
O2B Dy1 O1B 71.4(3) . . ?
O2B Dy1 O1B 74.2(3) 2_575 . ?
O1A Dy1 O1B 75.7(3) . . ?
O1A Dy1 O1B 148.9(3) 2_575 . ?
O2A Dy1 O1B 137.1(3) 2_575 2_575 ?
O2A Dy1 O1B 115.0(3) . 2_575 ?
O2B Dy1 O1B 74.2(3) . 2_575 ?
O2B Dy1 O1B 71.4(3) 2_575 2_575 ?
O1A Dy1 O1B 148.9(3) . 2_575 ?
O1A Dy1 O1B 75.7(3) 2_575 2_575 ?
O1B Dy1 O1B 79.5(4) . 2_575 ?
O2D Dy2 O2D 138.7(5) . 2_675 ?
O2D Dy2 O1D 73.0(3) . . ?
O2D Dy2 O1D 75.4(3) 2_675 . ?
O2D Dy2 O1D 75.4(3) . 2_675 ?
O2D Dy2 O1D 73.0(3) 2_675 2_675 ?
O1D Dy2 O1D 78.6(4) . 2_675 ?
O2D Dy2 O2C 71.8(4) . . ?
O2D Dy2 O2C 147.7(3) 2_675 . ?
O1D Dy2 O2C 116.0(3) . . ?
O1D Dy2 O2C 137.1(3) 2_675 . ?
O2D Dy2 O2C 147.7(3) . 2_675 ?
O2D Dy2 O2C 71.8(4) 2_675 2_675 ?
O1D Dy2 O2C 137.1(3) . 2_675 ?
O1D Dy2 O2C 116.0(3) 2_675 2_675 ?
O2C Dy2 O2C 81.7(5) . 2_675 ?
O2D Dy2 O1C 113.0(3) . 2_675 ?
O2D Dy2 O1C 83.5(3) 2_675 2_675 ?
O1D Dy2 O1C 75.8(3) . 2_675 ?
O1D Dy2 O1C 148.7(3) 2_675 2_675 ?
O2C Dy2 O1C 71.6(3) . 2_675 ?
O2C Dy2 O1C 73.8(3) 2_675 2_675 ?
O2D Dy2 O1C 83.5(3) . . ?
O2D Dy2 O1C 113.0(3) 2_675 . ?
O1D Dy2 O1C 148.7(3) . . ?
O1D Dy2 O1C 75.8(3) 2_675 . ?
O2C Dy2 O1C 73.8(3) . . ?
O2C Dy2 O1C 71.6(3) 2_675 . ?
O1C Dy2 O1C 133.7(5) 2_675 . ?
C10 N1 C6 123.7(9) . . ?
C10 N1 H1 118.2 . . ?
C6 N1 H1 118.2 . . ?
C22 N2 C18 117.2(11) . . ?
C2A O1A Dy1 130.6(9) . . ?
C4A O2A Dy1 134.5(9) . . ?
C2B O1B Dy1 130.2(7) . . ?
C4B O2B Dy1 132.4(9) . . ?
C2C O1C Dy2 129.4(10) . . ?
C4C O2C Dy2 132.4(10) . . ?
C2D O1D Dy2 132.9(9) . . ?
C4D O2D Dy2 131.1(10) . . ?

_refine_diff_density_max         0.864
_refine_diff_density_min         -0.647
_refine_diff_density_rms         0.083



####################################################################### 
# 
# 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_R-2
_database_code_depnum_ccdc_archive 'CCDC 1527500'
_audit_update_record             
;
2017-03-14 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H19 N2, C20 H4 Dy F24 O8'
_chemical_formula_sum            'C37 H23 Dy F24 N2 O8'
_chemical_formula_weight         1242.07

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   18.3282(9)
_cell_length_b                   21.8066(9)
_cell_length_c                   11.4128(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4561.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6563
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      26.13

_exptl_crystal_description       rod
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_F_000             2420
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    1.787
_shelx_estimated_absorpt_T_min   0.654
_shelx_estimated_absorpt_T_max   0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6376
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS (Bruker, 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24248
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.000
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             8846
_reflns_number_gt                5298
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.789
_reflns_Friedel_fraction_max     0.978
_reflns_Friedel_fraction_full    0.993

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_cell_refinement       APEX2
_computing_data_reduction        APEX2
_computing_structure_solution    'SHELXS (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0231P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_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 x determined using 1920 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.028(14)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         8846
_refine_ls_number_parameters     779
_refine_ls_number_restraints     1158
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.0698
_refine_ls_wR_factor_gt          0.0580
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.8761(9) 0.1478(7) 0.4522(14) 0.053(5) Uani 0.769(8) 1 d D U P A 1
F1A F 0.9288(7) 0.1871(4) 0.4799(10) 0.051(3) Uani 0.769(8) 1 d D U P A 1
F2A F 0.8661(11) 0.1548(6) 0.3374(12) 0.081(5) Uani 0.769(8) 1 d D U P A 1
F3A F 0.8162(6) 0.1633(5) 0.5107(13) 0.071(4) Uani 0.769(8) 1 d D U P A 1
C1B C 0.9613(8) 0.1052(7) 1.0186(14) 0.048(5) Uani 0.769(8) 1 d D U P A 1
F1B F 0.9879(7) 0.0962(7) 1.1230(9) 0.084(4) Uani 0.769(8) 1 d D U P A 1
F2B F 0.8937(6) 0.0834(7) 1.0169(12) 0.077(5) Uani 0.769(8) 1 d D U P A 1
F3B F 0.9567(6) 0.1656(5) 1.0015(12) 0.083(4) Uani 0.769(8) 1 d D U P A 1
C1C C 0.6316(7) -0.1425(7) 0.5457(11) 0.047(5) Uani 0.769(8) 1 d D U P A 1
F1C F 0.6618(7) -0.1483(4) 0.6486(10) 0.078(4) Uani 0.769(8) 1 d D U P A 1
F2C F 0.5756(6) -0.1821(4) 0.5390(12) 0.068(4) Uani 0.769(8) 1 d D U P A 1
F3C F 0.6803(6) -0.1638(5) 0.4674(11) 0.070(4) Uani 0.769(8) 1 d D U P A 1
C1D C 0.4598(8) 0.0999(7) -0.0191(15) 0.041(4) Uani 0.769(8) 1 d D U P A 1
F1D F 0.4535(8) 0.1608(4) -0.0148(13) 0.090(5) Uani 0.769(8) 1 d D U P A 1
F2D F 0.3921(6) 0.0803(6) -0.0182(13) 0.085(4) Uani 0.769(8) 1 d D U P A 1
F3D F 0.4869(8) 0.0844(8) -0.1202(11) 0.103(5) Uani 0.769(8) 1 d D U P A 1
C5A C 0.8780(9) -0.0734(7) 0.3427(14) 0.049(5) Uani 0.769(8) 1 d D U P A 1
F4A F 0.9219(7) -0.1218(4) 0.3412(11) 0.071(4) Uani 0.769(8) 1 d D U P A 1
F5A F 0.8736(7) -0.0533(5) 0.2329(9) 0.054(3) Uani 0.769(8) 1 d D U P A 1
F6A F 0.8126(7) -0.0929(6) 0.3753(12) 0.090(5) Uani 0.769(8) 1 d D U P A 1
C5B C 1.2105(8) 0.0497(7) 0.8705(13) 0.050(4) Uani 0.769(8) 1 d D U P A 1
F4B F 1.2272(5) 0.0588(5) 0.9830(9) 0.053(3) Uani 0.769(8) 1 d D U P A 1
F5B F 1.2374(5) -0.0043(5) 0.8396(12) 0.075(4) Uani 0.769(8) 1 d D U P A 1
F6B F 1.2431(5) 0.0915(6) 0.8048(12) 0.073(4) Uani 0.769(8) 1 d D U P A 1
C5C C 0.6206(8) 0.0784(7) 0.6612(14) 0.048(5) Uani 0.769(8) 1 d D U P A 1
F4C F 0.5727(6) 0.1233(4) 0.6696(10) 0.058(3) Uani 0.769(8) 1 d D U P A 1
F5C F 0.6331(8) 0.0563(5) 0.7671(9) 0.055(4) Uani 0.769(8) 1 d D U P A 1
F6C F 0.6829(6) 0.1036(5) 0.6207(11) 0.073(4) Uani 0.769(8) 1 d D U P A 1
C5D C 0.7081(8) 0.0716(7) 0.1466(13) 0.047(4) Uani 0.769(8) 1 d D U P A 1
F4D F 0.7482(5) 0.0241(5) 0.1783(13) 0.077(4) Uani 0.769(8) 1 d D U P A 1
F5D F 0.7272(7) 0.0877(9) 0.0403(13) 0.075(5) Uani 0.769(8) 1 d D U P A 1
F6D F 0.7279(5) 0.1181(5) 0.2152(12) 0.080(4) Uani 0.769(8) 1 d D U P A 1
C1A' C 0.8884(16) 0.1491(12) 0.444(3) 0.060(9) Uiso 0.231(8) 1 d D U P A 2
F1A' F 0.9509(16) 0.1799(11) 0.441(3) 0.059(11) Uiso 0.231(8) 1 d D U P A 2
F2A' F 0.859(3) 0.1516(17) 0.338(3) 0.076(13) Uiso 0.231(8) 1 d D U P A 2
F3A' F 0.8433(15) 0.1773(11) 0.518(4) 0.056(9) Uiso 0.231(8) 1 d D U P A 2
C1B' C 0.9648(14) 0.0977(11) 1.029(2) 0.058(9) Uiso 0.231(8) 1 d D U P A 2
F1B' F 0.9925(16) 0.1491(9) 1.071(2) 0.048(6) Uiso 0.231(8) 1 d D U P A 2
F2B' F 0.8962(11) 0.1094(15) 1.001(3) 0.054(9) Uiso 0.231(8) 1 d D U P A 2
F3B' F 0.9672(15) 0.0559(10) 1.1117(19) 0.050(7) Uiso 0.231(8) 1 d D U P A 2
C1C' C 0.6324(12) -0.1419(11) 0.548(2) 0.057(9) Uiso 0.231(8) 1 d D U P A 2
F1C' F 0.6274(17) -0.1518(13) 0.6625(16) 0.056(10) Uiso 0.231(8) 1 d D U P A 2
F2C' F 0.5963(14) -0.1870(9) 0.496(3) 0.057(9) Uiso 0.231(8) 1 d D U P A 2
F3C' F 0.7024(9) -0.1486(12) 0.520(3) 0.077(10) Uiso 0.231(8) 1 d D U P A 2
C1D' C 0.4649(14) 0.1007(12) -0.023(2) 0.062(9) Uiso 0.231(8) 1 d D U P A 2
F1D' F 0.4167(15) 0.1439(14) 0.001(2) 0.060(8) Uiso 0.231(8) 1 d D U P A 2
F2D' F 0.429(2) 0.0588(12) -0.082(3) 0.088(9) Uiso 0.231(8) 1 d D U P A 2
F3D' F 0.5097(14) 0.1256(14) -0.100(2) 0.067(8) Uiso 0.231(8) 1 d D U P A 2
C5A' C 0.8815(14) -0.0760(12) 0.346(2) 0.056(9) Uiso 0.231(8) 1 d D U P A 2
F4A' F 0.9383(15) -0.1078(11) 0.307(3) 0.055(9) Uiso 0.231(8) 1 d D U P A 2
F5A' F 0.8448(15) -0.0546(14) 0.255(2) 0.051(9) Uiso 0.231(8) 1 d D U P A 2
F6A' F 0.8377(15) -0.1165(11) 0.398(3) 0.057(9) Uiso 0.231(8) 1 d D U P A 2
C5B' C 1.2109(14) 0.0505(14) 0.865(3) 0.057(9) Uiso 0.231(8) 1 d D U P A 2
F4B' F 1.2304(17) 0.0821(16) 0.960(3) 0.057(11) Uiso 0.231(8) 1 d D U P A 2
F5B' F 1.2344(16) -0.0066(14) 0.878(3) 0.062(10) Uiso 0.231(8) 1 d D U P A 2
F6B' F 1.2442(15) 0.0747(19) 0.773(3) 0.072(11) Uiso 0.231(8) 1 d D U P A 2
C5C' C 0.6329(15) 0.0747(12) 0.658(2) 0.058(9) Uiso 0.231(8) 1 d D U P A 2
F4C' F 0.6133(16) 0.1321(9) 0.633(3) 0.067(9) Uiso 0.231(8) 1 d D U P A 2
F5C' F 0.614(2) 0.0637(16) 0.7688(18) 0.057(10) Uiso 0.231(8) 1 d D U P A 2
F6C' F 0.7056(11) 0.0729(13) 0.652(3) 0.069(9) Uiso 0.231(8) 1 d D U P A 2
C5D' C 0.7090(14) 0.0598(15) 0.141(3) 0.060(9) Uiso 0.231(8) 1 d D U P A 2
F4D' F 0.7371(14) 0.0042(15) 0.144(4) 0.054(10) Uiso 0.231(8) 1 d D U P A 2
F5D' F 0.726(2) 0.085(3) 0.039(4) 0.074(14) Uiso 0.231(8) 1 d D U P A 2
F6D' F 0.7410(15) 0.0928(15) 0.223(4) 0.058(10) Uiso 0.231(8) 1 d D U P A 2
C2A C 0.9010(7) 0.0821(6) 0.4844(12) 0.036(4) Uani 1 1 d D . . . .
C3A C 0.8888(8) 0.0365(6) 0.4017(16) 0.046(5) Uani 1 1 d . . . . .
H3A H 0.8700 0.0469 0.3267 0.055 Uiso 1 1 calc R U . . .
C4A C 0.9043(7) -0.0248(6) 0.4287(13) 0.031(4) Uani 1 1 d D . . . .
C2B C 1.0079(7) 0.0768(5) 0.9210(11) 0.024(3) Uani 1 1 d D . . . .
C3B C 1.0807(8) 0.0694(6) 0.9369(13) 0.038(4) Uani 1 1 d . . . . .
H3B H 1.1004 0.0766 1.0126 0.045 Uiso 1 1 calc R U . . .
C4B C 1.1277(7) 0.0518(5) 0.8479(12) 0.032(4) Uani 1 1 d D . . . .
C2C C 0.6052(7) -0.0785(6) 0.5136(13) 0.037(4) Uani 1 1 d D . . . .
C3C C 0.6169(8) -0.0326(6) 0.5950(15) 0.042(4) Uani 1 1 d . . . . .
H3C H 0.6395 -0.0426 0.6674 0.051 Uiso 1 1 calc R U . . .
C4C C 0.5965(7) 0.0279(7) 0.5740(14) 0.039(4) Uani 1 1 d D . . . .
C2D C 0.5029(9) 0.0766(5) 0.0853(15) 0.052(4) Uani 1 1 d D U . . .
C3D C 0.5817(8) 0.0746(6) 0.0651(17) 0.047(5) Uani 1 1 d . . . . .
H3D H 0.6018 0.0842 -0.0094 0.057 Uiso 1 1 calc R U . . .
C4D C 0.6273(8) 0.0577(6) 0.1617(13) 0.045(4) Uani 1 1 d D . . . .
C6 C 0.9424(4) 0.2412(5) 0.7340(7) 0.032(2) Uani 1 1 d . . . . .
C7 C 0.8990(6) 0.2900(4) 0.7597(10) 0.033(3) Uani 1 1 d . . . . .
H7 H 0.9171 0.3306 0.7510 0.040 Uiso 1 1 calc R U . . .
C8 C 0.8262(6) 0.2800(5) 0.8000(12) 0.032(3) Uani 1 1 d . . . . .
C9 C 0.8015(6) 0.2196(5) 0.8096(11) 0.029(3) Uani 1 1 d . . . . .
C10 C 0.8457(5) 0.1732(4) 0.7822(8) 0.037(2) Uani 1 1 d . . . . .
H10 H 0.8288 0.1322 0.7882 0.045 Uiso 1 1 calc R U . . .
C11 C 0.7762(5) 0.3315(3) 0.8283(8) 0.037(2) Uani 1 1 d . . . . .
H11A H 0.7709 0.3585 0.7592 0.044 Uiso 1 1 calc R U . . .
H11B H 0.7968 0.3561 0.8933 0.044 Uiso 1 1 calc R U . . .
C12 C 0.7029(6) 0.3067(5) 0.8631(12) 0.039(3) Uani 1 1 d . . . . .
H12 H 0.6655 0.3388 0.8810 0.047 Uiso 1 1 calc R U . . .
C13 C 0.7084(4) 0.2548(7) 0.9560(7) 0.041(2) Uani 1 1 d . . . . .
C14 C 0.7227(6) 0.2129(5) 0.8510(12) 0.043(3) Uani 1 1 d . . . . .
H14 H 0.7039 0.1700 0.8577 0.052 Uiso 1 1 calc R U . . .
C15 C 0.6340(4) 0.2438(8) 1.0149(8) 0.060(3) Uani 1 1 d . . . . .
H15A H 0.5960 0.2411 0.9547 0.090 Uiso 1 1 calc R U . . .
H15B H 0.6356 0.2054 1.0595 0.090 Uiso 1 1 calc R U . . .
H15C H 0.6231 0.2779 1.0680 0.090 Uiso 1 1 calc R U . . .
C16 C 0.7666(4) 0.2588(7) 1.0503(7) 0.053(3) Uani 1 1 d . . . . .
H16A H 0.7505 0.2870 1.1119 0.080 Uiso 1 1 calc R U . . .
H16B H 0.7748 0.2181 1.0841 0.080 Uiso 1 1 calc R U . . .
H16C H 0.8121 0.2740 1.0158 0.080 Uiso 1 1 calc R U . . .
C17 C 0.6772(4) 0.2568(7) 0.7754(8) 0.046(2) Uani 1 1 d . . . . .
H17A H 0.6241 0.2487 0.7766 0.056 Uiso 1 1 calc R U . . .
H17B H 0.6955 0.2623 0.6945 0.056 Uiso 1 1 calc R U . . .
C18 C 1.0191(3) 0.2441(6) 0.6919(6) 0.030(2) Uani 1 1 d . . . . .
C19 C 1.0517(7) 0.2990(5) 0.6609(13) 0.040(4) Uani 1 1 d . . . . .
H19 H 1.0259 0.3368 0.6653 0.048 Uiso 1 1 calc R U . . .
C20 C 1.1233(7) 0.2966(5) 0.6232(14) 0.048(4) Uani 1 1 d . . . . .
H20 H 1.1485 0.3334 0.6043 0.057 Uiso 1 1 calc R U . . .
C21 C 1.1578(5) 0.2419(7) 0.6129(8) 0.049(3) Uani 1 1 d . . . . .
H21 H 1.2068 0.2399 0.5861 0.058 Uiso 1 1 calc R U . . .
C22 C 1.1201(7) 0.1887(6) 0.6426(14) 0.045(4) Uani 1 1 d . . . . .
H22 H 1.1437 0.1502 0.6327 0.054 Uiso 1 1 calc R U . . .
Dy1 Dy 1.0000 0.0000 0.66876(8) 0.0236(2) Uani 1 2 d S T P . .
Dy2 Dy 0.5000 0.0000 0.33381(8) 0.0260(2) Uani 1 2 d S T P . .
N1 N 0.9133(5) 0.1846(3) 0.7465(9) 0.037(2) Uani 1 1 d . . . . .
H1 H 0.9413 0.1529 0.7298 0.045 Uiso 1 1 calc R U . . .
N2 N 1.0521(5) 0.1897(4) 0.6844(11) 0.037(3) Uani 1 1 d . . . . .
O1A O 0.9263(5) 0.0773(4) 0.5866(9) 0.031(3) Uani 1 1 d . . . . .
O2A O 0.9363(5) -0.0456(4) 0.5161(9) 0.030(2) Uani 1 1 d . . . . .
O1B O 0.9732(4) 0.0656(3) 0.8266(9) 0.023(2) Uani 1 1 d . . . . .
O2B O 1.1102(5) 0.0353(3) 0.7474(9) 0.031(2) Uani 1 1 d . . . . .
O1C O 0.5774(5) -0.0742(4) 0.4141(10) 0.032(3) Uani 1 1 d . . . . .
O2C O 0.5618(5) 0.0476(4) 0.4897(10) 0.038(3) Uani 1 1 d . . . . .
O1D O 0.4691(5) 0.0634(4) 0.1734(9) 0.031(3) Uani 1 1 d . U . . .
O2D O 0.6088(5) 0.0408(4) 0.2606(10) 0.039(3) 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
C1A F3A 1.328(15) . ?
C1A F1A 1.330(14) . ?
C1A F2A 1.332(14) . ?
C1A C2A 1.548(19) . ?
C1B F1B 1.302(14) . ?
C1B F2B 1.327(14) . ?
C1B F3B 1.335(15) . ?
C1B C2B 1.535(19) . ?
C1C F1C 1.304(13) . ?
C1C F2C 1.343(13) . ?
C1C F3C 1.346(13) . ?
C1C C2C 1.523(19) . ?
C1D F3D 1.301(15) . ?
C1D F2D 1.313(15) . ?
C1D F1D 1.334(14) . ?
C1D C2D 1.52(2) . ?
C5A F6A 1.325(15) . ?
C5A F4A 1.328(14) . ?
C5A F5A 1.329(15) . ?
C5A C4A 1.52(2) . ?
C5B F6B 1.323(14) . ?
C5B F5B 1.325(14) . ?
C5B F4B 1.334(14) . ?
C5B C4B 1.540(18) . ?
C5C F4C 1.319(14) . ?
C5C F5C 1.321(15) . ?
C5C F6C 1.349(14) . ?
C5C C4C 1.55(2) . ?
C5D F5D 1.311(14) . ?
C5D F4D 1.321(13) . ?
C5D F6D 1.330(14) . ?
C5D C4D 1.52(2) . ?
C1A' F1A' 1.33(2) . ?
C1A' F2A' 1.33(2) . ?
C1A' F3A' 1.33(2) . ?
C1A' C2A 1.55(3) . ?
C1B' F3B' 1.31(2) . ?
C1B' F1B' 1.32(2) . ?
C1B' F2B' 1.32(2) . ?
C1B' C2B 1.53(3) . ?
C1C' F2C' 1.33(2) . ?
C1C' F1C' 1.33(2) . ?
C1C' F3C' 1.33(2) . ?
C1C' C2C 1.52(3) . ?
C1D' F2D' 1.31(2) . ?
C1D' F3D' 1.32(2) . ?
C1D' F1D' 1.32(2) . ?
C1D' C2D 1.52(3) . ?
C5A' F4A' 1.33(2) . ?
C5A' F5A' 1.33(2) . ?
C5A' F6A' 1.33(2) . ?
C5A' C4A 1.52(3) . ?
C5B' F6B' 1.33(2) . ?
C5B' F5B' 1.33(2) . ?
C5B' F4B' 1.33(2) . ?
C5B' C4B 1.54(3) . ?
C5C' F5C' 1.33(2) . ?
C5C' F4C' 1.33(2) . ?
C5C' F6C' 1.34(2) . ?
C5C' C4C 1.55(3) . ?
C5D' F5D' 1.32(2) . ?
C5D' F4D' 1.32(2) . ?
C5D' F6D' 1.32(2) . ?
C5D' C4D 1.52(3) . ?
C2A O1A 1.259(16) . ?
C2A C3A 1.389(19) . ?
C3A C4A 1.402(15) . ?
C3A H3A 0.9500 . ?
C4A O2A 1.243(15) . ?
C2B O1B 1.275(13) . ?
C2B C3B 1.356(18) . ?
C3B C4B 1.386(19) . ?
C3B H3B 0.9500 . ?
C4B O2B 1.244(15) . ?
C2C O1C 1.249(16) . ?
C2C C3C 1.382(18) . ?
C3C C4C 1.391(15) . ?
C3C H3C 0.9500 . ?
C4C O2C 1.231(16) . ?
C2D O1D 1.215(17) . ?
C2D C3D 1.46(2) . ?
C3D C4D 1.43(2) . ?
C3D H3D 0.9500 . ?
C4D O2D 1.235(17) . ?
C6 N1 1.353(13) . ?
C6 C7 1.360(13) . ?
C6 C18 1.487(10) . ?
C7 C8 1.428(14) . ?
C7 H7 0.9500 . ?
C8 C9 1.397(10) . ?
C8 C11 1.485(12) . ?
C9 C10 1.332(13) . ?
C9 C14 1.526(15) . ?
C10 N1 1.329(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.502(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.551(15) . ?
C12 C13 1.555(16) . ?
C12 H12 1.0000 . ?
C13 C16 1.517(10) . ?
C13 C14 1.529(15) . ?
C13 C15 1.539(10) . ?
C14 C17 1.536(15) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N2 1.335(14) . ?
C18 C19 1.385(14) . ?
C19 C20 1.383(16) . ?
C19 H19 0.9500 . ?
C20 C21 1.356(17) . ?
C20 H20 0.9500 . ?
C21 C22 1.392(16) . ?
C21 H21 0.9500 . ?
C22 N2 1.336(15) . ?
C22 H22 0.9500 . ?
Dy1 O2A 2.322(10) . ?
Dy1 O2A 2.322(10) 2_755 ?
Dy1 O2B 2.341(9) . ?
Dy1 O2B 2.341(9) 2_755 ?
Dy1 O1B 2.351(9) . ?
Dy1 O1B 2.351(9) 2_755 ?
Dy1 O1A 2.355(9) . ?
Dy1 O1A 2.355(9) 2_755 ?
Dy2 O2D 2.339(10) . ?
Dy2 O2D 2.339(10) 2_655 ?
Dy2 O1C 2.338(9) 2_655 ?
Dy2 O1C 2.338(9) . ?
Dy2 O2C 2.349(10) . ?
Dy2 O2C 2.349(10) 2_655 ?
Dy2 O1D 2.363(10) 2_655 ?
Dy2 O1D 2.363(10) . ?
N1 H1 0.8800 . ?

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
F3A C1A F1A 108.5(13) . . ?
F3A C1A F2A 110.6(13) . . ?
F1A C1A F2A 105.0(13) . . ?
F3A C1A C2A 111.1(12) . . ?
F1A C1A C2A 109.1(11) . . ?
F2A C1A C2A 112.3(12) . . ?
F1B C1B F2B 108.1(14) . . ?
F1B C1B F3B 107.8(13) . . ?
F2B C1B F3B 107.0(12) . . ?
F1B C1B C2B 113.3(12) . . ?
F2B C1B C2B 111.4(12) . . ?
F3B C1B C2B 109.1(12) . . ?
F1C C1C F2C 108.3(12) . . ?
F1C C1C F3C 106.5(12) . . ?
F2C C1C F3C 104.3(11) . . ?
F1C C1C C2C 116.1(11) . . ?
F2C C1C C2C 109.4(11) . . ?
F3C C1C C2C 111.6(11) . . ?
F3D C1D F2D 106.4(14) . . ?
F3D C1D F1D 108.9(14) . . ?
F2D C1D F1D 104.1(12) . . ?
F3D C1D C2D 114.2(13) . . ?
F2D C1D C2D 112.2(13) . . ?
F1D C1D C2D 110.5(12) . . ?
F6A C5A F4A 107.2(13) . . ?
F6A C5A F5A 108.4(14) . . ?
F4A C5A F5A 106.6(13) . . ?
F6A C5A C4A 109.2(13) . . ?
F4A C5A C4A 111.7(12) . . ?
F5A C5A C4A 113.5(12) . . ?
F6B C5B F5B 107.1(12) . . ?
F6B C5B F4B 109.9(12) . . ?
F5B C5B F4B 107.7(12) . . ?
F6B C5B C4B 109.2(11) . . ?
F5B C5B C4B 110.3(11) . . ?
F4B C5B C4B 112.5(12) . . ?
F4C C5C F5C 108.7(13) . . ?
F4C C5C F6C 106.7(12) . . ?
F5C C5C F6C 108.4(13) . . ?
F4C C5C C4C 112.6(13) . . ?
F5C C5C C4C 112.2(12) . . ?
F6C C5C C4C 108.1(12) . . ?
F5D C5D F4D 108.4(12) . . ?
F5D C5D F6D 105.6(12) . . ?
F4D C5D F6D 106.6(12) . . ?
F5D C5D C4D 114.7(12) . . ?
F4D C5D C4D 110.7(12) . . ?
F6D C5D C4D 110.5(12) . . ?
F1A' C1A' F2A' 107(2) . . ?
F1A' C1A' F3A' 108(2) . . ?
F2A' C1A' F3A' 108(2) . . ?
F1A' C1A' C2A 110.9(18) . . ?
F2A' C1A' C2A 112(2) . . ?
F3A' C1A' C2A 110.0(18) . . ?
F3B' C1B' F1B' 108.3(19) . . ?
F3B' C1B' F2B' 110(2) . . ?
F1B' C1B' F2B' 106.7(19) . . ?
F3B' C1B' C2B 110.8(18) . . ?
F1B' C1B' C2B 110.3(18) . . ?
F2B' C1B' C2B 111.1(19) . . ?
F2C' C1C' F1C' 106.7(19) . . ?
F2C' C1C' F3C' 107.2(19) . . ?
F1C' C1C' F3C' 106.4(19) . . ?
F2C' C1C' C2C 113.2(18) . . ?
F1C' C1C' C2C 112.3(18) . . ?
F3C' C1C' C2C 110.7(18) . . ?
F2D' C1D' F3D' 105(2) . . ?
F2D' C1D' F1D' 106(2) . . ?
F3D' C1D' F1D' 105(2) . . ?
F2D' C1D' C2D 114.2(19) . . ?
F3D' C1D' C2D 113.4(19) . . ?
F1D' C1D' C2D 112.4(19) . . ?
F4A' C5A' F5A' 108(2) . . ?
F4A' C5A' F6A' 106.0(19) . . ?
F5A' C5A' F6A' 106.0(19) . . ?
F4A' C5A' C4A 112.1(19) . . ?
F5A' C5A' C4A 111.6(19) . . ?
F6A' C5A' C4A 112.4(19) . . ?
F6B' C5B' F5B' 108(2) . . ?
F6B' C5B' F4B' 108(2) . . ?
F5B' C5B' F4B' 108(2) . . ?
F6B' C5B' C4B 110.3(19) . . ?
F5B' C5B' C4B 110.7(19) . . ?
F4B' C5B' C4B 111.2(19) . . ?
F5C' C5C' F4C' 108(2) . . ?
F5C' C5C' F6C' 107(2) . . ?
F4C' C5C' F6C' 106.5(19) . . ?
F5C' C5C' C4C 111.0(19) . . ?
F4C' C5C' C4C 111.6(19) . . ?
F6C' C5C' C4C 112.4(19) . . ?
F5D' C5D' F4D' 108(2) . . ?
F5D' C5D' F6D' 107(2) . . ?
F4D' C5D' F6D' 108(2) . . ?
F5D' C5D' C4D 113(2) . . ?
F4D' C5D' C4D 110.7(19) . . ?
F6D' C5D' C4D 110.0(19) . . ?
O1A C2A C3A 129.0(14) . . ?
O1A C2A C1A' 114.0(15) . . ?
C3A C2A C1A' 116.8(16) . . ?
O1A C2A C1A 113.9(12) . . ?
C3A C2A C1A 117.0(13) . . ?
C2A C3A C4A 120.1(15) . . ?
C2A C3A H3A 119.9 . . ?
C4A C3A H3A 119.9 . . ?
O2A C4A C3A 128.3(14) . . ?
O2A C4A C5A' 111.1(13) . . ?
C3A C4A C5A' 120.7(15) . . ?
O2A C4A C5A 114.4(11) . . ?
C3A C4A C5A 117.3(13) . . ?
O1B C2B C3B 125.5(13) . . ?
O1B C2B C1B' 118.6(13) . . ?
C3B C2B C1B' 115.8(13) . . ?
O1B C2B C1B 114.4(11) . . ?
C3B C2B C1B 119.9(11) . . ?
C2B C3B C4B 123.1(14) . . ?
C2B C3B H3B 118.4 . . ?
C4B C3B H3B 118.4 . . ?
O2B C4B C3B 126.5(13) . . ?
O2B C4B C5B' 111.7(15) . . ?
C3B C4B C5B' 121.8(15) . . ?
O2B C4B C5B 113.6(12) . . ?
C3B C4B C5B 119.9(13) . . ?
O1C C2C C3C 128.3(14) . . ?
O1C C2C C1C' 115.9(13) . . ?
C3C C2C C1C' 115.8(14) . . ?
O1C C2C C1C 114.7(12) . . ?
C3C C2C C1C 117.0(12) . . ?
C2C C3C C4C 121.9(16) . . ?
C2C C3C H3C 119.0 . . ?
C4C C3C H3C 119.0 . . ?
O2C C4C C3C 127.2(15) . . ?
O2C C4C C5C 113.7(12) . . ?
C3C C4C C5C 119.1(14) . . ?
O2C C4C C5C' 118.5(14) . . ?
C3C C4C C5C' 113.6(15) . . ?
O1D C2D C3D 128.8(16) . . ?
O1D C2D C1D' 121.5(16) . . ?
C3D C2D C1D' 109.6(16) . . ?
O1D C2D C1D 117.5(14) . . ?
C3D C2D C1D 113.6(14) . . ?
C4D C3D C2D 117.5(16) . . ?
C4D C3D H3D 121.2 . . ?
C2D C3D H3D 121.2 . . ?
O2D C4D C3D 128.4(16) . . ?
O2D C4D C5D' 115.1(17) . . ?
C3D C4D C5D' 116.5(18) . . ?
O2D C4D C5D 115.4(13) . . ?
C3D C4D C5D 115.5(14) . . ?
N1 C6 C7 117.5(8) . . ?
N1 C6 C18 116.4(11) . . ?
C7 C6 C18 126.1(11) . . ?
C6 C7 C8 119.7(10) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C9 C8 C7 118.2(9) . . ?
C9 C8 C11 119.7(10) . . ?
C7 C8 C11 122.1(10) . . ?
C10 C9 C8 120.0(11) . . ?
C10 C9 C14 125.1(10) . . ?
C8 C9 C14 114.9(10) . . ?
N1 C10 C9 119.9(9) . . ?
N1 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C8 C11 C12 109.8(8) . . ?
C8 C11 H11A 109.7 . . ?
C12 C11 H11A 109.7 . . ?
C8 C11 H11B 109.7 . . ?
C12 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
C11 C12 C17 110.7(9) . . ?
C11 C12 C13 112.5(8) . . ?
C17 C12 C13 87.1(8) . . ?
C11 C12 H12 114.5 . . ?
C17 C12 H12 114.5 . . ?
C13 C12 H12 114.5 . . ?
C16 C13 C14 118.0(9) . . ?
C16 C13 C15 108.8(7) . . ?
C14 C13 C15 113.6(10) . . ?
C16 C13 C12 119.2(11) . . ?
C14 C13 C12 84.9(7) . . ?
C15 C13 C12 110.7(9) . . ?
C9 C14 C13 110.3(9) . . ?
C9 C14 C17 106.3(9) . . ?
C13 C14 C17 88.6(8) . . ?
C9 C14 H14 116.1 . . ?
C13 C14 H14 116.1 . . ?
C17 C14 H14 116.1 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 C12 84.9(7) . . ?
C14 C17 H17A 114.5 . . ?
C12 C17 H17A 114.5 . . ?
C14 C17 H17B 114.5 . . ?
C12 C17 H17B 114.5 . . ?
H17A C17 H17B 111.6 . . ?
N2 C18 C19 123.9(7) . . ?
N2 C18 C6 114.3(11) . . ?
C19 C18 C6 121.8(12) . . ?
C20 C19 C18 117.2(10) . . ?
C20 C19 H19 121.4 . . ?
C18 C19 H19 121.4 . . ?
C21 C20 C19 120.2(12) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 118.8(8) . . ?
C20 C21 H21 120.6 . . ?
C22 C21 H21 120.6 . . ?
N2 C22 C21 122.5(11) . . ?
N2 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
O2A Dy1 O2A 82.8(5) . 2_755 ?
O2A Dy1 O2B 149.7(3) . . ?
O2A Dy1 O2B 73.3(3) 2_755 . ?
O2A Dy1 O2B 73.3(3) . 2_755 ?
O2A Dy1 O2B 149.7(3) 2_755 2_755 ?
O2B Dy1 O2B 134.9(5) . 2_755 ?
O2A Dy1 O1B 136.9(3) . . ?
O2A Dy1 O1B 114.8(3) 2_755 . ?
O2B Dy1 O1B 71.7(3) . . ?
O2B Dy1 O1B 74.1(3) 2_755 . ?
O2A Dy1 O1B 114.8(3) . 2_755 ?
O2A Dy1 O1B 136.9(3) 2_755 2_755 ?
O2B Dy1 O1B 74.1(3) . 2_755 ?
O2B Dy1 O1B 71.7(3) 2_755 2_755 ?
O1B Dy1 O1B 80.0(4) . 2_755 ?
O2A Dy1 O1A 73.7(3) . . ?
O2A Dy1 O1A 71.5(3) 2_755 . ?
O2B Dy1 O1A 114.3(3) . . ?
O2B Dy1 O1A 83.9(3) 2_755 . ?
O1B Dy1 O1A 75.5(3) . . ?
O1B Dy1 O1A 149.3(3) 2_755 . ?
O2A Dy1 O1A 71.5(3) . 2_755 ?
O2A Dy1 O1A 73.7(3) 2_755 2_755 ?
O2B Dy1 O1A 83.9(3) . 2_755 ?
O2B Dy1 O1A 114.3(3) 2_755 2_755 ?
O1B Dy1 O1A 149.3(3) . 2_755 ?
O1B Dy1 O1A 75.5(3) 2_755 2_755 ?
O1A Dy1 O1A 133.0(5) . 2_755 ?
O2D Dy2 O2D 138.2(5) . 2_655 ?
O2D Dy2 O1C 113.2(3) . 2_655 ?
O2D Dy2 O1C 83.5(3) 2_655 2_655 ?
O2D Dy2 O1C 83.5(3) . . ?
O2D Dy2 O1C 113.2(3) 2_655 . ?
O1C Dy2 O1C 133.9(5) 2_655 . ?
O2D Dy2 O2C 72.0(4) . . ?
O2D Dy2 O2C 148.1(3) 2_655 . ?
O1C Dy2 O2C 71.9(3) 2_655 . ?
O1C Dy2 O2C 73.5(3) . . ?
O2D Dy2 O2C 148.1(3) . 2_655 ?
O2D Dy2 O2C 72.0(4) 2_655 2_655 ?
O1C Dy2 O2C 73.5(3) 2_655 2_655 ?
O1C Dy2 O2C 71.9(3) . 2_655 ?
O2C Dy2 O2C 81.6(5) . 2_655 ?
O2D Dy2 O1D 75.0(3) . 2_655 ?
O2D Dy2 O1D 72.8(3) 2_655 2_655 ?
O1C Dy2 O1D 148.6(3) 2_655 2_655 ?
O1C Dy2 O1D 75.7(3) . 2_655 ?
O2C Dy2 O1D 136.8(3) . 2_655 ?
O2C Dy2 O1D 116.4(3) 2_655 2_655 ?
O2D Dy2 O1D 72.8(3) . . ?
O2D Dy2 O1D 75.0(3) 2_655 . ?
O1C Dy2 O1D 75.7(3) 2_655 . ?
O1C Dy2 O1D 148.6(3) . . ?
O2C Dy2 O1D 116.4(3) . . ?
O2C Dy2 O1D 136.8(3) 2_655 . ?
O1D Dy2 O1D 78.4(4) 2_655 . ?
C10 N1 C6 124.7(8) . . ?
C10 N1 H1 117.7 . . ?
C6 N1 H1 117.7 . . ?
C18 N2 C22 117.4(10) . . ?
C2A O1A Dy1 129.8(9) . . ?
C4A O2A Dy1 133.1(8) . . ?
C2B O1B Dy1 131.3(8) . . ?
C4B O2B Dy1 132.1(9) . . ?
C2C O1C Dy2 131.0(9) . . ?
C4C O2C Dy2 133.4(9) . . ?
C2D O1D Dy2 131.1(10) . . ?
C4D O2D Dy2 132.3(10) . . ?

_refine_diff_density_max         0.848
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.086



####################################################################### 
# 
# 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_R-1
_database_code_depnum_ccdc_archive 'CCDC 1527501'
_audit_update_record             
;
2017-03-14 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H21 Dy F18 N2 O6'
_chemical_formula_sum            'C32 H21 Dy F18 N2 O6'
_chemical_formula_weight         1034.01

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   12.3044(4)
_cell_length_b                   13.4038(3)
_cell_length_c                   13.5784(3)
_cell_angle_alpha                79.486(2)
_cell_angle_beta                 65.170(3)
_cell_angle_gamma                88.284(2)
_cell_volume                     1995.55(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    3957
_cell_measurement_theta_min      2.15
_cell_measurement_theta_max      25.48

_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_F_000             1006
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.999
_shelx_estimated_absorpt_T_min   0.703
_shelx_estimated_absorpt_T_max   0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_T_max  0.76
_exptl_absorpt_process_details   'SADABS; Bruker, 2012'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26292
_diffrn_reflns_av_unetI/netI     0.0900
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.547
_diffrn_reflns_theta_max         27.446
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16561
_reflns_number_gt                15045
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_cell_refinement       APEX2
_computing_data_reduction        APEX2
_computing_structure_solution    'SHELXS (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.045P)²+0.55P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.013(10)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         16561
_refine_ls_number_parameters     1068
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0491
_refine_ls_wR_factor_ref         0.1003
_refine_ls_wR_factor_gt          0.0999
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.6433(8) 0.4980(7) 0.0154(8) 0.044(2) Uani 1 1 d . . . . .
C2A C 0.6316(8) 0.6019(7) -0.0169(8) 0.0426(19) Uani 1 1 d . U . . .
H2A H 0.6458 0.6280 -0.0914 0.051 Uiso 1 1 calc R U . . .
C3A C 0.6013(8) 0.6640(8) 0.0544(8) 0.043(2) Uani 1 1 d . U . . .
H3A H 0.5905 0.7334 0.0315 0.052 Uiso 1 1 calc R U . . .
C4A C 0.5853(9) 0.6297(8) 0.1602(8) 0.043(2) Uani 1 1 d . . . . .
H4A H 0.5635 0.6731 0.2128 0.052 Uiso 1 1 calc R U . . .
C5A C 0.6028(8) 0.5279(7) 0.1868(8) 0.041(2) Uani 1 1 d . . . . .
H5A H 0.5999 0.5038 0.2582 0.050 Uiso 1 1 calc R U . . .
C6A C 0.6908(8) 0.4282(8) -0.0650(8) 0.045(2) Uani 1 1 d . . . . .
C7A C 0.7325(8) 0.4627(8) -0.1790(7) 0.044(2) Uani 1 1 d . . . . .
H7A H 0.7217 0.5308 -0.2067 0.053 Uiso 1 1 calc R U . . .
C8A C 0.7880(7) 0.3992(6) -0.2497(6) 0.0425(17) Uani 1 1 d . . . . .
C9A C 0.8043(8) 0.3021(7) -0.2109(7) 0.0435(17) Uani 1 1 d . . . . .
C10A C 0.7581(7) 0.2708(7) -0.0966(7) 0.0430(19) Uani 1 1 d . . . . .
H10A H 0.7628 0.2016 -0.0674 0.052 Uiso 1 1 calc R U . . .
C13A C 0.8740(7) 0.2361(6) -0.2915(7) 0.0435(17) Uani 1 1 d . . . . .
H13A H 0.8832 0.1652 -0.2581 0.052 Uiso 1 1 calc R U . . .
C14A C 0.8431(7) 0.4327(6) -0.3759(6) 0.0440(17) Uani 1 1 d . . . . .
H14A H 0.7789 0.4511 -0.4007 0.053 Uiso 1 1 calc R U . . .
H14B H 0.8981 0.4932 -0.3980 0.053 Uiso 1 1 calc R U . . .
C15A C 0.9112(7) 0.3472(6) -0.4295(6) 0.0439(17) Uani 1 1 d . . . . .
H15A H 0.9513 0.3656 -0.5119 0.053 Uiso 1 1 calc R U . . .
C16A C 0.8387(8) 0.2456(7) -0.3876(7) 0.0447(19) Uani 1 1 d . . . . .
C17A C 0.9923(8) 0.2947(7) -0.3798(7) 0.044(2) Uani 1 1 d . . . . .
H17A H 1.0298 0.3396 -0.3512 0.053 Uiso 1 1 calc R U . . .
H17B H 1.0516 0.2519 -0.4264 0.053 Uiso 1 1 calc R U . . .
C18A C 0.7046(8) 0.2567(7) -0.3532(8) 0.045(2) Uani 1 1 d . . . . .
H18A H 0.6621 0.2392 -0.2725 0.068 Uiso 1 1 calc R U . . .
H18B H 0.6754 0.2110 -0.3865 0.068 Uiso 1 1 calc R U . . .
H18C H 0.6903 0.3271 -0.3784 0.068 Uiso 1 1 calc R U . . .
C19A C 0.8927(8) 0.1680(7) -0.4623(7) 0.0447(19) Uani 1 1 d . . . . .
H19A H 0.9801 0.1795 -0.4990 0.067 Uiso 1 1 calc R U . . .
H19B H 0.8607 0.1755 -0.5181 0.067 Uiso 1 1 calc R U . . .
H19C H 0.8720 0.0993 -0.4178 0.067 Uiso 1 1 calc R U . . .
C1B C 0.3631(8) 0.4993(7) 0.9867(8) 0.043(2) Uani 1 1 d . . . . .
C2B C 0.3860(8) 0.4019(7) 1.0136(8) 0.044(2) Uani 1 1 d . . . . .
H2B H 0.3830 0.3757 1.0847 0.053 Uiso 1 1 calc R U . . .
C3B C 0.4136(8) 0.3414(8) 0.9364(7) 0.043(2) Uani 1 1 d . . . . .
H3B H 0.4233 0.2712 0.9567 0.052 Uiso 1 1 calc R U . . .
C4B C 0.4275(8) 0.3778(8) 0.8335(8) 0.044(2) Uani 1 1 d . . . . .
H4B H 0.4414 0.3344 0.7819 0.053 Uiso 1 1 calc R U . . .
C5B C 0.4207(8) 0.4825(7) 0.8047(8) 0.044(2) Uani 1 1 d . . . . .
H5B H 0.4476 0.5137 0.7292 0.053 Uiso 1 1 calc R U . . .
C6B C 0.3269(8) 0.5753(8) 1.0627(8) 0.043(2) Uani 1 1 d . . . . .
C7B C 0.3003(8) 0.5466(7) 1.1744(7) 0.0422(18) Uani 1 1 d . U . . .
H7B H 0.3039 0.4774 1.2044 0.051 Uiso 1 1 calc R U . . .
C8B C 0.2694(8) 0.6161(7) 1.2403(7) 0.0449(17) Uani 1 1 d . U . . .
C9B C 0.2619(7) 0.7152(6) 1.1971(6) 0.0426(17) Uani 1 1 d . . . . .
C10B C 0.2872(7) 0.7379(7) 1.0871(7) 0.0430(19) Uani 1 1 d . . . . .
H10B H 0.2806 0.8064 1.0569 0.052 Uiso 1 1 calc R U . . .
C13B C 0.2221(7) 0.7929(6) 1.2714(6) 0.0436(17) Uani 1 1 d . . . . .
H13B H 0.2186 0.8643 1.2354 0.052 Uiso 1 1 calc R U . . .
C14B C 0.2341(8) 0.5914(6) 1.3618(6) 0.0444(17) Uani 1 1 d . . . . .
H14C H 0.3023 0.5626 1.3759 0.053 Uiso 1 1 calc R U . . .
H14D H 0.1664 0.5398 1.3970 0.053 Uiso 1 1 calc R U . . .
C15B C 0.1963(7) 0.6890(6) 1.4134(6) 0.0430(17) Uani 1 1 d . . . . .
H15B H 0.1718 0.6768 1.4950 0.052 Uiso 1 1 calc R U . . .
C16B C 0.1141(8) 0.7506(7) 1.3782(7) 0.0457(18) Uani 1 1 d . U . . .
C17B C 0.2905(8) 0.7779(7) 1.3481(7) 0.044(2) Uani 1 1 d . . . . .
H17C H 0.3741 0.7573 1.3128 0.053 Uiso 1 1 calc R U . . .
H17D H 0.2844 0.8341 1.3882 0.053 Uiso 1 1 calc R U . . .
C18B C 0.0201(8) 0.6885(7) 1.3612(8) 0.048(2) Uani 1 1 d . U . . .
H18D H 0.0502 0.6217 1.3469 0.073 Uiso 1 1 calc R U . . .
H18E H 0.0067 0.7250 1.2982 0.073 Uiso 1 1 calc R U . . .
H18F H -0.0556 0.6799 1.4279 0.073 Uiso 1 1 calc R U . . .
C19B C 0.0591(8) 0.8383(6) 1.4457(7) 0.0444(18) Uani 1 1 d . . . . .
H19D H -0.0190 0.8144 1.5062 0.067 Uiso 1 1 calc R U . . .
H19E H 0.0488 0.8975 1.3966 0.067 Uiso 1 1 calc R U . . .
H19F H 0.1133 0.8575 1.4760 0.067 Uiso 1 1 calc R U . . .
C1C C 0.5875(8) -0.0364(7) 0.1053(7) 0.0425(18) Uani 1 1 d . U . . .
C2C C 0.5497(7) 0.0611(6) 0.1434(6) 0.0432(17) Uani 1 1 d . . . . .
C3C C 0.4289(7) 0.0765(6) 0.2019(6) 0.0436(17) Uani 1 1 d . . . . .
H3C H 0.3715 0.0218 0.2230 0.052 Uiso 1 1 calc R U . . .
C4C C 0.3910(7) 0.1675(6) 0.2294(6) 0.0423(17) Uani 1 1 d . . . . .
C5C C 0.2588(9) 0.1830(8) 0.2863(8) 0.048(2) Uani 1 1 d . . . . .
C6C C 0.4069(8) 0.3289(7) 0.5269(8) 0.0421(19) Uani 1 1 d . U . . .
C7C C 0.4935(7) 0.2727(6) 0.4442(6) 0.0434(17) Uani 1 1 d . . . . .
C8C C 0.5245(7) 0.1777(6) 0.4834(7) 0.0438(17) Uani 1 1 d . . . . .
H8C H 0.4901 0.1518 0.5606 0.053 Uiso 1 1 calc R U . . .
C9C C 0.6023(7) 0.1216(6) 0.4140(6) 0.0438(18) Uani 1 1 d . . . . .
C10C C 0.6252(7) 0.0194(6) 0.4647(7) 0.0460(16) Uani 1 1 d . U . . .
C11C C 0.9304(9) 0.4501(8) 0.2368(8) 0.046(2) Uani 1 1 d . . . . .
C12C C 0.8931(9) 0.3758(8) 0.1864(8) 0.045(2) Uani 1 1 d . . . . .
C13C C 0.9827(9) 0.3259(7) 0.1139(8) 0.045(2) Uani 1 1 d . . . . .
H13C H 1.0642 0.3391 0.0986 0.054 Uiso 1 1 calc R U . . .
C14C C 0.9530(8) 0.2569(8) 0.0641(8) 0.045(2) Uani 1 1 d . . . . .
C15C C 1.0466(9) 0.1922(8) -0.0038(8) 0.047(2) Uani 1 1 d . U . . .
C1D C 0.2081(7) 0.9723(7) 0.6282(7) 0.047(2) Uani 1 1 d . . . . .
C2D C 0.2692(7) 0.9325(6) 0.7019(7) 0.0447(18) Uani 1 1 d . . . . .
C3D C 0.2918(7) 0.9990(6) 0.7572(6) 0.0433(17) Uani 1 1 d . . . . .
H3D H 0.2701 1.0675 0.7474 0.052 Uiso 1 1 calc R U . . .
C4D C 0.3469(7) 0.9661(6) 0.8280(6) 0.0427(17) Uani 1 1 d . . . . .
C5D C 0.3800(8) 1.0460(7) 0.8798(7) 0.044(2) Uani 1 1 d . . . . .
C6D C 0.7391(8) 0.8150(7) 0.7163(8) 0.0397(18) Uani 1 1 d . U . . .
C7D C 0.6352(7) 0.7659(6) 0.7051(6) 0.0419(17) Uani 1 1 d . . . . .
C8D C 0.6561(7) 0.7480(6) 0.6035(6) 0.0428(17) Uani 1 1 d . . . . .
H8D H 0.7337 0.7637 0.5450 0.051 Uiso 1 1 calc R U . . .
C9D C 0.5680(7) 0.7080(6) 0.5834(6) 0.0434(17) Uani 1 1 d . . . . .
C10D C 0.6028(8) 0.6777(8) 0.4718(7) 0.044(2) Uani 1 1 d . U . . .
C11D C 0.0536(9) 0.5384(8) 0.7867(8) 0.042(2) Uani 1 1 d . . . . .
C12D C 0.0986(8) 0.6179(8) 0.8318(8) 0.043(2) Uani 1 1 d . . . . .
C13D C 0.0200(8) 0.6814(8) 0.8891(7) 0.044(2) Uani 1 1 d . . . . .
H13D H -0.0582 0.6820 0.8914 0.053 Uiso 1 1 calc R U . . .
C14D C 0.0484(8) 0.7443(8) 0.9434(8) 0.043(2) Uani 1 1 d . . . . .
C15D C -0.0483(9) 0.8010(8) 1.0185(9) 0.047(2) Uani 1 1 d . U . . .
Dy1 Dy 0.65625(2) 0.27752(2) 0.17493(2) 0.04259(11) Uani 1 1 d . . . . .
Dy2 Dy 0.34366(2) 0.72285(2) 0.82468(2) 0.04259(11) Uani 1 1 d . . . . .
F1C F 0.5016(4) -0.0913(4) 0.1045(4) 0.0457(10) Uani 1 1 d . U . . .
F2C F 0.6660(4) -0.0261(4) 0.0046(4) 0.0451(12) Uani 1 1 d . . . . .
F3C F 0.6302(4) -0.0956(4) 0.1618(4) 0.0457(12) Uani 1 1 d . . . . .
F4C F 0.2187(4) 0.2341(4) 0.2243(4) 0.0484(11) Uani 1 1 d . . . . .
F5C F 0.1919(4) 0.1019(4) 0.3353(4) 0.0545(15) Uani 1 1 d . . . . .
F6C F 0.2325(4) 0.2300(4) 0.3671(4) 0.0527(12) Uani 1 1 d . . . . .
F7C F 0.4629(4) 0.3966(4) 0.5468(4) 0.0463(10) Uani 1 1 d . U . . .
F8C F 0.3455(4) 0.2753(4) 0.6214(4) 0.0562(15) Uani 1 1 d . . . . .
F9C F 0.3328(4) 0.3782(4) 0.4985(4) 0.0457(10) Uani 1 1 d . . . . .
F10C F 0.7349(4) -0.0013(4) 0.4306(4) 0.0487(12) Uani 1 1 d . . . . .
F11C F 0.5805(4) -0.0555(4) 0.4426(4) 0.0496(11) Uani 1 1 d . U . . .
F12C F 0.5851(4) 0.0022(4) 0.5685(4) 0.0487(11) Uani 1 1 d . . . . .
F13C F 1.0264(4) 0.4315(4) 0.2494(4) 0.0443(11) Uani 1 1 d . . . . .
F14C F 0.9513(4) 0.5404(4) 0.1752(4) 0.0455(10) Uani 1 1 d . . . . .
F15C F 0.8542(4) 0.4679(4) 0.3292(4) 0.0449(10) Uani 1 1 d . . . . .
F16C F 1.1419(4) 0.2447(4) -0.0751(4) 0.0548(14) Uani 1 1 d . . . . .
F17C F 1.0813(4) 0.1256(4) 0.0560(4) 0.0474(11) Uani 1 1 d . . . . .
F18C F 1.0158(4) 0.1421(4) -0.0588(4) 0.0524(12) Uani 1 1 d . U . . .
F1D F 0.1786(4) 1.0624(4) 0.6297(4) 0.0465(11) Uani 1 1 d . . . . .
F2D F 0.1116(4) 0.9214(4) 0.6532(4) 0.0486(11) Uani 1 1 d . . . . .
F3D F 0.2692(4) 0.9643(4) 0.5274(4) 0.0461(11) Uani 1 1 d . . . . .
F4D F 0.3212(5) 1.0313(4) 0.9821(4) 0.0450(12) Uani 1 1 d . . . . .
F5D F 0.3679(4) 1.1346(4) 0.8393(4) 0.0448(11) Uani 1 1 d . . . . .
F6D F 0.4902(4) 1.0441(4) 0.8623(4) 0.0447(10) Uani 1 1 d . . . . .
F7D F 0.8021(5) 0.8811(4) 0.6343(4) 0.0476(12) Uani 1 1 d . . . . .
F8D F 0.8126(4) 0.7440(4) 0.7206(4) 0.0483(11) Uani 1 1 d . U . . .
F9D F 0.7104(4) 0.8473(4) 0.8044(4) 0.0455(10) Uani 1 1 d . . . . .
F10D F 0.6039(4) 0.5807(4) 0.4825(4) 0.0448(10) Uani 1 1 d . . . . .
F11D F 0.7020(4) 0.7182(4) 0.3970(4) 0.0526(13) Uani 1 1 d . U . . .
F12D F 0.5308(4) 0.7012(4) 0.4289(4) 0.0460(10) Uani 1 1 d . . . . .
F13D F 0.0149(4) 0.5824(4) 0.7171(4) 0.0452(11) Uani 1 1 d . . . . .
F14D F -0.0365(4) 0.4822(4) 0.8633(4) 0.0448(10) Uani 1 1 d . . . . .
F15D F 0.1301(4) 0.4800(4) 0.7411(4) 0.0456(10) Uani 1 1 d . . . . .
F16D F -0.1520(4) 0.7787(4) 1.0314(4) 0.0465(11) Uani 1 1 d . . . . .
F17D F -0.0307(4) 0.8971(4) 0.9792(4) 0.0457(10) Uani 1 1 d . . . . .
F18D F -0.0481(4) 0.7938(4) 1.1137(4) 0.0516(12) Uani 1 1 d . U . . .
N1A N 0.6234(7) 0.4604(6) 0.1200(6) 0.0429(18) Uani 1 1 d . . . . .
N2A N 0.7078(7) 0.3338(6) -0.0270(6) 0.0425(17) Uani 1 1 d . . . . .
N1B N 0.3766(7) 0.5388(6) 0.8829(6) 0.0416(17) Uani 1 1 d . . . . .
N2B N 0.3206(7) 0.6712(6) 1.0187(6) 0.0411(16) Uani 1 1 d . . . . .
O1C O 0.6310(6) 0.1240(5) 0.1254(5) 0.0435(15) Uani 1 1 d . . . . .
O2C O 0.4526(6) 0.2501(5) 0.2108(5) 0.0431(15) Uani 1 1 d . . . . .
O3C O 0.5350(6) 0.3148(5) 0.3477(5) 0.0426(15) Uani 1 1 d . . . . .
O4C O 0.6539(5) 0.1422(5) 0.3107(5) 0.0435(13) Uani 1 1 d . . . . .
O5C O 0.7816(6) 0.3679(5) 0.2130(5) 0.0432(14) Uani 1 1 d . . . . .
O6C O 0.8490(6) 0.2308(5) 0.0829(5) 0.0443(15) Uani 1 1 d . . . . .
O1D O 0.2931(5) 0.8419(5) 0.7031(5) 0.0434(13) Uani 1 1 d . . . . .
O2D O 0.3732(6) 0.8810(5) 0.8593(5) 0.0420(14) Uani 1 1 d . . . . .
O3D O 0.5442(6) 0.7455(5) 0.7933(5) 0.0424(14) Uani 1 1 d . . . . .
O4D O 0.4634(6) 0.6802(5) 0.6506(5) 0.0433(15) Uani 1 1 d . . . . .
O5D O 0.2074(6) 0.6208(5) 0.7995(5) 0.0436(14) Uani 1 1 d . . . . .
O6D O 0.1510(6) 0.7670(5) 0.9360(5) 0.0428(15) 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
C1A N1A 1.336(12) . ?
C1A C2A 1.405(13) . ?
C1A C6A 1.487(15) . ?
C2A C3A 1.320(14) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.357(13) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.380(14) . ?
C4A H4A 0.9500 . ?
C5A N1A 1.341(12) . ?
C5A H5A 0.9500 . ?
C6A N2A 1.322(13) . ?
C6A C7A 1.400(13) . ?
C7A C8A 1.351(12) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.354(12) . ?
C8A C14A 1.535(11) . ?
C9A C10A 1.394(12) . ?
C9A C13A 1.495(11) . ?
C10A N2A 1.326(11) . ?
C10A H10A 0.9500 . ?
C13A C16A 1.524(12) . ?
C13A C17A 1.559(11) . ?
C13A H13A 1.0000 . ?
C14A C15A 1.510(11) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A C17A 1.516(12) . ?
C15A C16A 1.529(12) . ?
C15A H15A 1.0000 . ?
C16A C19A 1.526(12) . ?
C16A C18A 1.525(13) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C1B N1B 1.353(12) . ?
C1B C2B 1.345(14) . ?
C1B C6B 1.506(13) . ?
C2B C3B 1.366(13) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.332(14) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.396(13) . ?
C4B H4B 0.9500 . ?
C5B N1B 1.332(11) . ?
C5B H5B 0.9500 . ?
C6B N2B 1.330(13) . ?
C6B C7B 1.391(13) . ?
C7B C8B 1.346(13) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.367(12) . ?
C8B C14B 1.492(11) . ?
C9B C10B 1.367(12) . ?
C9B C13B 1.510(11) . ?
C10B N2B 1.339(11) . ?
C10B H10B 0.9500 . ?
C13B C16B 1.522(11) . ?
C13B C17B 1.576(12) . ?
C13B H13B 1.0000 . ?
C14B C15B 1.563(11) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B C16B 1.465(13) . ?
C15B C17B 1.544(11) . ?
C15B H15B 1.0000 . ?
C16B C18B 1.560(13) . ?
C16B C19B 1.583(11) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C1C F3C 1.259(10) . ?
C1C F2C 1.285(10) . ?
C1C F1C 1.311(10) . ?
C1C C2C 1.484(11) . ?
C2C O1C 1.242(11) . ?
C2C C3C 1.390(10) . ?
C3C C4C 1.354(11) . ?
C3C H3C 0.9500 . ?
C4C O2C 1.285(11) . ?
C4C C5C 1.506(12) . ?
C5C F4C 1.240(12) . ?
C5C F5C 1.277(11) . ?
C5C F6C 1.284(11) . ?
C6C F9C 1.258(10) . ?
C6C F8C 1.272(11) . ?
C6C F7C 1.286(11) . ?
C6C C7C 1.490(11) . ?
C7C O3C 1.217(10) . ?
C7C C8C 1.394(11) . ?
C8C C9C 1.352(10) . ?
C8C H8C 0.9500 . ?
C9C O4C 1.252(10) . ?
C9C C10C 1.492(11) . ?
C10C F12C 1.260(9) . ?
C10C F10C 1.269(9) . ?
C10C F11C 1.297(11) . ?
C11C F15C 1.273(11) . ?
C11C F13C 1.275(11) . ?
C11C F14C 1.303(11) . ?
C11C C12C 1.486(14) . ?
C12C O5C 1.266(11) . ?
C12C C13C 1.385(12) . ?
C13C C14C 1.379(14) . ?
C13C H13C 0.9500 . ?
C14C O6C 1.243(12) . ?
C14C C15C 1.506(12) . ?
C15C F18C 1.261(12) . ?
C15C F16C 1.285(11) . ?
C15C F17C 1.281(10) . ?
C1D F1D 1.252(9) . ?
C1D F2D 1.272(10) . ?
C1D F3D 1.278(10) . ?
C1D C2D 1.505(11) . ?
C2D O1D 1.240(10) . ?
C2D C3D 1.368(12) . ?
C3D C4D 1.398(11) . ?
C3D H3D 0.9500 . ?
C4D O2D 1.226(10) . ?
C4D C5D 1.532(12) . ?
C5D F5D 1.247(11) . ?
C5D F4D 1.248(10) . ?
C5D F6D 1.275(10) . ?
C6D F7D 1.257(10) . ?
C6D F9D 1.252(10) . ?
C6D F8D 1.304(10) . ?
C6D C7D 1.531(12) . ?
C7D O3D 1.239(10) . ?
C7D C8D 1.359(11) . ?
C8D C9D 1.368(12) . ?
C8D H8D 0.9500 . ?
C9D O4D 1.243(10) . ?
C9D C10D 1.521(12) . ?
C10D F12D 1.255(11) . ?
C10D F11D 1.270(10) . ?
C10D F10D 1.281(11) . ?
C11D F15D 1.235(11) . ?
C11D F13D 1.275(11) . ?
C11D F14D 1.294(11) . ?
C11D C12D 1.539(13) . ?
C12D O5D 1.221(11) . ?
C12D C13D 1.351(14) . ?
C13D C14D 1.355(14) . ?
C13D H13D 0.9500 . ?
C14D O6D 1.266(11) . ?
C14D C15D 1.497(12) . ?
C15D F16D 1.250(11) . ?
C15D F17D 1.289(11) . ?
C15D F18D 1.280(12) . ?
Dy1 O5C 2.263(7) . ?
Dy1 O6C 2.300(6) . ?
Dy1 O3C 2.329(6) . ?
Dy1 O4C 2.330(6) . ?
Dy1 O1C 2.345(7) . ?
Dy1 O2C 2.370(6) . ?
Dy1 N1A 2.501(9) . ?
Dy1 N2A 2.510(8) . ?
Dy2 O2D 2.324(7) . ?
Dy2 O3D 2.341(7) . ?
Dy2 O1D 2.345(6) . ?
Dy2 O6D 2.343(6) . ?
Dy2 O5D 2.364(7) . ?
Dy2 O4D 2.367(6) . ?
Dy2 N2B 2.494(8) . ?
Dy2 N1B 2.525(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
N1A C1A C2A 120.0(10) . . ?
N1A C1A C6A 117.2(8) . . ?
C2A C1A C6A 122.5(8) . . ?
C3A C2A C1A 121.1(9) . . ?
C3A C2A H2A 119.4 . . ?
C1A C2A H2A 119.4 . . ?
C2A C3A C4A 120.7(10) . . ?
C2A C3A H3A 119.7 . . ?
C4A C3A H3A 119.7 . . ?
C3A C4A C5A 116.0(9) . . ?
C3A C4A H4A 122.0 . . ?
C5A C4A H4A 122.0 . . ?
N1A C5A C4A 125.2(9) . . ?
N1A C5A H5A 117.4 . . ?
C4A C5A H5A 117.4 . . ?
N2A C6A C7A 119.7(10) . . ?
N2A C6A C1A 117.5(8) . . ?
C7A C6A C1A 122.2(9) . . ?
C8A C7A C6A 120.1(10) . . ?
C8A C7A H7A 120.0 . . ?
C6A C7A H7A 120.0 . . ?
C9A C8A C7A 120.3(8) . . ?
C9A C8A C14A 116.2(7) . . ?
C7A C8A C14A 123.3(8) . . ?
C8A C9A C10A 117.3(8) . . ?
C8A C9A C13A 118.9(7) . . ?
C10A C9A C13A 123.7(8) . . ?
N2A C10A C9A 122.6(9) . . ?
N2A C10A H10A 118.7 . . ?
C9A C10A H10A 118.7 . . ?
C9A C13A C16A 112.5(7) . . ?
C9A C13A C17A 109.7(7) . . ?
C16A C13A C17A 84.3(6) . . ?
C9A C13A H13A 115.5 . . ?
C16A C13A H13A 115.5 . . ?
C17A C13A H13A 115.5 . . ?
C15A C14A C8A 109.6(7) . . ?
C15A C14A H14A 109.8 . . ?
C8A C14A H14A 109.8 . . ?
C15A C14A H14B 109.8 . . ?
C8A C14A H14B 109.8 . . ?
H14A C14A H14B 108.2 . . ?
C14A C15A C17A 115.4(7) . . ?
C14A C15A C16A 113.8(7) . . ?
C17A C15A C16A 85.7(7) . . ?
C14A C15A H15A 113.1 . . ?
C17A C15A H15A 113.1 . . ?
C16A C15A H15A 113.1 . . ?
C13A C16A C19A 114.5(8) . . ?
C13A C16A C18A 113.1(7) . . ?
C19A C16A C18A 114.2(7) . . ?
C13A C16A C15A 84.9(6) . . ?
C19A C16A C15A 113.5(7) . . ?
C18A C16A C15A 113.4(8) . . ?
C15A C17A C13A 84.1(6) . . ?
C15A C17A H17A 114.6 . . ?
C13A C17A H17A 114.6 . . ?
C15A C17A H17B 114.6 . . ?
C13A C17A H17B 114.6 . . ?
H17A C17A H17B 111.7 . . ?
C16A C18A H18A 109.5 . . ?
C16A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C16A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C16A C19A H19A 109.5 . . ?
C16A C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C16A C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
N1B C1B C2B 120.8(9) . . ?
N1B C1B C6B 113.6(9) . . ?
C2B C1B C6B 125.6(9) . . ?
C1B C2B C3B 118.5(10) . . ?
C1B C2B H2B 120.8 . . ?
C3B C2B H2B 120.8 . . ?
C4B C3B C2B 122.1(10) . . ?
C4B C3B H3B 119.0 . . ?
C2B C3B H3B 119.0 . . ?
C3B C4B C5B 117.2(10) . . ?
C3B C4B H4B 121.4 . . ?
C5B C4B H4B 121.4 . . ?
N1B C5B C4B 120.1(9) . . ?
N1B C5B H5B 119.9 . . ?
C4B C5B H5B 119.9 . . ?
N2B C6B C7B 121.1(9) . . ?
N2B C6B C1B 117.3(9) . . ?
C7B C6B C1B 121.6(9) . . ?
C8B C7B C6B 120.5(9) . . ?
C8B C7B H7B 119.8 . . ?
C6B C7B H7B 119.8 . . ?
C7B C8B C9B 119.5(8) . . ?
C7B C8B C14B 124.1(8) . . ?
C9B C8B C14B 116.3(8) . . ?
C10B C9B C8B 117.1(8) . . ?
C10B C9B C13B 123.0(8) . . ?
C8B C9B C13B 119.9(7) . . ?
N2B C10B C9B 125.0(8) . . ?
N2B C10B H10B 117.5 . . ?
C9B C10B H10B 117.5 . . ?
C9B C13B C16B 110.4(7) . . ?
C9B C13B C17B 108.7(7) . . ?
C16B C13B C17B 83.6(6) . . ?
C9B C13B H13B 116.6 . . ?
C16B C13B H13B 116.6 . . ?
C17B C13B H13B 116.6 . . ?
C8B C14B C15B 110.4(7) . . ?
C8B C14B H14C 109.6 . . ?
C15B C14B H14C 109.6 . . ?
C8B C14B H14D 109.6 . . ?
C15B C14B H14D 109.6 . . ?
H14C C14B H14D 108.1 . . ?
C16B C15B C17B 86.6(7) . . ?
C16B C15B C14B 114.5(7) . . ?
C17B C15B C14B 111.4(7) . . ?
C16B C15B H15B 113.8 . . ?
C17B C15B H15B 113.8 . . ?
C14B C15B H15B 113.8 . . ?
C15B C16B C13B 87.8(6) . . ?
C15B C16B C18B 114.8(8) . . ?
C13B C16B C18B 113.7(7) . . ?
C15B C16B C19B 114.1(7) . . ?
C13B C16B C19B 109.9(7) . . ?
C18B C16B C19B 113.9(7) . . ?
C15B C17B C13B 83.2(6) . . ?
C15B C17B H17C 114.8 . . ?
C13B C17B H17C 114.8 . . ?
C15B C17B H17D 114.8 . . ?
C13B C17B H17D 114.8 . . ?
H17C C17B H17D 111.9 . . ?
C16B C18B H18D 109.5 . . ?
C16B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C16B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C16B C19B H19D 109.5 . . ?
C16B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C16B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
F3C C1C F2C 106.0(6) . . ?
F3C C1C F1C 104.4(7) . . ?
F2C C1C F1C 101.9(7) . . ?
F3C C1C C2C 114.6(7) . . ?
F2C C1C C2C 114.1(8) . . ?
F1C C1C C2C 114.4(7) . . ?
O1C C2C C3C 123.0(7) . . ?
O1C C2C C1C 116.6(7) . . ?
C3C C2C C1C 120.3(8) . . ?
C4C C3C C2C 121.6(8) . . ?
C4C C3C H3C 119.2 . . ?
C2C C3C H3C 119.2 . . ?
O2C C4C C3C 129.3(7) . . ?
O2C C4C C5C 110.7(7) . . ?
C3C C4C C5C 119.9(8) . . ?
F4C C5C F5C 108.2(8) . . ?
F4C C5C F6C 105.3(9) . . ?
F5C C5C F6C 100.8(8) . . ?
F4C C5C C4C 113.2(8) . . ?
F5C C5C C4C 115.4(9) . . ?
F6C C5C C4C 112.8(8) . . ?
F9C C6C F8C 105.9(7) . . ?
F9C C6C F7C 104.0(7) . . ?
F8C C6C F7C 104.1(8) . . ?
F9C C6C C7C 116.0(8) . . ?
F8C C6C C7C 115.3(8) . . ?
F7C C6C C7C 110.4(8) . . ?
O3C C7C C8C 124.9(7) . . ?
O3C C7C C6C 117.3(8) . . ?
C8C C7C C6C 117.7(7) . . ?
C9C C8C C7C 121.5(8) . . ?
C9C C8C H8C 119.3 . . ?
C7C C8C H8C 119.3 . . ?
O4C C9C C8C 128.2(8) . . ?
O4C C9C C10C 114.8(6) . . ?
C8C C9C C10C 116.9(7) . . ?
F12C C10C F10C 105.1(6) . . ?
F12C C10C F11C 104.5(7) . . ?
F10C C10C F11C 101.3(7) . . ?
F12C C10C C9C 115.5(7) . . ?
F10C C10C C9C 115.1(7) . . ?
F11C C10C C9C 113.8(7) . . ?
F15C C11C F13C 105.4(8) . . ?
F15C C11C F14C 101.4(8) . . ?
F13C C11C F14C 104.7(8) . . ?
F15C C11C C12C 117.4(8) . . ?
F13C C11C C12C 115.5(9) . . ?
F14C C11C C12C 110.8(8) . . ?
O5C C12C C13C 127.3(10) . . ?
O5C C12C C11C 115.3(8) . . ?
C13C C12C C11C 117.4(9) . . ?
C14C C13C C12C 119.7(10) . . ?
C14C C13C H13C 120.2 . . ?
C12C C13C H13C 120.2 . . ?
O6C C14C C13C 125.0(9) . . ?
O6C C14C C15C 113.5(9) . . ?
C13C C14C C15C 120.6(9) . . ?
F18C C15C F16C 104.9(8) . . ?
F18C C15C F17C 104.6(8) . . ?
F16C C15C F17C 105.8(8) . . ?
F18C C15C C14C 116.1(9) . . ?
F16C C15C C14C 112.5(9) . . ?
F17C C15C C14C 112.0(8) . . ?
F1D C1D F2D 105.0(6) . . ?
F1D C1D F3D 107.8(6) . . ?
F2D C1D F3D 102.1(8) . . ?
F1D C1D C2D 114.8(8) . . ?
F2D C1D C2D 112.6(7) . . ?
F3D C1D C2D 113.4(6) . . ?
O1D C2D C3D 128.7(8) . . ?
O1D C2D C1D 114.1(8) . . ?
C3D C2D C1D 117.3(7) . . ?
C2D C3D C4D 119.9(7) . . ?
C2D C3D H3D 120.0 . . ?
C4D C3D H3D 120.0 . . ?
O2D C4D C3D 130.8(8) . . ?
O2D C4D C5D 111.5(8) . . ?
C3D C4D C5D 117.6(7) . . ?
F5D C5D F4D 109.3(8) . . ?
F5D C5D F6D 104.5(7) . . ?
F4D C5D F6D 106.3(7) . . ?
F5D C5D C4D 112.8(8) . . ?
F4D C5D C4D 112.0(7) . . ?
F6D C5D C4D 111.4(7) . . ?
F7D C6D F9D 110.9(8) . . ?
F7D C6D F8D 104.4(7) . . ?
F9D C6D F8D 104.1(7) . . ?
F7D C6D C7D 114.5(8) . . ?
F9D C6D C7D 114.6(7) . . ?
F8D C6D C7D 107.2(7) . . ?
O3D C7D C8D 129.7(8) . . ?
O3D C7D C6D 113.4(7) . . ?
C8D C7D C6D 116.8(7) . . ?
C9D C8D C7D 121.6(7) . . ?
C9D C8D H8D 119.2 . . ?
C7D C8D H8D 119.2 . . ?
O4D C9D C8D 127.7(8) . . ?
O4D C9D C10D 113.4(8) . . ?
C8D C9D C10D 118.2(7) . . ?
F12D C10D F11D 102.9(8) . . ?
F12D C10D F10D 103.7(8) . . ?
F11D C10D F10D 110.1(7) . . ?
F12D C10D C9D 114.9(7) . . ?
F11D C10D C9D 114.5(9) . . ?
F10D C10D C9D 110.0(7) . . ?
F15D C11D F13D 107.6(8) . . ?
F15D C11D F14D 106.5(8) . . ?
F13D C11D F14D 105.2(8) . . ?
F15D C11D C12D 114.4(8) . . ?
F13D C11D C12D 110.2(8) . . ?
F14D C11D C12D 112.3(8) . . ?
O5D C12D C13D 128.0(9) . . ?
O5D C12D C11D 112.5(8) . . ?
C13D C12D C11D 119.1(9) . . ?
C14D C13D C12D 122.7(9) . . ?
C14D C13D H13D 118.7 . . ?
C12D C13D H13D 118.7 . . ?
O6D C14D C13D 128.2(9) . . ?
O6D C14D C15D 112.4(9) . . ?
C13D C14D C15D 119.3(9) . . ?
F16D C15D F17D 105.6(8) . . ?
F16D C15D F18D 108.6(8) . . ?
F17D C15D F18D 103.4(8) . . ?
F16D C15D C14D 114.9(8) . . ?
F17D C15D C14D 110.0(8) . . ?
F18D C15D C14D 113.4(8) . . ?
O5C Dy1 O6C 71.2(2) . . ?
O5C Dy1 O3C 76.3(2) . . ?
O6C Dy1 O3C 138.0(2) . . ?
O5C Dy1 O4C 89.5(2) . . ?
O6C Dy1 O4C 82.6(2) . . ?
O3C Dy1 O4C 71.2(2) . . ?
O5C Dy1 O1C 143.6(2) . . ?
O6C Dy1 O1C 76.1(2) . . ?
O3C Dy1 O1C 121.8(2) . . ?
O4C Dy1 O1C 70.5(2) . . ?
O5C Dy1 O2C 143.7(2) . . ?
O6C Dy1 O2C 145.2(2) . . ?
O3C Dy1 O2C 71.1(2) . . ?
O4C Dy1 O2C 94.8(2) . . ?
O1C Dy1 O2C 70.3(2) . . ?
O5C Dy1 N1A 74.0(2) . . ?
O6C Dy1 N1A 114.5(2) . . ?
O3C Dy1 N1A 80.0(2) . . ?
O4C Dy1 N1A 149.5(2) . . ?
O1C Dy1 N1A 136.1(2) . . ?
O2C Dy1 N1A 84.8(2) . . ?
O5C Dy1 N2A 106.8(2) . . ?
O6C Dy1 N2A 74.1(2) . . ?
O3C Dy1 N2A 142.1(2) . . ?
O4C Dy1 N2A 145.0(2) . . ?
O1C Dy1 N2A 78.6(2) . . ?
O2C Dy1 N2A 90.0(2) . . ?
N1A Dy1 N2A 65.4(2) . . ?
O2D Dy2 O3D 70.8(2) . . ?
O2D Dy2 O1D 74.2(2) . . ?
O3D Dy2 O1D 111.9(2) . . ?
O2D Dy2 O6D 75.6(2) . . ?
O3D Dy2 O6D 141.0(2) . . ?
O1D Dy2 O6D 76.2(2) . . ?
O2D Dy2 O5D 143.6(2) . . ?
O3D Dy2 O5D 144.3(2) . . ?
O1D Dy2 O5D 80.3(2) . . ?
O6D Dy2 O5D 73.5(2) . . ?
O2D Dy2 O4D 119.8(2) . . ?
O3D Dy2 O4D 72.8(2) . . ?
O1D Dy2 O4D 77.2(2) . . ?
O6D Dy2 O4D 143.6(2) . . ?
O5D Dy2 O4D 78.0(2) . . ?
O2D Dy2 N2B 80.6(2) . . ?
O3D Dy2 N2B 81.2(2) . . ?
O1D Dy2 N2B 145.0(2) . . ?
O6D Dy2 N2B 74.3(2) . . ?
O5D Dy2 N2B 108.4(2) . . ?
O4D Dy2 N2B 137.3(2) . . ?
O2D Dy2 N1B 138.8(2) . . ?
O3D Dy2 N1B 83.0(2) . . ?
O1D Dy2 N1B 146.6(2) . . ?
O6D Dy2 N1B 111.5(2) . . ?
O5D Dy2 N1B 71.7(2) . . ?
O4D Dy2 N1B 79.5(2) . . ?
N2B Dy2 N1B 64.0(3) . . ?
C1A N1A C5A 116.5(9) . . ?
C1A N1A Dy1 119.9(7) . . ?
C5A N1A Dy1 123.0(6) . . ?
C10A N2A C6A 119.8(8) . . ?
C10A N2A Dy1 120.2(6) . . ?
C6A N2A Dy1 119.9(6) . . ?
C5B N1B C1B 119.6(8) . . ?
C5B N1B Dy2 117.6(6) . . ?
C1B N1B Dy2 122.4(6) . . ?
C10B N2B C6B 116.8(8) . . ?
C10B N2B Dy2 120.5(6) . . ?
C6B N2B Dy2 122.3(6) . . ?
C2C O1C Dy1 139.5(5) . . ?
C4C O2C Dy1 130.7(5) . . ?
C7C O3C Dy1 138.5(6) . . ?
C9C O4C Dy1 135.3(5) . . ?
C12C O5C Dy1 137.4(6) . . ?
C14C O6C Dy1 139.0(6) . . ?
C2D O1D Dy2 132.1(5) . . ?
C4D O2D Dy2 131.8(6) . . ?
C7D O3D Dy2 129.8(6) . . ?
C9D O4D Dy2 130.9(6) . . ?
C12D O5D Dy2 133.4(6) . . ?
C14D O6D Dy2 132.1(6) . . ?

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
N1A C1A C2A C3A 0.1(15) . . . . ?
C6A C1A C2A C3A -172.8(9) . . . . ?
C1A C2A C3A C4A 2.8(15) . . . . ?
C2A C3A C4A C5A 0.0(14) . . . . ?
C3A C4A C5A N1A -6.1(15) . . . . ?
N1A C1A C6A N2A 1.2(13) . . . . ?
C2A C1A C6A N2A 174.3(9) . . . . ?
N1A C1A C6A C7A -169.9(9) . . . . ?
C2A C1A C6A C7A 3.2(15) . . . . ?
N2A C6A C7A C8A 1.1(14) . . . . ?
C1A C6A C7A C8A 172.0(8) . . . . ?
C6A C7A C8A C9A -0.4(14) . . . . ?
C6A C7A C8A C14A -176.1(8) . . . . ?
C7A C8A C9A C10A 2.2(13) . . . . ?
C14A C8A C9A C10A 178.2(8) . . . . ?
C7A C8A C9A C13A -175.5(8) . . . . ?
C14A C8A C9A C13A 0.5(12) . . . . ?
C8A C9A C10A N2A -5.0(13) . . . . ?
C13A C9A C10A N2A 172.5(8) . . . . ?
C8A C9A C13A C16A -44.5(11) . . . . ?
C10A C9A C13A C16A 138.0(9) . . . . ?
C8A C9A C13A C17A 47.5(10) . . . . ?
C10A C9A C13A C17A -130.0(9) . . . . ?
C9A C8A C14A C15A -3.0(11) . . . . ?
C7A C8A C14A C15A 172.9(8) . . . . ?
C8A C14A C15A C17A -45.8(9) . . . . ?
C8A C14A C15A C16A 51.0(9) . . . . ?
C9A C13A C16A C19A -170.9(7) . . . . ?
C17A C13A C16A C19A 80.2(8) . . . . ?
C9A C13A C16A C18A -37.7(10) . . . . ?
C17A C13A C16A C18A -146.6(8) . . . . ?
C9A C13A C16A C15A 75.6(7) . . . . ?
C17A C13A C16A C15A -33.3(6) . . . . ?
C14A C15A C16A C13A -81.6(8) . . . . ?
C17A C15A C16A C13A 34.3(6) . . . . ?
C14A C15A C16A C19A 163.9(7) . . . . ?
C17A C15A C16A C19A -80.2(8) . . . . ?
C14A C15A C16A C18A 31.4(10) . . . . ?
C17A C15A C16A C18A 147.3(7) . . . . ?
C14A C15A C17A C13A 80.8(7) . . . . ?
C16A C15A C17A C13A -33.5(6) . . . . ?
C9A C13A C17A C15A -78.2(7) . . . . ?
C16A C13A C17A C15A 33.7(6) . . . . ?
N1B C1B C2B C3B -5.3(14) . . . . ?
C6B C1B C2B C3B 177.6(9) . . . . ?
C1B C2B C3B C4B 5.2(14) . . . . ?
C2B C3B C4B C5B 4.3(14) . . . . ?
C3B C4B C5B N1B -14.2(14) . . . . ?
N1B C1B C6B N2B -4.4(12) . . . . ?
C2B C1B C6B N2B 172.9(10) . . . . ?
N1B C1B C6B C7B 175.1(8) . . . . ?
C2B C1B C6B C7B -7.6(15) . . . . ?
N2B C6B C7B C8B -1.2(14) . . . . ?
C1B C6B C7B C8B 179.3(9) . . . . ?
C6B C7B C8B C9B 1.3(13) . . . . ?
C6B C7B C8B C14B 177.1(8) . . . . ?
C7B C8B C9B C10B -0.2(13) . . . . ?
C14B C8B C9B C10B -176.3(7) . . . . ?
C7B C8B C9B C13B 177.3(8) . . . . ?
C14B C8B C9B C13B 1.2(12) . . . . ?
C8B C9B C10B N2B -1.3(13) . . . . ?
C13B C9B C10B N2B -178.7(8) . . . . ?
C10B C9B C13B C16B 133.0(9) . . . . ?
C8B C9B C13B C16B -44.4(11) . . . . ?
C10B C9B C13B C17B -137.0(8) . . . . ?
C8B C9B C13B C17B 45.6(10) . . . . ?
C7B C8B C14B C15B -176.4(8) . . . . ?
C9B C8B C14B C15B -0.5(11) . . . . ?
C8B C14B C15B C16B 46.7(9) . . . . ?
C8B C14B C15B C17B -49.5(9) . . . . ?
C17B C15B C16B C13B 33.0(6) . . . . ?
C14B C15B C16B C13B -79.1(7) . . . . ?
C17B C15B C16B C18B 148.1(7) . . . . ?
C14B C15B C16B C18B 36.1(10) . . . . ?
C17B C15B C16B C19B -77.9(8) . . . . ?
C14B C15B C16B C19B 170.1(7) . . . . ?
C9B C13B C16B C15B 75.2(8) . . . . ?
C17B C13B C16B C15B -32.4(6) . . . . ?
C9B C13B C16B C18B -41.0(10) . . . . ?
C17B C13B C16B C18B -148.5(8) . . . . ?
C9B C13B C16B C19B -170.0(7) . . . . ?
C17B C13B C16B C19B 82.5(8) . . . . ?
C16B C15B C17B C13B -31.9(6) . . . . ?
C14B C15B C17B C13B 83.1(7) . . . . ?
C9B C13B C17B C15B -78.6(7) . . . . ?
C16B C13B C17B C15B 30.7(6) . . . . ?
F3C C1C C2C O1C 73.0(10) . . . . ?
F2C C1C C2C O1C -49.5(11) . . . . ?
F1C C1C C2C O1C -166.4(7) . . . . ?
F3C C1C C2C C3C -103.4(9) . . . . ?
F2C C1C C2C C3C 134.1(8) . . . . ?
F1C C1C C2C C3C 17.3(12) . . . . ?
O1C C2C C3C C4C 9.7(13) . . . . ?
C1C C2C C3C C4C -174.2(8) . . . . ?
C2C C3C C4C O2C -1.1(14) . . . . ?
C2C C3C C4C C5C 176.1(8) . . . . ?
O2C C4C C5C F4C 73.0(10) . . . . ?
C3C C4C C5C F4C -104.7(10) . . . . ?
O2C C4C C5C F5C -161.5(8) . . . . ?
C3C C4C C5C F5C 20.8(12) . . . . ?
O2C C4C C5C F6C -46.4(11) . . . . ?
C3C C4C C5C F6C 135.9(9) . . . . ?
F9C C6C C7C O3C 40.1(13) . . . . ?
F8C C6C C7C O3C 164.7(8) . . . . ?
F7C C6C C7C O3C -77.8(11) . . . . ?
F9C C6C C7C C8C -142.4(9) . . . . ?
F8C C6C C7C C8C -17.8(13) . . . . ?
F7C C6C C7C C8C 99.7(10) . . . . ?
O3C C7C C8C C9C -2.8(15) . . . . ?
C6C C7C C8C C9C 179.9(9) . . . . ?
C7C C8C C9C O4C -1.7(16) . . . . ?
C7C C8C C9C C10C -177.7(8) . . . . ?
O4C C9C C10C F12C 172.3(7) . . . . ?
C8C C9C C10C F12C -11.1(12) . . . . ?
O4C C9C C10C F10C 49.6(12) . . . . ?
C8C C9C C10C F10C -133.9(9) . . . . ?
O4C C9C C10C F11C -66.8(10) . . . . ?
C8C C9C C10C F11C 109.8(9) . . . . ?
F15C C11C C12C O5C 27.3(14) . . . . ?
F13C C11C C12C O5C 152.6(8) . . . . ?
F14C C11C C12C O5C -88.6(10) . . . . ?
F15C C11C C12C C13C -154.8(9) . . . . ?
F13C C11C C12C C13C -29.4(13) . . . . ?
F14C C11C C12C C13C 89.3(11) . . . . ?
O5C C12C C13C C14C -1.7(16) . . . . ?
C11C C12C C13C C14C -179.4(9) . . . . ?
C12C C13C C14C O6C -3.7(17) . . . . ?
C12C C13C C14C C15C -172.4(9) . . . . ?
O6C C14C C15C F18C 19.9(13) . . . . ?
C13C C14C C15C F18C -170.3(9) . . . . ?
O6C C14C C15C F16C 140.7(9) . . . . ?
C13C C14C C15C F16C -49.5(13) . . . . ?
O6C C14C C15C F17C -100.3(11) . . . . ?
C13C C14C C15C F17C 69.6(13) . . . . ?
F1D C1D C2D O1D 177.0(7) . . . . ?
F2D C1D C2D O1D 57.0(10) . . . . ?
F3D C1D C2D O1D -58.4(10) . . . . ?
F1D C1D C2D C3D -3.5(11) . . . . ?
F2D C1D C2D C3D -123.5(9) . . . . ?
F3D C1D C2D C3D 121.1(8) . . . . ?
O1D C2D C3D C4D -1.4(14) . . . . ?
C1D C2D C3D C4D 179.1(7) . . . . ?
C2D C3D C4D O2D -6.6(14) . . . . ?
C2D C3D C4D C5D 174.7(7) . . . . ?
O2D C4D C5D F5D 171.7(7) . . . . ?
C3D C4D C5D F5D -9.4(11) . . . . ?
O2D C4D C5D F4D -64.5(10) . . . . ?
C3D C4D C5D F4D 114.4(9) . . . . ?
O2D C4D C5D F6D 54.5(10) . . . . ?
C3D C4D C5D F6D -126.6(8) . . . . ?
F7D C6D C7D O3D -144.6(8) . . . . ?
F9D C6D C7D O3D -14.7(11) . . . . ?
F8D C6D C7D O3D 100.2(8) . . . . ?
F7D C6D C7D C8D 37.5(10) . . . . ?
F9D C6D C7D C8D 167.4(7) . . . . ?
F8D C6D C7D C8D -77.7(9) . . . . ?
O3D C7D C8D C9D 5.1(13) . . . . ?
C6D C7D C8D C9D -177.4(7) . . . . ?
C7D C8D C9D O4D -2.6(13) . . . . ?
C7D C8D C9D C10D -172.2(8) . . . . ?
O4D C9D C10D F12D 50.9(11) . . . . ?
C8D C9D C10D F12D -138.0(8) . . . . ?
O4D C9D C10D F11D 169.8(8) . . . . ?
C8D C9D C10D F11D -19.1(12) . . . . ?
O4D C9D C10D F10D -65.6(10) . . . . ?
C8D C9D C10D F10D 105.4(9) . . . . ?
F15D C11D C12D O5D 11.1(13) . . . . ?
F13D C11D C12D O5D -110.3(10) . . . . ?
F14D C11D C12D O5D 132.7(9) . . . . ?
F15D C11D C12D C13D -176.0(9) . . . . ?
F13D C11D C12D C13D 62.6(12) . . . . ?
F14D C11D C12D C13D -54.4(13) . . . . ?
O5D C12D C13D C14D -17.0(17) . . . . ?
C11D C12D C13D C14D 171.3(9) . . . . ?
C12D C13D C14D O6D 12.6(17) . . . . ?
C12D C13D C14D C15D -171.0(10) . . . . ?
O6D C14D C15D F16D -177.8(8) . . . . ?
C13D C14D C15D F16D 5.3(14) . . . . ?
O6D C14D C15D F17D 63.2(11) . . . . ?
C13D C14D C15D F17D -113.7(10) . . . . ?
O6D C14D C15D F18D -52.1(11) . . . . ?
C13D C14D C15D F18D 131.0(10) . . . . ?
C2A C1A N1A C5A -5.5(13) . . . . ?
C6A C1A N1A C5A 167.7(9) . . . . ?
C2A C1A N1A Dy1 -176.3(7) . . . . ?
C6A C1A N1A Dy1 -3.1(11) . . . . ?
C4A C5A N1A C1A 8.8(14) . . . . ?
C4A C5A N1A Dy1 179.3(8) . . . . ?
C9A C10A N2A C6A 5.9(14) . . . . ?
C9A C10A N2A Dy1 -170.5(6) . . . . ?
C7A C6A N2A C10A -3.8(14) . . . . ?
C1A C6A N2A C10A -175.1(8) . . . . ?
C7A C6A N2A Dy1 172.6(6) . . . . ?
C1A C6A N2A Dy1 1.2(11) . . . . ?
C4B C5B N1B C1B 14.4(14) . . . . ?
C4B C5B N1B Dy2 -172.4(7) . . . . ?
C2B C1B N1B C5B -4.6(14) . . . . ?
C6B C1B N1B C5B 172.9(8) . . . . ?
C2B C1B N1B Dy2 -177.4(7) . . . . ?
C6B C1B N1B Dy2 0.1(11) . . . . ?
C9B C10B N2B C6B 1.4(13) . . . . ?
C9B C10B N2B Dy2 174.0(7) . . . . ?
C7B C6B N2B C10B -0.2(13) . . . . ?
C1B C6B N2B C10B 179.4(8) . . . . ?
C7B C6B N2B Dy2 -172.6(6) . . . . ?
C1B C6B N2B Dy2 7.0(11) . . . . ?
C3C C2C O1C Dy1 7.4(14) . . . . ?
C1C C2C O1C Dy1 -168.9(6) . . . . ?
C3C C4C O2C Dy1 -22.8(13) . . . . ?
C5C C4C O2C Dy1 159.8(6) . . . . ?
C8C C7C O3C Dy1 9.0(16) . . . . ?
C6C C7C O3C Dy1 -173.7(6) . . . . ?
C8C C9C O4C Dy1 0.4(15) . . . . ?
C10C C9C O4C Dy1 176.6(6) . . . . ?
C13C C12C O5C Dy1 2.1(16) . . . . ?
C11C C12C O5C Dy1 179.8(6) . . . . ?
C13C C14C O6C Dy1 9.8(17) . . . . ?
C15C C14C O6C Dy1 179.1(6) . . . . ?
C3D C2D O1D Dy2 17.1(13) . . . . ?
C1D C2D O1D Dy2 -163.4(5) . . . . ?
C3D C4D O2D Dy2 -2.0(13) . . . . ?
C5D C4D O2D Dy2 176.8(5) . . . . ?
C8D C7D O3D Dy2 -25.3(13) . . . . ?
C6D C7D O3D Dy2 157.1(6) . . . . ?
C8D C9D O4D Dy2 20.8(13) . . . . ?
C10D C9D O4D Dy2 -169.2(6) . . . . ?
C13D C12D O5D Dy2 5.3(17) . . . . ?
C11D C12D O5D Dy2 177.5(6) . . . . ?
C13D C14D O6D Dy2 3.1(16) . . . . ?
C15D C14D O6D Dy2 -173.4(6) . . . . ?

_refine_diff_density_max         0.956
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.077



####################################################################### 
# 
# 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_S-1
_database_code_depnum_ccdc_archive 'CCDC 1527502'
_audit_update_record             
;
2017-03-14 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H21 Dy F18 N2 O6'
_chemical_formula_sum            'C32 H21 Dy F18 N2 O6'
_chemical_formula_weight         1034.01

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   12.2833(3)
_cell_length_b                   13.3940(5)
_cell_length_c                   13.5543(4)
_cell_angle_alpha                79.609(2)
_cell_angle_beta                 65.170(3)
_cell_angle_gamma                88.439(2)
_cell_volume                     1987.71(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    3157
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      25.02

_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_F_000             1006
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    2.007
_shelx_estimated_absorpt_T_min   0.594
_shelx_estimated_absorpt_T_max   0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_process_details   'SADABS; Bruker, 2012'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25078
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.548
_diffrn_reflns_theta_max         27.449
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16786
_reflns_number_gt                15196
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_cell_refinement       APEX2
_computing_data_reduction        APEX2
_computing_structure_solution    'SHELXs (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.03P)²+0.55P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.027(9)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         16786
_refine_ls_number_parameters     1068
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0389
_refine_ls_wR_factor_ref         0.0851
_refine_ls_wR_factor_gt          0.0847
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1A C 0.3573(8) 0.5051(7) 0.9822(7) 0.0407(19) Uani 1 1 d . . . . .
C2A C 0.3717(8) 0.3961(7) 1.0186(7) 0.045(2) Uani 1 1 d . . . . .
H2A H 0.3603 0.3724 1.0928 0.054 Uiso 1 1 calc R U . . .
C3A C 0.3992(8) 0.3330(7) 0.9517(7) 0.0425(18) Uani 1 1 d . . . . .
H3A H 0.4117 0.2638 0.9737 0.051 Uiso 1 1 calc R U . . .
C4A C 0.4098(8) 0.3719(7) 0.8441(7) 0.044(2) Uani 1 1 d . . . . .
H4A H 0.4281 0.3291 0.7911 0.053 Uiso 1 1 calc R U . . .
C5A C 0.3933(8) 0.4716(7) 0.8183(7) 0.0428(19) Uani 1 1 d . . . . .
H5A H 0.3966 0.4961 0.7468 0.051 Uiso 1 1 calc R U . . .
C6A C 0.3106(8) 0.5700(7) 1.0665(7) 0.046(2) Uani 1 1 d . . . . .
C7A C 0.2677(8) 0.5390(7) 1.1781(7) 0.046(2) Uani 1 1 d . . . . .
H7A H 0.2768 0.4703 1.2055 0.056 Uiso 1 1 calc R U . . .
C8A C 0.2140(7) 0.5988(6) 1.2510(6) 0.0440(16) Uani 1 1 d . . . . .
C9A C 0.1977(7) 0.6968(6) 1.2116(6) 0.0433(15) Uani 1 1 d . . . . .
C10A C 0.2451(7) 0.7271(7) 1.0969(6) 0.0454(18) Uani 1 1 d . . . . .
H10A H 0.2407 0.7962 1.0673 0.054 Uiso 1 1 calc R U . . .
C13A C 0.1269(6) 0.7603(6) 1.2926(6) 0.0449(16) Uani 1 1 d . . . . .
H13A H 0.1171 0.8311 1.2596 0.054 Uiso 1 1 calc R U . . .
C14A C 0.1571(7) 0.5632(6) 1.3789(6) 0.0465(16) Uani 1 1 d . . . . .
H14A H 0.1001 0.5040 1.4005 0.056 Uiso 1 1 calc R U . . .
H14B H 0.2204 0.5431 1.4044 0.056 Uiso 1 1 calc R U . . .
C15A C 0.0923(7) 0.6506(6) 1.4302(6) 0.0458(16) Uani 1 1 d . . . . .
H15A H 0.0523 0.6326 1.5127 0.055 Uiso 1 1 calc R U . . .
C16A C 0.1614(8) 0.7520(6) 1.3904(7) 0.0472(18) Uani 1 1 d . . . . .
C17A C 0.0075(8) 0.7013(7) 1.3819(7) 0.055(2) Uani 1 1 d . . . . .
H17A H -0.0520 0.7440 1.4287 0.065 Uiso 1 1 calc R U . . .
H17B H -0.0300 0.6555 1.3538 0.065 Uiso 1 1 calc R U . . .
C18A C 0.2959(8) 0.7456(7) 1.3551(7) 0.048(2) Uani 1 1 d . . . . .
H18A H 0.3112 0.6854 1.3994 0.071 Uiso 1 1 calc R U . . .
H18B H 0.3278 0.8067 1.3664 0.071 Uiso 1 1 calc R U . . .
H18C H 0.3352 0.7406 1.2766 0.071 Uiso 1 1 calc R U . . .
C19A C 0.1118(7) 0.8317(6) 1.4608(6) 0.0454(17) Uani 1 1 d . . . . .
H19A H 0.0240 0.8228 1.4976 0.068 Uiso 1 1 calc R U . . .
H19B H 0.1354 0.8993 1.4140 0.068 Uiso 1 1 calc R U . . .
H19C H 0.1439 0.8247 1.5167 0.068 Uiso 1 1 calc R U . . .
C1B C 0.6361(8) 0.5030(7) 0.0099(7) 0.0432(19) Uani 1 1 d . . . . .
C2B C 0.6170(8) 0.5942(7) -0.0117(8) 0.046(2) Uani 1 1 d . . . . .
H2B H 0.6215 0.6222 -0.0830 0.055 Uiso 1 1 calc R U . . .
C3B C 0.5884(8) 0.6574(8) 0.0689(7) 0.047(2) Uani 1 1 d . . . . .
H3B H 0.5803 0.7278 0.0480 0.056 Uiso 1 1 calc R U . . .
C4B C 0.5733(9) 0.6231(7) 0.1683(8) 0.047(2) Uani 1 1 d . . . . .
H4B H 0.5559 0.6671 0.2202 0.057 Uiso 1 1 calc R U . . .
C5B C 0.5833(8) 0.5177(7) 0.1988(7) 0.0436(19) Uani 1 1 d . . . . .
H5B H 0.5635 0.4884 0.2739 0.052 Uiso 1 1 calc R U . . .
C6B C 0.6731(8) 0.4237(7) -0.0623(7) 0.0417(19) Uani 1 1 d . . . . .
C7B C 0.6976(7) 0.4542(7) -0.1754(7) 0.0438(18) Uani 1 1 d . . . . .
H7B H 0.6911 0.5229 -0.2050 0.053 Uiso 1 1 calc R U . . .
C8B C 0.7308(7) 0.3827(6) -0.2404(6) 0.0444(16) Uani 1 1 d . . . . .
C9B C 0.7371(7) 0.2843(6) -0.1951(6) 0.0432(15) Uani 1 1 d . . . . .
C10B C 0.7120(7) 0.2588(6) -0.0872(6) 0.0442(18) Uani 1 1 d . . . . .
H10B H 0.7164 0.1898 -0.0573 0.053 Uiso 1 1 calc R U . . .
C13B C 0.7775(7) 0.2089(6) -0.2720(6) 0.0459(16) Uani 1 1 d . . . . .
H13B H 0.7843 0.1378 -0.2377 0.055 Uiso 1 1 calc R U . . .
C14B C 0.7552(7) 0.4095(6) -0.3607(6) 0.0453(16) Uani 1 1 d . . . . .
H14C H 0.8190 0.4646 -0.3993 0.054 Uiso 1 1 calc R U . . .
H14D H 0.6817 0.4333 -0.3685 0.054 Uiso 1 1 calc R U . . .
C15B C 0.7964(7) 0.3114(6) -0.4124(6) 0.0476(16) Uani 1 1 d . . . . .
H15B H 0.8185 0.3225 -0.4936 0.057 Uiso 1 1 calc R U . . .
C16B C 0.8834(7) 0.2531(6) -0.3797(6) 0.0459(17) Uani 1 1 d . . . . .
C17B C 0.7062(9) 0.2204(7) -0.3449(7) 0.047(2) Uani 1 1 d . . . . .
H17C H 0.7129 0.1637 -0.3846 0.057 Uiso 1 1 calc R U . . .
H17D H 0.6219 0.2386 -0.3074 0.057 Uiso 1 1 calc R U . . .
C18B C 0.9756(8) 0.3151(7) -0.3632(7) 0.052(2) Uani 1 1 d . . . . .
H18D H 0.9646 0.3877 -0.3812 0.079 Uiso 1 1 calc R U . . .
H18E H 1.0570 0.2996 -0.4119 0.079 Uiso 1 1 calc R U . . .
H18F H 0.9642 0.2975 -0.2860 0.079 Uiso 1 1 calc R U . . .
C19B C 0.9464(7) 0.1706(6) -0.4498(6) 0.0481(17) Uani 1 1 d . . . . .
H19D H 0.8884 0.1371 -0.4671 0.072 Uiso 1 1 calc R U . . .
H19E H 0.9775 0.1200 -0.4076 0.072 Uiso 1 1 calc R U . . .
H19F H 1.0130 0.2029 -0.5187 0.072 Uiso 1 1 calc R U . . .
C1C C 0.4109(7) 1.0371(7) 0.8957(7) 0.0444(18) Uani 1 1 d . . . . .
C2C C 0.4506(6) 0.9395(6) 0.8569(6) 0.0446(15) Uani 1 1 d . . . . .
C3C C 0.5727(7) 0.9255(6) 0.7983(6) 0.0446(16) Uani 1 1 d . . . . .
H3C H 0.6302 0.9803 0.7775 0.054 Uiso 1 1 calc R U . . .
C4C C 0.6095(7) 0.8325(6) 0.7710(6) 0.0440(15) Uani 1 1 d . . . . .
C5C C 0.7402(9) 0.8208(7) 0.7156(8) 0.047(2) Uani 1 1 d . . . . .
C6C C 0.5939(9) 0.6728(8) 0.4720(8) 0.047(2) Uani 1 1 d . . . . .
C7C C 0.5066(7) 0.7274(6) 0.5559(6) 0.0463(16) Uani 1 1 d . . . . .
C8C C 0.4756(7) 0.8211(6) 0.5181(6) 0.0449(15) Uani 1 1 d . . . . .
H8C H 0.5101 0.8470 0.4408 0.054 Uiso 1 1 calc R U . . .
C9C C 0.3963(7) 0.8790(6) 0.5883(6) 0.0490(18) Uani 1 1 d . . . . .
C10C C 0.3716(7) 0.9809(6) 0.5385(6) 0.0511(19) Uani 1 1 d . . . . .
C11C C 0.0612(8) 0.5495(8) 0.7677(8) 0.046(2) Uani 1 1 d . . . . .
C12C C 0.1046(9) 0.6232(7) 0.8154(7) 0.046(2) Uani 1 1 d . . . . .
C13C C 0.0156(8) 0.6719(7) 0.8921(7) 0.045(2) Uani 1 1 d . . . . .
H13C H -0.0670 0.6532 0.9170 0.054 Uiso 1 1 calc R U . . .
C14C C 0.0509(9) 0.7482(8) 0.9311(8) 0.047(2) Uani 1 1 d . . . . .
C15C C -0.0476(9) 0.8062(7) 1.0023(8) 0.048(2) Uani 1 1 d . . . . .
C1D C 0.7949(7) 0.0274(6) 0.3700(6) 0.0495(18) Uani 1 1 d . . . . .
C2D C 0.7327(7) 0.0668(6) 0.2968(6) 0.0467(16) Uani 1 1 d . . . . .
C3D C 0.7098(7) -0.0017(6) 0.2401(6) 0.0442(15) Uani 1 1 d . . . . .
H3D H 0.7329 -0.0700 0.2476 0.053 Uiso 1 1 calc R U . . .
C4D C 0.6517(7) 0.0338(6) 0.1720(6) 0.0441(15) Uani 1 1 d . . . . .
C5D C 0.6198(8) -0.0458(7) 0.1200(7) 0.0459(19) Uani 1 1 d . . . . .
C6D C 0.2595(8) 0.1855(7) 0.2865(7) 0.044(2) Uani 1 1 d . . . . .
C7D C 0.3645(6) 0.2345(6) 0.2955(6) 0.0429(15) Uani 1 1 d . . . . .
C8D C 0.3443(7) 0.2520(6) 0.3984(6) 0.0438(15) Uani 1 1 d . . . . .
H8D H 0.2667 0.2370 0.4575 0.053 Uiso 1 1 calc R U . . .
C9D C 0.4344(7) 0.2908(6) 0.4172(6) 0.0455(16) Uani 1 1 d . . . . .
C10D C 0.3994(8) 0.3219(7) 0.5285(7) 0.043(2) Uani 1 1 d . . . . .
C11D C 0.9473(9) 0.4617(7) 0.2128(7) 0.0429(19) Uani 1 1 d . . . . .
C12D C 0.9020(8) 0.3831(7) 0.1670(7) 0.043(2) Uani 1 1 d . . . . .
C13D C 0.9824(9) 0.3179(7) 0.1105(7) 0.048(2) Uani 1 1 d . . . . .
H13D H 1.0589 0.3143 0.1123 0.058 Uiso 1 1 calc R U . . .
C14D C 0.9546(8) 0.2575(7) 0.0510(8) 0.045(2) Uani 1 1 d . . . . .
C15D C 1.0505(8) 0.1992(7) -0.0248(7) 0.0439(19) Uani 1 1 d . . . . .
Dy1 Dy 0.34338(2) 0.72230(2) 0.82539(2) 0.04305(9) Uani 1 1 d . . . . .
Dy2 Dy 0.65681(2) 0.27734(2) 0.17488(2) 0.04287(9) Uani 1 1 d . . . . .
F1C F 0.4974(4) 1.0925(3) 0.8938(3) 0.0486(10) Uani 1 1 d . . . . .
F2C F 0.3329(5) 1.0235(4) 0.9958(4) 0.0487(12) Uani 1 1 d . . . . .
F3C F 0.3673(5) 1.0958(4) 0.8394(4) 0.0497(11) Uani 1 1 d . . . . .
F4C F 0.7832(4) 0.7688(3) 0.7761(4) 0.0505(10) Uani 1 1 d . . . . .
F5C F 0.8059(4) 0.9026(4) 0.6723(4) 0.0512(11) Uani 1 1 d . . . . .
F6C F 0.7723(4) 0.7756(4) 0.6308(4) 0.0579(12) Uani 1 1 d . . . . .
F7C F 0.5391(4) 0.6056(3) 0.4500(3) 0.0496(10) Uani 1 1 d . . . . .
F8C F 0.6564(4) 0.7286(4) 0.3785(4) 0.0512(11) Uani 1 1 d . . . . .
F9C F 0.6694(4) 0.6236(3) 0.4995(3) 0.0485(10) Uani 1 1 d . . . . .
F10C F 0.2632(4) 1.0036(4) 0.5742(4) 0.0525(11) Uani 1 1 d . . . . .
F11C F 0.4240(4) 1.0551(3) 0.5562(3) 0.0531(11) Uani 1 1 d . . . . .
F12C F 0.4117(4) 0.9961(3) 0.4342(3) 0.0533(11) Uani 1 1 d . . . . .
F13C F -0.0315(4) 0.5705(4) 0.7510(4) 0.0486(11) Uani 1 1 d . . . . .
F14C F 0.0339(4) 0.4604(3) 0.8339(3) 0.0485(10) Uani 1 1 d . . . . .
F15C F 0.1402(4) 0.5278(3) 0.6777(3) 0.0481(10) Uani 1 1 d . . . . .
F16C F -0.0868(4) 0.7641(4) 1.1064(3) 0.0513(10) Uani 1 1 d . . . . .
F17C F -0.1407(4) 0.8102(3) 0.9829(3) 0.0484(10) Uani 1 1 d . . . . .
F18C F -0.0191(4) 0.8975(4) 0.9972(4) 0.0508(11) Uani 1 1 d . . . . .
F1D F 0.8234(4) -0.0636(3) 0.3683(4) 0.0503(10) Uani 1 1 d . . . . .
F2D F 0.8918(4) 0.0768(3) 0.3439(3) 0.0515(10) Uani 1 1 d . . . . .
F3D F 0.7328(4) 0.0333(4) 0.4708(4) 0.0498(10) Uani 1 1 d . . . . .
F4D F 0.6804(5) -0.0327(4) 0.0170(4) 0.0490(12) Uani 1 1 d . . . . .
F5D F 0.6301(5) -0.1350(4) 0.1611(4) 0.0486(11) Uani 1 1 d . . . . .
F6D F 0.5103(4) -0.0417(3) 0.1326(3) 0.0477(10) Uani 1 1 d . . . . .
F7D F 0.1957(4) 0.1191(4) 0.3682(4) 0.0505(11) Uani 1 1 d . . . . .
F8D F 0.1890(4) 0.2587(3) 0.2799(4) 0.0500(10) Uani 1 1 d . . . . .
F9D F 0.2871(4) 0.1518(3) 0.1982(3) 0.0496(10) Uani 1 1 d . . . . .
F10D F 0.3984(4) 0.4193(3) 0.5159(3) 0.0484(10) Uani 1 1 d . . . . .
F11D F 0.2968(4) 0.2827(4) 0.6007(4) 0.0559(12) Uani 1 1 d . . . . .
F12D F 0.4692(4) 0.2968(3) 0.5732(3) 0.0486(10) Uani 1 1 d . . . . .
F13D F 0.9822(4) 0.4185(4) 0.2852(4) 0.0498(11) Uani 1 1 d . . . . .
F14D F 1.0405(4) 0.5138(3) 0.1364(3) 0.0480(10) Uani 1 1 d . . . . .
F15D F 0.8728(4) 0.5235(3) 0.2534(4) 0.0483(10) Uani 1 1 d . . . . .
F16D F 1.1544(4) 0.2414(3) -0.0639(3) 0.0481(10) Uani 1 1 d . . . . .
F17D F 1.0536(4) 0.1117(4) 0.0308(4) 0.0505(11) Uani 1 1 d . . . . .
F18D F 1.0312(4) 0.1820(3) -0.1043(3) 0.0487(10) Uani 1 1 d . . . . .
N1A N 0.3735(7) 0.5363(6) 0.8836(6) 0.0440(17) Uani 1 1 d . . . . .
N2A N 0.2937(7) 0.6670(6) 1.0301(6) 0.0442(16) Uani 1 1 d . . . . .
N1B N 0.6212(7) 0.4584(6) 0.1206(6) 0.0430(16) Uani 1 1 d . . . . .
N2B N 0.6795(6) 0.3300(6) -0.0165(6) 0.0427(16) Uani 1 1 d . . . . .
O1C O 0.3685(6) 0.8755(5) 0.8755(5) 0.0435(13) Uani 1 1 d . . . . .
O2C O 0.5454(5) 0.7510(5) 0.7898(5) 0.0423(13) Uani 1 1 d . . . . .
O3C O 0.4643(6) 0.6845(5) 0.6525(5) 0.0463(15) Uani 1 1 d . . . . .
O4C O 0.3428(5) 0.8538(4) 0.6906(5) 0.0460(13) Uani 1 1 d . . . . .
O5C O 0.2127(5) 0.6299(5) 0.7909(5) 0.0434(14) Uani 1 1 d . . . . .
O6C O 0.1506(6) 0.7663(5) 0.9222(5) 0.0454(14) Uani 1 1 d . . . . .
O1D O 0.7079(5) 0.1565(4) 0.2966(4) 0.0457(13) Uani 1 1 d . . . . .
O2D O 0.6280(6) 0.1191(5) 0.1405(5) 0.0439(13) Uani 1 1 d . . . . .
O3D O 0.4523(6) 0.2548(5) 0.2086(5) 0.0454(14) Uani 1 1 d . . . . .
O4D O 0.5358(6) 0.3195(5) 0.3492(5) 0.0425(14) Uani 1 1 d . . . . .
O5D O 0.7914(6) 0.3792(5) 0.2005(5) 0.0449(14) Uani 1 1 d . . . . .
O6D O 0.8488(6) 0.2304(5) 0.0640(5) 0.0446(14) 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
C1A N1A 1.257(11) . ?
C1A C6A 1.474(14) . ?
C1A C2A 1.486(12) . ?
C2A C3A 1.286(13) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.409(12) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.349(13) . ?
C4A H4A 0.9500 . ?
C5A N1A 1.296(11) . ?
C5A H5A 0.9500 . ?
C6A N2A 1.347(12) . ?
C6A C7A 1.362(12) . ?
C7A C8A 1.327(11) . ?
C7A H7A 0.9500 . ?
C8A C9A 1.368(11) . ?
C8A C14A 1.557(10) . ?
C9A C10A 1.395(10) . ?
C9A C13A 1.476(10) . ?
C10A N2A 1.267(11) . ?
C10A H10A 0.9500 . ?
C13A C16A 1.538(11) . ?
C13A C17A 1.571(10) . ?
C13A H13A 1.0000 . ?
C14A C15A 1.505(11) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A C16A 1.506(10) . ?
C15A C17A 1.533(13) . ?
C15A H15A 1.0000 . ?
C16A C19A 1.505(11) . ?
C16A C18A 1.519(13) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C1B C2B 1.244(13) . ?
C1B N1B 1.446(12) . ?
C1B C6B 1.505(12) . ?
C2B C3B 1.424(13) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.277(13) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.416(13) . ?
C4B H4B 0.9500 . ?
C5B N1B 1.356(11) . ?
C5B H5B 0.9500 . ?
C6B N2B 1.313(12) . ?
C6B C7B 1.414(12) . ?
C7B C8B 1.357(11) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.366(11) . ?
C8B C14B 1.504(10) . ?
C9B C10B 1.342(10) . ?
C9B C13B 1.507(10) . ?
C10B N2B 1.404(11) . ?
C10B H10B 0.9500 . ?
C13B C16B 1.519(10) . ?
C13B C17B 1.558(12) . ?
C13B H13B 1.0000 . ?
C14B C15B 1.573(10) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B C16B 1.475(11) . ?
C15B C17B 1.539(11) . ?
C15B H15B 1.0000 . ?
C16B C18B 1.534(12) . ?
C16B C19B 1.561(10) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C1C F3C 1.261(9) . ?
C1C F2C 1.273(10) . ?
C1C F1C 1.302(10) . ?
C1C C2C 1.491(11) . ?
C2C O1C 1.253(10) . ?
C2C C3C 1.397(10) . ?
C3C C4C 1.374(10) . ?
C3C H3C 0.9500 . ?
C4C O2C 1.288(10) . ?
C4C C5C 1.478(12) . ?
C5C F4C 1.254(11) . ?
C5C F5C 1.270(10) . ?
C5C F6C 1.304(10) . ?
C6C F9C 1.266(11) . ?
C6C F8C 1.275(10) . ?
C6C F7C 1.286(11) . ?
C6C C7C 1.487(12) . ?
C7C O3C 1.219(9) . ?
C7C C8C 1.374(10) . ?
C8C C9C 1.379(10) . ?
C8C H8C 0.9500 . ?
C9C O4C 1.244(9) . ?
C9C C10C 1.493(9) . ?
C10C F10C 1.260(9) . ?
C10C F12C 1.264(8) . ?
C10C F11C 1.308(10) . ?
C11C F13C 1.266(11) . ?
C11C F15C 1.278(11) . ?
C11C F14C 1.313(10) . ?
C11C C12C 1.491(13) . ?
C12C O5C 1.228(11) . ?
C12C C13C 1.398(12) . ?
C13C C14C 1.386(14) . ?
C13C H13C 0.9500 . ?
C14C O6C 1.205(11) . ?
C14C C15C 1.496(13) . ?
C15C F18C 1.263(11) . ?
C15C F17C 1.275(11) . ?
C15C F16C 1.302(10) . ?
C1D F2D 1.259(10) . ?
C1D F1D 1.260(9) . ?
C1D F3D 1.272(9) . ?
C1D C2D 1.508(10) . ?
C2D O1D 1.231(9) . ?
C2D C3D 1.400(11) . ?
C3D C4D 1.402(10) . ?
C3D H3D 0.9500 . ?
C4D O2D 1.217(9) . ?
C4D C5D 1.521(11) . ?
C5D F5D 1.251(10) . ?
C5D F4D 1.257(10) . ?
C5D F6D 1.283(10) . ?
C6D F9D 1.263(9) . ?
C6D F7D 1.259(9) . ?
C6D F8D 1.307(11) . ?
C6D C7D 1.522(11) . ?
C7D O3D 1.208(9) . ?
C7D C8D 1.374(10) . ?
C8D C9D 1.369(11) . ?
C8D H8D 0.9500 . ?
C9D O4D 1.217(9) . ?
C9D C10D 1.519(11) . ?
C10D F12D 1.250(10) . ?
C10D F11D 1.280(10) . ?
C10D F10D 1.285(10) . ?
C11D F15D 1.236(11) . ?
C11D F13D 1.272(10) . ?
C11D F14D 1.288(10) . ?
C11D C12D 1.535(12) . ?
C12D O5D 1.238(10) . ?
C12D C13D 1.372(14) . ?
C13D C14D 1.379(13) . ?
C13D H13D 0.9500 . ?
C14D O6D 1.289(11) . ?
C14D C15D 1.508(12) . ?
C15D F18D 1.257(10) . ?
C15D F16D 1.262(10) . ?
C15D F17D 1.283(10) . ?
Dy1 O6C 2.296(6) . ?
Dy1 O5C 2.296(7) . ?
Dy1 O4C 2.300(6) . ?
Dy1 O3C 2.328(6) . ?
Dy1 O1C 2.341(6) . ?
Dy1 O2C 2.348(6) . ?
Dy1 N1A 2.540(8) . ?
Dy1 N2A 2.546(7) . ?
Dy2 O2D 2.318(6) . ?
Dy2 O5D 2.344(6) . ?
Dy2 O6D 2.345(6) . ?
Dy2 O1D 2.363(6) . ?
Dy2 O4D 2.366(6) . ?
Dy2 O3D 2.374(7) . ?
Dy2 N2B 2.459(7) . ?
Dy2 N1B 2.487(8) . ?

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
N1A C1A C6A 122.2(9) . . ?
N1A C1A C2A 119.1(8) . . ?
C6A C1A C2A 118.3(8) . . ?
C3A C2A C1A 121.4(8) . . ?
C3A C2A H2A 119.3 . . ?
C1A C2A H2A 119.3 . . ?
C2A C3A C4A 116.5(8) . . ?
C2A C3A H3A 121.8 . . ?
C4A C3A H3A 121.8 . . ?
C5A C4A C3A 118.3(9) . . ?
C5A C4A H4A 120.8 . . ?
C3A C4A H4A 120.8 . . ?
N1A C5A C4A 125.0(9) . . ?
N1A C5A H5A 117.5 . . ?
C4A C5A H5A 117.5 . . ?
N2A C6A C7A 116.8(9) . . ?
N2A C6A C1A 115.9(8) . . ?
C7A C6A C1A 126.6(9) . . ?
C8A C7A C6A 124.0(9) . . ?
C8A C7A H7A 118.0 . . ?
C6A C7A H7A 118.0 . . ?
C7A C8A C9A 117.9(7) . . ?
C7A C8A C14A 124.8(7) . . ?
C9A C8A C14A 117.0(7) . . ?
C8A C9A C10A 116.7(7) . . ?
C8A C9A C13A 118.0(6) . . ?
C10A C9A C13A 125.2(7) . . ?
N2A C10A C9A 123.3(8) . . ?
N2A C10A H10A 118.3 . . ?
C9A C10A H10A 118.3 . . ?
C9A C13A C16A 113.3(7) . . ?
C9A C13A C17A 111.0(6) . . ?
C16A C13A C17A 84.0(6) . . ?
C9A C13A H13A 114.9 . . ?
C16A C13A H13A 114.9 . . ?
C17A C13A H13A 114.9 . . ?
C15A C14A C8A 107.8(6) . . ?
C15A C14A H14A 110.2 . . ?
C8A C14A H14A 110.2 . . ?
C15A C14A H14B 110.2 . . ?
C8A C14A H14B 110.2 . . ?
H14A C14A H14B 108.5 . . ?
C14A C15A C16A 116.8(6) . . ?
C14A C15A C17A 115.2(6) . . ?
C16A C15A C17A 86.4(6) . . ?
C14A C15A H15A 112.0 . . ?
C16A C15A H15A 112.0 . . ?
C17A C15A H15A 112.0 . . ?
C19A C16A C15A 117.0(7) . . ?
C19A C16A C18A 111.2(7) . . ?
C15A C16A C18A 114.5(8) . . ?
C19A C16A C13A 114.8(8) . . ?
C15A C16A C13A 84.6(6) . . ?
C18A C16A C13A 112.5(6) . . ?
C15A C17A C13A 82.6(6) . . ?
C15A C17A H17A 114.9 . . ?
C13A C17A H17A 114.9 . . ?
C15A C17A H17B 114.9 . . ?
C13A C17A H17B 114.9 . . ?
H17A C17A H17B 111.9 . . ?
C16A C18A H18A 109.5 . . ?
C16A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C16A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C16A C19A H19A 109.5 . . ?
C16A C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C16A C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C2B C1B N1B 119.7(9) . . ?
C2B C1B C6B 130.4(9) . . ?
N1B C1B C6B 109.9(8) . . ?
C1B C2B C3B 120.9(9) . . ?
C1B C2B H2B 119.5 . . ?
C3B C2B H2B 119.5 . . ?
C4B C3B C2B 122.6(10) . . ?
C4B C3B H3B 118.7 . . ?
C2B C3B H3B 118.7 . . ?
C3B C4B C5B 118.0(9) . . ?
C3B C4B H4B 121.0 . . ?
C5B C4B H4B 121.0 . . ?
N1B C5B C4B 119.9(8) . . ?
N1B C5B H5B 120.1 . . ?
C4B C5B H5B 120.1 . . ?
N2B C6B C7B 123.7(8) . . ?
N2B C6B C1B 118.2(8) . . ?
C7B C6B C1B 118.2(8) . . ?
C8B C7B C6B 118.2(8) . . ?
C8B C7B H7B 120.9 . . ?
C6B C7B H7B 120.9 . . ?
C7B C8B C9B 119.6(7) . . ?
C7B C8B C14B 120.9(7) . . ?
C9B C8B C14B 119.5(6) . . ?
C10B C9B C8B 120.1(7) . . ?
C10B C9B C13B 122.7(7) . . ?
C8B C9B C13B 117.2(7) . . ?
C9B C10B N2B 122.7(8) . . ?
C9B C10B H10B 118.6 . . ?
N2B C10B H10B 118.6 . . ?
C9B C13B C16B 111.1(6) . . ?
C9B C13B C17B 109.8(7) . . ?
C16B C13B C17B 84.3(6) . . ?
C9B C13B H13B 115.9 . . ?
C16B C13B H13B 115.9 . . ?
C17B C13B H13B 115.9 . . ?
C8B C14B C15B 107.8(6) . . ?
C8B C14B H14C 110.1 . . ?
C15B C14B H14C 110.1 . . ?
C8B C14B H14D 110.1 . . ?
C15B C14B H14D 110.1 . . ?
H14C C14B H14D 108.5 . . ?
C16B C15B C17B 86.5(7) . . ?
C16B C15B C14B 115.0(7) . . ?
C17B C15B C14B 111.3(6) . . ?
C16B C15B H15B 113.7 . . ?
C17B C15B H15B 113.7 . . ?
C14B C15B H15B 113.7 . . ?
C15B C16B C13B 87.1(6) . . ?
C15B C16B C18B 116.4(7) . . ?
C13B C16B C18B 113.3(6) . . ?
C15B C16B C19B 115.3(7) . . ?
C13B C16B C19B 112.6(7) . . ?
C18B C16B C19B 110.4(7) . . ?
C15B C17B C13B 83.6(6) . . ?
C15B C17B H17C 114.7 . . ?
C13B C17B H17C 114.7 . . ?
C15B C17B H17D 114.7 . . ?
C13B C17B H17D 114.7 . . ?
H17C C17B H17D 111.8 . . ?
C16B C18B H18D 109.5 . . ?
C16B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C16B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C16B C19B H19D 109.5 . . ?
C16B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C16B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
F3C C1C F2C 106.8(7) . . ?
F3C C1C F1C 103.9(7) . . ?
F2C C1C F1C 104.5(7) . . ?
F3C C1C C2C 114.9(7) . . ?
F2C C1C C2C 112.4(7) . . ?
F1C C1C C2C 113.4(7) . . ?
O1C C2C C3C 123.8(7) . . ?
O1C C2C C1C 115.9(7) . . ?
C3C C2C C1C 120.2(7) . . ?
C4C C3C C2C 119.9(7) . . ?
C4C C3C H3C 120.0 . . ?
C2C C3C H3C 120.0 . . ?
O2C C4C C3C 128.9(7) . . ?
O2C C4C C5C 113.8(7) . . ?
C3C C4C C5C 117.3(7) . . ?
F4C C5C F5C 105.8(7) . . ?
F4C C5C F6C 103.9(9) . . ?
F5C C5C F6C 101.2(7) . . ?
F4C C5C C4C 114.5(7) . . ?
F5C C5C C4C 116.1(8) . . ?
F6C C5C C4C 113.8(7) . . ?
F9C C6C F8C 105.1(8) . . ?
F9C C6C F7C 104.2(8) . . ?
F8C C6C F7C 104.7(8) . . ?
F9C C6C C7C 116.0(8) . . ?
F8C C6C C7C 115.0(8) . . ?
F7C C6C C7C 110.7(8) . . ?
O3C C7C C8C 124.7(7) . . ?
O3C C7C C6C 117.9(7) . . ?
C8C C7C C6C 117.3(7) . . ?
C7C C8C C9C 122.4(7) . . ?
C7C C8C H8C 118.8 . . ?
C9C C8C H8C 118.8 . . ?
O4C C9C C8C 125.6(7) . . ?
O4C C9C C10C 116.5(7) . . ?
C8C C9C C10C 117.9(6) . . ?
F10C C10C F12C 106.4(6) . . ?
F10C C10C F11C 103.0(7) . . ?
F12C C10C F11C 103.3(6) . . ?
F10C C10C C9C 116.4(6) . . ?
F12C C10C C9C 114.0(7) . . ?
F11C C10C C9C 112.3(7) . . ?
F13C C11C F15C 106.3(7) . . ?
F13C C11C F14C 104.9(7) . . ?
F15C C11C F14C 102.0(8) . . ?
F13C C11C C12C 117.4(9) . . ?
F15C C11C C12C 114.7(7) . . ?
F14C C11C C12C 110.0(7) . . ?
O5C C12C C13C 125.9(9) . . ?
O5C C12C C11C 117.9(8) . . ?
C13C C12C C11C 115.9(9) . . ?
C14C C13C C12C 118.4(9) . . ?
C14C C13C H13C 120.8 . . ?
C12C C13C H13C 120.8 . . ?
O6C C14C C13C 126.9(9) . . ?
O6C C14C C15C 116.6(9) . . ?
C13C C14C C15C 116.1(9) . . ?
F18C C15C F17C 105.0(8) . . ?
F18C C15C F16C 105.4(8) . . ?
F17C C15C F16C 104.6(8) . . ?
F18C C15C C14C 115.3(8) . . ?
F17C C15C C14C 114.4(8) . . ?
F16C C15C C14C 111.2(8) . . ?
F2D C1D F1D 104.8(6) . . ?
F2D C1D F3D 104.3(7) . . ?
F1D C1D F3D 106.7(6) . . ?
F2D C1D C2D 113.0(6) . . ?
F1D C1D C2D 114.3(7) . . ?
F3D C1D C2D 113.0(6) . . ?
O1D C2D C3D 129.0(7) . . ?
O1D C2D C1D 113.9(7) . . ?
C3D C2D C1D 117.1(7) . . ?
C2D C3D C4D 117.7(7) . . ?
C2D C3D H3D 121.1 . . ?
C4D C3D H3D 121.1 . . ?
O2D C4D C3D 131.6(7) . . ?
O2D C4D C5D 112.7(7) . . ?
C3D C4D C5D 115.5(7) . . ?
F5D C5D F4D 108.5(8) . . ?
F5D C5D F6D 105.7(7) . . ?
F4D C5D F6D 104.4(7) . . ?
F5D C5D C4D 113.4(7) . . ?
F4D C5D C4D 112.7(7) . . ?
F6D C5D C4D 111.5(7) . . ?
F9D C6D F7D 109.7(7) . . ?
F9D C6D F8D 103.7(7) . . ?
F7D C6D F8D 106.1(7) . . ?
F9D C6D C7D 114.5(7) . . ?
F7D C6D C7D 115.7(7) . . ?
F8D C6D C7D 105.9(7) . . ?
O3D C7D C8D 130.1(8) . . ?
O3D C7D C6D 113.7(7) . . ?
C8D C7D C6D 116.2(6) . . ?
C9D C8D C7D 121.0(7) . . ?
C9D C8D H8D 119.5 . . ?
C7D C8D H8D 119.5 . . ?
O4D C9D C8D 127.2(7) . . ?
O4D C9D C10D 114.5(7) . . ?
C8D C9D C10D 117.1(7) . . ?
F12D C10D F11D 104.4(7) . . ?
F12D C10D F10D 105.7(8) . . ?
F11D C10D F10D 109.5(7) . . ?
F12D C10D C9D 115.1(7) . . ?
F11D C10D C9D 112.6(8) . . ?
F10D C10D C9D 109.2(7) . . ?
F15D C11D F13D 108.4(7) . . ?
F15D C11D F14D 106.6(7) . . ?
F13D C11D F14D 104.9(8) . . ?
F15D C11D C12D 114.2(8) . . ?
F13D C11D C12D 111.2(8) . . ?
F14D C11D C12D 111.1(7) . . ?
O5D C12D C13D 128.3(8) . . ?
O5D C12D C11D 112.7(8) . . ?
C13D C12D C11D 118.2(8) . . ?
C12D C13D C14D 121.5(9) . . ?
C12D C13D H13D 119.3 . . ?
C14D C13D H13D 119.3 . . ?
O6D C14D C13D 126.9(9) . . ?
O6D C14D C15D 111.8(8) . . ?
C13D C14D C15D 120.3(9) . . ?
F18D C15D F16D 107.8(7) . . ?
F18D C15D F17D 105.8(8) . . ?
F16D C15D F17D 106.8(7) . . ?
F18D C15D C14D 113.9(8) . . ?
F16D C15D C14D 113.4(8) . . ?
F17D C15D C14D 108.6(7) . . ?
O6C Dy1 O5C 70.6(2) . . ?
O6C Dy1 O4C 83.7(2) . . ?
O5C Dy1 O4C 88.9(2) . . ?
O6C Dy1 O3C 139.3(2) . . ?
O5C Dy1 O3C 77.4(2) . . ?
O4C Dy1 O3C 71.0(2) . . ?
O6C Dy1 O1C 76.1(2) . . ?
O5C Dy1 O1C 143.0(2) . . ?
O4C Dy1 O1C 71.7(2) . . ?
O3C Dy1 O1C 122.2(2) . . ?
O6C Dy1 O2C 144.4(2) . . ?
O5C Dy1 O2C 145.0(2) . . ?
O4C Dy1 O2C 95.5(2) . . ?
O3C Dy1 O2C 71.4(2) . . ?
O1C Dy1 O2C 70.0(2) . . ?
O6C Dy1 N1A 112.5(2) . . ?
O5C Dy1 N1A 73.6(2) . . ?
O4C Dy1 N1A 149.4(2) . . ?
O3C Dy1 N1A 80.6(2) . . ?
O1C Dy1 N1A 135.9(2) . . ?
O2C Dy1 N1A 85.8(2) . . ?
O6C Dy1 N2A 73.0(2) . . ?
O5C Dy1 N2A 106.4(2) . . ?
O4C Dy1 N2A 145.3(2) . . ?
O3C Dy1 N2A 141.9(2) . . ?
O1C Dy1 N2A 77.8(2) . . ?
O2C Dy1 N2A 89.3(2) . . ?
N1A Dy1 N2A 65.1(2) . . ?
O2D Dy2 O5D 143.6(2) . . ?
O2D Dy2 O6D 74.4(2) . . ?
O5D Dy2 O6D 74.5(2) . . ?
O2D Dy2 O1D 73.5(2) . . ?
O5D Dy2 O1D 80.7(2) . . ?
O6D Dy2 O1D 75.4(2) . . ?
O2D Dy2 O4D 119.5(2) . . ?
O5D Dy2 O4D 78.1(2) . . ?
O6D Dy2 O4D 144.1(2) . . ?
O1D Dy2 O4D 77.6(2) . . ?
O2D Dy2 O3D 71.6(2) . . ?
O5D Dy2 O3D 143.4(2) . . ?
O6D Dy2 O3D 141.0(2) . . ?
O1D Dy2 O3D 111.7(2) . . ?
O4D Dy2 O3D 71.8(2) . . ?
O2D Dy2 N2B 81.4(2) . . ?
O5D Dy2 N2B 108.1(2) . . ?
O6D Dy2 N2B 74.8(2) . . ?
O1D Dy2 N2B 145.1(2) . . ?
O4D Dy2 N2B 136.7(2) . . ?
O3D Dy2 N2B 81.7(2) . . ?
O2D Dy2 N1B 139.3(2) . . ?
O5D Dy2 N1B 71.8(2) . . ?
O6D Dy2 N1B 113.4(2) . . ?
O1D Dy2 N1B 146.7(2) . . ?
O4D Dy2 N1B 78.6(2) . . ?
O3D Dy2 N1B 82.2(2) . . ?
N2B Dy2 N1B 64.1(2) . . ?
C1A N1A C5A 119.3(9) . . ?
C1A N1A Dy1 118.3(6) . . ?
C5A N1A Dy1 122.0(6) . . ?
C10A N2A C6A 121.1(8) . . ?
C10A N2A Dy1 120.4(6) . . ?
C6A N2A Dy1 118.2(6) . . ?
C5B N1B C1B 118.4(8) . . ?
C5B N1B Dy2 118.6(6) . . ?
C1B N1B Dy2 123.0(6) . . ?
C6B N2B C10B 115.8(7) . . ?
C6B N2B Dy2 124.5(6) . . ?
C10B N2B Dy2 119.5(5) . . ?
C2C O1C Dy1 139.4(5) . . ?
C4C O2C Dy1 132.5(5) . . ?
C7C O3C Dy1 138.1(6) . . ?
C9C O4C Dy1 137.3(5) . . ?
C12C O5C Dy1 138.4(6) . . ?
C14C O6C Dy1 138.4(6) . . ?
C2D O1D Dy2 132.3(5) . . ?
C4D O2D Dy2 133.1(5) . . ?
C7D O3D Dy2 129.4(6) . . ?
C9D O4D Dy2 132.0(5) . . ?
C12D O5D Dy2 133.2(6) . . ?
C14D O6D Dy2 132.2(6) . . ?

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
N1A C1A C2A C3A -0.6(14) . . . . ?
C6A C1A C2A C3A 172.2(9) . . . . ?
C1A C2A C3A C4A -2.6(14) . . . . ?
C2A C3A C4A C5A 1.5(13) . . . . ?
C3A C4A C5A N1A 3.2(15) . . . . ?
N1A C1A C6A N2A -4.3(13) . . . . ?
C2A C1A C6A N2A -176.9(8) . . . . ?
N1A C1A C6A C7A 166.1(9) . . . . ?
C2A C1A C6A C7A -6.6(14) . . . . ?
N2A C6A C7A C8A -1.7(14) . . . . ?
C1A C6A C7A C8A -171.9(9) . . . . ?
C6A C7A C8A C9A 1.9(13) . . . . ?
C6A C7A C8A C14A 175.8(8) . . . . ?
C7A C8A C9A C10A -3.3(11) . . . . ?
C14A C8A C9A C10A -177.7(7) . . . . ?
C7A C8A C9A C13A 173.7(7) . . . . ?
C14A C8A C9A C13A -0.7(10) . . . . ?
C8A C9A C10A N2A 5.0(13) . . . . ?
C13A C9A C10A N2A -171.8(8) . . . . ?
C8A C9A C13A C16A 45.5(9) . . . . ?
C10A C9A C13A C16A -137.8(8) . . . . ?
C8A C9A C13A C17A -47.0(10) . . . . ?
C10A C9A C13A C17A 129.7(9) . . . . ?
C7A C8A C14A C15A -172.8(8) . . . . ?
C9A C8A C14A C15A 1.1(9) . . . . ?
C8A C14A C15A C16A -49.8(9) . . . . ?
C8A C14A C15A C17A 49.4(8) . . . . ?
C14A C15A C16A C19A -163.8(7) . . . . ?
C17A C15A C16A C19A 79.7(8) . . . . ?
C14A C15A C16A C18A -31.2(10) . . . . ?
C17A C15A C16A C18A -147.7(7) . . . . ?
C14A C15A C16A C13A 81.1(8) . . . . ?
C17A C15A C16A C13A -35.4(6) . . . . ?
C9A C13A C16A C19A 167.1(6) . . . . ?
C17A C13A C16A C19A -82.6(7) . . . . ?
C9A C13A C16A C15A -75.7(7) . . . . ?
C17A C13A C16A C15A 34.6(6) . . . . ?
C9A C13A C16A C18A 38.6(9) . . . . ?
C17A C13A C16A C18A 148.9(7) . . . . ?
C14A C15A C17A C13A -83.2(7) . . . . ?
C16A C15A C17A C13A 34.7(5) . . . . ?
C9A C13A C17A C15A 78.6(7) . . . . ?
C16A C13A C17A C15A -34.1(6) . . . . ?
N1B C1B C2B C3B 4.3(14) . . . . ?
C6B C1B C2B C3B -176.7(9) . . . . ?
C1B C2B C3B C4B -4.7(16) . . . . ?
C2B C3B C4B C5B -1.3(15) . . . . ?
C3B C4B C5B N1B 7.3(15) . . . . ?
C2B C1B C6B N2B -175.4(10) . . . . ?
N1B C1B C6B N2B 3.7(12) . . . . ?
C2B C1B C6B C7B 3.8(15) . . . . ?
N1B C1B C6B C7B -177.1(7) . . . . ?
N2B C6B C7B C8B -0.7(13) . . . . ?
C1B C6B C7B C8B -179.9(8) . . . . ?
C6B C7B C8B C9B 1.3(12) . . . . ?
C6B C7B C8B C14B 178.5(7) . . . . ?
C7B C8B C9B C10B -0.8(12) . . . . ?
C14B C8B C9B C10B -178.0(7) . . . . ?
C7B C8B C9B C13B -178.5(7) . . . . ?
C14B C8B C9B C13B 4.2(11) . . . . ?
C8B C9B C10B N2B -0.5(12) . . . . ?
C13B C9B C10B N2B 177.1(7) . . . . ?
C10B C9B C13B C16B -134.7(8) . . . . ?
C8B C9B C13B C16B 43.0(10) . . . . ?
C10B C9B C13B C17B 133.9(8) . . . . ?
C8B C9B C13B C17B -48.5(9) . . . . ?
C7B C8B C14B C15B 177.6(7) . . . . ?
C9B C8B C14B C15B -5.1(10) . . . . ?
C8B C14B C15B C16B -43.7(9) . . . . ?
C8B C14B C15B C17B 52.5(9) . . . . ?
C17B C15B C16B C13B -32.4(5) . . . . ?
C14B C15B C16B C13B 79.5(7) . . . . ?
C17B C15B C16B C18B -147.0(7) . . . . ?
C14B C15B C16B C18B -35.1(9) . . . . ?
C17B C15B C16B C19B 81.3(7) . . . . ?
C14B C15B C16B C19B -166.8(6) . . . . ?
C9B C13B C16B C15B -77.0(7) . . . . ?
C17B C13B C16B C15B 32.0(6) . . . . ?
C9B C13B C16B C18B 40.6(10) . . . . ?
C17B C13B C16B C18B 149.7(7) . . . . ?
C9B C13B C16B C19B 166.8(7) . . . . ?
C17B C13B C16B C19B -84.2(8) . . . . ?
C16B C15B C17B C13B 31.7(6) . . . . ?
C14B C15B C17B C13B -83.9(7) . . . . ?
C9B C13B C17B C15B 79.6(7) . . . . ?
C16B C13B C17B C15B -30.7(5) . . . . ?
F3C C1C C2C O1C -73.1(9) . . . . ?
F2C C1C C2C O1C 49.4(10) . . . . ?
F1C C1C C2C O1C 167.6(7) . . . . ?
F3C C1C C2C C3C 103.6(9) . . . . ?
F2C C1C C2C C3C -133.9(8) . . . . ?
F1C C1C C2C C3C -15.7(11) . . . . ?
O1C C2C C3C C4C -9.1(12) . . . . ?
C1C C2C C3C C4C 174.5(7) . . . . ?
C2C C3C C4C O2C 1.7(12) . . . . ?
C2C C3C C4C C5C -176.1(7) . . . . ?
O2C C4C C5C F4C -72.1(10) . . . . ?
C3C C4C C5C F4C 106.0(9) . . . . ?
O2C C4C C5C F5C 164.1(7) . . . . ?
C3C C4C C5C F5C -17.8(11) . . . . ?
O2C C4C C5C F6C 47.2(10) . . . . ?
C3C C4C C5C F6C -134.7(8) . . . . ?
F9C C6C C7C O3C -40.5(12) . . . . ?
F8C C6C C7C O3C -163.7(8) . . . . ?
F7C C6C C7C O3C 77.8(11) . . . . ?
F9C C6C C7C C8C 142.2(8) . . . . ?
F8C C6C C7C C8C 19.0(13) . . . . ?
F7C C6C C7C C8C -99.4(9) . . . . ?
O3C C7C C8C C9C 3.4(14) . . . . ?
C6C C7C C8C C9C -179.5(8) . . . . ?
C7C C8C C9C O4C -1.5(14) . . . . ?
C7C C8C C9C C10C 178.4(8) . . . . ?
O4C C9C C10C F10C -44.4(12) . . . . ?
C8C C9C C10C F10C 135.8(8) . . . . ?
O4C C9C C10C F12C -168.9(8) . . . . ?
C8C C9C C10C F12C 11.2(12) . . . . ?
O4C C9C C10C F11C 74.1(9) . . . . ?
C8C C9C C10C F11C -105.8(9) . . . . ?
F13C C11C C12C O5C -150.2(8) . . . . ?
F15C C11C C12C O5C -24.2(13) . . . . ?
F14C C11C C12C O5C 90.1(10) . . . . ?
F13C C11C C12C C13C 35.3(12) . . . . ?
F15C C11C C12C C13C 161.3(8) . . . . ?
F14C C11C C12C C13C -84.5(10) . . . . ?
O5C C12C C13C C14C 12.1(15) . . . . ?
C11C C12C C13C C14C -173.9(9) . . . . ?
C12C C13C C14C O6C -14.5(16) . . . . ?
C12C C13C C14C C15C 173.0(8) . . . . ?
O6C C14C C15C F18C 36.9(13) . . . . ?
C13C C14C C15C F18C -149.8(9) . . . . ?
O6C C14C C15C F17C 158.8(8) . . . . ?
C13C C14C C15C F17C -27.8(12) . . . . ?
O6C C14C C15C F16C -83.0(11) . . . . ?
C13C C14C C15C F16C 90.3(11) . . . . ?
F2D C1D C2D O1D -58.5(9) . . . . ?
F1D C1D C2D O1D -178.2(7) . . . . ?
F3D C1D C2D O1D 59.5(10) . . . . ?
F2D C1D C2D C3D 122.1(8) . . . . ?
F1D C1D C2D C3D 2.5(10) . . . . ?
F3D C1D C2D C3D -119.8(8) . . . . ?
O1D C2D C3D C4D 0.6(12) . . . . ?
C1D C2D C3D C4D 179.8(6) . . . . ?
C2D C3D C4D O2D 10.2(12) . . . . ?
C2D C3D C4D C5D -175.2(7) . . . . ?
O2D C4D C5D F5D -171.9(7) . . . . ?
C3D C4D C5D F5D 12.4(10) . . . . ?
O2D C4D C5D F4D 64.3(10) . . . . ?
C3D C4D C5D F4D -111.4(8) . . . . ?
O2D C4D C5D F6D -52.8(9) . . . . ?
C3D C4D C5D F6D 131.5(7) . . . . ?
F9D C6D C7D O3D 15.7(11) . . . . ?
F7D C6D C7D O3D 144.9(8) . . . . ?
F8D C6D C7D O3D -97.9(8) . . . . ?
F9D C6D C7D C8D -166.4(7) . . . . ?
F7D C6D C7D C8D -37.3(11) . . . . ?
F8D C6D C7D C8D 80.0(8) . . . . ?
O3D C7D C8D C9D -6.1(13) . . . . ?
C6D C7D C8D C9D 176.5(7) . . . . ?
C7D C8D C9D O4D 4.8(13) . . . . ?
C7D C8D C9D C10D 171.3(7) . . . . ?
O4D C9D C10D F12D -54.6(11) . . . . ?
C8D C9D C10D F12D 137.3(8) . . . . ?
O4D C9D C10D F11D -174.0(7) . . . . ?
C8D C9D C10D F11D 17.8(11) . . . . ?
O4D C9D C10D F10D 64.1(10) . . . . ?
C8D C9D C10D F10D -104.0(9) . . . . ?
F15D C11D C12D O5D -15.8(12) . . . . ?
F13D C11D C12D O5D 107.2(10) . . . . ?
F14D C11D C12D O5D -136.3(8) . . . . ?
F15D C11D C12D C13D 173.6(8) . . . . ?
F13D C11D C12D C13D -63.4(11) . . . . ?
F14D C11D C12D C13D 53.0(12) . . . . ?
O5D C12D C13D C14D 22.3(16) . . . . ?
C11D C12D C13D C14D -168.7(8) . . . . ?
C12D C13D C14D O6D -21.7(15) . . . . ?
C12D C13D C14D C15D 170.3(8) . . . . ?
O6D C14D C15D F18D 37.5(11) . . . . ?
C13D C14D C15D F18D -152.7(9) . . . . ?
O6D C14D C15D F16D 161.4(7) . . . . ?
C13D C14D C15D F16D -28.9(12) . . . . ?
O6D C14D C15D F17D -80.0(10) . . . . ?
C13D C14D C15D F17D 89.7(10) . . . . ?
C6A C1A N1A C5A -167.4(8) . . . . ?
C2A C1A N1A C5A 5.2(13) . . . . ?
C6A C1A N1A Dy1 6.0(11) . . . . ?
C2A C1A N1A Dy1 178.6(6) . . . . ?
C4A C5A N1A C1A -6.7(15) . . . . ?
C4A C5A N1A Dy1 -179.8(7) . . . . ?
C9A C10A N2A C6A -4.9(14) . . . . ?
C9A C10A N2A Dy1 169.1(6) . . . . ?
C7A C6A N2A C10A 3.1(13) . . . . ?
C1A C6A N2A C10A 174.4(8) . . . . ?
C7A C6A N2A Dy1 -171.1(6) . . . . ?
C1A C6A N2A Dy1 0.2(10) . . . . ?
C4B C5B N1B C1B -7.5(13) . . . . ?
C4B C5B N1B Dy2 173.9(7) . . . . ?
C2B C1B N1B C5B 1.7(13) . . . . ?
C6B C1B N1B C5B -177.5(8) . . . . ?
C2B C1B N1B Dy2 -179.8(7) . . . . ?
C6B C1B N1B Dy2 0.9(10) . . . . ?
C7B C6B N2B C10B -0.5(12) . . . . ?
C1B C6B N2B C10B 178.7(8) . . . . ?
C7B C6B N2B Dy2 173.8(6) . . . . ?
C1B C6B N2B Dy2 -7.0(11) . . . . ?
C9B C10B N2B C6B 1.1(12) . . . . ?
C9B C10B N2B Dy2 -173.5(6) . . . . ?
C3C C2C O1C Dy1 -8.3(13) . . . . ?
C1C C2C O1C Dy1 168.3(6) . . . . ?
C3C C4C O2C Dy1 22.2(12) . . . . ?
C5C C4C O2C Dy1 -160.0(6) . . . . ?
C8C C7C O3C Dy1 -10.2(15) . . . . ?
C6C C7C O3C Dy1 172.7(6) . . . . ?
C8C C9C O4C Dy1 6.1(15) . . . . ?
C10C C9C O4C Dy1 -173.8(6) . . . . ?
C13C C12C O5C Dy1 -7.6(15) . . . . ?
C11C C12C O5C Dy1 178.4(6) . . . . ?
C13C C14C O6C Dy1 12.5(17) . . . . ?
C15C C14C O6C Dy1 -174.9(6) . . . . ?
C3D C2D O1D Dy2 -18.1(13) . . . . ?
C1D C2D O1D Dy2 162.7(5) . . . . ?
C3D C4D O2D Dy2 -2.1(13) . . . . ?
C5D C4D O2D Dy2 -176.9(5) . . . . ?
C8D C7D O3D Dy2 25.8(12) . . . . ?
C6D C7D O3D Dy2 -156.8(6) . . . . ?
C8D C9D O4D Dy2 -24.6(13) . . . . ?
C10D C9D O4D Dy2 168.6(6) . . . . ?
C13D C12D O5D Dy2 -7.7(15) . . . . ?
C11D C12D O5D Dy2 -177.2(6) . . . . ?
C13D C14D O6D Dy2 7.0(15) . . . . ?
C15D C14D O6D Dy2 175.9(5) . . . . ?

_refine_diff_density_max         1.022
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.059



