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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1424064'
_audit_update_record             
;
2015-12-18 deposited with the CCDC.
2015-12-30 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         ?
_chemical_formula_sum            'C67 H58 Dy2 F18 O19'
_chemical_formula_weight         1834.13

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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'
'-x, -y, -z'

_cell_length_a                   11.7570(4)
_cell_length_b                   18.3880(7)
_cell_length_c                   18.4659(7)
_cell_angle_alpha                82.140(3)
_cell_angle_beta                 72.251(2)
_cell_angle_gamma                72.692(2)
_cell_volume                     3625.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150
_cell_measurement_reflns_used    8571
_cell_measurement_theta_min      3.4320
_cell_measurement_theta_max      28.5940


_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_F_000             1812
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    2.160
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_T_max  0.772
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_reflns_number            22917
_diffrn_reflns_av_unetI/netI     0.0912
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.996
_diffrn_reflns_theta_max         26.310
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measured_fraction_theta_full 0.923
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_Laue_measured_fraction_full 0.923
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_point_group_measured_fraction_full 0.923
_reflns_number_total             13534
_reflns_number_gt                10862
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          


# The larger residue peak located close to Dy ion is supposed to be the ghost peak.
# isor 0.01 o13 O19 f16 f17 f18 f16' f17' f18' f10 f10' f11 f11' f12 f12'
# isor 0.005 c56 c64 c64'
# isor 0.01 o13 c18 o10 c42 c32 c17 c1 c60 c15 c66 c66' c67 c67' o18 o19 c65 c65'
# delu c65 c65' o16 o16' c64 c64' 0.01
# dfix c64 o1 c64' o1 1.45
# dfix c66 o18 c66' o18 1.35
# dfix c67 o19 c67' o19 1.35
# dfix c65 o16 c65' o16' 1.35
# dfix c65 o16 c67 o19 1.44
# omit 5 0 4
# omit -2 -8 1
# omit 1 10 1
# omit 5 -2 5
# omit 2 8 1
# omit 3 8 0
# eadp f10 f10'
# eadp f11 f11'
# eadp f12 f12'
# eadp c66 c66'
# eadp c64 c64'
# eadp c67 c67'
# eadp c65 c65'
# eadp o16 o16'
# eadp f16 f16'
# eadp f17 f17'
# eadp f18 f18'
# sadi f10 f11 f11 f12 f12 f10
# sadi f10' f11' f11' f12' f12' f10'
# sadi f17 f18 f18 f16 f16 f17
# sadi f17' f18' f18' f16' f16' f17'
# isor c39 0.01


;
 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       'CrysAlis PRO (Agilent, 2011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0025P)²+129.6669P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13534
_refine_ls_number_parameters     971
_refine_ls_number_restraints     196
_refine_ls_R_factor_all          0.1319
_refine_ls_R_factor_gt           0.1126
_refine_ls_wR_factor_ref         0.2385
_refine_ls_wR_factor_gt          0.2270
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_restrained_S_all      1.159
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Dy1 Dy -0.70270(6) 0.10713(4) 1.30933(4) 0.02816(19) Uani 1 1 d . . . . .
Dy2 Dy -0.22308(7) 0.37407(4) 0.71095(4) 0.0330(2) Uani 1 1 d . . . . .
O1 O -0.1091(17) 0.3773(9) 0.5728(8) 0.083(5) Uani 1 1 d D . . . .
H1A H -0.0680 0.4125 0.5780 0.100 Uiso 1 1 d R U . B .
O2 O -0.0968(9) 0.4617(6) 0.6962(7) 0.040(3) Uani 1 1 d . . . . .
H2A H -0.0375 0.4486 0.7222 0.049 Uiso 1 1 d R U . . .
O3 O -0.6046(10) -0.0254(6) 1.3502(6) 0.041(3) Uani 1 1 d . . . . .
H3B H -0.6530 -0.0580 1.3543 0.050 Uiso 1 1 d R U . . .
O4 O -0.3444(9) 0.4963(6) 0.6863(6) 0.033(2) Uani 1 1 d . . . . .
O5 O -0.8247(9) 0.0287(6) 1.2975(6) 0.031(2) Uani 1 1 d . . . . .
O6 O -0.0165(9) 0.2924(6) 0.7005(6) 0.040(3) Uani 1 1 d . . . . .
O7 O -0.9033(10) 0.1961(6) 1.3315(6) 0.037(3) Uani 1 1 d . . . . .
O8 O -0.3400(14) 0.3501(6) 0.6367(6) 0.054(4) Uani 1 1 d . . . . .
O9 O -0.1873(8) 0.3602(6) 0.8313(5) 0.030(2) Uani 1 1 d . . . . .
O10 O -0.5685(8) 0.1236(6) 1.3757(5) 0.025(2) Uani 1 1 d . U . . .
O11 O -0.4222(8) 0.3923(5) 0.8024(5) 0.026(2) Uani 1 1 d . . . . .
O12 O -0.7287(9) 0.1302(6) 1.1831(5) 0.028(2) Uani 1 1 d . . . . .
O13 O -0.6762(8) 0.2296(5) 1.2679(5) 0.024(2) Uani 1 1 d . U . . .
O14 O -0.5017(9) 0.0775(5) 1.2251(5) 0.027(2) Uani 1 1 d . . . . .
O15 O -0.2501(10) 0.2518(5) 0.7466(6) 0.032(2) Uani 1 1 d . . . . .
O17 O -0.8107(11) 0.0940(10) 1.4443(6) 0.071(5) Uani 1 1 d . . . . .
H17B H -0.8716 0.1324 1.4282 0.085 Uiso 1 1 d R U . . .
O18 O 0.1337(15) 0.4164(10) 0.7100(10) 0.084(5) Uani 1 1 d D U . . .
H18A H 0.1650 0.4459 0.6661 0.101 Uiso 1 1 d R U . C .
O19 O 0.8013(14) 0.0741(9) 0.5680(8) 0.073(4) Uani 1 1 d D U . . .
H19A H 0.8538 0.0255 0.5764 0.087 Uiso 1 1 d R U . D .
F1 F -0.3848(13) 0.0972(7) 1.4572(7) 0.074(4) Uani 1 1 d . . . . .
F2 F -0.3253(11) 0.1858(8) 1.3877(6) 0.073(4) Uani 1 1 d . . . . .
F3 F -0.5068(12) 0.2041(8) 1.4598(8) 0.088(5) Uani 1 1 d . . . . .
F4 F -1.1152(9) 0.3469(7) 1.2670(9) 0.087(5) Uani 1 1 d . . . . .
F5 F -1.1452(9) 0.2813(7) 1.3722(7) 0.061(3) Uani 1 1 d . . . . .
F6 F -1.1057(10) 0.2310(8) 1.2677(7) 0.073(4) Uani 1 1 d . . . . .
F7 F -0.9939(10) -0.0468(6) 1.2149(6) 0.057(3) Uani 1 1 d . . . . .
F8 F -0.9294(9) -0.0849(5) 1.3140(6) 0.050(3) Uani 1 1 d . . . . .
F9 F -1.0770(9) 0.0170(6) 1.3150(7) 0.064(3) Uani 1 1 d . . . . .
F10 F -0.535(3) 0.3998(19) 0.5829(19) 0.096(8) Uani 0.5 1 d D U P A 1
F11 F -0.590(2) 0.2931(15) 0.6149(17) 0.066(6) Uani 0.5 1 d D U P A 1
F12 F -0.416(4) 0.2962(17) 0.524(2) 0.087(7) Uani 0.5 1 d D U P A 1
F10' F -0.577(3) 0.3861(19) 0.6125(19) 0.096(8) Uani 0.5 1 d D U P A 2
F11' F -0.539(3) 0.2621(15) 0.6003(17) 0.066(6) Uani 0.5 1 d D U P A 2
F12' F -0.417(4) 0.3268(17) 0.522(2) 0.087(7) Uani 0.5 1 d D U P A 2
F13 F -0.6087(10) 0.6487(7) 0.6941(7) 0.079(4) Uani 1 1 d . . . . .
F14 F -0.4848(14) 0.5914(6) 0.5941(6) 0.078(4) Uani 1 1 d . . . . .
F15 F -0.4238(11) 0.6503(6) 0.6607(7) 0.066(3) Uani 1 1 d . . . . .
C1 C -0.9692(14) -0.0212(9) 1.2718(9) 0.033(3) Uani 1 1 d . U . . .
C2 C -0.6676(12) 0.3400(8) 1.1857(8) 0.024(3) Uani 1 1 d . . . . .
C3 C -0.7260(13) 0.4147(8) 1.1661(8) 0.030(3) Uani 1 1 d . . . . .
H3A H -0.8109 0.4343 1.1870 0.036 Uiso 1 1 calc R U . . .
C4 C -0.1159(13) 0.0930(10) 1.0541(9) 0.040(4) Uani 1 1 d . . . . .
H4A H -0.0325 0.0895 1.0460 0.048 Uiso 1 1 calc R U . . .
C5 C -0.0786(14) 0.2808(9) 0.9982(9) 0.039(4) Uani 1 1 d . . . . .
H5A H 0.0068 0.2675 0.9764 0.046 Uiso 1 1 calc R U . . .
C6 C -0.487(3) 0.3231(16) 0.5927(14) 0.086(9) Uani 1 1 d . . . . .
C7 C -0.8179(14) 0.4649(9) 0.9813(9) 0.036(4) Uani 1 1 d . . . . .
H7A H -0.8799 0.5035 1.0092 0.043 Uiso 1 1 calc R U . . .
C8 C -0.0890(17) 0.5283(11) 0.6462(11) 0.052(5) Uani 1 1 d . . . . .
H8A H -0.0298 0.5502 0.6548 0.077 Uiso 1 1 calc R U . . .
H8B H -0.0631 0.5142 0.5943 0.077 Uiso 1 1 calc R U . . .
H8C H -0.1688 0.5649 0.6562 0.077 Uiso 1 1 calc R U . . .
C9 C -0.4152(18) 0.2449(10) 0.7023(9) 0.046(5) Uani 1 1 d . . . . .
H9A H -0.4737 0.2186 0.7065 0.055 Uiso 1 1 calc R U . . .
C10 C -0.7550(12) 0.1367(8) 0.9347(8) 0.027(3) Uani 1 1 d . . . . .
H10A H -0.7545 0.1092 0.8959 0.033 Uiso 1 1 calc R U . . .
C11 C -0.2534(14) 0.2976(9) 1.1114(8) 0.031(3) Uani 1 1 d . . . . .
H11A H -0.2830 0.2928 1.1642 0.037 Uiso 1 1 calc R U . . .
C12 C -0.781(2) 0.0887(12) 1.5108(9) 0.055(5) Uani 1 1 d . . . . .
H12A H -0.8513 0.0841 1.5527 0.082 Uiso 1 1 calc R U . . .
H12B H -0.7125 0.0446 1.5115 0.082 Uiso 1 1 calc R U . . .
H12C H -0.7585 0.1336 1.5152 0.082 Uiso 1 1 calc R U . . .
C13 C -0.8666(12) 0.3023(9) 1.2468(9) 0.033(3) Uani 1 1 d . . . . .
H13A H -0.9056 0.3438 1.2200 0.040 Uiso 1 1 calc R U . . .
C14 C -0.4046(13) 0.0982(8) 1.2187(8) 0.024(3) Uani 1 1 d . . . . .
C15 C -0.7869(11) 0.1109(7) 1.1467(8) 0.021(3) Uani 1 1 d . U . . .
C16 C -0.1207(13) 0.3090(8) 0.8677(9) 0.030(3) Uani 1 1 d . . . . .
C17 C -0.8647(12) 0.0630(8) 1.1758(8) 0.025(3) Uani 1 1 d . U . . .
H17A H -0.9123 0.0569 1.1463 0.030 Uiso 1 1 calc R U . . .
C18 C -0.3800(13) 0.1258(8) 1.2792(8) 0.028(3) Uani 1 1 d . U . . .
H18B H -0.3058 0.1386 1.2695 0.034 Uiso 1 1 calc R U . . .
C19 C -0.2869(12) 0.1057(8) 1.0041(8) 0.025(3) Uani 1 1 d . . . . .
C20 C -1.0788(15) 0.2794(11) 1.3003(12) 0.047(5) Uani 1 1 d . . . . .
C21 C -0.4187(16) 0.1567(10) 1.4146(9) 0.038(4) Uani 1 1 d . . . . .
C22 C -0.3110(13) 0.1592(8) 0.8748(8) 0.028(3) Uani 1 1 d . . . . .
H22A H -0.2626 0.1912 0.8743 0.033 Uiso 1 1 calc R U . . .
C23 C -0.5395(12) 0.3107(7) 1.1536(8) 0.023(3) Uani 1 1 d . . . . .
H23A H -0.4998 0.2610 1.1666 0.027 Uiso 1 1 calc R U . . .
C24 C -0.5257(13) 0.4409(8) 0.8157(8) 0.025(3) Uani 1 1 d . . . . .
C25 C -0.1613(13) 0.0998(9) 0.9929(9) 0.032(3) Uani 1 1 d . . . . .
H25A H -0.1087 0.1005 0.9438 0.039 Uiso 1 1 calc R U . . .
C26 C -0.8182(15) 0.3899(10) 1.0000(9) 0.037(4) Uani 1 1 d . . . . .
H26A H -0.8807 0.3781 1.0407 0.044 Uiso 1 1 calc R U . . .
C27 C -0.5489(13) 0.5108(8) 0.7700(8) 0.028(3) Uani 1 1 d . . . . .
H27A H -0.6287 0.5436 0.7810 0.033 Uiso 1 1 calc R U . . .
C28 C -0.7248(14) 0.4826(8) 0.9206(9) 0.033(3) Uani 1 1 d . . . . .
H28A H -0.7267 0.5335 0.9070 0.039 Uiso 1 1 calc R U . . .
C29 C -0.6593(13) 0.4593(8) 1.1164(8) 0.029(3) Uani 1 1 d . . . . .
H29A H -0.6990 0.5093 1.1044 0.035 Uiso 1 1 calc R U . . .
C30 C -0.3557(13) 0.1624(8) 0.8124(8) 0.027(3) Uani 1 1 d . . . . .
C31 C -0.7783(12) 0.1065(8) 1.0087(8) 0.026(3) Uani 1 1 d . . . . .
H31A H -0.7974 0.0599 1.0188 0.031 Uiso 1 1 calc R U . . .
C32 C -0.4606(13) 0.1344(8) 1.3511(8) 0.028(3) Uani 1 1 d . U . . .
C33 C -0.4245(13) 0.1106(8) 0.8119(8) 0.029(3) Uani 1 1 d . . . . .
H33A H -0.4529 0.1110 0.7700 0.035 Uiso 1 1 calc R U . . .
C34 C -0.7353(11) 0.2512(8) 0.9756(7) 0.022(3) Uani 1 1 d . . . . .
C35 C -0.4495(13) 0.0600(8) 0.8728(8) 0.029(3) Uani 1 1 d . . . . .
H35A H -0.4935 0.0257 0.8721 0.035 Uiso 1 1 calc R U . . .
C36 C -0.4715(12) 0.3558(8) 1.1025(7) 0.022(3) Uani 1 1 d . . . . .
C37 C -0.3614(12) 0.1023(8) 1.0781(8) 0.025(3) Uani 1 1 d . . . . .
H37A H -0.4443 0.1043 1.0864 0.030 Uiso 1 1 calc R U . . .
C38 C -0.2887(12) 0.3325(7) 0.9888(8) 0.026(3) Uani 1 1 d . . . . .
H38A H -0.3438 0.3536 0.9597 0.031 Uiso 1 1 calc R U . . .
C39 C -0.6290(12) 0.4260(8) 0.8798(8) 0.025(3) Uani 1 1 d . U . . .
C40 C -0.4827(15) -0.0581(10) 1.3620(10) 0.044(4) Uani 1 1 d . . . . .
H40A H -0.4727 -0.1110 1.3778 0.066 Uiso 1 1 calc R U . . .
H40B H -0.4202 -0.0533 1.3153 0.066 Uiso 1 1 calc R U . . .
H40C H -0.4746 -0.0315 1.4006 0.066 Uiso 1 1 calc R U . . .
C41 C -0.7535(11) 0.2176(8) 1.0504(8) 0.027(3) Uani 1 1 d . . . . .
H41A H -0.7524 0.2425 1.0907 0.033 Uiso 1 1 calc R U . . .
C42 C -0.1624(12) 0.3076(8) 0.9510(7) 0.022(3) Uani 1 1 d . U . . .
C43 C -0.3158(12) 0.0961(8) 1.1403(8) 0.023(3) Uani 1 1 d . . . . .
C44 C -0.407(2) 0.3064(11) 0.6488(10) 0.053(5) Uani 1 1 d . . . . .
C45 C -0.4947(14) 0.6062(9) 0.6645(9) 0.033(3) Uani 1 1 d . . . . .
C46 C -0.6295(13) 0.3499(8) 0.8995(8) 0.026(3) Uani 1 1 d . . . . .
H46A H -0.5653 0.3110 0.8734 0.031 Uiso 1 1 calc R U . . .
C47 C -0.3360(12) 0.3275(8) 1.0668(8) 0.024(3) Uani 1 1 d . . . . .
C48 C -0.3365(12) 0.1097(8) 0.9377(8) 0.027(3) Uani 1 1 d . . . . .
C49 C -0.7269(13) 0.3321(8) 0.9590(8) 0.027(3) Uani 1 1 d . . . . .
C50 C -0.7346(12) 0.2866(8) 1.2378(8) 0.025(3) Uani 1 1 d . . . . .
C51 C -0.9352(13) 0.2563(10) 1.2948(9) 0.034(4) Uani 1 1 d . . . . .
C52 C -0.4588(13) 0.5310(8) 0.7115(8) 0.026(3) Uani 1 1 d . . . . .
C53 C -0.8748(12) 0.0242(8) 1.2463(8) 0.027(3) Uani 1 1 d . . . . .
C54 C -0.5342(13) 0.4310(8) 1.0841(8) 0.027(3) Uani 1 1 d . . . . .
H54A H -0.4903 0.4617 1.0496 0.032 Uiso 1 1 calc R U . . .
C55 C -0.3318(14) 0.2214(8) 0.7520(8) 0.029(3) Uani 1 1 d . . . . .
C56 C -0.7748(15) 0.1387(9) 1.0615(8) 0.035(3) Uani 1 1 d . U . . .
C57 C -0.7326(13) 0.2075(8) 0.9179(8) 0.028(3) Uani 1 1 d . . . . .
H57A H -0.7153 0.2266 0.8676 0.033 Uiso 1 1 calc R U . . .
C58 C -0.4080(13) 0.0608(8) 0.9352(8) 0.029(3) Uani 1 1 d . . . . .
H58A H -0.4279 0.0279 0.9771 0.035 Uiso 1 1 calc R U . . .
C59 C -0.1911(12) 0.0913(8) 1.1270(8) 0.030(3) Uani 1 1 d . . . . .
H59A H -0.1584 0.0870 1.1679 0.035 Uiso 1 1 calc R U . . .
C60 C -0.1273(13) 0.2753(9) 1.0758(8) 0.033(3) Uani 1 1 d . U . . .
H60A H -0.0732 0.2557 1.1057 0.040 Uiso 1 1 calc R U . . .
C61 C 0.1556(15) 0.1961(9) 0.7186(10) 0.037(4) Uani 1 1 d . . . . .
C62 C -0.0094(12) 0.2566(9) 0.8293(8) 0.029(3) Uani 1 1 d . . . . .
H62A H 0.0372 0.2225 0.8583 0.035 Uiso 1 1 calc R U . . .
C63 C 0.0329(13) 0.2536(8) 0.7516(9) 0.030(3) Uani 1 1 d . . . . .
C64 C -0.044(6) 0.304(2) 0.538(4) 0.139(19) Uiso 0.5 1 d D . P B 1
H64A H -0.0036 0.3119 0.4854 0.209 Uiso 0.5 1 calc R U P B 1
H64B H 0.0172 0.2756 0.5638 0.209 Uiso 0.5 1 calc R U P B 1
H64C H -0.1023 0.2750 0.5431 0.209 Uiso 0.5 1 calc R U P B 1
C64' C -0.178(6) 0.429(4) 0.519(3) 0.139(19) Uiso 0.5 1 d D . P B 2
H64D H -0.1247 0.4254 0.4683 0.209 Uiso 0.5 1 calc R U P B 2
H64E H -0.2505 0.4138 0.5223 0.209 Uiso 0.5 1 calc R U P B 2
H64F H -0.2021 0.4808 0.5341 0.209 Uiso 0.5 1 calc R U P B 2
C66 C 0.204(4) 0.409(3) 0.758(3) 0.085(11) Uani 0.5 1 d D U P C 1
H66A H 0.2890 0.3887 0.7303 0.127 Uiso 0.5 1 d R U P C 1
H66B H 0.1936 0.4584 0.7752 0.127 Uiso 0.5 1 d R U P C 1
H66C H 0.1802 0.3757 0.8005 0.127 Uiso 0.5 1 d R U P C 1
C66' C 0.108(5) 0.430(3) 0.7844(16) 0.085(11) Uani 0.5 1 d D U P C 2
H66D H 0.0225 0.4506 0.8111 0.127 Uiso 0.5 1 d R U P C 2
H66E H 0.1410 0.3824 0.8093 0.127 Uiso 0.5 1 d R U P C 2
H66F H 0.1543 0.4651 0.7841 0.127 Uiso 0.5 1 d R U P C 2
C67 C 0.865(5) 0.118(3) 0.509(2) 0.089(13) Uani 0.5 1 d D U P D 1
H67A H 0.9164 0.0867 0.4673 0.134 Uiso 0.5 1 d R U P D 1
H67B H 0.8046 0.1587 0.4927 0.134 Uiso 0.5 1 d R U P D 1
H67C H 0.9157 0.1379 0.5287 0.134 Uiso 0.5 1 d R U P D 1
C67' C 0.828(6) 0.142(2) 0.537(3) 0.089(13) Uani 0.5 1 d D U P D 2
H67D H 0.7817 0.1793 0.5745 0.134 Uiso 0.5 1 d R U P D 2
H67E H 0.9151 0.1367 0.5272 0.134 Uiso 0.5 1 d R U P D 2
H67F H 0.8040 0.1574 0.4912 0.134 Uiso 0.5 1 d R U P D 2
F17' F 0.1580(18) 0.1290(11) 0.7002(12) 0.049(4) Uani 0.5 1 d D U P E 1
F16' F 0.215(2) 0.2184(12) 0.6372(10) 0.060(4) Uani 0.5 1 d D U P E 1
F18' F 0.242(2) 0.1909(14) 0.7437(13) 0.071(5) Uani 0.5 1 d D U P E 1
F16 F 0.157(2) 0.1637(13) 0.6621(11) 0.060(4) Uani 0.5 1 d D U P E 2
F17 F 0.1884(17) 0.1386(11) 0.7713(11) 0.049(4) Uani 0.5 1 d D U P E 2
F18 F 0.249(2) 0.2294(14) 0.6993(14) 0.071(5) Uani 0.5 1 d D U P E 2
O16 O 0.163(3) 0.3845(19) 0.561(2) 0.085 Uiso 0.5 1 d D U P F 1
H16A H 0.1367 0.3702 0.6133 0.085 Uiso 0.5 1 d R U P F 1
C65 C 0.238(4) 0.325(2) 0.513(3) 0.085 Uiso 0.5 1 d D U P F 1
H65A H 0.3222 0.3180 0.5086 0.085 Uiso 0.5 1 d R U P F 1
H65B H 0.2157 0.2798 0.5345 0.085 Uiso 0.5 1 d R U P F 1
H65C H 0.2243 0.3361 0.4648 0.085 Uiso 0.5 1 d R U P F 1
C65' C 0.186(5) 0.299(3) 0.483(2) 0.085 Uiso 0.5 1 d D U P G 2
H65D H 0.2354 0.3190 0.4402 0.085 Uiso 0.5 1 d R U P G 2
H65E H 0.2354 0.2540 0.5018 0.085 Uiso 0.5 1 d R U P G 2
H65F H 0.1226 0.2866 0.4705 0.085 Uiso 0.5 1 d R U P G 2
O16' O 0.136(3) 0.351(2) 0.538(2) 0.085 Uiso 0.5 1 d D U P G 2
H16B H 0.0962 0.3332 0.5877 0.085 Uiso 0.5 1 d R U P G 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O14 2.351(9) . ?
Dy1 O13 2.357(9) . ?
Dy1 O10 2.377(8) . ?
Dy1 O5 2.385(9) . ?
Dy1 O7 2.389(11) . ?
Dy1 O12 2.407(9) . ?
Dy1 O17 2.444(11) . ?
Dy1 O3 2.489(11) . ?
Dy1 H17B 2.4602 . ?
Dy2 O15 2.342(9) . ?
Dy2 O4 2.345(10) . ?
Dy2 O9 2.351(10) . ?
Dy2 O8 2.374(12) . ?
Dy2 O11 2.392(9) . ?
Dy2 O6 2.411(10) . ?
Dy2 O2 2.436(10) . ?
Dy2 O1 2.496(13) . ?
O1 C64 1.47(2) . ?
O1 C64' 1.52(2) . ?
O1 H1A 0.9446 . ?
O2 C8 1.437(19) . ?
O2 H2A 0.9209 . ?
O3 C40 1.450(18) . ?
O3 H3B 0.9234 . ?
O4 C52 1.274(17) . ?
O5 C53 1.279(16) . ?
O6 C63 1.281(17) . ?
O7 C51 1.235(18) . ?
O8 C44 1.24(2) . ?
O9 C16 1.289(16) . ?
O10 C32 1.276(16) . ?
O11 C24 1.254(17) . ?
O12 C15 1.240(15) . ?
O13 C50 1.235(16) . ?
O14 C14 1.275(15) . ?
O15 C55 1.221(17) . ?
O17 C12 1.358(18) . ?
O17 H17B 0.9339 . ?
O18 C66 1.348(19) . ?
O18 C66' 1.353(19) . ?
O18 H18A 0.9516 . ?
O19 C67' 1.377(19) . ?
O19 C67 1.412(14) . ?
O19 H19A 0.9466 . ?
F1 C21 1.292(18) . ?
F2 C21 1.298(17) . ?
F3 C21 1.29(2) . ?
F4 C20 1.32(2) . ?
F5 C20 1.32(2) . ?
F6 C20 1.30(2) . ?
F7 C1 1.347(17) . ?
F8 C1 1.357(17) . ?
F9 C1 1.321(18) . ?
F10 C6 1.36(4) . ?
F11 C6 1.40(4) . ?
F12 C6 1.35(4) . ?
F10' C6 1.32(4) . ?
F11' C6 1.40(4) . ?
F12' C6 1.32(4) . ?
F13 C45 1.324(18) . ?
F14 C45 1.329(18) . ?
F15 C45 1.307(18) . ?
C1 C53 1.508(18) . ?
C2 C3 1.394(19) . ?
C2 C23 1.404(18) . ?
C2 C50 1.500(17) . ?
C3 C29 1.367(19) . ?
C3 H3A 0.9300 . ?
C4 C25 1.37(2) . ?
C4 C59 1.37(2) . ?
C4 H4A 0.9300 . ?
C5 C60 1.37(2) . ?
C5 C42 1.445(18) . ?
C5 H5A 0.9300 . ?
C6 C44 1.55(3) . ?
C7 C26 1.37(2) . ?
C7 C28 1.39(2) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C44 1.40(2) . ?
C9 C55 1.48(2) . ?
C9 H9A 0.9300 . ?
C10 C57 1.379(19) . ?
C10 C31 1.38(2) . ?
C10 H10A 0.9300 . ?
C11 C60 1.38(2) . ?
C11 C47 1.404(19) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C51 1.38(2) . ?
C13 C50 1.452(18) . ?
C13 H13A 0.9300 . ?
C14 C18 1.424(18) . ?
C14 C43 1.503(19) . ?
C15 C17 1.396(18) . ?
C15 C56 1.563(19) . ?
C16 C62 1.42(2) . ?
C16 C42 1.47(2) . ?
C17 C53 1.387(19) . ?
C17 H17A 0.9300 . ?
C18 C32 1.37(2) . ?
C18 H18B 0.9300 . ?
C19 C37 1.385(19) . ?
C19 C25 1.401(19) . ?
C19 C48 1.495(19) . ?
C20 C51 1.59(2) . ?
C21 C32 1.546(19) . ?
C22 C48 1.389(18) . ?
C22 C30 1.39(2) . ?
C22 H22A 0.9300 . ?
C23 C36 1.392(18) . ?
C23 H23A 0.9300 . ?
C24 C27 1.439(18) . ?
C24 C39 1.478(18) . ?
C25 H25A 0.9300 . ?
C26 C49 1.38(2) . ?
C26 H26A 0.9300 . ?
C27 C52 1.361(19) . ?
C27 H27A 0.9300 . ?
C28 C39 1.38(2) . ?
C28 H28A 0.9300 . ?
C29 C54 1.373(19) . ?
C29 H29A 0.9300 . ?
C30 C33 1.424(19) . ?
C30 C55 1.470(19) . ?
C31 C56 1.223(19) . ?
C31 H31A 0.9300 . ?
C33 C35 1.376(19) . ?
C33 H33A 0.9300 . ?
C34 C57 1.406(19) . ?
C34 C41 1.415(18) . ?
C34 C49 1.504(19) . ?
C35 C58 1.38(2) . ?
C35 H35A 0.9300 . ?
C36 C54 1.410(19) . ?
C36 C47 1.485(18) . ?
C37 C43 1.385(19) . ?
C37 H37A 0.9300 . ?
C38 C47 1.377(19) . ?
C38 C42 1.397(18) . ?
C38 H38A 0.9300 . ?
C39 C46 1.398(19) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C56 1.52(2) . ?
C41 H41A 0.9300 . ?
C43 C59 1.388(17) . ?
C45 C52 1.546(18) . ?
C46 C49 1.408(19) . ?
C46 H46A 0.9300 . ?
C48 C58 1.42(2) . ?
C54 H54A 0.9300 . ?
C57 H57A 0.9300 . ?
C58 H58A 0.9300 . ?
C59 H59A 0.9300 . ?
C60 H60A 0.9300 . ?
C61 F18' 1.21(3) . ?
C61 F16 1.26(3) . ?
C61 F17' 1.31(2) . ?
C61 F18 1.34(3) . ?
C61 F17 1.39(2) . ?
C61 F16' 1.51(2) . ?
C61 C63 1.52(2) . ?
C62 C63 1.37(2) . ?
C62 H62A 0.9300 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C64' H64D 0.9600 . ?
C64' H64E 0.9600 . ?
C64' H64F 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9599 . ?
C66 H66C 0.9597 . ?
C66' H66D 0.9601 . ?
C66' H66E 0.9600 . ?
C66' H66F 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9599 . ?
C67' H67D 0.9600 . ?
C67' H67E 0.9600 . ?
C67' H67F 0.9601 . ?
O16 C65 1.406(14) . ?
O16 H16A 0.9524 . ?
C65 H65A 0.9453 . ?
C65 H65B 0.9367 . ?
C65 H65C 0.9341 . ?
C65' O16' 1.37(2) . ?
C65' H65D 0.9353 . ?
C65' H65E 0.9422 . ?
C65' H65F 0.9429 . ?
O16' H16B 0.9523 . ?

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
O14 Dy1 O13 78.4(3) . . ?
O14 Dy1 O10 73.4(3) . . ?
O13 Dy1 O10 75.4(3) . . ?
O14 Dy1 O5 113.1(3) . . ?
O13 Dy1 O5 138.7(3) . . ?
O10 Dy1 O5 145.4(3) . . ?
O14 Dy1 O7 143.9(3) . . ?
O13 Dy1 O7 71.9(3) . . ?
O10 Dy1 O7 116.8(3) . . ?
O5 Dy1 O7 78.9(4) . . ?
O14 Dy1 O12 73.9(3) . . ?
O13 Dy1 O12 74.0(3) . . ?
O10 Dy1 O12 138.7(3) . . ?
O5 Dy1 O12 72.0(3) . . ?
O7 Dy1 O12 78.4(4) . . ?
O14 Dy1 O17 140.7(4) . . ?
O13 Dy1 O17 114.6(5) . . ?
O10 Dy1 O17 74.6(3) . . ?
O5 Dy1 O17 82.3(4) . . ?
O7 Dy1 O17 72.4(4) . . ?
O12 Dy1 O17 144.2(4) . . ?
O14 Dy1 O3 75.8(3) . . ?
O13 Dy1 O3 146.1(3) . . ?
O10 Dy1 O3 76.5(3) . . ?
O5 Dy1 O3 72.8(3) . . ?
O7 Dy1 O3 139.1(4) . . ?
O12 Dy1 O3 118.4(4) . . ?
O17 Dy1 O3 75.0(5) . . ?
O14 Dy1 H17B 160.5 . . ?
O13 Dy1 H17B 102.3 . . ?
O10 Dy1 H17B 87.8 . . ?
O5 Dy1 H17B 79.4 . . ?
O7 Dy1 H17B 50.5 . . ?
O12 Dy1 H17B 125.3 . . ?
O17 Dy1 H17B 22.0 . . ?
O3 Dy1 H17B 95.0 . . ?
O15 Dy2 O4 137.6(3) . . ?
O15 Dy2 O9 81.5(3) . . ?
O4 Dy2 O9 112.6(4) . . ?
O15 Dy2 O8 71.9(4) . . ?
O4 Dy2 O8 77.0(4) . . ?
O9 Dy2 O8 146.5(3) . . ?
O15 Dy2 O11 74.3(3) . . ?
O4 Dy2 O11 72.3(3) . . ?
O9 Dy2 O11 73.7(3) . . ?
O8 Dy2 O11 79.6(4) . . ?
O15 Dy2 O6 75.4(4) . . ?
O4 Dy2 O6 146.4(3) . . ?
O9 Dy2 O6 71.7(4) . . ?
O8 Dy2 O6 118.8(5) . . ?
O11 Dy2 O6 136.6(3) . . ?
O15 Dy2 O2 148.6(4) . . ?
O4 Dy2 O2 73.1(3) . . ?
O9 Dy2 O2 78.2(3) . . ?
O8 Dy2 O2 134.1(4) . . ?
O11 Dy2 O2 121.5(4) . . ?
O6 Dy2 O2 75.6(4) . . ?
O15 Dy2 O1 108.3(4) . . ?
O4 Dy2 O1 86.2(5) . . ?
O9 Dy2 O1 140.5(5) . . ?
O8 Dy2 O1 69.5(6) . . ?
O11 Dy2 O1 145.6(5) . . ?
O6 Dy2 O1 74.0(5) . . ?
O2 Dy2 O1 74.6(5) . . ?
C64 O1 Dy2 117(3) . . ?
C64' O1 Dy2 117(3) . . ?
C64 O1 H1A 123.3 . . ?
C64' O1 H1A 95.3 . . ?
Dy2 O1 H1A 93.5 . . ?
C8 O2 Dy2 130.5(10) . . ?
C8 O2 H2A 112.2 . . ?
Dy2 O2 H2A 117.0 . . ?
C40 O3 Dy1 129.8(9) . . ?
C40 O3 H3B 117.6 . . ?
Dy1 O3 H3B 112.4 . . ?
C52 O4 Dy2 133.5(8) . . ?
C53 O5 Dy1 133.5(9) . . ?
C63 O6 Dy2 130.7(10) . . ?
C51 O7 Dy1 127.8(9) . . ?
C44 O8 Dy2 131.1(10) . . ?
C16 O9 Dy2 136.4(10) . . ?
C32 O10 Dy1 130.8(8) . . ?
C24 O11 Dy2 138.2(8) . . ?
C15 O12 Dy1 137.3(9) . . ?
C50 O13 Dy1 134.4(8) . . ?
C14 O14 Dy1 133.3(9) . . ?
C55 O15 Dy2 135.4(10) . . ?
C12 O17 Dy1 135.5(11) . . ?
C12 O17 H17B 127.2 . . ?
Dy1 O17 H17B 80.0 . . ?
C66 O18 H18A 107.6 . . ?
C66' O18 H18A 128.9 . . ?
C67' O19 H19A 131.0 . . ?
C67 O19 H19A 111.5 . . ?
F9 C1 F7 106.3(12) . . ?
F9 C1 F8 106.0(13) . . ?
F7 C1 F8 104.9(12) . . ?
F9 C1 C53 113.1(13) . . ?
F7 C1 C53 114.8(13) . . ?
F8 C1 C53 111.1(12) . . ?
C3 C2 C23 119.4(12) . . ?
C3 C2 C50 123.7(12) . . ?
C23 C2 C50 116.8(12) . . ?
C29 C3 C2 120.4(13) . . ?
C29 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C25 C4 C59 121.2(13) . . ?
C25 C4 H4A 119.4 . . ?
C59 C4 H4A 119.4 . . ?
C60 C5 C42 118.9(14) . . ?
C60 C5 H5A 120.6 . . ?
C42 C5 H5A 120.6 . . ?
F10' C6 F12' 113(3) . . ?
F12 C6 F10 108(2) . . ?
F10' C6 F11' 109(3) . . ?
F12' C6 F11' 108(2) . . ?
F12 C6 F11 108(2) . . ?
F10 C6 F11 105(3) . . ?
F10' C6 C44 108(2) . . ?
F12' C6 C44 111(3) . . ?
F12 C6 C44 110(3) . . ?
F10 C6 C44 110(2) . . ?
F11' C6 C44 108(2) . . ?
F11 C6 C44 116(2) . . ?
C26 C7 C28 119.7(15) . . ?
C26 C7 H7A 120.1 . . ?
C28 C7 H7A 120.1 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C44 C9 C55 120.4(14) . . ?
C44 C9 H9A 119.8 . . ?
C55 C9 H9A 119.8 . . ?
C57 C10 C31 120.5(14) . . ?
C57 C10 H10A 119.8 . . ?
C31 C10 H10A 119.8 . . ?
C60 C11 C47 119.0(13) . . ?
C60 C11 H11A 120.5 . . ?
C47 C11 H11A 120.5 . . ?
O17 C12 H12A 109.5 . . ?
O17 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O17 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C51 C13 C50 120.9(13) . . ?
C51 C13 H13A 119.6 . . ?
C50 C13 H13A 119.6 . . ?
O14 C14 C18 124.4(13) . . ?
O14 C14 C43 115.9(11) . . ?
C18 C14 C43 119.7(12) . . ?
O12 C15 C17 124.7(12) . . ?
O12 C15 C56 120.6(12) . . ?
C17 C15 C56 114.7(12) . . ?
O9 C16 C62 121.9(14) . . ?
O9 C16 C42 117.5(13) . . ?
C62 C16 C42 120.6(12) . . ?
C53 C17 C15 123.6(12) . . ?
C53 C17 H17A 118.2 . . ?
C15 C17 H17A 118.2 . . ?
C32 C18 C14 123.1(12) . . ?
C32 C18 H18B 118.4 . . ?
C14 C18 H18B 118.4 . . ?
C37 C19 C25 118.2(13) . . ?
C37 C19 C48 121.1(12) . . ?
C25 C19 C48 120.5(13) . . ?
F6 C20 F4 106.7(17) . . ?
F6 C20 F5 108.0(14) . . ?
F4 C20 F5 108.0(15) . . ?
F6 C20 C51 111.5(14) . . ?
F4 C20 C51 112.3(13) . . ?
F5 C20 C51 110.1(15) . . ?
F3 C21 F1 105.6(15) . . ?
F3 C21 F2 108.3(15) . . ?
F1 C21 F2 107.2(14) . . ?
F3 C21 C32 112.8(13) . . ?
F1 C21 C32 110.2(13) . . ?
F2 C21 C32 112.4(13) . . ?
C48 C22 C30 122.0(13) . . ?
C48 C22 H22A 119.0 . . ?
C30 C22 H22A 119.0 . . ?
C36 C23 C2 120.3(12) . . ?
C36 C23 H23A 119.8 . . ?
C2 C23 H23A 119.8 . . ?
O11 C24 C27 122.5(12) . . ?
O11 C24 C39 119.2(12) . . ?
C27 C24 C39 118.3(13) . . ?
C4 C25 C19 120.0(14) . . ?
C4 C25 H25A 120.0 . . ?
C19 C25 H25A 120.0 . . ?
C7 C26 C49 120.7(14) . . ?
C7 C26 H26A 119.7 . . ?
C49 C26 H26A 119.7 . . ?
C52 C27 C24 122.7(13) . . ?
C52 C27 H27A 118.6 . . ?
C24 C27 H27A 118.6 . . ?
C39 C28 C7 121.3(13) . . ?
C39 C28 H28A 119.3 . . ?
C7 C28 H28A 119.3 . . ?
C3 C29 C54 120.7(13) . . ?
C3 C29 H29A 119.7 . . ?
C54 C29 H29A 119.7 . . ?
C22 C30 C33 118.6(12) . . ?
C22 C30 C55 117.3(12) . . ?
C33 C30 C55 124.1(13) . . ?
C56 C31 C10 122.6(15) . . ?
C56 C31 H31A 118.7 . . ?
C10 C31 H31A 118.7 . . ?
O10 C32 C18 128.9(12) . . ?
O10 C32 C21 112.3(12) . . ?
C18 C32 C21 118.8(12) . . ?
C35 C33 C30 120.6(13) . . ?
C35 C33 H33A 119.7 . . ?
C30 C33 H33A 119.7 . . ?
C57 C34 C41 117.4(13) . . ?
C57 C34 C49 121.2(12) . . ?
C41 C34 C49 121.4(13) . . ?
C33 C35 C58 119.0(13) . . ?
C33 C35 H35A 120.5 . . ?
C58 C35 H35A 120.5 . . ?
C23 C36 C54 118.5(12) . . ?
C23 C36 C47 122.4(12) . . ?
C54 C36 C47 119.1(12) . . ?
C19 C37 C43 121.8(12) . . ?
C19 C37 H37A 119.1 . . ?
C43 C37 H37A 119.1 . . ?
C47 C38 C42 123.6(12) . . ?
C47 C38 H38A 118.2 . . ?
C42 C38 H38A 118.2 . . ?
C28 C39 C46 118.6(13) . . ?
C28 C39 C24 124.0(13) . . ?
C46 C39 C24 117.4(13) . . ?
O3 C40 H40A 109.5 . . ?
O3 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O3 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C34 C41 C56 116.5(13) . . ?
C34 C41 H41A 121.8 . . ?
C56 C41 H41A 121.8 . . ?
C38 C42 C5 116.7(13) . . ?
C38 C42 C16 120.1(11) . . ?
C5 C42 C16 123.2(12) . . ?
C37 C43 C59 118.4(13) . . ?
C37 C43 C14 118.5(11) . . ?
C59 C43 C14 123.0(12) . . ?
O8 C44 C9 129.6(15) . . ?
O8 C44 C6 112.2(15) . . ?
C9 C44 C6 118.2(16) . . ?
F15 C45 F13 104.4(14) . . ?
F15 C45 F14 108.3(13) . . ?
F13 C45 F14 108.3(13) . . ?
F15 C45 C52 111.8(11) . . ?
F13 C45 C52 113.5(12) . . ?
F14 C45 C52 110.2(13) . . ?
C39 C46 C49 120.1(14) . . ?
C39 C46 H46A 120.0 . . ?
C49 C46 H46A 120.0 . . ?
C38 C47 C11 118.8(12) . . ?
C38 C47 C36 120.2(11) . . ?
C11 C47 C36 121.0(12) . . ?
C22 C48 C58 117.1(13) . . ?
C22 C48 C19 121.9(13) . . ?
C58 C48 C19 121.0(12) . . ?
C26 C49 C46 119.5(13) . . ?
C26 C49 C34 119.9(12) . . ?
C46 C49 C34 120.5(13) . . ?
O13 C50 C13 122.5(12) . . ?
O13 C50 C2 119.9(12) . . ?
C13 C50 C2 117.5(12) . . ?
O7 C51 C13 131.2(13) . . ?
O7 C51 C20 112.3(13) . . ?
C13 C51 C20 116.3(14) . . ?
O4 C52 C27 130.1(12) . . ?
O4 C52 C45 111.5(12) . . ?
C27 C52 C45 118.5(13) . . ?
O5 C53 C17 128.1(12) . . ?
O5 C53 C1 114.2(12) . . ?
C17 C53 C1 117.1(12) . . ?
C29 C54 C36 120.7(12) . . ?
C29 C54 H54A 119.7 . . ?
C36 C54 H54A 119.7 . . ?
O15 C55 C30 120.4(13) . . ?
O15 C55 C9 122.4(13) . . ?
C30 C55 C9 117.1(13) . . ?
C31 C56 C41 121.7(15) . . ?
C31 C56 C15 130.1(15) . . ?
C41 C56 C15 108.2(12) . . ?
C10 C57 C34 121.1(13) . . ?
C10 C57 H57A 119.5 . . ?
C34 C57 H57A 119.5 . . ?
C35 C58 C48 122.5(13) . . ?
C35 C58 H58A 118.7 . . ?
C48 C58 H58A 118.7 . . ?
C4 C59 C43 120.3(13) . . ?
C4 C59 H59A 119.8 . . ?
C43 C59 H59A 119.8 . . ?
C5 C60 C11 123.0(13) . . ?
C5 C60 H60A 118.5 . . ?
C11 C60 H60A 118.5 . . ?
F18' C61 F17' 110.5(18) . . ?
F16 C61 F18 109.8(17) . . ?
F16 C61 F17 106.6(16) . . ?
F18 C61 F17 103.3(15) . . ?
F18' C61 F16' 97.6(15) . . ?
F17' C61 F16' 92.4(15) . . ?
F18' C61 C63 118.5(18) . . ?
F16 C61 C63 113.6(16) . . ?
F17' C61 C63 120.5(15) . . ?
F18 C61 C63 110.3(16) . . ?
F17 C61 C63 112.6(15) . . ?
F16' C61 C63 111.5(14) . . ?
C63 C62 C16 123.5(13) . . ?
C63 C62 H62A 118.3 . . ?
C16 C62 H62A 118.3 . . ?
O6 C63 C62 129.6(14) . . ?
O6 C63 C61 112.9(14) . . ?
C62 C63 C61 117.5(13) . . ?
O1 C64 H64A 109.5 . . ?
O1 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
O1 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O1 C64' H64D 109.5 . . ?
O1 C64' H64E 109.5 . . ?
H64D C64' H64E 109.5 . . ?
O1 C64' H64F 109.5 . . ?
H64D C64' H64F 109.5 . . ?
H64E C64' H64F 109.5 . . ?
O18 C66 H66A 108.1 . . ?
O18 C66 H66B 110.3 . . ?
H66A C66 H66B 109.5 . . ?
O18 C66 H66C 109.9 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O18 C66' H66D 116.9 . . ?
O18 C66' H66E 106.9 . . ?
H66D C66' H66E 109.5 . . ?
O18 C66' H66F 104.3 . . ?
H66D C66' H66F 109.5 . . ?
H66E C66' H66F 109.5 . . ?
O19 C67 H67A 110.8 . . ?
O19 C67 H67B 108.2 . . ?
H67A C67 H67B 109.5 . . ?
O19 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O19 C67' H67D 106.9 . . ?
O19 C67' H67E 110.5 . . ?
H67D C67' H67E 109.5 . . ?
O19 C67' H67F 111.0 . . ?
H67D C67' H67F 109.5 . . ?
H67E C67' H67F 109.5 . . ?
C65 O16 H16A 115.5 . . ?
O16 C65 H65A 110.1 . . ?
O16 C65 H65B 108.4 . . ?
H65A C65 H65B 109.3 . . ?
O16 C65 H65C 109.2 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 110.3 . . ?
O16' C65' H65D 109.2 . . ?
O16' C65' H65E 109.3 . . ?
H65D C65' H65E 109.7 . . ?
O16' C65' H65F 110.0 . . ?
H65D C65' H65F 109.6 . . ?
H65E C65' H65F 109.0 . . ?
C65' O16' H16B 116.3 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1A O2 0.94 2.37 2.99(2) 122.9 .
O1 H1A O16 0.94 2.54 3.18(4) 125.5 .
O2 H2A O18 0.92 1.87 2.670(18) 143.6 .
O3 H3B O19 0.92 1.96 2.678(17) 132.8 2_557
O16 H16A O18 0.95 2.07 2.80(4) 132.0 .
O17 H17B O7 0.93 2.07 2.855(18) 141.0 .
O19 H19A O5 0.95 2.37 2.940(16) 118.4 2_557
O19 H19A O17 0.95 2.50 3.10(2) 121.3 2_557

_refine_diff_density_max         3.850
_refine_diff_density_min         -3.164
_refine_diff_density_rms         0.214

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1424065'
_audit_update_record             
;
2015-12-18 deposited with the CCDC.
2015-12-30 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         ?
_chemical_formula_sum            'C68 H50 Dy2 F18 O16'
_chemical_formula_weight         1790.08

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'
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           2
_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'
'-x, -y, -z'

_cell_length_a                   10.9663(4)
_cell_length_b                   17.7641(4)
_cell_length_c                   18.9915(6)
_cell_angle_alpha                94.042(2)
_cell_angle_beta                 101.496(3)
_cell_angle_gamma                103.186(3)
_cell_volume                     3503.69(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150
_cell_measurement_reflns_used    13767
_cell_measurement_theta_min      2.9437
_cell_measurement_theta_max      28.9937

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_F_000             1760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    2.230
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.607
_exptl_absorpt_correction_T_max  0.684
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_reflns_number            31716
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.950
_diffrn_reflns_theta_max         29.058
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.846
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.846
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             15839
_reflns_number_gt                12213
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          


# isor 0.01 f1 f2 f3 f1' f2' f3' f4 f5 f7 f10 f11 f12 c1 c1'
# sadi f1 f2 f2 f3 f3 f1
# sadi f1' f2' f2' f3' f3' f1'
# dfix  c1' c2 c2 c1 1.45
# dfix c1 f1 c1 f2 c1 f3 c1' f1' c1' f2' c1' f3' 1.35
# eadp c1 c1'
# eadp f1 f1'
# eadp f2 f2'
# eadp f3 f3'
# omit -3 -3 4
# omit -5 4 3
# omit 3 -4 5
# omit -2 0 4
# omit 2 5 2
# omit -4 0 4
# omit 0 5 2
# omit 1  1 7
# omit 4 -1 5
# omit -1 -10 4
# omit 5 -1 5
# omit 6 -4 1
;
 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       'CrysAlis PRO (Agilent, 2011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0026P)²+33.5230P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15839
_refine_ls_number_parameters     953
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0569
_refine_ls_wR_factor_ref         0.1349
_refine_ls_wR_factor_gt          0.1263
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_restrained_S_all      1.133
_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
O1 O 0.3926(6) 0.1271(3) 0.1173(4) 0.0601(18) Uani 1 1 d . . . . .
O2 O 0.5504(5) 0.2512(3) 0.2131(3) 0.0432(13) Uani 1 1 d . . . . .
O3 O 0.6286(6) 0.7244(3) 0.3944(3) 0.0462(14) Uani 1 1 d . . . . .
O4 O 0.6796(5) 0.8642(3) 0.4778(3) 0.0458(14) Uani 1 1 d . . . . .
O5 O 0.7557(5) 0.1995(3) 0.1723(3) 0.0431(13) Uani 1 1 d . . . . .
O6 O 0.7065(5) 0.3352(3) 0.1232(3) 0.0371(12) Uani 1 1 d . . . . .
O7 O 0.5157(5) 0.7746(3) 0.2634(3) 0.0364(12) Uani 1 1 d . . . . .
O8 O 0.3251(5) 0.8361(3) 0.3012(3) 0.0488(15) Uani 1 1 d . . . . .
O9 O 0.4399(5) 0.1868(3) -0.0191(3) 0.0438(13) Uani 1 1 d . . . . .
O10 O 0.4332(5) 0.2986(3) 0.0877(3) 0.0448(14) Uani 1 1 d . . . . .
O11 O 0.3693(6) 0.6910(3) 0.3509(3) 0.0470(14) Uani 1 1 d . . . . .
O12 O 0.3921(5) 0.7985(3) 0.4672(3) 0.0447(13) Uani 1 1 d . . . . .
O13 O 0.7269(6) 0.2131(4) 0.0130(3) 0.0530(15) Uani 1 1 d . . . . .
O14 O 0.5958(6) 0.0816(3) 0.0625(3) 0.0562(16) Uani 1 1 d . . . . .
O15 O 0.6619(7) 0.9196(4) 0.3385(4) 0.0678(19) Uani 1 1 d . . . . .
O16 O 0.4829(7) 0.9505(3) 0.4091(4) 0.0649(19) Uani 1 1 d . . . . .
Dy1 Dy 0.50582(3) 0.81695(2) 0.37838(2) 0.03453(10) Uani 1 1 d . . . . .
Dy2 Dy 0.56834(3) 0.21366(2) 0.09644(2) 0.03410(10) Uani 1 1 d . . . . .
C2 C 0.3189(9) 0.1323(6) 0.1607(6) 0.068(3) Uani 1 1 d D . . . .
C3 C 0.3424(10) 0.1860(5) 0.2210(6) 0.067(3) Uani 1 1 d . . . . .
H3 H 0.2749 0.1814 0.2445 0.080 Uiso 1 1 d R U . . .
C4 C 0.4591(8) 0.2430(4) 0.2454(4) 0.0415(18) Uani 1 1 d . . . . .
C5 C 0.4772(8) 0.3001(4) 0.3117(4) 0.0378(17) Uani 1 1 d . . . . .
C6 C 0.4079(8) 0.2831(5) 0.3638(5) 0.049(2) Uani 1 1 d . . . . .
H6 H 0.3487 0.2354 0.3593 0.059 Uiso 1 1 calc R U . . .
C7 C 0.4272(8) 0.3382(6) 0.4236(5) 0.057(3) Uani 1 1 d . . . . .
H7 H 0.3796 0.3277 0.4587 0.069 Uiso 1 1 calc R U . . .
C8 C 0.5150(8) 0.4068(5) 0.4303(5) 0.046(2) Uani 1 1 d . . . . .
H8 H 0.5273 0.4425 0.4709 0.056 Uiso 1 1 calc R U . . .
C9 C 0.5867(7) 0.4259(4) 0.3801(4) 0.0375(17) Uani 1 1 d . . . . .
C10 C 0.5674(7) 0.3703(4) 0.3195(4) 0.0377(17) Uani 1 1 d . . . . .
H10 H 0.6156 0.3809 0.2846 0.045 Uiso 1 1 calc R U . . .
C11 C 0.6890(8) 0.4993(4) 0.3926(4) 0.0391(17) Uani 1 1 d . . . . .
C12 C 0.8170(8) 0.4954(5) 0.4007(5) 0.055(2) Uani 1 1 d . . . . .
H12 H 0.8358 0.4474 0.3931 0.066 Uiso 1 1 calc R U . . .
C13 C 0.9147(9) 0.5616(6) 0.4196(6) 0.068(3) Uani 1 1 d . . . . .
H13 H 0.9992 0.5578 0.4248 0.082 Uiso 1 1 calc R U . . .
C14 C 0.8903(8) 0.6345(5) 0.4314(6) 0.060(3) Uani 1 1 d . . . . .
H14 H 0.9577 0.6789 0.4454 0.072 Uiso 1 1 calc R U . . .
C15 C 0.7640(8) 0.6400(4) 0.4217(4) 0.0408(18) Uani 1 1 d . . . . .
C16 C 0.6660(7) 0.5726(4) 0.4022(4) 0.0384(17) Uani 1 1 d . . . . .
H16 H 0.5814 0.5766 0.3953 0.046 Uiso 1 1 calc R U . . .
C17 C 0.7319(7) 0.7175(4) 0.4324(4) 0.0368(17) Uani 1 1 d . . . . .
C18 C 0.8165(8) 0.7774(4) 0.4849(5) 0.0436(19) Uani 1 1 d . . . . .
H18 H 0.8976 0.7721 0.5063 0.052 Uiso 1 1 calc R U . . .
C19 C 0.7791(7) 0.8429(4) 0.5041(4) 0.0330(16) Uani 1 1 d . . . . .
C20 C 0.9216(9) 0.2106(5) 0.2736(5) 0.053(2) Uani 1 1 d . . . . .
C21 C 0.8367(7) 0.2494(4) 0.2194(4) 0.0395(18) Uani 1 1 d . . . . .
C22 C 0.8581(7) 0.3286(4) 0.2278(5) 0.0408(18) Uani 1 1 d . . . . .
H22 H 0.9199 0.3572 0.2673 0.049 Uiso 1 1 calc R U . . .
C23 C 0.7897(7) 0.3686(4) 0.1787(4) 0.0352(16) Uani 1 1 d . . . . .
C24 C 0.8103(7) 0.4547(4) 0.1934(4) 0.0325(15) Uani 1 1 d . . . . .
C25 C 0.9237(8) 0.5042(5) 0.2324(5) 0.049(2) Uani 1 1 d . . . . .
H25 H 0.9930 0.4842 0.2511 0.059 Uiso 1 1 calc R U . . .
C26 C 0.9346(8) 0.5840(5) 0.2437(6) 0.061(3) Uani 1 1 d . . . . .
H26 H 1.0119 0.6171 0.2690 0.073 Uiso 1 1 calc R U . . .
C27 C 0.8319(8) 0.6140(5) 0.2179(5) 0.051(2) Uani 1 1 d . . . . .
H27 H 0.8396 0.6672 0.2271 0.061 Uiso 1 1 calc R U . . .
C28 C 0.7158(7) 0.5658(4) 0.1779(4) 0.0349(16) Uani 1 1 d . . . . .
C29 C 0.7070(7) 0.4863(4) 0.1658(4) 0.0324(15) Uani 1 1 d . . . . .
H29 H 0.6309 0.4534 0.1389 0.039 Uiso 1 1 calc R U . . .
C30 C 0.6062(7) 0.5985(4) 0.1476(4) 0.0355(16) Uani 1 1 d . . . . .
C31 C 0.5386(8) 0.5744(4) 0.0777(4) 0.0425(19) Uani 1 1 d . . . . .
H31 H 0.5601 0.5362 0.0500 0.051 Uiso 1 1 calc R U . . .
C32 C 0.4384(8) 0.6061(5) 0.0473(4) 0.044(2) Uani 1 1 d . . . . .
H32 H 0.3968 0.5913 -0.0010 0.053 Uiso 1 1 calc R U . . .
C33 C 0.4006(8) 0.6596(4) 0.0891(4) 0.0410(18) Uani 1 1 d . . . . .
H33 H 0.3307 0.6789 0.0696 0.049 Uiso 1 1 calc R U . . .
C34 C 0.4670(7) 0.6845(4) 0.1598(4) 0.0323(15) Uani 1 1 d . . . . .
C35 C 0.5699(7) 0.6541(4) 0.1894(4) 0.0344(16) Uani 1 1 d . . . . .
H35 H 0.6145 0.6708 0.2370 0.041 Uiso 1 1 calc R U . . .
C36 C 0.4311(7) 0.7410(4) 0.2087(4) 0.0334(16) Uani 1 1 d . . . . .
C37 C 0.3057(7) 0.7530(5) 0.1940(4) 0.0440(19) Uani 1 1 d . . . . .
H37 H 0.2479 0.7276 0.1518 0.053 Uiso 1 1 calc R U . . .
C38 C 0.2668(7) 0.8006(5) 0.2401(5) 0.045(2) Uani 1 1 d . . . . .
C39 C 0.1295(9) 0.8101(7) 0.2187(6) 0.065(3) Uani 1 1 d . . . . .
C40 C 0.2651(9) 0.1526(5) -0.1188(5) 0.051(2) Uani 1 1 d . . . . .
C41 C 0.3327(8) 0.2034(4) -0.0482(4) 0.0385(18) Uani 1 1 d . . . . .
C42 C 0.2798(8) 0.2572(5) -0.0208(5) 0.049(2) Uani 1 1 d . . . . .
H42 H 0.2022 0.2629 -0.0474 0.059 Uiso 1 1 calc R U . . .
C43 C 0.3337(7) 0.3050(4) 0.0450(5) 0.0405(18) Uani 1 1 d . . . . .
C44 C 0.2718(7) 0.3673(4) 0.0680(4) 0.0405(18) Uani 1 1 d . . . . .
C45 C 0.2024(8) 0.4037(5) 0.0184(5) 0.047(2) Uani 1 1 d . . . . .
H45 H 0.1893 0.3879 -0.0308 0.057 Uiso 1 1 calc R U . . .
C46 C 0.1526(9) 0.4632(6) 0.0410(5) 0.057(2) Uani 1 1 d . . . . .
H46 H 0.1084 0.4886 0.0073 0.068 Uiso 1 1 calc R U . . .
C47 C 0.1687(8) 0.4850(5) 0.1146(5) 0.048(2) Uani 1 1 d . . . . .
H47 H 0.1347 0.5252 0.1297 0.058 Uiso 1 1 calc R U . . .
C48 C 0.2339(7) 0.4485(4) 0.1660(4) 0.0373(17) Uani 1 1 d . . . . .
C49 C 0.2860(7) 0.3897(4) 0.1411(4) 0.0402(18) Uani 1 1 d . . . . .
H49 H 0.3316 0.3648 0.1747 0.048 Uiso 1 1 calc R U . . .
C50 C 0.2385(7) 0.4663(4) 0.2445(4) 0.0379(17) Uani 1 1 d . . . . .
C51 C 0.2066(8) 0.4079(5) 0.2870(5) 0.047(2) Uani 1 1 d . . . . .
H51 H 0.1890 0.3563 0.2668 0.057 Uiso 1 1 calc R U . . .
C52 C 0.1999(8) 0.4232(5) 0.3574(5) 0.048(2) Uani 1 1 d . . . . .
H52 H 0.1755 0.3824 0.3838 0.058 Uiso 1 1 calc R U . . .
C53 C 0.2297(7) 0.5003(5) 0.3898(5) 0.0427(19) Uani 1 1 d . . . . .
H53 H 0.2256 0.5110 0.4378 0.051 Uiso 1 1 calc R U . . .
C54 C 0.2655(6) 0.5606(4) 0.3497(4) 0.0346(16) Uani 1 1 d . . . . .
C55 C 0.2700(7) 0.5435(4) 0.2775(4) 0.0390(18) Uani 1 1 d . . . . .
H55 H 0.2943 0.5840 0.2508 0.047 Uiso 1 1 calc R U . . .
C56 C 0.3052(7) 0.6442(4) 0.3823(4) 0.0375(17) Uani 1 1 d . . . . .
C57 C 0.2699(7) 0.6673(5) 0.4467(5) 0.0441(19) Uani 1 1 d . . . . .
H57 H 0.2159 0.6302 0.4662 0.053 Uiso 1 1 calc R U . . .
C58 C 0.3115(7) 0.7419(5) 0.4818(4) 0.0401(18) Uani 1 1 d . . . . .
C59 C 0.2561(9) 0.7629(5) 0.5462(5) 0.051(2) Uani 1 1 d . . . . .
C60 C 0.8608(9) 0.2497(7) 0.0343(6) 0.069(3) Uani 1 1 d . . . . .
H60A H 0.9016 0.2217 0.0694 0.103 Uiso 1 1 calc R U . . .
H60B H 0.8728 0.3024 0.0550 0.103 Uiso 1 1 calc R U . . .
H60C H 0.8982 0.2495 -0.0074 0.103 Uiso 1 1 calc R U . . .
C61 C 0.6970(11) 0.1370(6) -0.0281(5) 0.068(3) Uani 1 1 d . . . . .
H61A H 0.7620 0.1343 -0.0555 0.081 Uiso 1 1 calc R U . . .
H61B H 0.6146 0.1277 -0.0619 0.081 Uiso 1 1 calc R U . . .
C62 C 0.6926(11) 0.0755(6) 0.0240(6) 0.072(3) Uani 1 1 d . . . . .
H62A H 0.6725 0.0240 -0.0026 0.086 Uiso 1 1 calc R U . . .
H62B H 0.7752 0.0842 0.0574 0.086 Uiso 1 1 calc R U . . .
C63 C 0.5928(11) 0.0275(5) 0.1148(6) 0.073(3) Uani 1 1 d . . . . .
H63A H 0.5649 -0.0247 0.0903 0.110 Uiso 1 1 calc R U . . .
H63B H 0.5343 0.0356 0.1443 0.110 Uiso 1 1 calc R U . . .
H63C H 0.6773 0.0351 0.1448 0.110 Uiso 1 1 calc R U . . .
C64 C 0.7810(12) 0.9084(8) 0.3293(7) 0.096(4) Uani 1 1 d . . . . .
H64A H 0.8143 0.9440 0.2979 0.143 Uiso 1 1 calc R U . . .
H64B H 0.7699 0.8559 0.3083 0.143 Uiso 1 1 calc R U . . .
H64C H 0.8402 0.9178 0.3755 0.143 Uiso 1 1 calc R U . . .
C65 C 0.6742(15) 0.9997(6) 0.3693(8) 0.098(5) Uani 1 1 d . . . . .
H65A H 0.7153 1.0366 0.3407 0.117 Uiso 1 1 calc R U . . .
H65B H 0.7253 1.0097 0.4185 0.117 Uiso 1 1 calc R U . . .
C66 C 0.5388(17) 1.0075(6) 0.3683(8) 0.111(6) Uani 1 1 d . . . . .
H66A H 0.5410 1.0592 0.3894 0.133 Uiso 1 1 calc R U . . .
H66B H 0.4887 0.9990 0.3189 0.133 Uiso 1 1 calc R U . . .
C67 C 0.3629(11) 0.9649(7) 0.4196(7) 0.094(5) Uani 1 1 d . . . . .
H67A H 0.3791 1.0148 0.4474 0.141 Uiso 1 1 calc R U . . .
H67B H 0.3220 0.9250 0.4448 0.141 Uiso 1 1 calc R U . . .
H67C H 0.3077 0.9644 0.3733 0.141 Uiso 1 1 calc R U . . .
C68 C 0.8738(9) 0.9048(5) 0.5635(5) 0.055(2) Uani 1 1 d . . . . .
F1 F 0.146(2) 0.0534(15) 0.1984(11) 0.118(6) Uani 0.5 1 d D U P A 1
F2 F 0.177(2) 0.0151(10) 0.0955(9) 0.110(5) Uani 0.5 1 d D U P A 1
F3 F 0.0964(19) 0.1113(12) 0.1038(11) 0.149(6) Uani 0.5 1 d D U P A 1
C1 C 0.1872(18) 0.0786(12) 0.1391(12) 0.101(5) Uani 0.5 1 d D U P A 1
F1' F 0.106(2) 0.0737(15) 0.1777(12) 0.118(6) Uani 0.5 1 d D U P A 2
F2' F 0.2202(18) 0.0007(10) 0.1389(9) 0.110(5) Uani 0.5 1 d D U P A 2
F3' F 0.1377(18) 0.0774(13) 0.0688(10) 0.149(6) Uani 0.5 1 d D U P A 2
C1' C 0.1950(18) 0.0708(12) 0.1374(12) 0.101(5) Uani 0.5 1 d D U P A 2
F4 F 0.9898(6) 0.8940(4) 0.5806(4) 0.099(2) Uani 1 1 d . U . . .
F5 F 0.8295(8) 0.9020(5) 0.6241(4) 0.110(3) Uani 1 1 d . U . . .
F6 F 0.8851(6) 0.9759(3) 0.5481(4) 0.087(2) Uani 1 1 d . . . . .
F7 F 1.0057(9) 0.1898(6) 0.2432(5) 0.137(4) Uani 1 1 d . U . . .
F8 F 0.8559(8) 0.1498(4) 0.2932(5) 0.137(4) Uani 1 1 d . . . . .
F9 F 0.9871(7) 0.2563(4) 0.3320(3) 0.088(2) Uani 1 1 d . . . . .
F10 F 0.0612(7) 0.7703(6) 0.1571(4) 0.133(4) Uani 1 1 d . U . . .
F11 F 0.1269(7) 0.8818(5) 0.2184(6) 0.144(4) Uani 1 1 d . U . . .
F12 F 0.0611(6) 0.7849(5) 0.2659(5) 0.114(3) Uani 1 1 d . U . . .
F13 F 0.1959(7) 0.0863(4) -0.1076(4) 0.092(2) Uani 1 1 d . . . . .
F14 F 0.3466(6) 0.1347(3) -0.1567(3) 0.0659(15) Uani 1 1 d . . . . .
F15 F 0.1908(7) 0.1876(4) -0.1618(3) 0.094(2) Uani 1 1 d . . . . .
F16 F 0.1838(7) 0.7021(4) 0.5678(4) 0.092(2) Uani 1 1 d . . . . .
F17 F 0.1821(7) 0.8105(4) 0.5284(4) 0.088(2) Uani 1 1 d . . . . .
F18 F 0.3455(6) 0.7996(4) 0.6028(3) 0.0755(17) 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
O1 C2 1.276(11) . ?
O1 Dy2 2.297(6) . ?
O2 C4 1.261(9) . ?
O2 Dy2 2.328(5) . ?
O3 C17 1.253(9) . ?
O3 Dy1 2.351(5) . ?
O4 C19 1.257(8) . ?
O4 Dy1 2.348(5) . ?
O5 C21 1.259(9) . ?
O5 Dy2 2.338(5) . ?
O6 C23 1.256(9) . ?
O6 Dy2 2.293(5) . ?
O7 C36 1.254(8) . ?
O7 Dy1 2.290(5) . ?
O8 C38 1.253(10) . ?
O8 Dy1 2.326(5) . ?
O9 C41 1.302(9) . ?
O9 Dy2 2.311(5) . ?
O10 C43 1.257(9) . ?
O10 Dy2 2.336(5) . ?
O11 C56 1.229(9) . ?
O11 Dy1 2.348(5) . ?
O12 C58 1.266(9) . ?
O12 Dy1 2.289(6) . ?
O13 C60 1.426(11) . ?
O13 C61 1.447(10) . ?
O13 Dy2 2.576(6) . ?
O14 C62 1.423(12) . ?
O14 C63 1.430(11) . ?
O14 Dy2 2.489(5) . ?
O15 C64 1.408(14) . ?
O15 C65 1.466(13) . ?
O15 Dy1 2.474(7) . ?
O16 C66 1.420(15) . ?
O16 C67 1.445(12) . ?
O16 Dy1 2.484(6) . ?
C2 C3 1.380(12) . ?
C2 C1 1.498(17) . ?
C2 C1' 1.499(18) . ?
C3 C4 1.409(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.511(10) . ?
C5 C6 1.373(11) . ?
C5 C10 1.381(10) . ?
C6 C7 1.394(11) . ?
C6 H6 0.9300 . ?
C7 C8 1.349(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.366(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.412(10) . ?
C9 C11 1.482(11) . ?
C10 H10 0.9300 . ?
C11 C16 1.389(10) . ?
C11 C12 1.399(11) . ?
C12 C13 1.368(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.393(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.388(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.386(11) . ?
C15 C17 1.506(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.421(10) . ?
C18 C19 1.368(10) . ?
C18 H18 0.9300 . ?
C19 C68 1.548(11) . ?
C20 F8 1.277(11) . ?
C20 F7 1.288(12) . ?
C20 F9 1.302(10) . ?
C20 C21 1.553(11) . ?
C21 C22 1.365(10) . ?
C22 C23 1.412(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.491(9) . ?
C24 C25 1.382(10) . ?
C24 C29 1.404(9) . ?
C25 C26 1.393(11) . ?
C25 H25 0.9300 . ?
C26 C27 1.373(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.399(11) . ?
C27 H27 0.9300 . ?
C28 C29 1.392(9) . ?
C28 C30 1.484(10) . ?
C29 H29 0.9300 . ?
C30 C31 1.371(10) . ?
C30 C35 1.399(9) . ?
C31 C32 1.390(11) . ?
C31 H31 0.9300 . ?
C32 C33 1.382(10) . ?
C32 H32 0.9300 . ?
C33 C34 1.382(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.397(10) . ?
C34 C36 1.490(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.415(10) . ?
C37 C38 1.368(11) . ?
C37 H37 0.9300 . ?
C38 C39 1.530(11) . ?
C39 F11 1.281(12) . ?
C39 F10 1.312(12) . ?
C39 F12 1.317(13) . ?
C40 F13 1.304(11) . ?
C40 F15 1.324(10) . ?
C40 F14 1.330(10) . ?
C40 C41 1.513(10) . ?
C41 C42 1.352(10) . ?
C42 C43 1.399(11) . ?
C42 H42 0.9300 . ?
C43 C44 1.505(10) . ?
C44 C45 1.382(11) . ?
C44 C49 1.386(11) . ?
C45 C46 1.376(11) . ?
C45 H45 0.9300 . ?
C46 C47 1.389(12) . ?
C46 H46 0.9300 . ?
C47 C48 1.381(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.396(9) . ?
C48 C50 1.491(11) . ?
C49 H49 0.9300 . ?
C50 C51 1.383(12) . ?
C50 C55 1.403(10) . ?
C51 C52 1.366(12) . ?
C51 H51 0.9300 . ?
C52 C53 1.399(10) . ?
C52 H52 0.9300 . ?
C53 C54 1.386(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.398(11) . ?
C54 C56 1.499(9) . ?
C55 H55 0.9300 . ?
C56 C57 1.416(11) . ?
C57 C58 1.372(10) . ?
C57 H57 0.9300 . ?
C58 C59 1.530(11) . ?
C59 F17 1.315(10) . ?
C59 F18 1.316(10) . ?
C59 F16 1.329(10) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 C62 1.523(14) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C66 1.519(19) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 F6 1.301(10) . ?
C68 F4 1.309(10) . ?
C68 F5 1.335(12) . ?
F1 C1 1.361(18) . ?
F2 C1 1.321(17) . ?
F3 C1 1.353(18) . ?
F1' C1' 1.362(17) . ?
F2' C1' 1.338(18) . ?
F3' C1' 1.354(18) . ?

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
C2 O1 Dy2 132.2(5) . . ?
C4 O2 Dy2 134.7(5) . . ?
C17 O3 Dy1 139.4(5) . . ?
C19 O4 Dy1 134.9(5) . . ?
C21 O5 Dy2 128.5(5) . . ?
C23 O6 Dy2 132.7(5) . . ?
C36 O7 Dy1 132.6(5) . . ?
C38 O8 Dy1 129.0(5) . . ?
C41 O9 Dy2 133.0(4) . . ?
C43 O10 Dy2 137.1(5) . . ?
C56 O11 Dy1 137.5(5) . . ?
C58 O12 Dy1 134.7(5) . . ?
C60 O13 C61 114.2(7) . . ?
C60 O13 Dy2 123.9(5) . . ?
C61 O13 Dy2 109.3(6) . . ?
C62 O14 C63 109.6(8) . . ?
C62 O14 Dy2 118.2(6) . . ?
C63 O14 Dy2 118.8(6) . . ?
C64 O15 C65 111.3(9) . . ?
C64 O15 Dy1 121.3(7) . . ?
C65 O15 Dy1 116.0(7) . . ?
C66 O16 C67 108.8(10) . . ?
C66 O16 Dy1 115.1(7) . . ?
C67 O16 Dy1 121.9(6) . . ?
O12 Dy1 O7 145.47(18) . . ?
O12 Dy1 O8 89.3(2) . . ?
O7 Dy1 O8 73.36(18) . . ?
O12 Dy1 O11 72.70(18) . . ?
O7 Dy1 O11 74.40(19) . . ?
O8 Dy1 O11 77.2(2) . . ?
O12 Dy1 O4 82.7(2) . . ?
O7 Dy1 O4 126.81(19) . . ?
O8 Dy1 O4 149.03(18) . . ?
O11 Dy1 O4 127.6(2) . . ?
O12 Dy1 O3 102.5(2) . . ?
O7 Dy1 O3 75.68(19) . . ?
O8 Dy1 O3 139.95(18) . . ?
O11 Dy1 O3 70.5(2) . . ?
O4 Dy1 O3 70.99(18) . . ?
O12 Dy1 O15 140.4(2) . . ?
O7 Dy1 O15 72.3(2) . . ?
O8 Dy1 O15 95.6(2) . . ?
O11 Dy1 O15 146.6(2) . . ?
O4 Dy1 O15 73.1(2) . . ?
O3 Dy1 O15 98.6(2) . . ?
O12 Dy1 O16 78.5(2) . . ?
O7 Dy1 O16 120.8(2) . . ?
O8 Dy1 O16 70.5(2) . . ?
O11 Dy1 O16 136.4(2) . . ?
O4 Dy1 O16 78.6(2) . . ?
O3 Dy1 O16 149.1(2) . . ?
O15 Dy1 O16 66.5(3) . . ?
O6 Dy2 O1 148.40(19) . . ?
O6 Dy2 O9 115.31(19) . . ?
O1 Dy2 O9 80.1(2) . . ?
O6 Dy2 O2 77.84(19) . . ?
O1 Dy2 O2 73.2(2) . . ?
O9 Dy2 O2 138.01(19) . . ?
O6 Dy2 O10 75.91(19) . . ?
O1 Dy2 O10 83.5(2) . . ?
O9 Dy2 O10 72.91(17) . . ?
O2 Dy2 O10 72.42(19) . . ?
O6 Dy2 O5 73.45(18) . . ?
O1 Dy2 O5 110.0(2) . . ?
O9 Dy2 O5 146.01(18) . . ?
O2 Dy2 O5 74.88(19) . . ?
O10 Dy2 O5 138.91(18) . . ?
O6 Dy2 O14 133.5(2) . . ?
O1 Dy2 O14 74.1(2) . . ?
O9 Dy2 O14 80.45(19) . . ?
O2 Dy2 O14 120.7(2) . . ?
O10 Dy2 O14 147.7(2) . . ?
O5 Dy2 O14 71.99(19) . . ?
O6 Dy2 O13 75.31(19) . . ?
O1 Dy2 O13 136.28(19) . . ?
O9 Dy2 O13 75.60(19) . . ?
O2 Dy2 O13 144.43(19) . . ?
O10 Dy2 O13 121.8(2) . . ?
O5 Dy2 O13 75.4(2) . . ?
O14 Dy2 O13 66.5(2) . . ?
O1 C2 C3 127.5(8) . . ?
O1 C2 C1 115.6(11) . . ?
C3 C2 C1 116.7(11) . . ?
O1 C2 C1' 110.7(11) . . ?
C3 C2 C1' 121.8(12) . . ?
C2 C3 C4 123.1(8) . . ?
C2 C3 H3 114.5 . . ?
C4 C3 H3 122.4 . . ?
O2 C4 C3 123.2(7) . . ?
O2 C4 C5 116.9(7) . . ?
C3 C4 C5 119.9(7) . . ?
C6 C5 C10 120.2(7) . . ?
C6 C5 C4 121.6(7) . . ?
C10 C5 C4 118.2(7) . . ?
C5 C6 C7 119.3(8) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C8 C7 C6 119.9(8) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 122.8(8) . . ?
C7 C8 H8 118.6 . . ?
C9 C8 H8 118.6 . . ?
C8 C9 C10 117.5(7) . . ?
C8 C9 C11 120.8(7) . . ?
C10 C9 C11 121.5(7) . . ?
C5 C10 C9 120.3(7) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C16 C11 C12 117.3(7) . . ?
C16 C11 C9 123.4(7) . . ?
C12 C11 C9 119.1(7) . . ?
C13 C12 C11 120.7(8) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 121.3(9) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 119.1(8) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C16 C15 C14 119.0(7) . . ?
C16 C15 C17 119.7(7) . . ?
C14 C15 C17 121.3(7) . . ?
C15 C16 C11 122.6(7) . . ?
C15 C16 H16 118.7 . . ?
C11 C16 H16 118.7 . . ?
O3 C17 C18 123.6(7) . . ?
O3 C17 C15 116.8(7) . . ?
C18 C17 C15 119.6(7) . . ?
C19 C18 C17 120.3(7) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
O4 C19 C18 129.7(7) . . ?
O4 C19 C68 112.4(6) . . ?
C18 C19 C68 117.8(7) . . ?
F8 C20 F7 107.6(9) . . ?
F8 C20 F9 107.5(9) . . ?
F7 C20 F9 105.5(9) . . ?
F8 C20 C21 112.2(8) . . ?
F7 C20 C21 109.3(8) . . ?
F9 C20 C21 114.3(7) . . ?
O5 C21 C22 129.7(7) . . ?
O5 C21 C20 111.6(7) . . ?
C22 C21 C20 118.7(7) . . ?
C21 C22 C23 122.2(7) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 H22 118.9 . . ?
O6 C23 C22 123.5(7) . . ?
O6 C23 C24 116.5(7) . . ?
C22 C23 C24 119.9(7) . . ?
C25 C24 C29 118.7(7) . . ?
C25 C24 C23 124.1(7) . . ?
C29 C24 C23 117.2(6) . . ?
C24 C25 C26 120.3(7) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C27 C26 C25 120.4(8) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 120.9(7) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C29 C28 C27 118.1(7) . . ?
C29 C28 C30 120.9(6) . . ?
C27 C28 C30 121.0(7) . . ?
C28 C29 C24 121.5(7) . . ?
C28 C29 H29 119.2 . . ?
C24 C29 H29 119.2 . . ?
C31 C30 C35 118.8(7) . . ?
C31 C30 C28 120.2(6) . . ?
C35 C30 C28 121.0(7) . . ?
C30 C31 C32 121.2(7) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C33 C32 C31 120.0(7) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 119.8(7) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C33 C34 C35 119.9(6) . . ?
C33 C34 C36 123.1(7) . . ?
C35 C34 C36 116.9(6) . . ?
C34 C35 C30 120.2(7) . . ?
C34 C35 H35 119.9 . . ?
C30 C35 H35 119.9 . . ?
O7 C36 C37 122.9(7) . . ?
O7 C36 C34 116.6(6) . . ?
C37 C36 C34 120.4(7) . . ?
C38 C37 C36 122.1(7) . . ?
C38 C37 H37 119.0 . . ?
C36 C37 H37 119.0 . . ?
O8 C38 C37 129.6(7) . . ?
O8 C38 C39 112.4(7) . . ?
C37 C38 C39 117.9(8) . . ?
F11 C39 F10 109.5(10) . . ?
F11 C39 F12 104.2(9) . . ?
F10 C39 F12 103.4(10) . . ?
F11 C39 C38 111.9(9) . . ?
F10 C39 C38 115.1(8) . . ?
F12 C39 C38 111.9(9) . . ?
F13 C40 F15 109.2(8) . . ?
F13 C40 F14 105.8(7) . . ?
F15 C40 F14 105.9(8) . . ?
F13 C40 C41 111.2(8) . . ?
F15 C40 C41 111.8(7) . . ?
F14 C40 C41 112.6(7) . . ?
O9 C41 C42 126.8(7) . . ?
O9 C41 C40 112.5(6) . . ?
C42 C41 C40 120.7(7) . . ?
C41 C42 C43 124.5(8) . . ?
C41 C42 H42 117.7 . . ?
C43 C42 H42 117.7 . . ?
O10 C43 C42 123.1(7) . . ?
O10 C43 C44 116.7(7) . . ?
C42 C43 C44 120.2(7) . . ?
C45 C44 C49 118.6(7) . . ?
C45 C44 C43 122.1(7) . . ?
C49 C44 C43 119.2(7) . . ?
C46 C45 C44 120.8(8) . . ?
C46 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
C45 C46 C47 119.4(8) . . ?
C45 C46 H46 120.3 . . ?
C47 C46 H46 120.3 . . ?
C48 C47 C46 121.6(7) . . ?
C48 C47 H47 119.2 . . ?
C46 C47 H47 119.2 . . ?
C47 C48 C49 117.4(7) . . ?
C47 C48 C50 121.1(7) . . ?
C49 C48 C50 121.3(7) . . ?
C44 C49 C48 122.1(7) . . ?
C44 C49 H49 119.0 . . ?
C48 C49 H49 119.0 . . ?
C51 C50 C55 117.3(8) . . ?
C51 C50 C48 121.6(7) . . ?
C55 C50 C48 121.0(7) . . ?
C52 C51 C50 122.5(7) . . ?
C52 C51 H51 118.8 . . ?
C50 C51 H51 118.8 . . ?
C51 C52 C53 120.0(8) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C54 C53 C52 119.5(8) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C53 C54 C55 119.5(7) . . ?
C53 C54 C56 122.1(7) . . ?
C55 C54 C56 118.4(7) . . ?
C54 C55 C50 121.2(8) . . ?
C54 C55 H55 119.4 . . ?
C50 C55 H55 119.4 . . ?
O11 C56 C57 122.1(7) . . ?
O11 C56 C54 117.2(7) . . ?
C57 C56 C54 120.7(7) . . ?
C58 C57 C56 123.1(8) . . ?
C58 C57 H57 118.4 . . ?
C56 C57 H57 118.4 . . ?
O12 C58 C57 127.9(7) . . ?
O12 C58 C59 113.2(6) . . ?
C57 C58 C59 118.9(7) . . ?
F17 C59 F18 106.3(7) . . ?
F17 C59 F16 106.4(8) . . ?
F18 C59 F16 107.5(8) . . ?
F17 C59 C58 109.6(8) . . ?
F18 C59 C58 112.7(7) . . ?
F16 C59 C58 113.8(7) . . ?
O13 C60 H60A 109.5 . . ?
O13 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O13 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O13 C61 C62 108.9(8) . . ?
O13 C61 H61A 109.9 . . ?
C62 C61 H61A 109.9 . . ?
O13 C61 H61B 109.9 . . ?
C62 C61 H61B 109.9 . . ?
H61A C61 H61B 108.3 . . ?
O14 C62 C61 107.7(8) . . ?
O14 C62 H62A 110.2 . . ?
C61 C62 H62A 110.2 . . ?
O14 C62 H62B 110.2 . . ?
C61 C62 H62B 110.2 . . ?
H62A C62 H62B 108.5 . . ?
O14 C63 H63A 109.5 . . ?
O14 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
O14 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
O15 C64 H64A 109.5 . . ?
O15 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
O15 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O15 C65 C66 106.5(10) . . ?
O15 C65 H65A 110.4 . . ?
C66 C65 H65A 110.4 . . ?
O15 C65 H65B 110.4 . . ?
C66 C65 H65B 110.4 . . ?
H65A C65 H65B 108.6 . . ?
O16 C66 C65 107.5(10) . . ?
O16 C66 H66A 110.2 . . ?
C65 C66 H66A 110.2 . . ?
O16 C66 H66B 110.2 . . ?
C65 C66 H66B 110.2 . . ?
H66A C66 H66B 108.5 . . ?
O16 C67 H67A 109.5 . . ?
O16 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
O16 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
F6 C68 F4 107.4(8) . . ?
F6 C68 F5 106.0(8) . . ?
F4 C68 F5 106.1(9) . . ?
F6 C68 C19 113.8(8) . . ?
F4 C68 C19 114.5(7) . . ?
F5 C68 C19 108.5(8) . . ?
F2 C1 F3 104.0(15) . . ?
F2 C1 F1 105.8(15) . . ?
F3 C1 F1 106.2(16) . . ?
F2 C1 C2 115.2(17) . . ?
F3 C1 C2 114.2(18) . . ?
F1 C1 C2 110.6(19) . . ?
F2' C1' F3' 108.7(16) . . ?
F2' C1' F1' 107.9(15) . . ?
F3' C1' F1' 105.8(15) . . ?
F2' C1' C2 108.9(16) . . ?
F3' C1' C2 109.5(17) . . ?
F1' C1' C2 115.7(19) . . ?

_refine_diff_density_max         1.968
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.133

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1424066'
_audit_update_record             
;
2015-12-18 deposited with the CCDC.
2015-12-30 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         ?
_chemical_formula_sum            'C82 H78 Dy2 F18 O25'
_chemical_formula_weight         2130.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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'
'-x, -y, -z'

_cell_length_a                   14.7143(3)
_cell_length_b                   15.2959(3)
_cell_length_c                   20.6256(5)
_cell_angle_alpha                82.262(2)
_cell_angle_beta                 72.683(2)
_cell_angle_gamma                80.0374(19)
_cell_volume                     4347.85(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150
_cell_measurement_reflns_used    17123
_cell_measurement_theta_min      3.1676
_cell_measurement_theta_max      28.2016

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_F_000             2128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    1.818
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_T_max  0.775
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_reflns_number            56299
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.174
_diffrn_reflns_theta_max         28.264
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.904
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             19478
_reflns_number_gt                14940
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          

#  eadp f16 f16'
#  eadp f18 f18'
#  eadp f17 f17'
#  eadp f4 f4'
#  eadp f5 f5'
#  eadp f6 f6'
#  eadp f10 f10'
#  eadp f11 f11'
#  eadp f12 f12'
#  eadp c69 c69'
#  eadp c70 c70'
#  eadp c71 c71'
#  eadp c72 c72'
#  eadp o19 o19'
#  eadp o20 o20'
#  eadp c77 c77'
#  eadp c81 c81'
#  eadp o24 o24'
#  eadp c74 c74'
#  eadp c82 c82'
#  eadp o25 o25'
#  eadp c79 c79'
#  eadp c80 c80'
#  eadp o23 o23'
#  eadp c78 c78'
#  eadp c73 c73'
#  eadp o22 o22'
#  eadp o21 o21'
#  eadp c75 c75'
#  eadp c76 c76'
#  dfix c75 o21 o21 c76 1.45
#  dfix c75' o21' o21' c76' 1.45
#  dfix c11 f17 c11 f17' c11 f18 c11 f18' 1.35
#  dfix c73 c79 2.2
#  dfix c58 f4 c58 f5 c58 f6 c58 f4' c58 f5' c58 f6'  1.35
#  dfix   c69 c70   1.45
#  dfix c73 o22 c79 o22 1.45
#  dfix o23 c80 o23 c78 1.45
#  dfix c69 c70  c71 c72 1.45
#  dfix c70 o19  o19 c71  c72 o20 o20 c69 1.45
#  dfix c69' c70' c71' c72' 1.45
#  dfix c70' o19' o19' c71' c72' o20' o20' c69' 1.45
#  dfix c77 c81 c81 o24 o24 c74 c74 c82 c82 o25 o25 c77 1.45
#  dfix c77' c81' c81' o24' o24' c74' c74' c82' c82' o25' o25' c77' 1.45
#  isor 0.01 c78 c79 c80 o22 o23 c78' c79' c80'  o22' o23'
#  delu 0.01 c78 c79 c80 c73 o22 o23 c78' c79' c80' c73' o22' o23'
#  dfix c79 c80 c80 o23 o23 c78 c78 c73 c73 o22 o22 c79 1.45
#  dfix c79' c80' c80' o23' o23' c78' c78' c73' c73' o22' o22' c79' 1.45
#  delu c75 c76 o21 o21' c75' c76' 0.01
#  isor c75 c76 o21 o21' c75' c76' 0.01
#  isor c73' c73 0.005
#  delu c23 o18 0.01
#  isor c77 c81' c81 o24 o24' c74 c74' c82 c82' o25 o25' c77' 0.01
#  delu c77 c81' c81 o24 o24' c74 c74' c82 c82' o25 o25' c77' 0.01
#  isor c69 c69'  c71 c71' c72 c72' o19 o19' o20 o20' 0.01
#  delu c69 c69'  c71 c71' c72 c72' o19 o19' o20 o20' 0.01
#  isor 0.02 f4 f5 f6 f4' f5' f6' f10 f10' f11 f11' f12 f12'
#  delu 0.02 f4 f5 f6 f4' f5' f6' f10 f10' f11 f11' f12 f12'
#  isor f16 f16' f17 f17' f18 f18' C23 0.01
#  isor c70 c70' O18 0.01
#  sadi f16 f17 f18 f17 f16 f18  f16' f17' f18' f17' f16' f18'
#  sadi f4 f5 f5 f6 f6 f4 f4' f5' f5' f6' f6' f4'
#  sadi f10 f11 f12 f11 f12 f10 f10' f11' f12' f11' f12' f10'
#  dfix h15a h80d_$1 2.15
#  eqiv $1  +x, -1+y, z
;
 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       'CrysAlis PRO (Agilent, 2011)'
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0337P)²+7.1880P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19478
_refine_ls_number_parameters     1234
_refine_ls_number_restraints     543
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.0966
_refine_ls_wR_factor_gt          0.0856
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.003
_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
Dy1 Dy 1.86802(2) -0.91315(2) 0.24607(2) 0.03382(6) Uani 1 1 d . . . . .
Dy2 Dy 1.24923(2) -0.30258(2) 0.23547(2) 0.03452(6) Uani 1 1 d . . . . .
F1 F 1.8305(3) -1.2092(2) 0.2085(2) 0.1113(15) Uani 1 1 d . . . . .
F2 F 1.7403(2) -1.1823(2) 0.1438(2) 0.0858(11) Uani 1 1 d . . . . .
F3 F 1.8869(3) -1.1636(3) 0.1077(2) 0.1156(16) Uani 1 1 d . . . . .
F7 F 1.4857(3) -0.1638(3) 0.04359(18) 0.1066(14) Uani 1 1 d . . . . .
F8 F 1.4260(3) -0.0590(2) 0.1052(2) 0.1008(13) Uani 1 1 d . . . . .
F9 F 1.5667(2) -0.1198(3) 0.0983(2) 0.0985(13) Uani 1 1 d . . . . .
F13 F 1.7469(4) -1.1319(3) 0.4409(3) 0.143(2) Uani 1 1 d . . . . .
F14 F 1.6004(3) -1.0801(2) 0.4596(2) 0.1293(19) Uani 1 1 d . . . . .
F15 F 1.6773(4) -1.1377(3) 0.3680(3) 0.1323(19) Uani 1 1 d . . . . .
F16 F 1.0139(10) -0.3642(8) 0.1375(6) 0.120(4) Uani 0.5 1 d D U P A 1
F17 F 1.0659(7) -0.5014(7) 0.1435(7) 0.140(3) Uani 0.5 1 d D U P A 1
F18 F 1.1072(7) -0.4227(7) 0.0477(5) 0.136(3) Uani 0.5 1 d D U P A 1
F18' F 1.0877(8) -0.4818(8) 0.0852(7) 0.136(3) Uani 0.5 1 d D U P A 2
F17' F 1.0202(7) -0.4367(8) 0.1824(5) 0.140(3) Uani 0.5 1 d D U P A 2
F16' F 1.0392(10) -0.3429(7) 0.0956(6) 0.120(4) Uani 0.5 1 d D U P A 2
C1 C 1.7038(4) -0.4713(3) 0.1288(3) 0.0645(15) Uani 1 1 d . . . . .
H1A H 1.6681 -0.4220 0.1121 0.077 Uiso 1 1 calc R U . . .
C2 C 1.2594(3) -0.4596(3) 0.1103(3) 0.0599(14) Uani 1 1 d . . . . .
H2A H 1.2578 -0.5067 0.0867 0.072 Uiso 1 1 calc R U . . .
C3 C 1.1094(3) -0.4719(3) 0.3583(3) 0.0552(13) Uani 1 1 d . . . . .
H3A H 1.0729 -0.5136 0.3864 0.066 Uiso 1 1 calc R U . . .
C4 C 1.5250(4) -0.6426(3) 0.0435(3) 0.0583(13) Uani 1 1 d . . . . .
H4A H 1.5293 -0.6883 0.0168 0.070 Uiso 1 1 calc R U . . .
C5 C 1.6562(3) -0.9205(3) 0.3984(3) 0.0527(12) Uani 1 1 d . . . . .
H5A H 1.5961 -0.9240 0.4295 0.063 Uiso 1 1 calc R U . . .
C6 C 1.5356(3) -0.8881(3) 0.1454(3) 0.0489(11) Uani 1 1 d . . . . .
H6A H 1.5696 -0.9276 0.1131 0.059 Uiso 1 1 calc R U . . .
C7 C 0.9614(4) -0.3627(4) 0.3904(4) 0.092(3) Uani 1 1 d . . . . .
C8 C 1.6882(4) -0.3842(4) 0.3182(4) 0.0794(19) Uani 1 1 d . . . . .
H8A H 1.7415 -0.3604 0.3197 0.095 Uiso 1 1 calc R U . . .
C9 C 1.1772(3) -0.4035(3) 0.1341(3) 0.0555(13) Uani 1 1 d . . . . .
C10 C 1.2219(7) -0.0476(7) 0.0218(4) 0.130(3) Uani 1 1 d . . . . .
H10A H 1.2414 -0.0139 -0.0222 0.156 Uiso 1 1 calc R U . . .
H10B H 1.2428 -0.0216 0.0543 0.156 Uiso 1 1 calc R U . . .
C11 C 1.0866(4) -0.4185(5) 0.1178(5) 0.111(3) Uani 1 1 d D . . . .
C12 C 1.9335(3) -0.6881(3) 0.2412(3) 0.0499(12) Uani 1 1 d . . . . .
H12A H 1.9427 -0.6312 0.2466 0.060 Uiso 1 1 calc R U . . .
C13 C 1.2066(3) -0.4999(2) 0.3234(2) 0.0391(9) Uani 1 1 d . . . . .
C14 C 1.2316(4) -0.6323(3) 0.4047(3) 0.0630(15) Uani 1 1 d . . . . .
H14A H 1.1846 -0.6040 0.4395 0.076 Uiso 1 1 calc R U . . .
C15 C 1.3467(4) -0.7580(3) 0.3676(3) 0.0616(14) Uani 1 1 d . . . . .
H15A H 1.3786 -0.8137 0.3779 0.074 Uiso 1 1 d DR U . . .
C16 C 1.4812(3) -0.1372(3) 0.1020(3) 0.0542(12) Uani 1 1 d . . . . .
C17 C 1.0680(3) -0.3858(3) 0.3521(3) 0.0504(12) Uani 1 1 d . . . . .
C18 C 1.6676(3) -0.9241(3) 0.2024(2) 0.0411(10) Uani 1 1 d . . . . .
C19 C 1.5755(3) -0.5935(3) 0.3838(3) 0.0503(11) Uani 1 1 d . . . . .
C20 C 1.6746(4) -0.4688(4) 0.3480(3) 0.0740(17) Uani 1 1 d . . . . .
H20A H 1.7194 -0.5022 0.3685 0.089 Uiso 1 1 calc R U . . .
C21 C 1.6823(5) -1.0868(4) 0.4126(4) 0.0782(19) Uani 1 1 d . . . . .
C22 C 1.7135(3) -0.9975(3) 0.3782(2) 0.0474(11) Uani 1 1 d . . . . .
C23 C 1.2657(7) -0.1414(8) 0.0167(6) 0.141(3) Uani 1 1 d . U . . .
H23A H 1.3352 -0.1445 0.0031 0.169 Uiso 1 1 calc R U . . .
H23B H 1.2468 -0.1740 0.0612 0.169 Uiso 1 1 calc R U . . .
C24 C 1.2525(3) -0.5918(3) 0.3393(2) 0.0412(10) Uani 1 1 d . . . . .
C25 C 1.2804(5) -0.7147(3) 0.4187(3) 0.0766(19) Uani 1 1 d . . . . .
H25A H 1.2679 -0.7408 0.4633 0.092 Uiso 1 1 calc R U . . .
C26 C 1.6177(3) -0.7538(3) 0.3986(2) 0.0427(10) Uani 1 1 d . . . . .
C27 C 1.4421(3) -0.5828(3) 0.0595(2) 0.0485(11) Uani 1 1 d . . . . .
H27A H 1.3906 -0.5882 0.0436 0.058 Uiso 1 1 calc R U . . .
C28 C 1.4479(3) -0.8403(3) 0.1418(3) 0.0587(13) Uani 1 1 d . . . . .
H28A H 1.4239 -0.8461 0.1058 0.070 Uiso 1 1 calc R U . . .
C29 C 1.3965(3) -0.7848(3) 0.1908(3) 0.0520(12) Uani 1 1 d . . . . .
H29A H 1.3377 -0.7534 0.1877 0.062 Uiso 1 1 calc R U . . .
C30 C 1.6018(4) -0.6353(3) 0.0669(3) 0.0570(13) Uani 1 1 d . . . . .
H30A H 1.6570 -0.6769 0.0562 0.068 Uiso 1 1 calc R U . . .
C31 C 2.1560(3) -1.0760(3) 0.2093(3) 0.0475(11) Uani 1 1 d . . . . .
H31A H 2.1450 -1.0441 0.1677 0.057 Uiso 1 1 calc R U . . .
H31B H 2.2223 -1.0744 0.2076 0.057 Uiso 1 1 calc R U . . .
C32 C 1.3475(3) -0.4483(3) 0.1203(2) 0.0404(10) Uani 1 1 d . . . . .
C33 C 1.5026(3) -0.2558(3) 0.1933(2) 0.0459(11) Uani 1 1 d . . . . .
H33A H 1.5672 -0.2487 0.1778 0.055 Uiso 1 1 calc R U . . .
C34 C 1.6804(3) -0.5558(3) 0.1294(2) 0.0454(11) Uani 1 1 d . . . . .
C35 C 1.5945(3) -0.5043(3) 0.3476(3) 0.0508(11) Uani 1 1 d . . . . .
C36 C 1.4296(3) -0.7741(3) 0.2451(2) 0.0411(10) Uani 1 1 d . . . . .
C37 C 1.7373(3) -0.6282(3) 0.1536(2) 0.0428(10) Uani 1 1 d . . . . .
H37A H 1.7240 -0.6855 0.1539 0.051 Uiso 1 1 calc R U . . .
C38 C 1.4735(3) -0.3196(3) 0.2487(2) 0.0416(10) Uani 1 1 d . . . . .
C39 C 1.5448(3) -0.3696(3) 0.2835(2) 0.0456(11) Uani 1 1 d . . . . .
C40 C 1.3204(3) -0.6362(3) 0.2877(2) 0.0394(9) Uani 1 1 d . . . . .
H40A H 1.3350 -0.6088 0.2435 0.047 Uiso 1 1 calc R U . . .
C41 C 1.8129(3) -0.6166(3) 0.1771(2) 0.0435(10) Uani 1 1 d . . . . .
C42 C 1.4352(3) -0.5144(3) 0.0992(2) 0.0397(9) Uani 1 1 d . . . . .
C43 C 1.8096(3) -1.1529(3) 0.1585(3) 0.0570(13) Uani 1 1 d . . . . .
C44 C 1.6360(3) -0.6710(3) 0.3641(2) 0.0433(10) Uani 1 1 d . . . . .
H44A H 1.6902 -0.6678 0.3270 0.052 Uiso 1 1 calc R U . . .
C45 C 1.3671(3) -0.7211(3) 0.3006(2) 0.0404(10) Uani 1 1 d . . . . .
C46 C 1.8332(4) -0.5304(3) 0.1762(3) 0.0615(15) Uani 1 1 d . . . . .
H46A H 1.8838 -0.5216 0.1918 0.074 Uiso 1 1 calc R U . . .
C47 C 1.7865(3) -1.0574(3) 0.1784(2) 0.0389(9) Uani 1 1 d . . . . .
C48 C 1.6238(4) -0.3344(3) 0.2862(3) 0.0638(15) Uani 1 1 d . . . . .
H48A H 1.6335 -0.2772 0.2665 0.077 Uiso 1 1 calc R U . . .
C49 C 1.6842(3) -0.8355(3) 0.3740(2) 0.0398(9) Uani 1 1 d . . . . .
C50 C 1.5136(3) -0.5071(3) 0.1218(2) 0.0426(10) Uani 1 1 d . . . . .
H50A H 1.5094 -0.4609 0.1481 0.051 Uiso 1 1 calc R U . . .
C51 C 1.4781(4) -0.6806(4) 0.4760(3) 0.087(2) Uani 1 1 d . . . . .
H51A H 1.4251 -0.6836 0.5141 0.104 Uiso 1 1 calc R U . . .
C52 C 1.9797(3) -1.1263(3) 0.2809(2) 0.0443(10) Uani 1 1 d . . . . .
H52A H 1.9129 -1.1312 0.2866 0.053 Uiso 1 1 calc R U . . .
H52B H 1.9972 -1.1566 0.3208 0.053 Uiso 1 1 calc R U . . .
C53 C 1.5720(3) -0.8761(3) 0.1978(2) 0.0409(10) Uani 1 1 d . . . . .
C54 C 1.6965(3) -1.0128(3) 0.1822(2) 0.0449(11) Uani 1 1 d . . . . .
H54A H 1.6526 -1.0410 0.1712 0.054 Uiso 1 1 calc R U . . .
C55 C 2.0413(3) -1.1691(3) 0.2189(2) 0.0438(10) Uani 1 1 d . . . . .
H55A H 2.0301 -1.2304 0.2222 0.053 Uiso 1 1 calc R U . . .
H55B H 2.0248 -1.1380 0.1789 0.053 Uiso 1 1 calc R U . . .
C56 C 1.4967(4) -0.6001(4) 0.4406(3) 0.0791(19) Uani 1 1 d . . . . .
H56A H 1.4554 -0.5487 0.4549 0.095 Uiso 1 1 calc R U . . .
C57 C 1.0925(5) -0.0883(5) -0.0023(4) 0.097(2) Uani 1 1 d . . . . .
H57A H 1.1089 -0.0554 -0.0468 0.116 Uiso 1 1 calc R U . . .
H57B H 1.0236 -0.0894 0.0118 0.116 Uiso 1 1 calc R U . . .
C58 C 2.0613(4) -0.7435(3) 0.2987(3) 0.0698(16) Uani 1 1 d D . . . .
C59 C 1.1413(7) -0.1781(6) -0.0074(6) 0.135(3) Uani 1 1 d . . . . .
H59A H 1.1226 -0.2120 0.0366 0.162 Uiso 1 1 calc R U . . .
H59B H 1.1223 -0.2059 -0.0399 0.162 Uiso 1 1 calc R U . . .
C60 C 1.7784(4) -0.4589(3) 0.1523(3) 0.0735(18) Uani 1 1 d . . . . .
H60A H 1.7918 -0.4016 0.1519 0.088 Uiso 1 1 calc R U . . .
C61 C 1.5386(4) -0.7572(3) 0.4548(3) 0.0648(15) Uani 1 1 d . . . . .
H61A H 1.5259 -0.8119 0.4786 0.078 Uiso 1 1 calc R U . . .
C62 C 1.8685(3) -0.6965(3) 0.2046(2) 0.0395(10) Uani 1 1 d . . . . .
C63 C 1.9834(3) -0.7598(3) 0.2689(2) 0.0430(10) Uani 1 1 d . . . . .
C64 C 1.5298(3) -0.4538(3) 0.3156(2) 0.0465(11) Uani 1 1 d . . . . .
H64A H 1.4753 -0.4768 0.3156 0.056 Uiso 1 1 calc R U . . .
C65 C 1.4400(3) -0.2040(3) 0.1614(2) 0.0385(9) Uani 1 1 d . . . . .
C66 C 1.5197(3) -0.8190(3) 0.2470(2) 0.0405(10) Uani 1 1 d . . . . .
H66A H 1.5451 -0.8106 0.2816 0.049 Uiso 1 1 calc R U . . .
C67 C 1.5981(3) -0.5671(3) 0.1059(2) 0.0441(10) Uani 1 1 d . . . . .
C68 C 2.0909(3) -1.0298(3) 0.2692(3) 0.0488(11) Uani 1 1 d . . . . .
H68A H 2.1056 -1.0581 0.3106 0.059 Uiso 1 1 calc R U . . .
H68B H 2.1015 -0.9681 0.2642 0.059 Uiso 1 1 calc R U . . .
C69' C 1.2495(14) 0.2741(11) 0.0583(11) 0.114(4) Uani 0.5 1 d D U P B 2
H69A H 1.2538 0.2871 0.1019 0.137 Uiso 0.5 1 calc R U P B 2
H69B H 1.3148 0.2587 0.0302 0.137 Uiso 0.5 1 calc R U P B 2
C70' C 1.2022(13) 0.1944(11) 0.0703(11) 0.112(4) Uani 0.5 1 d D U P B 2
H70A H 1.2359 0.1552 0.0348 0.134 Uiso 0.5 1 calc R U P B 2
H70B H 1.2070 0.1630 0.1135 0.134 Uiso 0.5 1 calc R U P B 2
O19' O 1.1028(14) 0.2138(13) 0.0715(10) 0.096(3) Uani 0.5 1 d D U P B 2
C71' C 1.0662(13) 0.3119(11) 0.0653(8) 0.103(4) Uani 0.5 1 d D U P B 2
H71A H 1.0004 0.3234 0.0627 0.124 Uiso 0.5 1 calc R U P B 2
H71B H 1.0720 0.3424 0.1018 0.124 Uiso 0.5 1 calc R U P B 2
C72' C 1.1369(12) 0.3343(13) -0.0016(8) 0.105(4) Uani 0.5 1 d D U P B 2
H72A H 1.1595 0.2843 -0.0294 0.126 Uiso 0.5 1 calc R U P B 2
H72B H 1.1121 0.3859 -0.0273 0.126 Uiso 0.5 1 calc R U P B 2
O20' O 1.2105(12) 0.3535(11) 0.0278(9) 0.103(3) Uani 0.5 1 d D U P B 2
C69 C 1.2567(14) 0.2441(12) 0.0311(9) 0.114(4) Uani 0.5 1 d D U P C 1
H69C H 1.3222 0.2379 0.0340 0.137 Uiso 0.5 1 calc R U P C 1
H69D H 1.2538 0.2027 0.0003 0.137 Uiso 0.5 1 calc R U P C 1
C70 C 1.1880(13) 0.2276(13) 0.1003(8) 0.112(4) Uani 0.5 1 d D U P C 1
H70C H 1.2128 0.1743 0.1244 0.134 Uiso 0.5 1 calc R U P C 1
H70D H 1.1793 0.2775 0.1271 0.134 Uiso 0.5 1 calc R U P C 1
O19 O 1.0998(15) 0.2172(14) 0.0904(10) 0.096(3) Uani 0.5 1 d D U P C 1
C71 C 1.0713(13) 0.2836(11) 0.0383(9) 0.103(4) Uani 0.5 1 d D U P C 1
H71C H 1.0841 0.2554 -0.0035 0.124 Uiso 0.5 1 calc R U P C 1
H71D H 1.0026 0.3030 0.0539 0.124 Uiso 0.5 1 calc R U P C 1
C72 C 1.1202(11) 0.3597(11) 0.0241(10) 0.105(4) Uani 0.5 1 d D U P C 1
H72C H 1.0982 0.3946 0.0632 0.126 Uiso 0.5 1 calc R U P C 1
H72D H 1.1051 0.3967 -0.0144 0.126 Uiso 0.5 1 calc R U P C 1
O20 O 1.2257(11) 0.3328(11) 0.0084(9) 0.103(3) Uani 0.5 1 d D U P C 1
O1 O 1.7933(2) -1.00701(19) 0.33482(18) 0.0559(9) Uani 1 1 d . . . . .
O2 O 1.2347(2) -0.2054(2) 0.32273(17) 0.0558(8) Uani 1 1 d . . . . .
H2B H 1.2360 -0.2332 0.3638 0.084 Uiso 1 1 d R U . . .
H2C H 1.1711 -0.1857 0.3277 0.084 Uiso 1 1 d R U . . .
O3 O 1.1625(2) -0.3396(2) 0.16975(18) 0.0535(8) Uani 1 1 d . . . . .
O4 O 1.1052(2) -0.31954(18) 0.31868(17) 0.0520(8) Uani 1 1 d . . . . .
O5 O 1.9965(2) -0.91756(19) 0.14078(16) 0.0507(8) Uani 1 1 d . . . . .
H5B H 2.0263 -0.9584 0.1061 0.076 Uiso 1 1 d R U . . .
H5C H 2.0310 -0.8695 0.1190 0.076 Uiso 1 1 d R U . . .
O6 O 1.1164(3) -0.0442(3) 0.0442(2) 0.0868(13) Uani 1 1 d . . . . .
O7 O 1.85717(19) -1.03005(18) 0.18855(17) 0.0437(7) Uani 1 1 d . . . . .
O8 O 1.35105(19) -0.20186(18) 0.17324(16) 0.0424(7) Uani 1 1 d . . . . .
O9 O 1.3897(2) -0.33798(19) 0.27054(16) 0.0460(7) Uani 1 1 d . . . . .
O10 O 1.71804(19) -0.88481(18) 0.22433(17) 0.0473(8) Uani 1 1 d . . . . .
O11 O 1.99163(19) -1.03331(17) 0.27469(16) 0.0428(7) Uani 1 1 d . . . . .
O12 O 1.25695(19) -0.45091(17) 0.27928(16) 0.0454(7) Uani 1 1 d . . . . .
O13 O 2.14134(19) -1.16683(17) 0.21213(16) 0.0409(7) Uani 1 1 d . . . . .
O14 O 1.8560(2) -0.77075(17) 0.19234(16) 0.0421(7) Uani 1 1 d . . . . .
O15 O 1.35474(18) -0.38348(18) 0.14924(15) 0.0401(7) Uani 1 1 d . . . . .
O16 O 1.7636(2) -0.82545(18) 0.33171(16) 0.0425(7) Uani 1 1 d . . . . .
O17 O 1.97569(19) -0.84135(17) 0.27286(16) 0.0423(7) Uani 1 1 d . . . . .
O18 O 1.2399(5) -0.1798(5) -0.0278(3) 0.141(2) Uani 1 1 d . U . . .
F4' F 2.0856(18) -0.6626(8) 0.2846(12) 0.123(6) Uani 0.5 1 d D U P D 2
F6' F 2.051(3) -0.7672(16) 0.3635(8) 0.106(4) Uani 0.5 1 d D U P D 2
F5' F 2.1404(10) -0.7973(13) 0.2676(16) 0.110(4) Uani 0.5 1 d D U P D 2
F4 F 2.0525(18) -0.6599(8) 0.3133(13) 0.123(6) Uani 0.5 1 d D U P D 1
F5 F 2.1496(10) -0.7689(13) 0.2658(16) 0.110(4) Uani 0.5 1 d D U P D 1
F6 F 2.049(3) -0.7915(15) 0.3596(8) 0.106(4) Uani 0.5 1 d D U P D 1
F10' F 0.912(3) -0.323(2) 0.3350(11) 0.126(5) Uani 0.5 1 d D U P E 2
F12' F 0.9116(16) -0.4279(16) 0.4118(12) 0.133(7) Uani 0.5 1 d D U P E 2
F11' F 0.936(2) -0.302(2) 0.4238(19) 0.126(6) Uani 0.5 1 d D U P E 2
F10 F 0.910(3) -0.330(2) 0.3616(12) 0.126(5) Uani 0.5 1 d D U P E 1
F11 F 0.961(2) -0.292(2) 0.4340(19) 0.126(6) Uani 0.5 1 d D U P E 1
F12 F 0.9332(15) -0.4224(16) 0.4426(12) 0.133(7) Uani 0.5 1 d D U P E 1
O24' O 0.7863(12) -0.7117(11) 0.5547(7) 0.131(4) Uani 0.5 1 d D U P F 2
O25' O 0.7915(9) -0.5889(8) 0.4447(7) 0.125(3) Uani 0.5 1 d D U P F 2
C74' C 0.7960(16) -0.7345(13) 0.4849(9) 0.131(4) Uani 0.5 1 d D U P F 2
H74A H 0.8301 -0.7941 0.4773 0.158 Uiso 0.5 1 calc R U P F 2
H74B H 0.7339 -0.7297 0.4765 0.158 Uiso 0.5 1 calc R U P F 2
C77' C 0.7246(16) -0.5742(13) 0.5111(10) 0.131(4) Uani 0.5 1 d D U P F 2
H77A H 0.7528 -0.5397 0.5343 0.157 Uiso 0.5 1 calc R U P F 2
H77B H 0.6668 -0.5378 0.5042 0.157 Uiso 0.5 1 calc R U P F 2
C81' C 0.6970(17) -0.6495(15) 0.5549(13) 0.145(4) Uani 0.5 1 d D U P F 2
H81A H 0.6542 -0.6773 0.5390 0.173 Uiso 0.5 1 calc R U P F 2
H81B H 0.6640 -0.6328 0.6007 0.173 Uiso 0.5 1 calc R U P F 2
C82' C 0.8490(13) -0.6704(12) 0.4453(10) 0.130(4) Uani 0.5 1 d D U P F 2
H82A H 0.9016 -0.6657 0.4634 0.156 Uiso 0.5 1 calc R U P F 2
H82B H 0.8761 -0.6875 0.3991 0.156 Uiso 0.5 1 calc R U P F 2
O24 O 0.7565(11) -0.7361(11) 0.5418(8) 0.131(4) Uani 0.5 1 d D U P G 1
O25 O 0.7878(10) -0.5644(9) 0.4897(7) 0.125(3) Uani 0.5 1 d D U P G 1
C74 C 0.8513(13) -0.7191(12) 0.4906(11) 0.131(4) Uani 0.5 1 d D U P G 1
H74C H 0.9030 -0.7561 0.5058 0.158 Uiso 0.5 1 calc R U P G 1
H74D H 0.8529 -0.7382 0.4473 0.158 Uiso 0.5 1 calc R U P G 1
C77 C 0.7270(14) -0.5956(13) 0.5542(9) 0.131(4) Uani 0.5 1 d D U P G 1
H77C H 0.6800 -0.5475 0.5754 0.157 Uiso 0.5 1 calc R U P G 1
H77D H 0.7643 -0.6229 0.5851 0.157 Uiso 0.5 1 calc R U P G 1
C81 C 0.6814(17) -0.6604(14) 0.5351(14) 0.145(4) Uani 0.5 1 d D U P G 1
H81C H 0.6761 -0.6476 0.4889 0.173 Uiso 0.5 1 calc R U P G 1
H81D H 0.6190 -0.6680 0.5667 0.173 Uiso 0.5 1 calc R U P G 1
C82 C 0.8706(12) -0.6284(11) 0.4796(10) 0.130(4) Uani 0.5 1 d D U P G 1
H82C H 0.9068 -0.6201 0.5101 0.156 Uiso 0.5 1 calc R U P G 1
H82D H 0.9107 -0.6182 0.4332 0.156 Uiso 0.5 1 calc R U P G 1
O22 O 1.3174(10) -0.0613(10) 0.3132(7) 0.129(3) Uani 0.5 1 d D U P H 1
C78 C 1.4619(13) -0.0525(13) 0.3404(9) 0.130(4) Uani 0.5 1 d D U P H 1
H78A H 1.5270 -0.0387 0.3211 0.156 Uiso 0.5 1 calc R U P H 1
H78B H 1.4654 -0.1131 0.3617 0.156 Uiso 0.5 1 calc R U P H 1
O23 O 1.4093(10) 0.0080(10) 0.3911(7) 0.143(3) Uani 0.5 1 d D U P H 1
C79 C 1.2747(15) -0.0010(15) 0.3649(10) 0.135(4) Uani 0.5 1 d D U P H 1
H79A H 1.2801 0.0591 0.3435 0.163 Uiso 0.5 1 calc R U P H 1
H79B H 1.2067 -0.0061 0.3817 0.163 Uiso 0.5 1 calc R U P H 1
C80 C 1.3113(13) -0.0111(16) 0.4209(11) 0.130(4) Uani 0.5 1 d D U P H 1
H80A H 1.3103 -0.0713 0.4428 0.156 Uiso 0.5 1 calc R U P H 1
H80B H 1.2749 0.0306 0.4540 0.156 Uiso 0.5 1 calc R U P H 1
C73 C 1.4172(10) -0.0457(13) 0.2887(8) 0.112(3) Uani 0.5 1 d D U P H 1
H73A H 1.4526 -0.0886 0.2563 0.134 Uiso 0.5 1 calc R U P H 1
H73B H 1.4200 0.0133 0.2648 0.134 Uiso 0.5 1 calc R U P H 1
O23' O 1.3872(11) -0.0668(9) 0.4097(7) 0.143(3) Uani 0.5 1 d D U P I 2
O22' O 1.3384(10) -0.0032(8) 0.2895(7) 0.129(3) Uani 0.5 1 d D U P I 2
C73' C 1.3757(15) -0.0937(10) 0.3017(10) 0.112(3) Uani 0.5 1 d D U P I 2
H73C H 1.3222 -0.1276 0.3196 0.134 Uiso 0.5 1 calc R U P I 2
H73D H 1.4136 -0.1157 0.2584 0.134 Uiso 0.5 1 calc R U P I 2
C78' C 1.4328(13) -0.1104(13) 0.3468(9) 0.130(4) Uani 0.5 1 d D U P I 2
H78C H 1.4941 -0.0895 0.3246 0.156 Uiso 0.5 1 calc R U P I 2
H78D H 1.4453 -0.1742 0.3580 0.156 Uiso 0.5 1 calc R U P I 2
C79' C 1.2760(17) 0.0315(16) 0.3523(10) 0.135(4) Uani 0.5 1 d D U P I 2
H79C H 1.2559 0.0950 0.3448 0.163 Uiso 0.5 1 calc R U P I 2
H79D H 1.2192 0.0018 0.3688 0.163 Uiso 0.5 1 calc R U P I 2
C80' C 1.3304(16) 0.0147(10) 0.3996(13) 0.130(4) Uani 0.5 1 d D U P I 2
H80C H 1.2906 0.0348 0.4430 0.156 Uiso 0.5 1 d R U P I 2
H80D H 1.3786 0.0542 0.3811 0.156 Uiso 0.5 1 d R U P I 2
C75 C 1.0103(18) 0.069(3) 0.528(2) 0.141(5) Uani 0.5 1 d D U P J 1
H75A H 1.0034 0.1001 0.5678 0.170 Uiso 0.5 1 calc R U P J 1
H75B H 1.0422 0.1050 0.4883 0.170 Uiso 0.5 1 calc R U P J 1
C76 C 0.922(2) 0.022(2) 0.4664(15) 0.142(6) Uani 0.5 1 d D U P J 1
H76A H 0.9490 0.0580 0.4249 0.171 Uiso 0.5 1 calc R U P J 1
H76B H 0.8589 0.0114 0.4666 0.171 Uiso 0.5 1 calc R U P J 1
O21 O 0.9172(13) 0.0635(16) 0.5241(13) 0.141(4) Uani 0.5 1 d D U P J 1
C75' C 1.0436(18) 0.063(3) 0.523(2) 0.141(5) Uani 0.5 1 d D U P K 2
H75C H 1.0503 0.0958 0.5577 0.170 Uiso 0.5 1 calc R U P K 2
H75D H 1.0919 0.0755 0.4799 0.170 Uiso 0.5 1 calc R U P K 2
C76' C 0.956(2) 0.033(2) 0.4570(14) 0.142(6) Uani 0.5 1 d D U P K 2
H76C H 1.0153 0.0429 0.4219 0.171 Uiso 0.5 1 calc R U P K 2
H76D H 0.9026 0.0561 0.4384 0.171 Uiso 0.5 1 calc R U P K 2
O21' O 0.9483(13) 0.0791(16) 0.5154(13) 0.141(4) Uani 0.5 1 d D U P K 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.293(3) . ?
Dy1 O17 2.304(3) . ?
Dy1 O14 2.310(3) . ?
Dy1 O7 2.327(3) . ?
Dy1 O10 2.338(3) . ?
Dy1 O16 2.364(3) . ?
Dy1 O5 2.418(3) . ?
Dy1 O11 2.495(3) . ?
Dy2 O3 2.297(3) . ?
Dy2 O8 2.321(3) . ?
Dy2 O15 2.321(3) . ?
Dy2 O12 2.323(3) . ?
Dy2 O4 2.326(3) . ?
Dy2 O9 2.343(3) . ?
Dy2 O2 2.425(3) . ?
Dy2 O13 2.472(2) 1_465 ?
F1 C43 1.326(6) . ?
F2 C43 1.309(5) . ?
F3 C43 1.301(6) . ?
F7 C16 1.303(6) . ?
F8 C16 1.323(6) . ?
F9 C16 1.308(5) . ?
F13 C21 1.309(8) . ?
F14 C21 1.299(7) . ?
F15 C21 1.308(8) . ?
F16 C11 1.234(12) . ?
F17 C11 1.355(10) . ?
F18 C11 1.393(11) . ?
F18' C11 1.245(9) . ?
F17' C11 1.423(11) . ?
F16' C11 1.343(13) . ?
C1 C60 1.374(7) . ?
C1 C34 1.391(6) . ?
C2 C9 1.356(6) . ?
C2 C32 1.415(6) . ?
C3 C17 1.359(6) . ?
C3 C13 1.416(6) . ?
C4 C27 1.374(6) . ?
C4 C30 1.380(7) . ?
C5 C22 1.360(6) . ?
C5 C49 1.414(6) . ?
C6 C28 1.386(6) . ?
C6 C53 1.387(6) . ?
C7 F10 1.10(3) . ?
C7 F11' 1.18(3) . ?
C7 F12' 1.29(2) . ?
C7 F12 1.33(2) . ?
C7 F11 1.50(3) . ?
C7 F10' 1.53(2) . ?
C7 C17 1.535(7) . ?
C8 C20 1.376(7) . ?
C8 C48 1.379(7) . ?
C9 O3 1.253(5) . ?
C9 C11 1.529(7) . ?
C10 C23 1.471(12) . ?
C10 O6 1.476(9) . ?
C12 C63 1.368(6) . ?
C12 C62 1.413(6) . ?
C13 O12 1.243(5) . ?
C13 C24 1.489(5) . ?
C14 C24 1.376(6) . ?
C14 C25 1.378(7) . ?
C15 C25 1.361(7) . ?
C15 C45 1.385(7) . ?
C16 C65 1.532(6) . ?
C17 O4 1.257(5) . ?
C18 O10 1.242(5) . ?
C18 C54 1.429(6) . ?
C18 C53 1.494(5) . ?
C19 C44 1.383(6) . ?
C19 C56 1.387(7) . ?
C19 C35 1.494(6) . ?
C20 C35 1.383(7) . ?
C21 C22 1.531(6) . ?
C22 O1 1.246(5) . ?
C23 O18 1.328(11) . ?
C24 C40 1.385(6) . ?
C26 C61 1.379(6) . ?
C26 C44 1.395(6) . ?
C26 C49 1.494(6) . ?
C27 C42 1.386(6) . ?
C28 C29 1.368(7) . ?
C29 C36 1.385(6) . ?
C30 C67 1.387(7) . ?
C31 O13 1.434(5) . ?
C31 C68 1.498(6) . ?
C32 O15 1.258(5) . ?
C32 C42 1.486(5) . ?
C33 C65 1.370(6) . ?
C33 C38 1.411(6) . ?
C34 C37 1.398(5) . ?
C34 C67 1.475(6) . ?
C35 C64 1.385(6) . ?
C36 C66 1.393(5) . ?
C36 C45 1.476(6) . ?
C37 C41 1.384(6) . ?
C38 O9 1.248(5) . ?
C38 C39 1.492(6) . ?
C39 C48 1.382(6) . ?
C39 C64 1.387(6) . ?
C40 C45 1.392(5) . ?
C41 C46 1.398(6) . ?
C41 C62 1.493(5) . ?
C42 C50 1.392(6) . ?
C43 C47 1.525(6) . ?
C46 C60 1.369(6) . ?
C47 O7 1.266(5) . ?
C47 C54 1.366(5) . ?
C49 O16 1.252(5) . ?
C50 C67 1.393(5) . ?
C51 C56 1.372(8) . ?
C51 C61 1.379(7) . ?
C52 O11 1.447(5) . ?
C52 C55 1.488(6) . ?
C53 C66 1.387(6) . ?
C55 O13 1.443(5) . ?
C57 O6 1.397(8) . ?
C57 C59 1.437(10) . ?
C58 F5 1.293(14) . ?
C58 F6' 1.306(15) . ?
C58 F4' 1.318(14) . ?
C58 F4 1.328(14) . ?
C58 F6 1.345(14) . ?
C58 F5' 1.345(14) . ?
C58 C63 1.522(7) . ?
C59 O18 1.381(11) . ?
C62 O14 1.252(5) . ?
C63 O17 1.261(5) . ?
C65 O8 1.254(5) . ?
C68 O11 1.440(5) . ?
C69' O20' 1.402(15) . ?
C69' C70' 1.462(15) . ?
C70' O19' 1.435(16) . ?
O19' C71' 1.505(17) . ?
C71' C72' 1.498(16) . ?
C72' O20' 1.474(16) . ?
C69 O20 1.417(15) . ?
C69 C70 1.503(13) . ?
C70 O19 1.411(16) . ?
O19 C71 1.480(16) . ?
C71 C72 1.425(15) . ?
C72 O20 1.484(16) . ?
O13 Dy2 2.472(2) 1_645 ?
O24' C81' 1.481(17) . ?
O24' C74' 1.485(16) . ?
O25' C82' 1.380(15) . ?
O25' C77' 1.449(15) . ?
C74' C82' 1.382(16) . ?
C77' C81' 1.404(17) . ?
O24 C81 1.479(16) . ?
O24 C74 1.518(16) . ?
O25 C82 1.406(15) . ?
O25 C77 1.438(16) . ?
C74 C82 1.438(16) . ?
C77 C81 1.442(17) . ?
O22 C79 1.430(12) . ?
O22 C73 1.454(12) . ?
C78 C73 1.396(15) . ?
C78 O23 1.442(12) . ?
O23 C80 1.454(13) . ?
C79 C80 1.394(16) . ?
O23' C80' 1.403(15) . ?
O23' C78' 1.462(15) . ?
O22' C73' 1.415(14) . ?
O22' C79' 1.453(16) . ?
C73' C78' 1.402(16) . ?
C79' C80' 1.409(17) . ?
C75 O21 1.416(17) . ?
C75 C76 1.57(5) 2_756 ?
C76 O21 1.403(16) . ?
C76 C75 1.57(5) 2_756 ?
C75' O21' 1.429(16) . ?
C75' C76' 1.48(5) 2_756 ?
C76' O21' 1.441(17) . ?
C76' C75' 1.48(5) 2_756 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O17 112.97(12) . . ?
O1 Dy1 O14 144.51(10) . . ?
O17 Dy1 O14 73.53(10) . . ?
O1 Dy1 O7 78.76(12) . . ?
O17 Dy1 O7 143.10(10) . . ?
O14 Dy1 O7 117.99(11) . . ?
O1 Dy1 O10 83.74(12) . . ?
O17 Dy1 O10 140.86(9) . . ?
O14 Dy1 O10 73.40(10) . . ?
O7 Dy1 O10 72.68(9) . . ?
O1 Dy1 O16 71.76(10) . . ?
O17 Dy1 O16 79.09(10) . . ?
O14 Dy1 O16 75.71(10) . . ?
O7 Dy1 O16 136.51(10) . . ?
O10 Dy1 O16 72.95(10) . . ?
O1 Dy1 O5 140.34(10) . . ?
O17 Dy1 O5 79.41(11) . . ?
O14 Dy1 O5 74.39(10) . . ?
O7 Dy1 O5 71.54(10) . . ?
O10 Dy1 O5 110.82(11) . . ?
O16 Dy1 O5 147.03(10) . . ?
O1 Dy1 O11 71.15(10) . . ?
O17 Dy1 O11 74.26(9) . . ?
O14 Dy1 O11 140.10(9) . . ?
O7 Dy1 O11 77.42(9) . . ?
O10 Dy1 O11 144.06(9) . . ?
O16 Dy1 O11 120.02(10) . . ?
O5 Dy1 O11 77.09(10) . . ?
O3 Dy2 O8 110.11(12) . . ?
O3 Dy2 O15 71.84(10) . . ?
O8 Dy2 O15 76.54(10) . . ?
O3 Dy2 O12 86.11(11) . . ?
O8 Dy2 O12 139.56(9) . . ?
O15 Dy2 O12 73.92(10) . . ?
O3 Dy2 O4 80.17(12) . . ?
O8 Dy2 O4 145.22(10) . . ?
O15 Dy2 O4 136.96(10) . . ?
O12 Dy2 O4 72.14(9) . . ?
O3 Dy2 O9 146.02(10) . . ?
O8 Dy2 O9 73.75(10) . . ?
O15 Dy2 O9 76.67(10) . . ?
O12 Dy2 O9 73.03(10) . . ?
O4 Dy2 O9 116.66(11) . . ?
O3 Dy2 O2 140.93(10) . . ?
O8 Dy2 O2 79.87(11) . . ?
O15 Dy2 O2 145.51(10) . . ?
O12 Dy2 O2 111.06(11) . . ?
O4 Dy2 O2 72.92(12) . . ?
O9 Dy2 O2 72.77(11) . . ?
O3 Dy2 O13 72.77(10) . 1_465 ?
O8 Dy2 O13 74.98(9) . 1_465 ?
O15 Dy2 O13 122.46(10) . 1_465 ?
O12 Dy2 O13 145.04(9) . 1_465 ?
O4 Dy2 O13 76.93(10) . 1_465 ?
O9 Dy2 O13 137.43(10) . 1_465 ?
O2 Dy2 O13 73.90(10) . 1_465 ?
C60 C1 C34 121.6(4) . . ?
C9 C2 C32 121.8(4) . . ?
C17 C3 C13 121.9(4) . . ?
C27 C4 C30 120.6(5) . . ?
C22 C5 C49 122.6(4) . . ?
C28 C6 C53 119.1(4) . . ?
F11' C7 F12' 115.0(18) . . ?
F10 C7 F12 119.4(19) . . ?
F10 C7 F11 103(2) . . ?
F12 C7 F11 94.7(15) . . ?
F11' C7 F10' 96.9(17) . . ?
F12' C7 F10' 95.3(14) . . ?
F10 C7 C17 119.2(17) . . ?
F11' C7 C17 120.3(15) . . ?
F12' C7 C17 117.3(12) . . ?
F12 C7 C17 111.8(11) . . ?
F11 C7 C17 103.6(13) . . ?
F10' C7 C17 105.0(14) . . ?
C20 C8 C48 120.8(5) . . ?
O3 C9 C2 129.4(4) . . ?
O3 C9 C11 112.7(4) . . ?
C2 C9 C11 118.0(5) . . ?
C23 C10 O6 108.4(7) . . ?
F18' C11 F16' 111.4(9) . . ?
F16 C11 F17 108.7(9) . . ?
F16 C11 F18 109.6(9) . . ?
F17 C11 F18 102.9(7) . . ?
F18' C11 F17' 103.9(9) . . ?
F16' C11 F17' 100.0(7) . . ?
F16 C11 C9 116.6(8) . . ?
F18' C11 C9 121.0(7) . . ?
F16' C11 C9 112.7(8) . . ?
F17 C11 C9 109.2(7) . . ?
F18 C11 C9 108.9(7) . . ?
F17' C11 C9 104.9(7) . . ?
C63 C12 C62 123.0(4) . . ?
O12 C13 C3 123.0(4) . . ?
O12 C13 C24 117.2(4) . . ?
C3 C13 C24 119.8(4) . . ?
C24 C14 C25 120.0(5) . . ?
C25 C15 C45 121.4(4) . . ?
F7 C16 F9 107.4(5) . . ?
F7 C16 F8 105.2(5) . . ?
F9 C16 F8 105.2(4) . . ?
F7 C16 C65 111.5(4) . . ?
F9 C16 C65 115.2(4) . . ?
F8 C16 C65 111.8(4) . . ?
O4 C17 C3 128.9(4) . . ?
O4 C17 C7 113.3(4) . . ?
C3 C17 C7 117.9(4) . . ?
O10 C18 C54 123.1(4) . . ?
O10 C18 C53 118.0(4) . . ?
C54 C18 C53 118.9(4) . . ?
C44 C19 C56 117.9(4) . . ?
C44 C19 C35 122.1(4) . . ?
C56 C19 C35 120.0(4) . . ?
C8 C20 C35 120.2(5) . . ?
F14 C21 F15 108.1(6) . . ?
F14 C21 F13 107.4(6) . . ?
F15 C21 F13 104.8(6) . . ?
F14 C21 C22 114.4(5) . . ?
F15 C21 C22 111.3(6) . . ?
F13 C21 C22 110.4(5) . . ?
O1 C22 C5 128.5(4) . . ?
O1 C22 C21 112.2(4) . . ?
C5 C22 C21 119.3(4) . . ?
O18 C23 C10 112.3(8) . . ?
C14 C24 C40 119.2(4) . . ?
C14 C24 C13 121.3(4) . . ?
C40 C24 C13 119.5(4) . . ?
C15 C25 C14 120.4(5) . . ?
C61 C26 C44 118.6(4) . . ?
C61 C26 C49 122.2(4) . . ?
C44 C26 C49 119.2(4) . . ?
C4 C27 C42 120.0(5) . . ?
C29 C28 C6 120.2(5) . . ?
C28 C29 C36 121.9(4) . . ?
C4 C30 C67 121.1(4) . . ?
O13 C31 C68 112.4(4) . . ?
O15 C32 C2 121.7(4) . . ?
O15 C32 C42 116.9(4) . . ?
C2 C32 C42 121.3(4) . . ?
C65 C33 C38 123.1(4) . . ?
C1 C34 C37 117.3(4) . . ?
C1 C34 C67 120.6(4) . . ?
C37 C34 C67 122.1(4) . . ?
C20 C35 C64 118.8(4) . . ?
C20 C35 C19 120.6(4) . . ?
C64 C35 C19 120.5(4) . . ?
C29 C36 C66 117.8(4) . . ?
C29 C36 C45 119.8(4) . . ?
C66 C36 C45 122.2(4) . . ?
C41 C37 C34 121.6(4) . . ?
O9 C38 C33 123.3(4) . . ?
O9 C38 C39 116.8(4) . . ?
C33 C38 C39 120.0(4) . . ?
C48 C39 C64 119.0(4) . . ?
C48 C39 C38 122.4(4) . . ?
C64 C39 C38 118.6(4) . . ?
C24 C40 C45 121.3(4) . . ?
C37 C41 C46 119.1(4) . . ?
C37 C41 C62 118.9(4) . . ?
C46 C41 C62 122.0(4) . . ?
C27 C42 C50 118.9(4) . . ?
C27 C42 C32 123.6(4) . . ?
C50 C42 C32 117.5(4) . . ?
F3 C43 F2 108.6(5) . . ?
F3 C43 F1 104.0(4) . . ?
F2 C43 F1 106.1(5) . . ?
F3 C43 C47 111.5(4) . . ?
F2 C43 C47 115.0(4) . . ?
F1 C43 C47 110.9(4) . . ?
C19 C44 C26 121.5(4) . . ?
C15 C45 C40 117.6(4) . . ?
C15 C45 C36 120.3(4) . . ?
C40 C45 C36 121.8(4) . . ?
C60 C46 C41 119.9(5) . . ?
O7 C47 C54 128.8(4) . . ?
O7 C47 C43 112.9(3) . . ?
C54 C47 C43 118.3(4) . . ?
C8 C48 C39 119.9(5) . . ?
O16 C49 C5 122.5(4) . . ?
O16 C49 C26 117.8(4) . . ?
C5 C49 C26 119.7(4) . . ?
C42 C50 C67 121.7(4) . . ?
C56 C51 C61 119.5(5) . . ?
O11 C52 C55 110.1(3) . . ?
C66 C53 C6 120.2(4) . . ?
C66 C53 C18 119.0(4) . . ?
C6 C53 C18 120.8(4) . . ?
C47 C54 C18 122.1(4) . . ?
O13 C55 C52 110.1(4) . . ?
C51 C56 C19 121.6(5) . . ?
O6 C57 C59 112.4(7) . . ?
F6' C58 F4' 108.9(13) . . ?
F5 C58 F4 109.2(11) . . ?
F5 C58 F6 104.6(12) . . ?
F4 C58 F6 104.3(12) . . ?
F6' C58 F5' 103.7(12) . . ?
F4' C58 F5' 105.0(11) . . ?
F5 C58 C63 117.4(12) . . ?
F6' C58 C63 117.4(16) . . ?
F4' C58 C63 115.3(14) . . ?
F4 C58 C63 113.2(14) . . ?
F6 C58 C63 106.8(15) . . ?
F5' C58 C63 104.9(11) . . ?
O18 C59 C57 111.2(8) . . ?
C46 C60 C1 120.5(5) . . ?
C26 C61 C51 120.9(5) . . ?
O14 C62 C12 122.0(4) . . ?
O14 C62 C41 116.5(4) . . ?
C12 C62 C41 121.5(4) . . ?
O17 C63 C12 128.9(4) . . ?
O17 C63 C58 112.6(4) . . ?
C12 C63 C58 118.5(4) . . ?
C35 C64 C39 121.3(4) . . ?
O8 C65 C33 129.7(4) . . ?
O8 C65 C16 112.6(4) . . ?
C33 C65 C16 117.7(4) . . ?
C53 C66 C36 120.7(4) . . ?
C30 C67 C50 117.7(4) . . ?
C30 C67 C34 122.2(4) . . ?
C50 C67 C34 120.0(4) . . ?
O11 C68 C31 110.8(4) . . ?
O20' C69' C70' 120.2(17) . . ?
O19' C70' C69' 113.2(17) . . ?
C70' O19' C71' 113.9(18) . . ?
C72' C71' O19' 96.7(14) . . ?
O20' C72' C71' 95.9(14) . . ?
C69' O20' C72' 109.1(16) . . ?
O20 C69 C70 104.8(15) . . ?
O19 C70 C69 107.3(17) . . ?
C70 O19 C71 113.2(17) . . ?
C72 C71 O19 113.4(17) . . ?
C71 C72 O20 111.0(15) . . ?
C69 O20 C72 116.1(16) . . ?
C22 O1 Dy1 132.0(3) . . ?
C9 O3 Dy2 131.2(3) . . ?
C17 O4 Dy2 133.9(3) . . ?
C57 O6 C10 106.7(5) . . ?
C47 O7 Dy1 132.5(3) . . ?
C65 O8 Dy2 131.1(3) . . ?
C38 O9 Dy2 136.0(3) . . ?
C18 O10 Dy1 138.0(3) . . ?
C68 O11 C52 107.4(3) . . ?
C68 O11 Dy1 129.2(2) . . ?
C52 O11 Dy1 121.2(2) . . ?
C13 O12 Dy2 138.9(3) . . ?
C31 O13 C55 108.9(3) . . ?
C31 O13 Dy2 127.5(2) . 1_645 ?
C55 O13 Dy2 121.5(2) . 1_645 ?
C62 O14 Dy1 134.5(3) . . ?
C32 O15 Dy2 133.1(3) . . ?
C49 O16 Dy1 132.6(3) . . ?
C63 O17 Dy1 131.6(3) . . ?
C23 O18 C59 109.3(8) . . ?
C81' O24' C74' 91.3(16) . . ?
C82' O25' C77' 111.7(14) . . ?
C82' C74' O24' 101.3(16) . . ?
C81' C77' O25' 117.6(18) . . ?
C77' C81' O24' 106.8(19) . . ?
O25' C82' C74' 110.3(16) . . ?
C81 O24 C74 109.4(16) . . ?
C82 O25 C77 103.6(14) . . ?
C82 C74 O24 116.0(16) . . ?
O25 C77 C81 102.4(17) . . ?
C77 C81 O24 94.9(16) . . ?
O25 C82 C74 114.2(16) . . ?
C79 O22 C73 104.0(12) . . ?
C73 C78 O23 110.6(15) . . ?
C78 O23 C80 110.7(15) . . ?
C80 C79 O22 117.8(19) . . ?
C79 C80 O23 103.3(18) . . ?
C78 C73 O22 113.6(15) . . ?
C80' O23' C78' 112.9(16) . . ?
C73' O22' C79' 110.6(16) . . ?
C78' C73' O22' 115.6(16) . . ?
C73' C78' O23' 112.2(16) . . ?
C80' C79' O22' 106.2(19) . . ?
O23' C80' C79' 124.0(18) . . ?
O21 C75 C76 117(3) . 2_756 ?
O21 C76 C75 105(2) . 2_756 ?
C76 O21 C75 111(2) . . ?
O21' C75' C76' 95(2) . 2_756 ?
O21' C76' C75' 109(3) . 2_756 ?
C75' O21' C76' 104(2) . . ?

_refine_diff_density_max         1.174
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.088

