# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_dyocf3bph4
_database_code_depnum_ccdc_archive 'CCDC 2071552'
loop_
_audit_author_name
_audit_author_address
'Anton Cherkasov'
;IOMC RAS
Russia
;
_audit_update_record             
;
2021-03-19 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;

_vrf_PLAT088_dyocf3bph4          
;
RESPONSE:
The experimental data were integrated and reducted as a 2-component twin
with a domain ratio of 0.9 to 0.1, but the second domain (I/s = 0.7,
Rint = 0.468) was not included to the final structural model.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H32 Dy F18 O6, C24 H20 B, 0.5(C4 H8 O)'
_chemical_formula_sum            'C50 H56 B Dy F18 O6.50'
_chemical_formula_weight         1276.25

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   19.0304(2)
_cell_length_b                   24.9486(3)
_cell_length_c                   22.2887(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10582.27(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    35677
_cell_measurement_theta_min      2.2790
_cell_measurement_theta_max      25.9210

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_F_000             5128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    1.524
_shelx_estimated_absorpt_T_min   0.567
_shelx_estimated_absorpt_T_max   0.761
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
CrysAlis Pro 1.171.41.95a. Numerical absorption correction based on gaussian
integration over a multifaceted crystal model. Empirical absorption correction
using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Rigaku OD Xcalibur (CCD)'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            128769
_diffrn_reflns_av_unetI/netI     0.0638
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.118
_diffrn_reflns_theta_max         26.024
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10688
_reflns_number_gt                7455
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlis Pro 1.171.41.95a'
_computing_cell_refinement       'CrysAlis Pro 1.171.41.95a'
_computing_data_reduction        'CrysAlis Pro 1.171.41.95a'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL 2018/3'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0578P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10688
_refine_ls_number_parameters     1104
_refine_ls_number_restraints     1299
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.1036
_refine_ls_wR_factor_gt          0.0987
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1A Dy 0.03356(2) 0.250000 -0.07821(2) 0.01992(9) Uani 1 2 d S T P . .
O1A O 0.1379(2) 0.250000 -0.0433(2) 0.0251(10) Uani 1 2 d S T P A .
C1A C 0.2074(3) 0.250000 -0.0309(2) 0.0313(15) Uani 1 2 d DS T P . .
C2A C 0.2179(3) 0.1919(2) -0.0037(3) 0.029(2) Uani 0.5 1 d D . P A 1
F1A F 0.1889(6) 0.1941(6) 0.0508(5) 0.043(3) Uani 0.5 1 d D . P A 1
F2A F 0.2839(3) 0.1739(3) 0.0039(3) 0.0420(16) Uani 0.5 1 d D . P A 1
F3A F 0.1846(3) 0.1506(2) -0.0306(3) 0.0373(14) Uani 0.5 1 d D . P A 1
C2' C 0.2322(4) 0.2090(3) 0.0160(3) 0.039(3) Uani 0.5 1 d D . P A 2
F1' F 0.1891(7) 0.1968(8) 0.0608(5) 0.066(5) Uani 0.5 1 d D . P A 2
F2' F 0.2942(3) 0.2231(2) 0.0380(3) 0.0461(17) Uani 0.5 1 d D . P A 2
F3' F 0.2407(4) 0.1654(2) -0.0169(3) 0.0416(17) Uani 0.5 1 d D . P A 2
C3A C 0.2519(2) 0.250000 -0.0892(2) 0.0263(14) Uani 1 2 d DS T P A .
F4A F 0.23856(16) 0.29298(10) -0.12242(12) 0.0460(8) Uani 1 1 d D . . . .
F5A F 0.32051(18) 0.250000 -0.07786(18) 0.0332(9) Uani 1 2 d DS T P . .
O2A O -0.0661(2) 0.250000 -0.1224(2) 0.0330(12) Uani 1 2 d S T P B .
C4A C -0.1250(3) 0.2571(3) -0.1548(3) 0.0308(18) Uani 0.5 1 d D . P B -1
C5A C -0.1111(3) 0.2352(3) -0.2188(3) 0.035(2) Uani 0.5 1 d D . P B -1
F6A F -0.0529(2) 0.2564(5) -0.2417(2) 0.0377(19) Uani 0.5 1 d D . P B -1
F7A F -0.1632(2) 0.2445(6) -0.2574(2) 0.052(2) Uani 0.5 1 d D . P B -1
F8A F -0.1023(4) 0.1821(3) -0.2176(3) 0.053(2) Uani 0.5 1 d D . P B -1
C6A C -0.1836(4) 0.2233(3) -0.1250(3) 0.055(3) Uani 0.5 1 d D . P B -1
F9A F -0.1588(7) 0.1761(5) -0.1071(5) 0.064(3) Uani 0.5 1 d D . P B -1
F10A F -0.2090(2) 0.2481(5) -0.0770(2) 0.0729(18) Uani 0.5 1 d D . P B -1
F11A F -0.2372(4) 0.2126(4) -0.1615(4) 0.081(3) Uani 0.5 1 d D . P B -1
C7A C -0.1497(4) 0.3162(3) -0.1593(3) 0.042(2) Uani 0.5 1 d D . P B -1
F12A F -0.1120(4) 0.3445(3) -0.1985(3) 0.054(2) Uani 0.5 1 d D . P B -1
F13A F -0.1431(8) 0.3403(5) -0.1064(4) 0.060(3) Uani 0.5 1 d D . P B -1
F14A F -0.2169(4) 0.3208(4) -0.1751(4) 0.074(3) Uani 0.5 1 d D . P B -1
O3A O 0.0284(6) 0.1557(3) -0.0602(3) 0.035(3) Uani 0.545(6) 1 d D . P C 1
C8A C 0.0268(6) 0.1330(3) 0.0008(3) 0.036(2) Uani 0.545(6) 1 d D . P C 1
H8AA H -0.020205 0.137619 0.019090 0.043 Uiso 0.545(6) 1 calc R U P C 1
H8AB H 0.062186 0.150619 0.026711 0.043 Uiso 0.545(6) 1 calc R U P C 1
C9A C 0.0436(7) 0.0749(3) -0.0070(4) 0.041(3) Uani 0.545(6) 1 d D . P C 1
H9AA H 0.023671 0.053027 0.025908 0.049 Uiso 0.545(6) 1 calc R U P C 1
H9AB H 0.094865 0.068764 -0.009425 0.049 Uiso 0.545(6) 1 calc R U P C 1
C10A C 0.0082(7) 0.0633(4) -0.0655(4) 0.048(3) Uani 0.545(6) 1 d D . P C 1
H10A H -0.043465 0.061054 -0.060564 0.057 Uiso 0.545(6) 1 calc R U P C 1
H10B H 0.025595 0.029479 -0.083212 0.057 Uiso 0.545(6) 1 calc R U P C 1
C11A C 0.0284(7) 0.1107(3) -0.1033(4) 0.048(3) Uani 0.545(6) 1 d D . P C 1
H11A H 0.075476 0.105683 -0.121279 0.057 Uiso 0.545(6) 1 calc R U P C 1
H11B H -0.006254 0.116768 -0.135741 0.057 Uiso 0.545(6) 1 calc R U P C 1
O3' O 0.0346(5) 0.1584(4) -0.0808(5) 0.027(2) Uani 0.455(6) 1 d D . P C 2
C8' C 0.0974(5) 0.1243(4) -0.0877(4) 0.028(3) Uani 0.455(6) 1 d D . P C 2
H8'A H 0.140939 0.145986 -0.086458 0.034 Uiso 0.455(6) 1 calc R U P C 2
H8'B H 0.095875 0.104004 -0.125812 0.034 Uiso 0.455(6) 1 calc R U P C 2
C9' C 0.0928(5) 0.0875(4) -0.0346(4) 0.036(3) Uani 0.455(6) 1 d D . P C 2
H9'A H 0.121771 0.054932 -0.040586 0.043 Uiso 0.455(6) 1 calc R U P C 2
H9'B H 0.107853 0.105692 0.002707 0.043 Uiso 0.455(6) 1 calc R U P C 2
C10' C 0.0159(5) 0.0741(4) -0.0330(6) 0.030(3) Uani 0.455(6) 1 d D . P C 2
H10C H 0.006006 0.041995 -0.057674 0.036 Uiso 0.455(6) 1 calc R U P C 2
H10D H 0.000454 0.067040 0.008708 0.036 Uiso 0.455(6) 1 calc R U P C 2
C11' C -0.0208(5) 0.1223(4) -0.0580(5) 0.038(3) Uani 0.455(6) 1 d D . P C 2
H11C H -0.052923 0.111691 -0.090854 0.045 Uiso 0.455(6) 1 calc R U P C 2
H11D H -0.048581 0.140353 -0.026333 0.045 Uiso 0.455(6) 1 calc R U P C 2
O4A O -0.0170(2) 0.250000 0.0164(2) 0.0443(15) Uani 1 2 d DS T P C .
C12A C -0.0912(3) 0.2414(9) 0.0321(3) 0.024(4) Uani 0.5 1 d D . P C -1
H12A H -0.107481 0.205842 0.018153 0.029 Uiso 0.5 1 calc R U P C -1
H12B H -0.121330 0.269460 0.014170 0.029 Uiso 0.5 1 calc R U P C -1
C13A C -0.0923(5) 0.2446(8) 0.0993(3) 0.048(3) Uani 0.5 1 d D . P C -1
H13A H -0.139717 0.254656 0.113763 0.057 Uiso 0.5 1 calc R U P C -1
H13B H -0.079244 0.209680 0.117219 0.057 Uiso 0.5 1 calc R U P C -1
C14A C -0.0397(5) 0.2868(6) 0.1158(5) 0.056(3) Uani 0.5 1 d D . P C -1
H14A H -0.021261 0.281311 0.156872 0.067 Uiso 0.5 1 calc R U P C -1
H14B H -0.059928 0.323207 0.112537 0.067 Uiso 0.5 1 calc R U P C -1
C15A C 0.0161(4) 0.2772(4) 0.0690(3) 0.031(2) Uani 0.5 1 d D . P C -1
H15A H 0.036999 0.311784 0.056395 0.037 Uiso 0.5 1 calc R U P C -1
H15B H 0.053945 0.254461 0.085764 0.037 Uiso 0.5 1 calc R U P C -1
O5A O 0.0833(2) 0.250000 -0.17345(18) 0.0269(11) Uani 1 2 d DS T P C .
C16A C 0.0994(3) 0.29796(18) -0.2086(2) 0.0434(15) Uani 1 1 d D . . . .
H16A H 0.132269 0.321445 -0.186288 0.052 Uiso 1 1 calc R U . C .
H16B H 0.055955 0.318374 -0.217056 0.052 Uiso 1 1 calc R U . . .
C17A C 0.1321(5) 0.27937(11) -0.2653(3) 0.104(3) Uani 1 1 d D U . . .
H17A H 0.105117 0.292975 -0.300086 0.124 Uiso 1 1 calc R U . . .
H17B H 0.180849 0.292975 -0.268301 0.124 Uiso 1 1 calc R U . . .
Dy1B Dy 0.500000 0.500000 0.000000 0.02211(9) Uani 1 2 d S . P . .
O1B O 0.5028(17) 0.4258(12) -0.0487(15) 0.015(3) Uani 0.512(4) 1 d . U P D 1
C1B C 0.5102(3) 0.3782(3) -0.0802(3) 0.026(2) Uani 0.512(4) 1 d D . P D 1
C2B C 0.5819(3) 0.3501(3) -0.0704(3) 0.038(3) Uani 0.512(4) 1 d D . P D 1
F1B F 0.5970(3) 0.3137(2) -0.1123(3) 0.0513(19) Uani 0.512(4) 1 d D . P D 1
F2B F 0.6343(3) 0.3851(2) -0.0704(3) 0.0429(17) Uani 0.512(4) 1 d D . P D 1
F3B F 0.5840(4) 0.3251(3) -0.0178(3) 0.0522(19) Uani 0.512(4) 1 d D . P D 1
C3B C 0.4498(3) 0.3395(2) -0.0634(3) 0.039(2) Uani 0.512(4) 1 d D . P D 1
F4B F 0.3867(4) 0.3561(5) -0.0823(5) 0.089(4) Uani 0.512(4) 1 d D . P D 1
F5B F 0.4440(4) 0.3358(3) -0.0044(3) 0.046(2) Uani 0.512(4) 1 d D . P D 1
F6B F 0.4611(3) 0.2908(2) -0.0857(3) 0.0525(19) Uani 0.512(4) 1 d D . P D 1
C4B C 0.5026(3) 0.3925(2) -0.1475(3) 0.035(3) Uani 0.512(4) 1 d D . P D 1
F7B F 0.4511(3) 0.4282(2) -0.1562(3) 0.0447(17) Uani 0.512(4) 1 d D . P D 1
F8B F 0.5605(3) 0.4152(2) -0.1692(3) 0.0504(18) Uani 0.512(4) 1 d D . P D 1
F9B F 0.4880(3) 0.3506(2) -0.1824(3) 0.0517(19) Uani 0.512(4) 1 d D . P D 1
O1" O 0.504(2) 0.4235(14) -0.0400(17) 0.034(6) Uani 0.488(4) 1 d . . P D 2
C1" C 0.5031(4) 0.3729(4) -0.0528(3) 0.030(2) Uani 0.488(4) 1 d D . P D 2
C2" C 0.5799(4) 0.3542(3) -0.0623(3) 0.057(3) Uani 0.488(4) 1 d D . P D 2
F1" F 0.6219(4) 0.3782(3) -0.0236(4) 0.087(3) Uani 0.488(4) 1 d D U P D 2
F2" F 0.5861(4) 0.3014(2) -0.0557(4) 0.063(2) Uani 0.488(4) 1 d D . P D 2
F3" F 0.6018(5) 0.3682(3) -0.1168(3) 0.090(3) Uani 0.488(4) 1 d D U P D 2
C3" C 0.4603(4) 0.3577(2) -0.1095(3) 0.045(3) Uani 0.488(4) 1 d D . P D 2
F4" F 0.4714(4) 0.3084(2) -0.1301(3) 0.0455(18) Uani 0.488(4) 1 d D . P D 2
F5" F 0.4712(6) 0.3900(3) -0.1555(3) 0.083(3) Uani 0.488(4) 1 d D U P D 2
F6" F 0.3925(4) 0.3625(4) -0.0945(4) 0.054(3) Uani 0.488(4) 1 d D U P D 2
C4" C 0.4719(4) 0.3424(3) 0.0013(3) 0.044(3) Uani 0.488(4) 1 d D . P D 2
F7" F 0.5207(4) 0.3417(3) 0.0442(4) 0.083(3) Uani 0.488(4) 1 d D U P D 2
F8" F 0.4177(3) 0.3688(2) 0.0244(3) 0.062(2) Uani 0.488(4) 1 d D . P D 2
F9" F 0.4510(4) 0.2926(2) -0.0100(3) 0.055(2) Uani 0.488(4) 1 d D . P D 2
O3B O 0.3781(5) 0.4862(5) 0.0305(5) 0.020(3) Uani 0.457(10) 1 d D . P D 1
C5B C 0.3505(7) 0.4852(8) 0.0922(5) 0.030(4) Uani 0.457(10) 1 d D . P D 1
H5BA H 0.372713 0.513557 0.116881 0.036 Uiso 0.457(10) 1 calc R U P D 1
H5BB H 0.359476 0.450011 0.111257 0.036 Uiso 0.457(10) 1 calc R U P D 1
C6B C 0.2732(7) 0.4950(9) 0.0860(9) 0.029(4) Uani 0.457(10) 1 d D . P D 1
H6BA H 0.262762 0.533720 0.081840 0.035 Uiso 0.457(10) 1 calc R U P D 1
H6BB H 0.246813 0.480359 0.120522 0.035 Uiso 0.457(10) 1 calc R U P D 1
C7B C 0.2569(6) 0.4651(7) 0.0293(6) 0.026(4) Uani 0.457(10) 1 d D . P D 1
H7BA H 0.252370 0.426202 0.037146 0.031 Uiso 0.457(10) 1 calc R U P D 1
H7BB H 0.212743 0.478311 0.011010 0.031 Uiso 0.457(10) 1 calc R U P D 1
C8B C 0.3186(5) 0.4766(5) -0.0103(4) 0.029(3) Uani 0.457(10) 1 d D U P D 1
H8BA H 0.328445 0.445657 -0.036871 0.035 Uiso 0.457(10) 1 calc R U P D 1
H8BB H 0.309615 0.508533 -0.035496 0.035 Uiso 0.457(10) 1 calc R U P D 1
O3" O 0.3978(5) 0.4762(4) 0.0427(4) 0.024(2) Uani 0.543(10) 1 d D . P D 2
C5" C 0.3725(6) 0.4955(6) 0.1013(5) 0.020(3) Uani 0.543(10) 1 d D . P D 2
H5"A H 0.396278 0.529335 0.112619 0.024 Uiso 0.543(10) 1 calc R U P D 2
H5"B H 0.380967 0.468479 0.132937 0.024 Uiso 0.543(10) 1 calc R U P D 2
C6" C 0.2953(6) 0.5044(7) 0.0922(7) 0.031(4) Uani 0.543(10) 1 d D . P D 2
H6"A H 0.285871 0.541975 0.080338 0.037 Uiso 0.543(10) 1 calc R U P D 2
H6"B H 0.268971 0.496453 0.129466 0.037 Uiso 0.543(10) 1 calc R U P D 2
C7" C 0.2747(5) 0.4665(7) 0.0430(6) 0.036(4) Uani 0.543(10) 1 d D . P D 2
H7"A H 0.239815 0.440100 0.057634 0.044 Uiso 0.543(10) 1 calc R U P D 2
H7"B H 0.254255 0.486243 0.008658 0.044 Uiso 0.543(10) 1 calc R U P D 2
C8" C 0.3415(4) 0.4391(4) 0.0250(4) 0.034(3) Uani 0.543(10) 1 d D . P D 2
H8"A H 0.346525 0.404359 0.046084 0.041 Uiso 0.543(10) 1 calc R U P D 2
H8"B H 0.342490 0.432600 -0.018785 0.041 Uiso 0.543(10) 1 calc R U P D 2
O4B O 0.4526(5) 0.5368(4) -0.0861(4) 0.030(3) Uani 0.532(7) 1 d D . P D 1
C9B C 0.3760(5) 0.5353(4) -0.0955(4) 0.036(3) Uani 0.532(7) 1 d D . P D 1
H9BA H 0.352001 0.559935 -0.067320 0.043 Uiso 0.532(7) 1 calc R U P D 1
H9BB H 0.357689 0.498594 -0.089093 0.043 Uiso 0.532(7) 1 calc R U P D 1
C10B C 0.3643(7) 0.5527(6) -0.1592(5) 0.033(4) Uani 0.532(7) 1 d D . P D 1
H10E H 0.362988 0.521535 -0.186650 0.040 Uiso 0.532(7) 1 calc R U P D 1
H10F H 0.319939 0.573131 -0.163218 0.040 Uiso 0.532(7) 1 calc R U P D 1
C11B C 0.4268(5) 0.5876(5) -0.1718(5) 0.040(3) Uani 0.532(7) 1 d D . P D 1
H11E H 0.436233 0.589594 -0.215443 0.048 Uiso 0.532(7) 1 calc R U P D 1
H11F H 0.419285 0.624329 -0.156230 0.048 Uiso 0.532(7) 1 calc R U P D 1
C12B C 0.4860(5) 0.5605(4) -0.1395(4) 0.037(3) Uani 0.532(7) 1 d D . P D 1
H12C H 0.507557 0.532402 -0.164930 0.044 Uiso 0.532(7) 1 calc R U P D 1
H12D H 0.522596 0.586675 -0.127902 0.044 Uiso 0.532(7) 1 calc R U P D 1
O4" O 0.4422(7) 0.5378(4) -0.0858(4) 0.026(3) Uani 0.468(7) 1 d D . P D 2
C9" C 0.4257(7) 0.5105(4) -0.1427(4) 0.038(3) Uani 0.468(7) 1 d D . P D 2
H9"A H 0.403354 0.475259 -0.135253 0.045 Uiso 0.468(7) 1 calc R U P D 2
H9"B H 0.468748 0.504973 -0.166945 0.045 Uiso 0.468(7) 1 calc R U P D 2
C10" C 0.3759(8) 0.5479(5) -0.1737(7) 0.038(5) Uani 0.468(7) 1 d D . P D 2
H10G H 0.378685 0.543924 -0.217873 0.045 Uiso 0.468(7) 1 calc R U P D 2
H10H H 0.326835 0.541545 -0.160699 0.045 Uiso 0.468(7) 1 calc R U P D 2
C11" C 0.4010(8) 0.6021(5) -0.1543(4) 0.039(4) Uani 0.468(7) 1 d D . P D 2
H11G H 0.441351 0.613934 -0.178999 0.047 Uiso 0.468(7) 1 calc R U P D 2
H11H H 0.362895 0.629001 -0.157761 0.047 Uiso 0.468(7) 1 calc R U P D 2
C12" C 0.4224(7) 0.5948(4) -0.0902(4) 0.041(3) Uani 0.468(7) 1 d D . P D 2
H12E H 0.462642 0.618214 -0.080057 0.049 Uiso 0.468(7) 1 calc R U P D 2
H12F H 0.382855 0.603108 -0.062819 0.049 Uiso 0.468(7) 1 calc R U P D 2
B1C B 0.6284(2) 0.5507(2) 0.6852(2) 0.0493(17) Uani 1 1 d D . . . .
C1C C 0.65828(19) 0.58465(16) 0.62407(12) 0.0499(15) Uani 1 1 d DG . . . .
C2C C 0.7059(2) 0.62655(17) 0.63003(14) 0.0583(17) Uani 1 1 d G . . . .
H2CA H 0.718557 0.639099 0.668802 0.070 Uiso 1 1 calc R U . . .
C3C C 0.73505(19) 0.65009(15) 0.5793(2) 0.0676(19) Uani 1 1 d G . . . .
H3CA H 0.767602 0.678730 0.583359 0.081 Uiso 1 1 calc R U . . .
C4C C 0.7165(2) 0.63174(18) 0.52256(15) 0.066(2) Uani 1 1 d G . . . .
H4CA H 0.736459 0.647827 0.487869 0.080 Uiso 1 1 calc R U . . .
C5C C 0.6689(2) 0.58984(18) 0.51659(11) 0.0587(18) Uani 1 1 d G . . . .
H5CA H 0.656271 0.577292 0.477821 0.070 Uiso 1 1 calc R U . . .
C6C C 0.63978(18) 0.56630(14) 0.56734(15) 0.0490(16) Uani 1 1 d G . . . .
H6CA H 0.607226 0.537660 0.563264 0.059 Uiso 1 1 calc R U . . .
C7C C 0.5406(4) 0.5557(8) 0.6802(10) 0.024(5) Uani 0.204(16) 1 d DG . P E 1
C8C C 0.4989(6) 0.5949(7) 0.6539(8) 0.022(5) Uani 0.204(16) 1 d G U P E 1
H8CA H 0.519969 0.626482 0.638109 0.026 Uiso 0.204(16) 1 calc R U P E 1
C9C C 0.4266(6) 0.5881(9) 0.6506(7) 0.028(6) Uani 0.204(16) 1 d G U P E 1
H9CA H 0.398124 0.614892 0.632553 0.034 Uiso 0.204(16) 1 calc R U P E 1
C10C C 0.3958(4) 0.5419(9) 0.6736(8) 0.026(6) Uani 0.204(16) 1 d G U P E 1
H10I H 0.346349 0.537219 0.671394 0.031 Uiso 0.204(16) 1 calc R U P E 1
C11C C 0.4374(8) 0.5027(7) 0.7000(8) 0.023(5) Uani 0.204(16) 1 d G . P E 1
H11I H 0.416418 0.471134 0.715791 0.027 Uiso 0.204(16) 1 calc R U P E 1
C12C C 0.5098(7) 0.5096(7) 0.7033(9) 0.022(5) Uani 0.204(16) 1 d G U P E 1
H12G H 0.538263 0.482722 0.721346 0.027 Uiso 0.204(16) 1 calc R U P E 1
C7* C 0.54260(19) 0.5297(4) 0.6780(3) 0.046(2) Uani 0.796(16) 1 d DG . P E 2
C8* C 0.4965(3) 0.5635(4) 0.6479(2) 0.060(3) Uani 0.796(16) 1 d G . P E 2
H8*A H 0.513468 0.595603 0.629997 0.072 Uiso 0.796(16) 1 calc R U P E 2
C9* C 0.4257(2) 0.5505(5) 0.6439(3) 0.080(4) Uani 0.796(16) 1 d G . P E 2
H9*A H 0.394192 0.573605 0.623338 0.096 Uiso 0.796(16) 1 calc R U P E 2
C10* C 0.4009(2) 0.5036(5) 0.6701(3) 0.088(5) Uani 0.796(16) 1 d G . P E 2
H10J H 0.352476 0.494624 0.667356 0.106 Uiso 0.796(16) 1 calc R U P E 2
C11* C 0.4470(3) 0.4697(5) 0.7002(3) 0.075(4) Uani 0.796(16) 1 d G . P E 2
H11J H 0.430035 0.437640 0.718034 0.090 Uiso 0.796(16) 1 calc R U P E 2
C12* C 0.5178(3) 0.4828(4) 0.7041(2) 0.056(3) Uani 0.796(16) 1 d G . P E 2
H12H H 0.549312 0.459637 0.724694 0.067 Uiso 0.796(16) 1 calc R U P E 2
C13C C 0.67660(18) 0.49477(13) 0.69374(15) 0.0404(13) Uani 1 1 d DG . . . .
C14C C 0.71159(19) 0.47155(14) 0.64557(11) 0.0424(13) Uani 1 1 d G . . . .
H14C H 0.709812 0.487944 0.607133 0.051 Uiso 1 1 calc R U . . .
C15C C 0.74919(18) 0.42433(14) 0.65364(14) 0.0487(15) Uani 1 1 d G . . . .
H15C H 0.773102 0.408451 0.620716 0.058 Uiso 1 1 calc R U . . .
C16C C 0.75179(19) 0.40033(12) 0.70988(17) 0.0484(15) Uani 1 1 d G . . . .
H16C H 0.777483 0.368059 0.715393 0.058 Uiso 1 1 calc R U . . .
C17C C 0.7168(2) 0.42356(15) 0.75805(12) 0.0555(16) Uani 1 1 d G . . . .
H17C H 0.718574 0.407161 0.796489 0.067 Uiso 1 1 calc R U . . .
C18C C 0.67920(19) 0.47078(16) 0.74998(12) 0.0549(16) Uani 1 1 d G . . . .
H18A H 0.655284 0.486654 0.782908 0.066 Uiso 1 1 calc R U . . .
C19C C 0.6394(2) 0.59150(16) 0.74556(14) 0.0517(16) Uani 1 1 d DG . . . .
C20C C 0.58539(17) 0.6258(2) 0.76255(18) 0.078(2) Uani 1 1 d G . . . .
H20A H 0.541458 0.624513 0.742365 0.094 Uiso 1 1 calc R U . . .
C21C C 0.5957(2) 0.66211(18) 0.8091(2) 0.092(3) Uani 1 1 d G . . . .
H21A H 0.558812 0.685574 0.820666 0.110 Uiso 1 1 calc R U . . .
C22C C 0.6600(3) 0.66405(15) 0.83859(17) 0.077(2) Uani 1 1 d G . . . .
H22A H 0.667031 0.688836 0.870376 0.092 Uiso 1 1 calc R U . . .
C23C C 0.7140(2) 0.62971(17) 0.82160(16) 0.0571(17) Uani 1 1 d G . . . .
H23A H 0.757897 0.631039 0.841784 0.069 Uiso 1 1 calc R U . . .
C24C C 0.70365(18) 0.59344(15) 0.77509(16) 0.0485(15) Uani 1 1 d G . . . .
H24A H 0.740544 0.569978 0.763483 0.058 Uiso 1 1 calc R U . . .
O1S O 0.8018(11) 0.7654(11) 0.7278(10) 0.237(9) Uani 0.5 1 d D U P F -1
C1S C 0.8626(15) 0.744(2) 0.6944(10) 0.227(9) Uani 0.5 1 d D U P F -1
H1SA H 0.889205 0.771951 0.673356 0.273 Uiso 0.5 1 calc R U P F -1
H1SB H 0.848318 0.715517 0.665384 0.273 Uiso 0.5 1 calc R U P F -1
C2S C 0.9033(13) 0.7205(8) 0.7462(9) 0.170(8) Uani 0.5 1 d D U P F -1
H2SA H 0.904741 0.681249 0.739940 0.204 Uiso 0.5 1 calc R U P F -1
H2SB H 0.952173 0.733524 0.741848 0.204 Uiso 0.5 1 calc R U P F -1
C3S C 0.8833(13) 0.7292(9) 0.8104(8) 0.163(8) Uani 0.5 1 d D U P F -1
H3SA H 0.859761 0.698155 0.829417 0.195 Uiso 0.5 1 calc R U P F -1
H3SB H 0.921798 0.743179 0.835862 0.195 Uiso 0.5 1 calc R U P F -1
C4S C 0.8341(13) 0.7713(10) 0.7875(10) 0.208(9) Uani 0.5 1 d D U P F -1
H4SA H 0.795413 0.774618 0.817014 0.250 Uiso 0.5 1 calc R U P F -1
H4SB H 0.859809 0.805766 0.787771 0.250 Uiso 0.5 1 calc R U P F -1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1A O1A 2.133(4) . ?
Dy1A O2A 2.136(4) . ?
Dy1A O3' 2.286(9) 7_565 ?
Dy1A O3' 2.286(9) . ?
Dy1A O4A 2.317(4) . ?
Dy1A O5A 2.325(4) . ?
Dy1A O3A 2.389(8) 7_565 ?
Dy1A O3A 2.389(8) . ?
O1A C1A 1.352(7) . ?
C1A C2' 1.537(6) 7_565 ?
C1A C2' 1.537(6) . ?
C1A C3A 1.551(5) . ?
C1A C2A 1.584(5) . ?
C1A C2A 1.584(5) 7_565 ?
C2A F1A 1.335(5) . ?
C2A F2A 1.345(5) . ?
C2A F3A 1.350(5) . ?
C2' F3' 1.322(5) . ?
C2' F2' 1.326(5) . ?
C2' F1' 1.326(5) . ?
F2' F2' 1.343(11) 7_565 ?
C3A F4A 1.328(3) 7_565 ?
C3A F4A 1.328(3) . ?
C3A F5A 1.329(4) . ?
O2A C4A 1.346(8) . ?
C4A C6A 1.548(5) . ?
C4A C7A 1.549(6) . ?
C4A C5A 1.550(5) . ?
C5A F6A 1.329(5) . ?
C5A F7A 1.335(5) . ?
C5A F8A 1.335(5) . ?
C6A F10A 1.327(5) . ?
C6A F9A 1.330(5) . ?
C6A F11A 1.332(5) . ?
C7A F13A 1.330(5) . ?
C7A F14A 1.332(5) . ?
C7A F12A 1.334(5) . ?
O3A C8A 1.474(5) . ?
O3A C11A 1.476(5) . ?
C8A C9A 1.494(5) . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C9A C10A 1.495(5) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C10A C11A 1.502(5) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
O3' C8' 1.474(6) . ?
O3' C11' 1.477(5) . ?
C8' C9' 1.501(6) . ?
C8' H8'A 0.9900 . ?
C8' H8'B 0.9900 . ?
C9' C10' 1.501(6) . ?
C9' H9'A 0.9900 . ?
C9' H9'B 0.9900 . ?
C10' C11' 1.499(6) . ?
C10' H10C 0.9900 . ?
C10' H10D 0.9900 . ?
C11' H11C 0.9900 . ?
C11' H11D 0.9900 . ?
O4A C12A 1.470(5) . ?
O4A C15A 1.495(5) . ?
C12A C13A 1.500(5) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C13A C14A 1.497(6) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C14A C15A 1.508(5) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
O5A C16A 1.462(4) . ?
O5A C16A 1.462(4) 7_565 ?
C16A C17A 1.484(5) . ?
C16A H16A 0.9900 . ?
C16A H16B 0.9900 . ?
C17A C17A 1.465(5) 7_565 ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
Dy1B O1" 2.11(4) 5_665 ?
Dy1B O1" 2.11(4) . ?
Dy1B O1B 2.15(3) 5_665 ?
Dy1B O1B 2.15(3) . ?
Dy1B O3" 2.245(9) 5_665 ?
Dy1B O3" 2.245(9) . ?
Dy1B O4B 2.311(10) 5_665 ?
Dy1B O4B 2.311(10) . ?
Dy1B O4" 2.400(10) 5_665 ?
Dy1B O4" 2.400(10) . ?
Dy1B O3B 2.441(10) 5_665 ?
Dy1B O3B 2.441(10) . ?
O1B C1B 1.39(3) . ?
C1B C3B 1.548(6) . ?
C1B C4B 1.549(6) . ?
C1B C2B 1.549(6) . ?
C2B F2B 1.326(5) . ?
C2B F3B 1.329(5) . ?
C2B F1B 1.334(5) . ?
C3B F5B 1.323(5) . ?
C3B F6B 1.330(5) . ?
C3B F4B 1.337(5) . ?
C4B F8B 1.329(5) . ?
C4B F9B 1.331(5) . ?
C4B F7B 1.340(5) . ?
O1" C1" 1.30(4) . ?
C1" C4" 1.545(6) . ?
C1" C2" 1.549(6) . ?
C1" C3" 1.549(6) . ?
C2" F1" 1.319(5) . ?
C2" F2" 1.330(5) . ?
C2" F3" 1.331(5) . ?
C3" F5" 1.321(5) . ?
C3" F4" 1.330(5) . ?
C3" F6" 1.339(5) . ?
C4" F8" 1.327(5) . ?
C4" F9" 1.328(5) . ?
C4" F7" 1.334(5) . ?
O3B C8B 1.472(5) . ?
O3B C5B 1.473(5) . ?
C5B C6B 1.498(6) . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C6B C7B 1.499(6) . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C7B C8B 1.499(6) . ?
C7B H7BA 0.9900 . ?
C7B H7BB 0.9900 . ?
C8B H8BA 0.9900 . ?
C8B H8BB 0.9900 . ?
O3" C8" 1.471(5) . ?
O3" C5" 1.472(5) . ?
C5" C6" 1.499(5) . ?
C5" H5"A 0.9900 . ?
C5" H5"B 0.9900 . ?
C6" C7" 1.501(5) . ?
C6" H6"A 0.9900 . ?
C6" H6"B 0.9900 . ?
C7" C8" 1.498(6) . ?
C7" H7"A 0.9900 . ?
C7" H7"B 0.9900 . ?
C8" H8"A 0.9900 . ?
C8" H8"B 0.9900 . ?
O4B C9B 1.473(6) . ?
O4B C12B 1.473(6) . ?
C9B C10B 1.502(5) . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C10B C11B 1.500(6) . ?
C10B H10E 0.9900 . ?
C10B H10F 0.9900 . ?
C11B C12B 1.499(5) . ?
C11B H11E 0.9900 . ?
C11B H11F 0.9900 . ?
C12B H12C 0.9900 . ?
C12B H12D 0.9900 . ?
O4" C9" 1.474(6) . ?
O4" C12" 1.474(6) . ?
C9" C10" 1.501(6) . ?
C9" H9"A 0.9900 . ?
C9" H9"B 0.9900 . ?
C10" C11" 1.498(6) . ?
C10" H10G 0.9900 . ?
C10" H10H 0.9900 . ?
C11" C12" 1.498(6) . ?
C11" H11G 0.9900 . ?
C11" H11H 0.9900 . ?
C12" H12E 0.9900 . ?
C12" H12F 0.9900 . ?
B1C C7C 1.679(7) . ?
B1C C13C 1.682(5) . ?
B1C C19C 1.700(5) . ?
B1C C1C 1.702(5) . ?
B1C C7* 1.722(6) . ?
C1C C2C 1.3900 . ?
C1C C6C 1.3900 . ?
C2C C3C 1.3900 . ?
C2C H2CA 0.9500 . ?
C3C C4C 1.3900 . ?
C3C H3CA 0.9500 . ?
C4C C5C 1.3900 . ?
C4C H4CA 0.9500 . ?
C5C C6C 1.3900 . ?
C5C H5CA 0.9500 . ?
C6C H6CA 0.9500 . ?
C7C C8C 1.3900 . ?
C7C C12C 1.3900 . ?
C8C C9C 1.3900 . ?
C8C H8CA 0.9500 . ?
C9C C10C 1.3900 . ?
C9C H9CA 0.9500 . ?
C10C C11C 1.3900 . ?
C10C H10I 0.9500 . ?
C11C C12C 1.3900 . ?
C11C H11I 0.9500 . ?
C12C H12G 0.9500 . ?
C7* C8* 1.3900 . ?
C7* C12* 1.3900 . ?
C8* C9* 1.3900 . ?
C8* H8*A 0.9500 . ?
C9* C10* 1.3900 . ?
C9* H9*A 0.9500 . ?
C10* C11* 1.3900 . ?
C10* H10J 0.9500 . ?
C11* C12* 1.3900 . ?
C11* H11J 0.9500 . ?
C12* H12H 0.9500 . ?
C13C C14C 1.3900 . ?
C13C C18C 1.3900 . ?
C14C C15C 1.3900 . ?
C14C H14C 0.9500 . ?
C15C C16C 1.3900 . ?
C15C H15C 0.9500 . ?
C16C C17C 1.3900 . ?
C16C H16C 0.9500 . ?
C17C C18C 1.3900 . ?
C17C H17C 0.9500 . ?
C18C H18A 0.9500 . ?
C19C C20C 1.3900 . ?
C19C C24C 1.3900 . ?
C20C C21C 1.3900 . ?
C20C H20A 0.9500 . ?
C21C C22C 1.3900 . ?
C21C H21A 0.9500 . ?
C22C C23C 1.3900 . ?
C22C H22A 0.9500 . ?
C23C C24C 1.3900 . ?
C23C H23A 0.9500 . ?
C24C H24A 0.9500 . ?
O1S C4S 1.473(6) . ?
O1S C1S 1.480(6) . ?
C1S C2S 1.503(6) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S C3S 1.497(6) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S C4S 1.497(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?

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
O1A Dy1A O2A 173.95(17) . . ?
O1A Dy1A O3' 90.1(3) . 7_565 ?
O2A Dy1A O3' 89.8(3) . 7_565 ?
O1A Dy1A O3' 90.1(3) . . ?
O2A Dy1A O3' 89.8(3) . . ?
O3' Dy1A O3' 176.9(5) 7_565 . ?
O1A Dy1A O4A 93.15(16) . . ?
O2A Dy1A O4A 92.90(16) . . ?
O3' Dy1A O4A 91.5(2) 7_565 . ?
O3' Dy1A O4A 91.5(2) . . ?
O1A Dy1A O5A 87.33(16) . . ?
O2A Dy1A O5A 86.62(16) . . ?
O3' Dy1A O5A 88.5(2) 7_565 . ?
O3' Dy1A O5A 88.5(2) . . ?
O4A Dy1A O5A 179.51(15) . . ?
O1A Dy1A O3A 88.7(3) . 7_565 ?
O2A Dy1A O3A 92.3(3) . 7_565 ?
O4A Dy1A O3A 80.24(19) . 7_565 ?
O5A Dy1A O3A 99.78(19) . 7_565 ?
O1A Dy1A O3A 88.7(3) . . ?
O2A Dy1A O3A 92.3(3) . . ?
O4A Dy1A O3A 80.23(19) . . ?
O5A Dy1A O3A 99.78(19) . . ?
O3A Dy1A O3A 160.1(4) 7_565 . ?
C1A O1A Dy1A 170.5(4) . . ?
O1A C1A C2' 116.1(4) . 7_565 ?
O1A C1A C2' 116.1(4) . . ?
C2' C1A C2' 83.6(6) 7_565 . ?
O1A C1A C3A 111.2(5) . . ?
C2' C1A C3A 113.7(5) 7_565 . ?
C2' C1A C3A 113.7(5) . . ?
O1A C1A C2A 101.6(3) . . ?
C3A C1A C2A 104.5(3) . . ?
O1A C1A C2A 101.6(3) . 7_565 ?
C3A C1A C2A 104.5(3) . 7_565 ?
C2A C1A C2A 132.6(6) . 7_565 ?
F1A C2A F2A 106.6(7) . . ?
F1A C2A F3A 104.0(6) . . ?
F2A C2A F3A 103.9(5) . . ?
F1A C2A C1A 104.9(9) . . ?
F2A C2A C1A 118.1(5) . . ?
F3A C2A C1A 118.1(5) . . ?
F3' C2' F2' 108.3(6) . . ?
F3' C2' F1' 107.8(7) . . ?
F2' C2' F1' 109.4(7) . . ?
F3' C2' C1A 102.1(5) . . ?
F2' C2' C1A 110.3(6) . . ?
F1' C2' C1A 118.3(11) . . ?
F4A C3A F4A 107.7(4) 7_565 . ?
F4A C3A F5A 107.1(3) 7_565 . ?
F4A C3A F5A 107.1(3) . . ?
F4A C3A C1A 111.3(3) 7_565 . ?
F4A C3A C1A 111.3(3) . . ?
F5A C3A C1A 112.2(4) . . ?
C4A O2A Dy1A 170.7(4) . . ?
O2A C4A C6A 107.3(5) . . ?
O2A C4A C7A 114.4(5) . . ?
C6A C4A C7A 109.1(5) . . ?
O2A C4A C5A 107.7(5) . . ?
C6A C4A C5A 109.0(5) . . ?
C7A C4A C5A 109.1(5) . . ?
F6A C5A F7A 107.5(5) . . ?
F6A C5A F8A 107.4(7) . . ?
F7A C5A F8A 106.1(7) . . ?
F6A C5A C4A 110.9(5) . . ?
F7A C5A C4A 113.9(5) . . ?
F8A C5A C4A 110.7(6) . . ?
F10A C6A F9A 107.4(7) . . ?
F10A C6A F11A 107.9(6) . . ?
F9A C6A F11A 106.1(6) . . ?
F10A C6A C4A 110.7(5) . . ?
F9A C6A C4A 110.8(8) . . ?
F11A C6A C4A 113.6(6) . . ?
F13A C7A F14A 106.6(7) . . ?
F13A C7A F12A 106.8(6) . . ?
F14A C7A F12A 107.3(6) . . ?
F13A C7A C4A 110.1(8) . . ?
F14A C7A C4A 113.1(7) . . ?
F12A C7A C4A 112.6(6) . . ?
C8A O3A C11A 107.9(7) . . ?
C8A O3A Dy1A 122.3(5) . . ?
C11A O3A Dy1A 129.8(5) . . ?
O3A C8A C9A 105.1(7) . . ?
O3A C8A H8AA 110.7 . . ?
C9A C8A H8AA 110.7 . . ?
O3A C8A H8AB 110.7 . . ?
C9A C8A H8AB 110.7 . . ?
H8AA C8A H8AB 108.8 . . ?
C8A C9A C10A 101.1(8) . . ?
C8A C9A H9AA 111.5 . . ?
C10A C9A H9AA 111.5 . . ?
C8A C9A H9AB 111.5 . . ?
C10A C9A H9AB 111.5 . . ?
H9AA C9A H9AB 109.4 . . ?
C9A C10A C11A 102.8(8) . . ?
C9A C10A H10A 111.2 . . ?
C11A C10A H10A 111.2 . . ?
C9A C10A H10B 111.2 . . ?
C11A C10A H10B 111.2 . . ?
H10A C10A H10B 109.1 . . ?
O3A C11A C10A 103.5(7) . . ?
O3A C11A H11A 111.1 . . ?
C10A C11A H11A 111.1 . . ?
O3A C11A H11B 111.1 . . ?
C10A C11A H11B 111.1 . . ?
H11A C11A H11B 109.0 . . ?
C8' O3' C11' 105.2(8) . . ?
C8' O3' Dy1A 125.9(7) . . ?
C11' O3' Dy1A 126.5(7) . . ?
O3' C8' C9' 103.0(8) . . ?
O3' C8' H8'A 111.2 . . ?
C9' C8' H8'A 111.2 . . ?
O3' C8' H8'B 111.2 . . ?
C9' C8' H8'B 111.2 . . ?
H8'A C8' H8'B 109.1 . . ?
C10' C9' C8' 102.2(8) . . ?
C10' C9' H9'A 111.3 . . ?
C8' C9' H9'A 111.3 . . ?
C10' C9' H9'B 111.3 . . ?
C8' C9' H9'B 111.3 . . ?
H9'A C9' H9'B 109.2 . . ?
C11' C10' C9' 105.5(8) . . ?
C11' C10' H10C 110.6 . . ?
C9' C10' H10C 110.6 . . ?
C11' C10' H10D 110.6 . . ?
C9' C10' H10D 110.6 . . ?
H10C C10' H10D 108.8 . . ?
O3' C11' C10' 106.5(8) . . ?
O3' C11' H11C 110.4 . . ?
C10' C11' H11C 110.4 . . ?
O3' C11' H11D 110.4 . . ?
C10' C11' H11D 110.4 . . ?
H11C C11' H11D 108.6 . . ?
C12A O4A C15A 106.5(6) . . ?
C12A O4A Dy1A 128.0(4) . . ?
C15A O4A Dy1A 122.6(4) . . ?
O4A C12A C13A 104.2(6) . . ?
O4A C12A H12A 110.9 . . ?
C13A C12A H12A 110.9 . . ?
O4A C12A H12B 110.9 . . ?
C13A C12A H12B 110.9 . . ?
H12A C12A H12B 108.9 . . ?
C14A C13A C12A 105.8(11) . . ?
C14A C13A H13A 110.6 . . ?
C12A C13A H13A 110.6 . . ?
C14A C13A H13B 110.6 . . ?
C12A C13A H13B 110.6 . . ?
H13A C13A H13B 108.7 . . ?
C13A C14A C15A 101.0(7) . . ?
C13A C14A H14A 111.6 . . ?
C15A C14A H14A 111.6 . . ?
C13A C14A H14B 111.6 . . ?
C15A C14A H14B 111.6 . . ?
H14A C14A H14B 109.4 . . ?
O4A C15A C14A 108.5(7) . . ?
O4A C15A H15A 110.0 . . ?
C14A C15A H15A 110.0 . . ?
O4A C15A H15B 110.0 . . ?
C14A C15A H15B 110.0 . . ?
H15A C15A H15B 108.4 . . ?
C16A O5A C16A 109.8(5) . 7_565 ?
C16A O5A Dy1A 125.0(2) . . ?
C16A O5A Dy1A 125.0(2) 7_565 . ?
O5A C16A C17A 106.7(4) . . ?
O5A C16A H16A 110.4 . . ?
C17A C16A H16A 110.4 . . ?
O5A C16A H16B 110.4 . . ?
C17A C16A H16B 110.4 . . ?
H16A C16A H16B 108.6 . . ?
C17A C17A C16A 108.2(2) 7_565 . ?
C17A C17A H17A 110.1 7_565 . ?
C16A C17A H17A 110.1 . . ?
C17A C17A H17B 110.1 7_565 . ?
C16A C17A H17B 110.1 . . ?
H17A C17A H17B 108.4 . . ?
O1" Dy1B O1" 180.0 5_665 . ?
O1B Dy1B O1B 180.0 5_665 . ?
O1B Dy1B O3" 90.4(9) 5_665 5_665 ?
O1B Dy1B O3" 89.6(9) . 5_665 ?
O1" Dy1B O3" 91.5(12) 5_665 . ?
O1" Dy1B O3" 88.5(12) . . ?
O3" Dy1B O3" 180.0(5) 5_665 . ?
O1B Dy1B O4B 86.1(9) 5_665 5_665 ?
O1B Dy1B O4B 93.9(9) . 5_665 ?
O1B Dy1B O4B 93.9(9) 5_665 . ?
O1B Dy1B O4B 86.1(9) . . ?
O4B Dy1B O4B 180.0 5_665 . ?
O1" Dy1B O4" 92.0(10) 5_665 5_665 ?
O1" Dy1B O4" 88.0(10) . 5_665 ?
O1B Dy1B O4" 87.0(9) 5_665 5_665 ?
O1B Dy1B O4" 93.0(9) . 5_665 ?
O3" Dy1B O4" 92.6(4) 5_665 5_665 ?
O3" Dy1B O4" 87.4(4) . 5_665 ?
O4B Dy1B O4" 4.4(5) 5_665 5_665 ?
O4B Dy1B O4" 175.6(5) . 5_665 ?
O1" Dy1B O4" 88.0(10) 5_665 . ?
O1" Dy1B O4" 92.0(10) . . ?
O3" Dy1B O4" 87.4(4) 5_665 . ?
O3" Dy1B O4" 92.6(4) . . ?
O4" Dy1B O4" 180.0 5_665 . ?
O1B Dy1B O3B 92.5(10) 5_665 5_665 ?
O1B Dy1B O3B 87.6(10) . 5_665 ?
O4B Dy1B O3B 85.2(3) 5_665 5_665 ?
O4B Dy1B O3B 94.8(3) . 5_665 ?
O1B Dy1B O3B 87.5(10) 5_665 . ?
O1B Dy1B O3B 92.5(10) . . ?
O4B Dy1B O3B 94.8(3) 5_665 . ?
O4B Dy1B O3B 85.2(3) . . ?
O3B Dy1B O3B 180.0 5_665 . ?
C1B O1B Dy1B 176(2) . . ?
O1B C1B C3B 109.6(15) . . ?
O1B C1B C4B 106.5(14) . . ?
C3B C1B C4B 108.0(5) . . ?
O1B C1B C2B 113.9(14) . . ?
C3B C1B C2B 109.8(5) . . ?
C4B C1B C2B 108.8(5) . . ?
F2B C2B F3B 106.7(5) . . ?
F2B C2B F1B 106.6(5) . . ?
F3B C2B F1B 107.0(6) . . ?
F2B C2B C1B 111.4(6) . . ?
F3B C2B C1B 111.3(6) . . ?
F1B C2B C1B 113.5(6) . . ?
F5B C3B F6B 108.7(6) . . ?
F5B C3B F4B 105.1(6) . . ?
F6B C3B F4B 108.2(6) . . ?
F5B C3B C1B 110.2(6) . . ?
F6B C3B C1B 111.0(6) . . ?
F4B C3B C1B 113.4(7) . . ?
F8B C4B F9B 107.2(5) . . ?
F8B C4B F7B 105.7(5) . . ?
F9B C4B F7B 106.5(5) . . ?
F8B C4B C1B 111.9(5) . . ?
F9B C4B C1B 113.9(6) . . ?
F7B C4B C1B 111.1(5) . . ?
C1" O1" Dy1B 167(3) . . ?
O1" C1" C4" 108.3(18) . . ?
O1" C1" C2" 108.0(19) . . ?
C4" C1" C2" 108.8(5) . . ?
O1" C1" C3" 115.2(17) . . ?
C4" C1" C3" 108.3(5) . . ?
C2" C1" C3" 108.1(5) . . ?
F1" C2" F2" 109.0(6) . . ?
F1" C2" F3" 106.7(6) . . ?
F2" C2" F3" 109.5(6) . . ?
F1" C2" C1" 110.1(7) . . ?
F2" C2" C1" 111.5(6) . . ?
F3" C2" C1" 109.9(6) . . ?
F5" C3" F4" 105.7(6) . . ?
F5" C3" F6" 106.8(7) . . ?
F4" C3" F6" 108.8(6) . . ?
F5" C3" C1" 113.7(7) . . ?
F4" C3" C1" 115.1(6) . . ?
F6" C3" C1" 106.4(6) . . ?
F8" C4" F9" 107.8(6) . . ?
F8" C4" F7" 105.7(6) . . ?
F9" C4" F7" 109.4(6) . . ?
F8" C4" C1" 110.9(6) . . ?
F9" C4" C1" 115.3(6) . . ?
F7" C4" C1" 107.4(6) . . ?
C8B O3B C5B 107.5(8) . . ?
C8B O3B Dy1B 125.5(7) . . ?
C5B O3B Dy1B 127.0(6) . . ?
O3B C5B C6B 105.1(10) . . ?
O3B C5B H5BA 110.7 . . ?
C6B C5B H5BA 110.7 . . ?
O3B C5B H5BB 110.7 . . ?
C6B C5B H5BB 110.7 . . ?
H5BA C5B H5BB 108.8 . . ?
C5B C6B C7B 101.6(10) . . ?
C5B C6B H6BA 111.4 . . ?
C7B C6B H6BA 111.4 . . ?
C5B C6B H6BB 111.4 . . ?
C7B C6B H6BB 111.4 . . ?
H6BA C6B H6BB 109.3 . . ?
C8B C7B C6B 103.8(11) . . ?
C8B C7B H7BA 111.0 . . ?
C6B C7B H7BA 111.0 . . ?
C8B C7B H7BB 111.0 . . ?
C6B C7B H7BB 111.0 . . ?
H7BA C7B H7BB 109.0 . . ?
O3B C8B C7B 105.7(8) . . ?
O3B C8B H8BA 110.6 . . ?
C7B C8B H8BA 110.6 . . ?
O3B C8B H8BB 110.6 . . ?
C7B C8B H8BB 110.6 . . ?
H8BA C8B H8BB 108.7 . . ?
C8" O3" C5" 101.8(7) . . ?
C8" O3" Dy1B 133.1(6) . . ?
C5" O3" Dy1B 125.0(6) . . ?
O3" C5" C6" 104.5(8) . . ?
O3" C5" H5"A 110.9 . . ?
C6" C5" H5"A 110.9 . . ?
O3" C5" H5"B 110.9 . . ?
C6" C5" H5"B 110.9 . . ?
H5"A C5" H5"B 108.9 . . ?
C5" C6" C7" 105.1(8) . . ?
C5" C6" H6"A 110.7 . . ?
C7" C6" H6"A 110.7 . . ?
C5" C6" H6"B 110.7 . . ?
C7" C6" H6"B 110.7 . . ?
H6"A C6" H6"B 108.8 . . ?
C8" C7" C6" 105.1(8) . . ?
C8" C7" H7"A 110.7 . . ?
C6" C7" H7"A 110.7 . . ?
C8" C7" H7"B 110.7 . . ?
C6" C7" H7"B 110.7 . . ?
H7"A C7" H7"B 108.8 . . ?
O3" C8" C7" 105.0(8) . . ?
O3" C8" H8"A 110.7 . . ?
C7" C8" H8"A 110.7 . . ?
O3" C8" H8"B 110.7 . . ?
C7" C8" H8"B 110.7 . . ?
H8"A C8" H8"B 108.8 . . ?
C9B O4B C12B 108.8(8) . . ?
C9B O4B Dy1B 119.6(6) . . ?
C12B O4B Dy1B 131.5(7) . . ?
O4B C9B C10B 105.8(8) . . ?
O4B C9B H9BA 110.6 . . ?
C10B C9B H9BA 110.6 . . ?
O4B C9B H9BB 110.6 . . ?
C10B C9B H9BB 110.6 . . ?
H9BA C9B H9BB 108.7 . . ?
C11B C10B C9B 103.2(8) . . ?
C11B C10B H10E 111.1 . . ?
C9B C10B H10E 111.1 . . ?
C11B C10B H10F 111.1 . . ?
C9B C10B H10F 111.1 . . ?
H10E C10B H10F 109.1 . . ?
C12B C11B C10B 104.1(9) . . ?
C12B C11B H11E 110.9 . . ?
C10B C11B H11E 110.9 . . ?
C12B C11B H11F 110.9 . . ?
C10B C11B H11F 110.9 . . ?
H11E C11B H11F 109.0 . . ?
O4B C12B C11B 104.2(8) . . ?
O4B C12B H12C 110.9 . . ?
C11B C12B H12C 110.9 . . ?
O4B C12B H12D 110.9 . . ?
C11B C12B H12D 110.9 . . ?
H12C C12B H12D 108.9 . . ?
C9" O4" C12" 109.6(8) . . ?
C9" O4" Dy1B 126.9(7) . . ?
C12" O4" Dy1B 123.3(6) . . ?
O4" C9" C10" 104.0(9) . . ?
O4" C9" H9"A 111.0 . . ?
C10" C9" H9"A 111.0 . . ?
O4" C9" H9"B 111.0 . . ?
C10" C9" H9"B 111.0 . . ?
H9"A C9" H9"B 109.0 . . ?
C11" C10" C9" 103.1(10) . . ?
C11" C10" H10G 111.1 . . ?
C9" C10" H10G 111.1 . . ?
C11" C10" H10H 111.1 . . ?
C9" C10" H10H 111.1 . . ?
H10G C10" H10H 109.1 . . ?
C12" C11" C10" 104.6(10) . . ?
C12" C11" H11G 110.8 . . ?
C10" C11" H11G 110.8 . . ?
C12" C11" H11H 110.8 . . ?
C10" C11" H11H 110.8 . . ?
H11G C11" H11H 108.9 . . ?
O4" C12" C11" 104.5(9) . . ?
O4" C12" H12E 110.9 . . ?
C11" C12" H12E 110.9 . . ?
O4" C12" H12F 110.9 . . ?
C11" C12" H12F 110.9 . . ?
H12E C12" H12F 108.9 . . ?
C7C B1C C13C 127.7(7) . . ?
C7C B1C C19C 97.5(8) . . ?
C13C B1C C19C 109.8(3) . . ?
C7C B1C C1C 104.1(7) . . ?
C13C B1C C1C 108.7(3) . . ?
C19C B1C C1C 107.1(3) . . ?
C13C B1C C7* 106.0(4) . . ?
C19C B1C C7* 111.9(4) . . ?
C1C B1C C7* 113.2(4) . . ?
C2C C1C C6C 120.0 . . ?
C2C C1C B1C 121.0(3) . . ?
C6C C1C B1C 118.6(3) . . ?
C1C C2C C3C 120.0 . . ?
C1C C2C H2CA 120.0 . . ?
C3C C2C H2CA 120.0 . . ?
C2C C3C C4C 120.0 . . ?
C2C C3C H3CA 120.0 . . ?
C4C C3C H3CA 120.0 . . ?
C5C C4C C3C 120.0 . . ?
C5C C4C H4CA 120.0 . . ?
C3C C4C H4CA 120.0 . . ?
C6C C5C C4C 120.0 . . ?
C6C C5C H5CA 120.0 . . ?
C4C C5C H5CA 120.0 . . ?
C5C C6C C1C 120.0 . . ?
C5C C6C H6CA 120.0 . . ?
C1C C6C H6CA 120.0 . . ?
C8C C7C C12C 120.0 . . ?
C8C C7C B1C 130.3(10) . . ?
C12C C7C B1C 109.5(10) . . ?
C7C C8C C9C 120.0 . . ?
C7C C8C H8CA 120.0 . . ?
C9C C8C H8CA 120.0 . . ?
C10C C9C C8C 120.0 . . ?
C10C C9C H9CA 120.0 . . ?
C8C C9C H9CA 120.0 . . ?
C9C C10C C11C 120.0 . . ?
C9C C10C H10I 120.0 . . ?
C11C C10C H10I 120.0 . . ?
C10C C11C C12C 120.0 . . ?
C10C C11C H11I 120.0 . . ?
C12C C11C H11I 120.0 . . ?
C11C C12C C7C 120.0 . . ?
C11C C12C H12G 120.0 . . ?
C7C C12C H12G 120.0 . . ?
C8* C7* C12* 120.0 . . ?
C8* C7* B1C 117.2(4) . . ?
C12* C7* B1C 122.6(4) . . ?
C7* C8* C9* 120.0 . . ?
C7* C8* H8*A 120.0 . . ?
C9* C8* H8*A 120.0 . . ?
C8* C9* C10* 120.0 . . ?
C8* C9* H9*A 120.0 . . ?
C10* C9* H9*A 120.0 . . ?
C11* C10* C9* 120.0 . . ?
C11* C10* H10J 120.0 . . ?
C9* C10* H10J 120.0 . . ?
C10* C11* C12* 120.0 . . ?
C10* C11* H11J 120.0 . . ?
C12* C11* H11J 120.0 . . ?
C11* C12* C7* 120.0 . . ?
C11* C12* H12H 120.0 . . ?
C7* C12* H12H 120.0 . . ?
C14C C13C C18C 120.0 . . ?
C14C C13C B1C 121.3(3) . . ?
C18C C13C B1C 118.6(3) . . ?
C15C C14C C13C 120.0 . . ?
C15C C14C H14C 120.0 . . ?
C13C C14C H14C 120.0 . . ?
C14C C15C C16C 120.0 . . ?
C14C C15C H15C 120.0 . . ?
C16C C15C H15C 120.0 . . ?
C15C C16C C17C 120.0 . . ?
C15C C16C H16C 120.0 . . ?
C17C C16C H16C 120.0 . . ?
C18C C17C C16C 120.0 . . ?
C18C C17C H17C 120.0 . . ?
C16C C17C H17C 120.0 . . ?
C17C C18C C13C 120.0 . . ?
C17C C18C H18A 120.0 . . ?
C13C C18C H18A 120.0 . . ?
C20C C19C C24C 120.0 . . ?
C20C C19C B1C 119.6(3) . . ?
C24C C19C B1C 120.3(3) . . ?
C21C C20C C19C 120.0 . . ?
C21C C20C H20A 120.0 . . ?
C19C C20C H20A 120.0 . . ?
C20C C21C C22C 120.0 . . ?
C20C C21C H21A 120.0 . . ?
C22C C21C H21A 120.0 . . ?
C21C C22C C23C 120.0 . . ?
C21C C22C H22A 120.0 . . ?
C23C C22C H22A 120.0 . . ?
C24C C23C C22C 120.0 . . ?
C24C C23C H23A 120.0 . . ?
C22C C23C H23A 120.0 . . ?
C23C C24C C19C 120.0 . . ?
C23C C24C H24A 120.0 . . ?
C19C C24C H24A 120.0 . . ?
C4S O1S C1S 100(2) . . ?
O1S C1S C2S 99.0(18) . . ?
O1S C1S H1SA 112.0 . . ?
C2S C1S H1SA 112.0 . . ?
O1S C1S H1SB 112.0 . . ?
C2S C1S H1SB 112.0 . . ?
H1SA C1S H1SB 109.6 . . ?
C3S C2S C1S 123.2(18) . . ?
C3S C2S H2SA 106.5 . . ?
C1S C2S H2SA 106.5 . . ?
C3S C2S H2SB 106.5 . . ?
C1S C2S H2SB 106.5 . . ?
H2SA C2S H2SB 106.5 . . ?
C4S C3S C2S 86.2(17) . . ?
C4S C3S H3SA 114.3 . . ?
C2S C3S H3SA 114.3 . . ?
C4S C3S H3SB 114.3 . . ?
C2S C3S H3SB 114.3 . . ?
H3SA C3S H3SB 111.4 . . ?
O1S C4S C3S 120(2) . . ?
O1S C4S H4SA 107.3 . . ?
C3S C4S H4SA 107.3 . . ?
O1S C4S H4SB 107.3 . . ?
C3S C4S H4SB 107.3 . . ?
H4SA C4S H4SB 106.9 . . ?

_refine_diff_density_max         1.206
_refine_diff_density_min         -1.537
_refine_diff_density_rms         0.097



####################################################################### 
# 
# 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_dyocmephf
_database_code_depnum_ccdc_archive 'CCDC 2071554'
loop_
_audit_author_name
_audit_author_address
'Anton Cherkasov'
;IOMC RAS
Russia
;
_audit_update_record             
;
2021-03-19 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H48 Dy F10 O7, C24 H20 B, 2(C4 H8 O)'
_chemical_formula_sum            'C68 H84 B Dy F10 O9'
_chemical_formula_weight         1408.66

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'
B B 0.0013 0.0007 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.8988(3)
_cell_length_b                   17.6320(3)
_cell_length_c                   38.9502(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.056(2)
_cell_angle_gamma                90
_cell_volume                     12928.6(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    11015
_cell_measurement_theta_min      3.3900
_cell_measurement_theta_max      26.2350

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_F_000             5800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.540
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    1.241
_shelx_estimated_absorpt_T_min   0.554
_shelx_estimated_absorpt_T_max   0.781
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_T_max  0.795
_exptl_absorpt_process_details   
;
CrysAlis Pro 1.171.41.95a. Analytical numeric absorption correction
using a multifaceted crystal model based on expressions
derived by R.C. Clark & J.S. Reid. Empirical absorption correction
using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Rigaku OD Xcalibur (CCD)'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27770
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.164
_diffrn_reflns_theta_max         26.021
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12690
_reflns_number_gt                10557
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlis Pro 1.171.41.95a'
_computing_cell_refinement       'CrysAlis Pro 1.171.41.95a'
_computing_data_reduction        'CrysAlis Pro 1.171.41.95a'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL 2018/3'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0472P)²+57.3085P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12690
_refine_ls_number_parameters     1019
_refine_ls_number_restraints     1676
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.1140
_refine_ls_wR_factor_gt          0.1073
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.062
_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
Dy1 Dy 0.24118(2) 0.48636(2) 0.37261(2) 0.02368(7) Uani 1 1 d . . . . .
O1 O 0.24122(16) 0.50319(18) 0.42608(7) 0.0341(7) Uani 1 1 d D . . . .
C1 C 0.2257(4) 0.4884(6) 0.46081(17) 0.037(2) Uani 0.402(3) 1 d D . P A 1
H1A H 0.197165 0.440773 0.461577 0.045 Uiso 0.402(3) 1 calc R U P A 1
C2 C 0.2954(3) 0.4809(4) 0.48558(13) 0.0396(15) Uani 0.402(3) 1 d DG U P A 1
C3 C 0.3131(4) 0.4135(3) 0.50278(14) 0.0530(17) Uani 0.402(3) 1 d DG U P A 1
F1 F 0.2682(4) 0.3554(4) 0.49930(18) 0.0640(13) Uani 0.402(3) 1 d D U P A 1
C4 C 0.3769(4) 0.4076(3) 0.52327(14) 0.0594(16) Uani 0.402(3) 1 d DG U P A 1
F2 F 0.3975(6) 0.3459(5) 0.5404(2) 0.0825(17) Uani 0.402(3) 1 d D U P A 1
C5 C 0.4230(3) 0.4691(5) 0.52656(15) 0.0581(14) Uani 0.402(3) 1 d DG U P A 1
F3 F 0.4843(4) 0.4635(6) 0.5462(2) 0.0723(17) Uani 0.402(3) 1 d D U P A 1
C6 C 0.4054(3) 0.5365(4) 0.50936(17) 0.0558(16) Uani 0.402(3) 1 d DG U P A 1
F4 F 0.4527(4) 0.5922(5) 0.5140(3) 0.079(2) Uani 0.402(3) 1 d D U P A 1
C7 C 0.3416(4) 0.5424(3) 0.48886(14) 0.0426(15) Uani 0.402(3) 1 d DG U P A 1
F5 F 0.3297(4) 0.6084(4) 0.47366(17) 0.0553(11) Uani 0.402(3) 1 d D U P A 1
C8 C 0.184(2) 0.5546(17) 0.4733(16) 0.043(2) Uani 0.402(3) 1 d D U P A 1
H8A H 0.136886 0.556645 0.460185 0.065 Uiso 0.402(3) 1 calc R U P A 1
H8B H 0.209182 0.602012 0.470016 0.065 Uiso 0.402(3) 1 calc R U P A 1
H8C H 0.177264 0.548027 0.497856 0.065 Uiso 0.402(3) 1 calc R U P A 1
C1' C 0.2471(3) 0.5476(4) 0.45677(15) 0.0310(16) Uani 0.598(3) 1 d D U P A 2
H1B H 0.261416 0.600181 0.450641 0.037 Uiso 0.598(3) 1 calc R U P A 2
C2' C 0.3070(2) 0.5135(3) 0.48238(8) 0.0396(15) Uani 0.598(3) 1 d DG U P A 2
C3' C 0.3025(2) 0.4398(3) 0.49464(10) 0.0530(17) Uani 0.598(3) 1 d DG U P A 2
F1' F 0.2458(3) 0.3978(3) 0.48543(12) 0.0640(13) Uani 0.598(3) 1 d D U P A 2
C4' C 0.3575(3) 0.4100(2) 0.51663(11) 0.0594(16) Uani 0.598(3) 1 d DG U P A 2
F2' F 0.3545(4) 0.3398(3) 0.52874(15) 0.0825(17) Uani 0.598(3) 1 d D U P A 2
C5' C 0.4170(2) 0.4539(3) 0.52635(10) 0.0581(14) Uani 0.598(3) 1 d DG U P A 2
F3' F 0.4706(3) 0.4264(4) 0.54726(14) 0.0723(17) Uani 0.598(3) 1 d D U P A 2
C6' C 0.4215(2) 0.5277(3) 0.51409(11) 0.0558(16) Uani 0.598(3) 1 d DG U P A 2
F4' F 0.4780(3) 0.5705(4) 0.52330(16) 0.079(2) Uani 0.598(3) 1 d D U P A 2
C7' C 0.3665(3) 0.5575(2) 0.49210(10) 0.0426(15) Uani 0.598(3) 1 d DG U P A 2
F5' F 0.3744(3) 0.6277(3) 0.48137(12) 0.0553(11) Uani 0.598(3) 1 d D U P A 2
C8' C 0.1761(13) 0.5523(12) 0.4721(11) 0.043(2) Uani 0.598(3) 1 d D U P A 2
H8D H 0.141546 0.578229 0.455950 0.065 Uiso 0.598(3) 1 calc R U P A 2
H8E H 0.181831 0.580653 0.493836 0.065 Uiso 0.598(3) 1 calc R U P A 2
H8F H 0.159123 0.500980 0.476528 0.065 Uiso 0.598(3) 1 calc R U P A 2
O2 O 0.24142(18) 0.47462(17) 0.31894(7) 0.0364(8) Uani 1 1 d D . . . .
C9 C 0.2314(4) 0.4555(4) 0.28306(13) 0.0389(16) Uani 0.669(6) 1 d D . P B 1
H9A H 0.194462 0.414813 0.280502 0.047 Uiso 0.669(6) 1 calc R U P B 1
C10 C 0.2028(3) 0.5246(2) 0.26017(9) 0.0431(15) Uani 0.669(6) 1 d DG U P B 1
C11 C 0.1307(3) 0.5269(2) 0.24962(10) 0.0530(17) Uani 0.669(6) 1 d DG U P B 1
F6 F 0.0857(3) 0.4750(3) 0.25742(13) 0.0642(14) Uani 0.669(6) 1 d D U P B 1
C12 C 0.1029(2) 0.5871(3) 0.22965(11) 0.0639(19) Uani 0.669(6) 1 d DG U P B 1
F7 F 0.0343(3) 0.5906(6) 0.21918(19) 0.0995(19) Uani 0.669(6) 1 d D U P B 1
C13 C 0.1473(3) 0.6449(3) 0.22023(11) 0.0706(19) Uani 0.669(6) 1 d DG U P B 1
F8 F 0.1182(5) 0.7013(4) 0.20121(17) 0.107(3) Uani 0.669(6) 1 d D U P B 1
C14 C 0.2195(3) 0.6425(2) 0.23079(11) 0.0706(19) Uani 0.669(6) 1 d DG U P B 1
F9 F 0.2552(4) 0.7016(3) 0.21958(15) 0.0892(18) Uani 0.669(6) 1 d D U P B 1
C15 C 0.2473(2) 0.5824(3) 0.25076(10) 0.0539(17) Uani 0.669(6) 1 d DG U P B 1
F10 F 0.3161(3) 0.5836(4) 0.26003(15) 0.0905(19) Uani 0.669(6) 1 d D U P B 1
C16 C 0.3006(5) 0.4211(6) 0.2730(4) 0.057(3) Uani 0.669(6) 1 d D U P B 1
H16A H 0.296166 0.409642 0.248321 0.085 Uiso 0.669(6) 1 calc R U P B 1
H16B H 0.310558 0.374219 0.286120 0.085 Uiso 0.669(6) 1 calc R U P B 1
H16C H 0.339463 0.457162 0.278234 0.085 Uiso 0.669(6) 1 calc R U P B 1
C9' C 0.2761(6) 0.4759(7) 0.2884(2) 0.038(3) Uani 0.331(6) 1 d D U P B 2
H9'A H 0.325164 0.495888 0.294183 0.046 Uiso 0.331(6) 1 calc R U P B 2
C10' C 0.2353(5) 0.5341(4) 0.26385(19) 0.0431(15) Uani 0.331(6) 1 d DG U P B 2
C11' C 0.1629(5) 0.5312(4) 0.2538(2) 0.0530(17) Uani 0.331(6) 1 d DG U P B 2
F6' F 0.1229(6) 0.4773(5) 0.2658(3) 0.0642(14) Uani 0.331(6) 1 d D U P B 2
C12' C 0.1321(5) 0.5850(6) 0.2311(2) 0.0639(19) Uani 0.331(6) 1 d DG U P B 2
F7' F 0.0638(6) 0.5869(12) 0.2200(4) 0.0995(19) Uani 0.331(6) 1 d D U P B 2
C13' C 0.1737(6) 0.6418(5) 0.2184(2) 0.0706(19) Uani 0.331(6) 1 d DG U P B 2
F8' F 0.1562(11) 0.6982(8) 0.1969(4) 0.107(3) Uani 0.331(6) 1 d D U P B 2
C14' C 0.2461(6) 0.6447(4) 0.2284(2) 0.0706(19) Uani 0.331(6) 1 d DG U P B 2
F9' F 0.2968(7) 0.6914(6) 0.2204(3) 0.0892(18) Uani 0.331(6) 1 d D U P B 2
C15' C 0.2769(5) 0.5909(5) 0.2512(2) 0.0539(17) Uani 0.331(6) 1 d DG U P B 2
F10' F 0.3458(5) 0.6003(9) 0.2586(3) 0.0905(19) Uani 0.331(6) 1 d D U P B 2
C16' C 0.2826(16) 0.3994(12) 0.2711(9) 0.057(3) Uani 0.331(6) 1 d D U P B 2
H16D H 0.236190 0.374196 0.269028 0.085 Uiso 0.331(6) 1 calc R U P B 2
H16E H 0.316896 0.367966 0.285074 0.085 Uiso 0.331(6) 1 calc R U P B 2
H16F H 0.298890 0.406600 0.248159 0.085 Uiso 0.331(6) 1 calc R U P B 2
O3 O 0.17421(15) 0.60259(16) 0.36116(7) 0.0302(7) Uani 1 1 d D . . . .
C17 C 0.1233(2) 0.6151(3) 0.33176(10) 0.0349(10) Uani 1 1 d D . . . .
H17A H 0.099937 0.566885 0.324312 0.042 Uiso 1 1 calc R U . . .
H17B H 0.147208 0.636202 0.312237 0.042 Uiso 1 1 calc R U . . .
C18 C 0.0704(3) 0.6698(4) 0.34312(14) 0.079(2) Uani 1 1 d D . . . .
H18A H 0.023589 0.644881 0.343729 0.095 Uiso 1 1 calc R U . . .
H18B H 0.065119 0.713228 0.327000 0.095 Uiso 1 1 calc R U . . .
C19 C 0.0969(2) 0.6963(3) 0.37821(12) 0.0461(12) Uani 1 1 d D . . . .
H19A H 0.068153 0.674551 0.395851 0.055 Uiso 1 1 calc R U . . .
H19B H 0.095076 0.752316 0.379651 0.055 Uiso 1 1 calc R U . . .
C20 C 0.1718(2) 0.6687(2) 0.38323(11) 0.0364(11) Uani 1 1 d D . . . .
H20A H 0.205138 0.708194 0.376442 0.044 Uiso 1 1 calc R U . . .
H20B H 0.184600 0.654901 0.407625 0.044 Uiso 1 1 calc R U . . .
O4 O 0.32736(16) 0.58741(17) 0.37199(7) 0.0333(7) Uani 1 1 d D . . . .
C21 C 0.3384(2) 0.6410(2) 0.34477(10) 0.0328(10) Uani 1 1 d D . . . .
H21A H 0.292412 0.657198 0.332923 0.039 Uiso 1 1 calc R U . . .
H21B H 0.367543 0.617993 0.327598 0.039 Uiso 1 1 calc R U . . .
C22 C 0.3765(3) 0.7074(3) 0.36208(11) 0.0448(12) Uani 1 1 d D . . . .
H22A H 0.417310 0.722833 0.349427 0.054 Uiso 1 1 calc R U . . .
H22B H 0.343951 0.751206 0.363218 0.054 Uiso 1 1 calc R U . . .
C23 C 0.4011(3) 0.6802(2) 0.39747(13) 0.0497(13) Uani 1 1 d D . . . .
H23A H 0.374791 0.706268 0.414909 0.060 Uiso 0.747(9) 1 calc R U P C 1
H23B H 0.452474 0.690464 0.402619 0.060 Uiso 0.747(9) 1 calc R U P C 1
H23C H 0.449751 0.659067 0.398023 0.060 Uiso 0.253(9) 1 calc R U P C 2
H23D H 0.401023 0.722135 0.414368 0.060 Uiso 0.253(9) 1 calc R U P C 2
C24 C 0.3870(3) 0.5962(3) 0.39791(14) 0.0367(15) Uani 0.747(9) 1 d D . P C 1
H24A H 0.428844 0.567121 0.391673 0.044 Uiso 0.747(9) 1 calc R U P C 1
H24B H 0.374438 0.579437 0.420850 0.044 Uiso 0.747(9) 1 calc R U P C 1
C24' C 0.3497(10) 0.6208(10) 0.40517(19) 0.0367(15) Uani 0.253(9) 1 d D . P C 2
H24C H 0.372425 0.582340 0.421054 0.044 Uiso 0.253(9) 1 calc R U P C 2
H24D H 0.308739 0.643086 0.415753 0.044 Uiso 0.253(9) 1 calc R U P C 2
O5 O 0.36058(16) 0.43094(18) 0.38047(8) 0.0382(8) Uani 1 1 d D . . . .
C25 C 0.4102(3) 0.4303(4) 0.35416(15) 0.069(2) Uani 1 1 d D . . . .
H25A H 0.422803 0.482786 0.348018 0.083 Uiso 1 1 calc R U . . .
H25B H 0.388996 0.404490 0.333147 0.083 Uiso 1 1 calc R U . . .
C26 C 0.4739(3) 0.3892(4) 0.36858(14) 0.0682(19) Uani 1 1 d D . . . .
H26A H 0.514686 0.424396 0.372083 0.082 Uiso 1 1 calc R U . . .
H26B H 0.486187 0.348665 0.352543 0.082 Uiso 1 1 calc R U . . .
C27 C 0.4581(3) 0.3560(5) 0.40178(15) 0.078(2) Uani 1 1 d D . . . .
H27A H 0.496019 0.368889 0.420007 0.094 Uiso 1 1 calc R U . . .
H27B H 0.454801 0.300052 0.399922 0.094 Uiso 1 1 calc R U . . .
C28 C 0.3893(2) 0.3882(3) 0.41018(12) 0.0438(12) Uani 1 1 d D . . . .
H28A H 0.356278 0.347002 0.415363 0.053 Uiso 1 1 calc R U . . .
H28B H 0.396488 0.421666 0.430584 0.053 Uiso 1 1 calc R U . . .
O6 O 0.23139(17) 0.35016(16) 0.37869(7) 0.0337(7) Uani 1 1 d D . . . .
C29 C 0.2466(3) 0.2944(2) 0.35284(12) 0.0438(12) Uani 1 1 d D . . . .
H29A H 0.298152 0.283812 0.353819 0.053 Uiso 1 1 calc R U . . .
H29B H 0.230221 0.312602 0.329421 0.053 Uiso 1 1 calc R U . . .
C30 C 0.2064(4) 0.2251(3) 0.36179(12) 0.0581(16) Uani 1 1 d D . . . .
H30A H 0.228484 0.178478 0.353495 0.070 Uiso 1 1 calc R U . . .
H30B H 0.156186 0.227591 0.352107 0.070 Uiso 1 1 calc R U . . .
C31 C 0.2123(4) 0.2286(3) 0.40045(12) 0.0624(17) Uani 1 1 d D . . . .
H31A H 0.173981 0.199017 0.409908 0.075 Uiso 1 1 calc R U . . .
H31B H 0.258839 0.209016 0.410279 0.075 Uiso 1 1 calc R U . . .
C32 C 0.2051(3) 0.3111(2) 0.40791(11) 0.0385(11) Uani 1 1 d D . . . .
H32A H 0.154761 0.324418 0.410100 0.046 Uiso 1 1 calc R U . . .
H32B H 0.233515 0.324915 0.429565 0.046 Uiso 1 1 calc R U . . .
O7 O 0.11552(15) 0.45385(18) 0.37047(7) 0.0346(7) Uani 1 1 d D . . . .
C33 C 0.0788(3) 0.4055(3) 0.34461(12) 0.0483(13) Uani 1 1 d D . . . .
H33A H 0.091000 0.351859 0.349756 0.058 Uiso 0.379(15) 1 calc R U P D 1
H33B H 0.094654 0.417895 0.321702 0.058 Uiso 0.379(15) 1 calc R U P D 1
H33C H 0.110131 0.364441 0.337492 0.058 Uiso 0.621(15) 1 calc R U P D 2
H33D H 0.060735 0.434969 0.324046 0.058 Uiso 0.621(15) 1 calc R U P D 2
C34 C 0.0014(4) 0.4157(9) 0.3439(3) 0.046(4) Uani 0.379(15) 1 d D . P D 1
H34A H -0.025830 0.369848 0.336220 0.055 Uiso 0.379(15) 1 calc R U P D 1
H34B H -0.016229 0.460558 0.330373 0.055 Uiso 0.379(15) 1 calc R U P D 1
C35 C 0.0052(11) 0.428(2) 0.3819(4) 0.082(10) Uani 0.379(15) 1 d D . P D 1
H35A H 0.005786 0.377915 0.393377 0.099 Uiso 0.379(15) 1 calc R U P D 1
H35B H -0.038484 0.454645 0.387429 0.099 Uiso 0.379(15) 1 calc R U P D 1
C34' C 0.0191(4) 0.3746(6) 0.3635(3) 0.065(4) Uani 0.621(15) 1 d D . P D 2
H34C H -0.022514 0.363770 0.346898 0.078 Uiso 0.621(15) 1 calc R U P D 2
H34D H 0.033979 0.326609 0.375169 0.078 Uiso 0.621(15) 1 calc R U P D 2
C35' C -0.0006(5) 0.4313(8) 0.3893(4) 0.063(4) Uani 0.621(15) 1 d D . P D 2
H35C H -0.015663 0.406397 0.410294 0.075 Uiso 0.621(15) 1 calc R U P D 2
H35D H -0.038776 0.465510 0.379643 0.075 Uiso 0.621(15) 1 calc R U P D 2
C36 C 0.0680(2) 0.4724(3) 0.39660(13) 0.0467(13) Uani 1 1 d D . . . .
H36A H 0.057895 0.527438 0.397505 0.056 Uiso 0.379(15) 1 calc R U P D 1
H36B H 0.086122 0.454104 0.419747 0.056 Uiso 0.379(15) 1 calc R U P D 1
H36C H 0.059202 0.527764 0.396642 0.056 Uiso 0.621(15) 1 calc R U P D 2
H36D H 0.090173 0.457827 0.419626 0.056 Uiso 0.621(15) 1 calc R U P D 2
B1 B 0.2575(3) 0.5476(3) 0.62527(12) 0.0279(10) Uani 1 1 d . . . . .
C37 C 0.2720(2) 0.6077(2) 0.59421(10) 0.0250(8) Uani 1 1 d . . . . .
C38 C 0.2158(3) 0.6509(2) 0.57870(10) 0.0304(9) Uani 1 1 d . . . . .
H38A H 0.169696 0.643740 0.586150 0.036 Uiso 1 1 calc R U . . .
C39 C 0.2243(3) 0.7036(2) 0.55293(11) 0.0337(10) Uani 1 1 d . . . . .
H39A H 0.184316 0.730747 0.542828 0.040 Uiso 1 1 calc R U . . .
C40 C 0.2905(3) 0.7166(3) 0.54197(11) 0.0341(10) Uani 1 1 d . . . . .
H40A H 0.296779 0.752843 0.524434 0.041 Uiso 1 1 calc R U . . .
C41 C 0.3476(3) 0.6761(3) 0.55690(11) 0.0352(10) Uani 1 1 d . . . . .
H41A H 0.393817 0.684886 0.549876 0.042 Uiso 1 1 calc R U . . .
C42 C 0.3377(2) 0.6224(3) 0.58230(10) 0.0308(9) Uani 1 1 d . . . . .
H42A H 0.377685 0.594543 0.591877 0.037 Uiso 1 1 calc R U . . .
C43 C 0.1969(2) 0.4857(3) 0.61138(12) 0.0327(9) Uani 1 1 d . . . . .
C44 C 0.1729(3) 0.4752(3) 0.57684(12) 0.0368(11) Uani 1 1 d . . . . .
H44A H 0.191504 0.507202 0.560193 0.044 Uiso 1 1 calc R U . . .
C45 C 0.1232(3) 0.4207(3) 0.56537(15) 0.0505(13) Uani 1 1 d . . . . .
H45A H 0.108142 0.416879 0.541515 0.061 Uiso 1 1 calc R U . . .
C46 C 0.0960(3) 0.3724(3) 0.58855(17) 0.0630(17) Uani 1 1 d . . . . .
H46A H 0.061035 0.335896 0.581011 0.076 Uiso 1 1 calc R U . . .
C47 C 0.1201(3) 0.3777(3) 0.62291(16) 0.0605(16) Uani 1 1 d . . . . .
H47A H 0.103387 0.343186 0.639082 0.073 Uiso 1 1 calc R U . . .
C48 C 0.1690(3) 0.4337(3) 0.63395(14) 0.0459(12) Uani 1 1 d . . . . .
H48A H 0.184044 0.436913 0.657830 0.055 Uiso 1 1 calc R U . . .
C49 C 0.3279(2) 0.4985(2) 0.63840(11) 0.0290(9) Uani 1 1 d . . . . .
C50 C 0.3627(2) 0.4548(3) 0.61508(12) 0.0346(10) Uani 1 1 d . . . . .
H50A H 0.345371 0.455217 0.591433 0.042 Uiso 1 1 calc R U . . .
C51 C 0.4214(3) 0.4109(3) 0.62536(14) 0.0454(12) Uani 1 1 d . . . . .
H51A H 0.443690 0.382195 0.608709 0.055 Uiso 1 1 calc R U . . .
C52 C 0.4480(3) 0.4082(3) 0.65952(15) 0.0528(14) Uani 1 1 d . . . . .
H52A H 0.488775 0.378531 0.666444 0.063 Uiso 1 1 calc R U . . .
C53 C 0.4139(3) 0.4498(4) 0.68360(15) 0.0571(15) Uani 1 1 d . . . . .
H53A H 0.430877 0.448250 0.707284 0.068 Uiso 1 1 calc R U . . .
C54 C 0.3552(3) 0.4933(3) 0.67287(12) 0.0440(12) Uani 1 1 d . . . . .
H54A H 0.332405 0.520916 0.689686 0.053 Uiso 1 1 calc R U . . .
C55 C 0.2334(3) 0.6006(3) 0.65687(11) 0.0357(10) Uani 1 1 d . . . . .
C56 C 0.1697(3) 0.5938(3) 0.67250(12) 0.0475(13) Uani 1 1 d . . . . .
H56A H 0.136531 0.556055 0.664273 0.057 Uiso 1 1 calc R U . . .
C57 C 0.1528(4) 0.6403(4) 0.69973(14) 0.0633(16) Uani 1 1 d . . . . .
H57A H 0.109830 0.632951 0.710221 0.076 Uiso 1 1 calc R U . . .
C58 C 0.1990(5) 0.6965(4) 0.71104(16) 0.077(2) Uani 1 1 d . . . . .
H58A H 0.186633 0.729789 0.728724 0.093 Uiso 1 1 calc R U . . .
C59 C 0.2624(4) 0.7054(3) 0.69743(13) 0.0603(16) Uani 1 1 d . . . . .
H59A H 0.295036 0.743227 0.706085 0.072 Uiso 1 1 calc R U . . .
C60 C 0.2785(3) 0.6576(3) 0.67024(12) 0.0452(13) Uani 1 1 d . . . . .
H60A H 0.322407 0.664641 0.660547 0.054 Uiso 1 1 calc R U . . .
O1S O 0.4553(2) 0.1075(2) 0.52338(12) 0.0665(12) Uani 1 1 d D . . . .
C1S C 0.4354(4) 0.1854(4) 0.52503(18) 0.0700(18) Uani 1 1 d D . . . .
H1SA H 0.446275 0.205207 0.548699 0.084 Uiso 1 1 calc R U . . .
H1SB H 0.383881 0.191380 0.518559 0.084 Uiso 1 1 calc R U . . .
C2S C 0.4770(4) 0.2273(3) 0.5005(2) 0.075(2) Uani 1 1 d D . . . .
H2SA H 0.496393 0.274953 0.510870 0.089 Uiso 1 1 calc R U . . .
H2SB H 0.446981 0.239545 0.479045 0.089 Uiso 1 1 calc R U . . .
C3S C 0.5359(3) 0.1738(4) 0.49313(18) 0.0673(17) Uani 1 1 d D . . . .
H3SA H 0.531804 0.158964 0.468522 0.081 Uiso 1 1 calc R U . . .
H3SB H 0.582830 0.197846 0.498810 0.081 Uiso 1 1 calc R U . . .
C4S C 0.5273(3) 0.1071(4) 0.5153(2) 0.079(2) Uani 1 1 d D . . . .
H4SA H 0.537892 0.059823 0.503067 0.095 Uiso 1 1 calc R U . . .
H4SB H 0.559751 0.110532 0.536662 0.095 Uiso 1 1 calc R U . . .
O2S O 0.025(2) 0.3134(12) 0.2692(8) 0.074(9) Uani 0.285(3) 1 d D . P E -1
C5S C 0.013(2) 0.2404(17) 0.2829(10) 0.058(11) Uani 0.285(3) 1 d D . P E -1
H5SA H -0.021261 0.243371 0.300608 0.070 Uiso 0.285(3) 1 calc R U P E -1
H5SB H 0.058234 0.219261 0.293631 0.070 Uiso 0.285(3) 1 calc R U P E -1
C6S C -0.0155(16) 0.1917(10) 0.2538(10) 0.064(9) Uani 0.285(3) 1 d D . P E -1
H6SA H -0.059317 0.165643 0.259467 0.077 Uiso 0.285(3) 1 calc R U P E -1
H6SB H 0.019924 0.153054 0.248416 0.077 Uiso 0.285(3) 1 calc R U P E -1
C7S C -0.031(3) 0.2456(18) 0.2232(9) 0.074(17) Uani 0.285(3) 1 d D . P E -1
H7SA H 0.001590 0.236507 0.205224 0.089 Uiso 0.285(3) 1 calc R U P E -1
H7SB H -0.080746 0.239573 0.213004 0.089 Uiso 0.285(3) 1 calc R U P E -1
C8S C -0.020(2) 0.3213(13) 0.2387(9) 0.042(7) Uani 0.285(3) 1 d D . P E -1
H8SA H 0.002234 0.355308 0.222466 0.051 Uiso 0.285(3) 1 calc R U P E -1
H8SB H -0.066016 0.343605 0.243718 0.051 Uiso 0.285(3) 1 calc R U P E -1
O2" O 0.0549(11) 0.1973(11) 0.2310(5) 0.063(5) Uani 0.215(3) 1 d D . P F -2
C5" C 0.0657(13) 0.2283(16) 0.2655(5) 0.048(7) Uani 0.215(3) 1 d D . P F -2
H5SC H 0.103055 0.267777 0.266717 0.057 Uiso 0.215(3) 1 calc R U P F -2
H5SD H 0.079833 0.187973 0.282385 0.057 Uiso 0.215(3) 1 calc R U P F -2
C6" C -0.0042(17) 0.262(3) 0.2724(6) 0.061(12) Uani 0.215(3) 1 d D . P F -2
H6SC H 0.002021 0.312178 0.283239 0.073 Uiso 0.215(3) 1 calc R U P F -2
H6SD H -0.029554 0.228187 0.287668 0.073 Uiso 0.215(3) 1 calc R U P F -2
C7" C -0.0449(15) 0.268(3) 0.2365(6) 0.058(11) Uani 0.215(3) 1 d D . P F -2
H7SC H -0.084555 0.230685 0.233968 0.069 Uiso 0.215(3) 1 calc R U P F -2
H7SD H -0.064103 0.319297 0.232326 0.069 Uiso 0.215(3) 1 calc R U P F -2
C8" C 0.0092(14) 0.2497(17) 0.2128(5) 0.031(7) Uani 0.215(3) 1 d D . P F -2
H8SC H -0.012859 0.227010 0.191222 0.037 Uiso 0.215(3) 1 calc R U P F -2
H8SD H 0.035480 0.295929 0.207106 0.037 Uiso 0.215(3) 1 calc R U P F -2
O3S O 0.471(2) 0.601(2) 0.7580(10) 0.133(10) Uani 0.211(3) 1 d D U P G -1
C9S C 0.500(3) 0.666(3) 0.7762(10) 0.110(11) Uani 0.211(3) 1 d D U P G -1
H9SA H 0.533508 0.649405 0.795650 0.131 Uiso 0.211(3) 1 calc R U P G -1
H9SB H 0.460915 0.694764 0.785620 0.131 Uiso 0.211(3) 1 calc R U P G -1
C10S C 0.536(3) 0.713(3) 0.7517(11) 0.093(10) Uani 0.211(3) 1 d D U P G -1
H10A H 0.588338 0.713629 0.758033 0.112 Uiso 0.211(3) 1 calc R U P G -1
H10B H 0.518824 0.766254 0.751882 0.112 Uiso 0.211(3) 1 calc R U P G -1
C11S C 0.520(2) 0.678(2) 0.7163(9) 0.082(8) Uani 0.211(3) 1 d D U P G -1
H11A H 0.489227 0.711967 0.701190 0.098 Uiso 0.211(3) 1 calc R U P G -1
H11B H 0.563835 0.667338 0.705303 0.098 Uiso 0.211(3) 1 calc R U P G -1
C12S C 0.482(3) 0.608(2) 0.7228(9) 0.111(10) Uani 0.211(3) 1 d D U P G -1
H12A H 0.436083 0.606933 0.708834 0.133 Uiso 0.211(3) 1 calc R U P G -1
H12B H 0.510668 0.563964 0.715871 0.133 Uiso 0.211(3) 1 calc R U P G -1
O3" O 0.4877(14) 0.7205(13) 0.7246(6) 0.111(6) Uani 0.289(3) 1 d D U P H -2
C9" C 0.544(2) 0.7215(19) 0.7509(9) 0.080(7) Uani 0.289(3) 1 d D U P H -2
H9SC H 0.545078 0.769846 0.763806 0.096 Uiso 0.289(3) 1 calc R U P H -2
H9SD H 0.590521 0.715405 0.740905 0.096 Uiso 0.289(3) 1 calc R U P H -2
C10" C 0.5313(18) 0.6561(16) 0.7741(8) 0.059(6) Uani 0.289(3) 1 d D U P H -2
H10C H 0.499052 0.670484 0.791660 0.071 Uiso 0.289(3) 1 calc R U P H -2
H10D H 0.576301 0.636361 0.785681 0.071 Uiso 0.289(3) 1 calc R U P H -2
C11" C 0.496(4) 0.5978(10) 0.7482(15) 0.072(5) Uani 0.289(3) 1 d D U P H -2
H11C H 0.532021 0.569075 0.736406 0.087 Uiso 0.289(3) 1 calc R U P H -2
H11D H 0.465279 0.562005 0.759484 0.087 Uiso 0.289(3) 1 calc R U P H -2
C12" C 0.454(2) 0.6497(17) 0.7241(10) 0.082(7) Uani 0.289(3) 1 d D U P H -2
H12C H 0.451166 0.628574 0.700492 0.098 Uiso 0.289(3) 1 calc R U P H -2
H12D H 0.405585 0.655107 0.731223 0.098 Uiso 0.289(3) 1 calc R U P H -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 O2 2.101(3) . ?
Dy1 O1 2.104(3) . ?
Dy1 O4 2.415(3) . ?
Dy1 O6 2.422(3) . ?
Dy1 O3 2.429(3) . ?
Dy1 O7 2.437(3) . ?
Dy1 O5 2.453(3) . ?
O1 C1' 1.425(6) . ?
O1 C1 1.433(6) . ?
C1 C8 1.518(10) . ?
C1 C2 1.569(6) . ?
C1 H1A 1.0000 . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 F1 1.331(5) . ?
C3 C4 1.3900 . ?
C4 F2 1.318(5) . ?
C4 C5 1.3900 . ?
C5 F3 1.334(5) . ?
C5 C6 1.3900 . ?
C6 F4 1.329(5) . ?
C6 C7 1.3900 . ?
C7 F5 1.315(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C1' C8' 1.518(10) . ?
C1' C2' 1.563(6) . ?
C1' H1B 1.0000 . ?
C2' C3' 1.3900 . ?
C2' C7' 1.3900 . ?
C3' F1' 1.326(4) . ?
C3' C4' 1.3900 . ?
C4' F2' 1.329(4) . ?
C4' C5' 1.3900 . ?
C5' F3' 1.335(4) . ?
C5' C6' 1.3900 . ?
C6' F4' 1.332(4) . ?
C6' C7' 1.3900 . ?
C7' F5' 1.320(4) . ?
C8' H8D 0.9800 . ?
C8' H8E 0.9800 . ?
C8' H8F 0.9800 . ?
O2 C9' 1.409(7) . ?
O2 C9 1.434(5) . ?
C9 C16 1.522(9) . ?
C9 C10 1.577(6) . ?
C9 H9A 1.0000 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 F6 1.303(4) . ?
C11 C12 1.3900 . ?
C12 F7 1.326(4) . ?
C12 C13 1.3900 . ?
C13 F8 1.330(4) . ?
C13 C14 1.3900 . ?
C14 F9 1.335(4) . ?
C14 C15 1.3900 . ?
C15 F10 1.320(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C9' C16' 1.516(10) . ?
C9' C10' 1.559(7) . ?
C9' H9'A 1.0000 . ?
C10' C11' 1.3900 . ?
C10' C15' 1.3900 . ?
C11' F6' 1.325(5) . ?
C11' C12' 1.3900 . ?
C12' F7' 1.325(5) . ?
C12' C13' 1.3900 . ?
C13' F8' 1.323(5) . ?
C13' C14' 1.3900 . ?
C14' F9' 1.322(5) . ?
C14' C15' 1.3900 . ?
C15' F10' 1.320(5) . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
O3 C17 1.446(4) . ?
O3 C20 1.451(4) . ?
C17 C18 1.485(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.489(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.494(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
O4 C24' 1.449(5) . ?
O4 C21 1.449(4) . ?
O4 C24 1.454(4) . ?
C21 C22 1.502(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.495(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24' 1.478(5) . ?
C23 C24 1.505(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 H23C 0.9900 . ?
C23 H23D 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24' H24C 0.9900 . ?
C24' H24D 0.9900 . ?
O5 C28 1.447(4) . ?
O5 C25 1.450(4) . ?
C25 C26 1.473(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.474(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.480(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
O6 C29 1.453(4) . ?
O6 C32 1.455(4) . ?
C29 C30 1.496(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.501(5) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.492(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
O7 C33 1.449(4) . ?
O7 C36 1.453(4) . ?
C33 C34 1.473(5) . ?
C33 C34' 1.503(5) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 H33C 0.9900 . ?
C33 H33D 0.9900 . ?
C34 C35 1.492(6) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.493(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C34' C35' 1.490(5) . ?
C34' H34C 0.9900 . ?
C34' H34D 0.9900 . ?
C35' C36 1.490(5) . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 H36C 0.9900 . ?
C36 H36D 0.9900 . ?
B1 C49 1.632(7) . ?
B1 C43 1.640(7) . ?
B1 C55 1.641(6) . ?
B1 C37 1.649(6) . ?
C37 C42 1.386(6) . ?
C37 C38 1.401(6) . ?
C38 C39 1.387(6) . ?
C38 H38A 0.9500 . ?
C39 C40 1.377(7) . ?
C39 H39A 0.9500 . ?
C40 C41 1.379(7) . ?
C40 H40A 0.9500 . ?
C41 C42 1.395(6) . ?
C41 H41A 0.9500 . ?
C42 H42A 0.9500 . ?
C43 C44 1.394(6) . ?
C43 C48 1.404(6) . ?
C44 C45 1.389(7) . ?
C44 H44A 0.9500 . ?
C45 C46 1.375(8) . ?
C45 H45A 0.9500 . ?
C46 C47 1.378(8) . ?
C46 H46A 0.9500 . ?
C47 C48 1.394(8) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C49 C50 1.398(6) . ?
C49 C54 1.398(6) . ?
C50 C51 1.383(7) . ?
C50 H50A 0.9500 . ?
C51 C52 1.381(8) . ?
C51 H51A 0.9500 . ?
C52 C53 1.393(8) . ?
C52 H52A 0.9500 . ?
C53 C54 1.383(7) . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9500 . ?
C55 C60 1.389(7) . ?
C55 C56 1.401(7) . ?
C56 C57 1.399(7) . ?
C56 H56A 0.9500 . ?
C57 C58 1.367(10) . ?
C57 H57A 0.9500 . ?
C58 C59 1.361(10) . ?
C58 H58A 0.9500 . ?
C59 C60 1.408(7) . ?
C59 H59A 0.9500 . ?
C60 H60A 0.9500 . ?
O1S C4S 1.423(7) . ?
O1S C1S 1.427(7) . ?
C1S C2S 1.486(8) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S C3S 1.506(8) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S C4S 1.478(9) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
O2S C8S 1.401(15) . ?
O2S C5S 1.417(19) . ?
C5S C6S 1.485(18) . ?
C5S H5SA 0.9900 . ?
C5S H5SB 0.9900 . ?
C6S C7S 1.531(18) . ?
C6S H6SA 0.9900 . ?
C6S H6SB 0.9900 . ?
C7S C8S 1.472(19) . ?
C7S H7SA 0.9900 . ?
C7S H7SB 0.9900 . ?
C8S H8SA 0.9900 . ?
C8S H8SB 0.9900 . ?
O2" C8" 1.413(18) . ?
O2" C5" 1.446(18) . ?
C5" C6" 1.492(19) . ?
C5" H5SC 0.9900 . ?
C5" H5SD 0.9900 . ?
C6" C7" 1.538(18) . ?
C6" H6SC 0.9900 . ?
C6" H6SD 0.9900 . ?
C7" C8" 1.470(18) . ?
C7" H7SC 0.9900 . ?
C7" H7SD 0.9900 . ?
C8" H8SC 0.9900 . ?
C8" H8SD 0.9900 . ?
O3S C12S 1.408(18) . ?
O3S C9S 1.419(19) . ?
C9S C10S 1.493(19) . ?
C9S H9SA 0.9900 . ?
C9S H9SB 0.9900 . ?
C10S C11S 1.520(19) . ?
C10S H10A 0.9900 . ?
C10S H10B 0.9900 . ?
C11S C12S 1.457(19) . ?
C11S H11A 0.9900 . ?
C11S H11B 0.9900 . ?
C12S H12A 0.9900 . ?
C12S H12B 0.9900 . ?
O3" C12" 1.398(18) . ?
O3" C9" 1.415(19) . ?
C9" C10" 1.498(19) . ?
C9" H9SC 0.9900 . ?
C9" H9SD 0.9900 . ?
C10" C11" 1.548(19) . ?
C10" H10C 0.9900 . ?
C10" H10D 0.9900 . ?
C11" C12" 1.487(19) . ?
C11" H11C 0.9900 . ?
C11" H11D 0.9900 . ?
C12" H12C 0.9900 . ?
C12" H12D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O1 177.54(12) . . ?
O2 Dy1 O4 90.12(11) . . ?
O1 Dy1 O4 87.97(11) . . ?
O2 Dy1 O6 90.37(10) . . ?
O1 Dy1 O6 92.09(11) . . ?
O4 Dy1 O6 142.17(11) . . ?
O2 Dy1 O3 86.98(11) . . ?
O1 Dy1 O3 91.00(10) . . ?
O4 Dy1 O3 73.54(10) . . ?
O6 Dy1 O3 144.24(10) . . ?
O2 Dy1 O7 91.74(11) . . ?
O1 Dy1 O7 88.98(11) . . ?
O4 Dy1 O7 145.99(11) . . ?
O6 Dy1 O7 71.79(11) . . ?
O3 Dy1 O7 72.65(10) . . ?
O2 Dy1 O5 90.14(12) . . ?
O1 Dy1 O5 90.72(11) . . ?
O4 Dy1 O5 71.43(11) . . ?
O6 Dy1 O5 70.74(11) . . ?
O3 Dy1 O5 144.84(10) . . ?
O7 Dy1 O5 142.50(11) . . ?
C1' O1 Dy1 154.3(4) . . ?
C1 O1 Dy1 157.9(5) . . ?
O1 C1 C8 109(2) . . ?
O1 C1 C2 111.4(5) . . ?
C8 C1 C2 108(2) . . ?
O1 C1 H1A 109.7 . . ?
C8 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
C3 C2 C7 120.0 . . ?
C3 C2 C1 121.4(5) . . ?
C7 C2 C1 118.5(4) . . ?
F1 C3 C4 120.9(6) . . ?
F1 C3 C2 119.1(6) . . ?
C4 C3 C2 120.0 . . ?
F2 C4 C3 123.8(8) . . ?
F2 C4 C5 116.2(8) . . ?
C3 C4 C5 120.0 . . ?
F3 C5 C4 120.1(7) . . ?
F3 C5 C6 119.9(7) . . ?
C4 C5 C6 120.0 . . ?
F4 C6 C5 115.8(7) . . ?
F4 C6 C7 124.2(7) . . ?
C5 C6 C7 120.0 . . ?
F5 C7 C6 115.4(6) . . ?
F5 C7 C2 124.6(6) . . ?
C6 C7 C2 120.0 . . ?
C1 C8 H8A 109.5 . . ?
C1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O1 C1' C8' 110.8(15) . . ?
O1 C1' C2' 108.8(4) . . ?
C8' C1' C2' 112.7(17) . . ?
O1 C1' H1B 108.2 . . ?
C8' C1' H1B 108.2 . . ?
C2' C1' H1B 108.2 . . ?
C3' C2' C7' 120.0 . . ?
C3' C2' C1' 121.1(4) . . ?
C7' C2' C1' 118.9(4) . . ?
F1' C3' C2' 120.2(5) . . ?
F1' C3' C4' 119.8(5) . . ?
C2' C3' C4' 120.0 . . ?
F2' C4' C5' 118.8(5) . . ?
F2' C4' C3' 121.2(5) . . ?
C5' C4' C3' 120.0 . . ?
F3' C5' C4' 121.1(5) . . ?
F3' C5' C6' 118.9(5) . . ?
C4' C5' C6' 120.0 . . ?
F4' C6' C5' 120.6(5) . . ?
F4' C6' C7' 119.4(5) . . ?
C5' C6' C7' 120.0 . . ?
F5' C7' C6' 116.8(4) . . ?
F5' C7' C2' 123.2(4) . . ?
C6' C7' C2' 120.0 . . ?
C1' C8' H8D 109.5 . . ?
C1' C8' H8E 109.5 . . ?
H8D C8' H8E 109.5 . . ?
C1' C8' H8F 109.5 . . ?
H8D C8' H8F 109.5 . . ?
H8E C8' H8F 109.5 . . ?
C9' O2 Dy1 151.8(6) . . ?
C9 O2 Dy1 168.9(4) . . ?
O2 C9 C16 107.5(7) . . ?
O2 C9 C10 112.2(4) . . ?
C16 C9 C10 115.0(7) . . ?
O2 C9 H9A 107.2 . . ?
C16 C9 H9A 107.2 . . ?
C10 C9 H9A 107.2 . . ?
C11 C10 C15 120.0 . . ?
C11 C10 C9 117.9(4) . . ?
C15 C10 C9 122.1(4) . . ?
F6 C11 C12 116.4(4) . . ?
F6 C11 C10 123.6(4) . . ?
C12 C11 C10 120.0 . . ?
F7 C12 C11 121.2(6) . . ?
F7 C12 C13 118.8(6) . . ?
C11 C12 C13 120.0 . . ?
F8 C13 C12 117.7(6) . . ?
F8 C13 C14 122.3(6) . . ?
C12 C13 C14 120.0 . . ?
F9 C14 C13 113.1(5) . . ?
F9 C14 C15 126.9(5) . . ?
C13 C14 C15 120.0 . . ?
F10 C15 C14 117.1(5) . . ?
F10 C15 C10 122.9(5) . . ?
C14 C15 C10 120.0 . . ?
C9 C16 H16A 109.5 . . ?
C9 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C9 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C9' C16' 115.0(15) . . ?
O2 C9' C10' 106.6(6) . . ?
C16' C9' C10' 111.7(17) . . ?
O2 C9' H9'A 107.7 . . ?
C16' C9' H9'A 107.7 . . ?
C10' C9' H9'A 107.7 . . ?
C11' C10' C15' 120.0 . . ?
C11' C10' C9' 124.6(5) . . ?
C15' C10' C9' 115.3(5) . . ?
F6' C11' C12' 119.6(7) . . ?
F6' C11' C10' 120.4(7) . . ?
C12' C11' C10' 120.0 . . ?
F7' C12' C11' 124.4(11) . . ?
F7' C12' C13' 115.6(11) . . ?
C11' C12' C13' 120.0 . . ?
F8' C13' C14' 109.6(11) . . ?
F8' C13' C12' 130.4(11) . . ?
C14' C13' C12' 120.0 . . ?
F9' C14' C15' 107.7(9) . . ?
F9' C14' C13' 132.3(9) . . ?
C15' C14' C13' 120.0 . . ?
F10' C15' C14' 113.9(9) . . ?
F10' C15' C10' 126.1(9) . . ?
C14' C15' C10' 120.0 . . ?
C9' C16' H16D 109.5 . . ?
C9' C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
C9' C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C17 O3 C20 107.1(3) . . ?
C17 O3 Dy1 125.0(2) . . ?
C20 O3 Dy1 127.7(2) . . ?
O3 C17 C18 106.3(3) . . ?
O3 C17 H17A 110.5 . . ?
C18 C17 H17A 110.5 . . ?
O3 C17 H17B 110.5 . . ?
C18 C17 H17B 110.5 . . ?
H17A C17 H17B 108.7 . . ?
C17 C18 C19 107.3(4) . . ?
C17 C18 H18A 110.3 . . ?
C19 C18 H18A 110.3 . . ?
C17 C18 H18B 110.3 . . ?
C19 C18 H18B 110.3 . . ?
H18A C18 H18B 108.5 . . ?
C18 C19 C20 104.8(4) . . ?
C18 C19 H19A 110.8 . . ?
C20 C19 H19A 110.8 . . ?
C18 C19 H19B 110.8 . . ?
C20 C19 H19B 110.8 . . ?
H19A C19 H19B 108.9 . . ?
O3 C20 C19 105.2(3) . . ?
O3 C20 H20A 110.7 . . ?
C19 C20 H20A 110.7 . . ?
O3 C20 H20B 110.7 . . ?
C19 C20 H20B 110.7 . . ?
H20A C20 H20B 108.8 . . ?
C24' O4 C21 109.7(5) . . ?
C21 O4 C24 106.6(3) . . ?
C24' O4 Dy1 115.8(3) . . ?
C21 O4 Dy1 129.0(2) . . ?
C24 O4 Dy1 123.6(3) . . ?
O4 C21 C22 105.9(3) . . ?
O4 C21 H21A 110.6 . . ?
C22 C21 H21A 110.6 . . ?
O4 C21 H21B 110.6 . . ?
C22 C21 H21B 110.6 . . ?
H21A C21 H21B 108.7 . . ?
C23 C22 C21 105.2(4) . . ?
C23 C22 H22A 110.7 . . ?
C21 C22 H22A 110.7 . . ?
C23 C22 H22B 110.7 . . ?
C21 C22 H22B 110.7 . . ?
H22A C22 H22B 108.8 . . ?
C24' C23 C22 104.9(6) . . ?
C22 C23 C24 106.6(4) . . ?
C22 C23 H23A 110.4 . . ?
C24 C23 H23A 110.4 . . ?
C22 C23 H23B 110.4 . . ?
C24 C23 H23B 110.4 . . ?
H23A C23 H23B 108.6 . . ?
C24' C23 H23C 110.8 . . ?
C22 C23 H23C 110.8 . . ?
C24' C23 H23D 110.8 . . ?
C22 C23 H23D 110.8 . . ?
H23C C23 H23D 108.8 . . ?
O4 C24 C23 103.0(4) . . ?
O4 C24 H24A 111.2 . . ?
C23 C24 H24A 111.2 . . ?
O4 C24 H24B 111.2 . . ?
C23 C24 H24B 111.2 . . ?
H24A C24 H24B 109.1 . . ?
O4 C24' C23 104.6(5) . . ?
O4 C24' H24C 110.8 . . ?
C23 C24' H24C 110.8 . . ?
O4 C24' H24D 110.8 . . ?
C23 C24' H24D 110.8 . . ?
H24C C24' H24D 108.9 . . ?
C28 O5 C25 109.9(3) . . ?
C28 O5 Dy1 125.7(2) . . ?
C25 O5 Dy1 124.1(3) . . ?
O5 C25 C26 107.0(4) . . ?
O5 C25 H25A 110.3 . . ?
C26 C25 H25A 110.3 . . ?
O5 C25 H25B 110.3 . . ?
C26 C25 H25B 110.3 . . ?
H25A C25 H25B 108.6 . . ?
C25 C26 C27 108.0(4) . . ?
C25 C26 H26A 110.1 . . ?
C27 C26 H26A 110.1 . . ?
C25 C26 H26B 110.1 . . ?
C27 C26 H26B 110.1 . . ?
H26A C26 H26B 108.4 . . ?
C26 C27 C28 106.9(4) . . ?
C26 C27 H27A 110.3 . . ?
C28 C27 H27A 110.3 . . ?
C26 C27 H27B 110.3 . . ?
C28 C27 H27B 110.3 . . ?
H27A C27 H27B 108.6 . . ?
O5 C28 C27 107.4(4) . . ?
O5 C28 H28A 110.2 . . ?
C27 C28 H28A 110.2 . . ?
O5 C28 H28B 110.2 . . ?
C27 C28 H28B 110.2 . . ?
H28A C28 H28B 108.5 . . ?
C29 O6 C32 108.9(3) . . ?
C29 O6 Dy1 125.5(2) . . ?
C32 O6 Dy1 125.4(2) . . ?
O6 C29 C30 104.8(3) . . ?
O6 C29 H29A 110.8 . . ?
C30 C29 H29A 110.8 . . ?
O6 C29 H29B 110.8 . . ?
C30 C29 H29B 110.8 . . ?
H29A C29 H29B 108.9 . . ?
C29 C30 C31 101.9(4) . . ?
C29 C30 H30A 111.4 . . ?
C31 C30 H30A 111.4 . . ?
C29 C30 H30B 111.4 . . ?
C31 C30 H30B 111.4 . . ?
H30A C30 H30B 109.3 . . ?
C32 C31 C30 103.6(4) . . ?
C32 C31 H31A 111.0 . . ?
C30 C31 H31A 111.0 . . ?
C32 C31 H31B 111.0 . . ?
C30 C31 H31B 111.0 . . ?
H31A C31 H31B 109.0 . . ?
O6 C32 C31 105.4(3) . . ?
O6 C32 H32A 110.7 . . ?
C31 C32 H32A 110.7 . . ?
O6 C32 H32B 110.7 . . ?
C31 C32 H32B 110.7 . . ?
H32A C32 H32B 108.8 . . ?
C33 O7 C36 109.4(3) . . ?
C33 O7 Dy1 124.5(3) . . ?
C36 O7 Dy1 125.7(2) . . ?
O7 C33 C34 110.9(6) . . ?
O7 C33 C34' 102.0(5) . . ?
O7 C33 H33A 109.5 . . ?
C34 C33 H33A 109.5 . . ?
O7 C33 H33B 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
O7 C33 H33C 111.4 . . ?
C34' C33 H33C 111.4 . . ?
O7 C33 H33D 111.4 . . ?
C34' C33 H33D 111.4 . . ?
H33C C33 H33D 109.2 . . ?
C33 C34 C35 92.1(12) . . ?
C33 C34 H34A 113.3 . . ?
C35 C34 H34A 113.3 . . ?
C33 C34 H34B 113.3 . . ?
C35 C34 H34B 113.3 . . ?
H34A C34 H34B 110.6 . . ?
C34 C35 C36 115.1(10) . . ?
C34 C35 H35A 108.5 . . ?
C36 C35 H35A 108.5 . . ?
C34 C35 H35B 108.5 . . ?
C36 C35 H35B 108.5 . . ?
H35A C35 H35B 107.5 . . ?
C35' C34' C33 109.3(7) . . ?
C35' C34' H34C 109.8 . . ?
C33 C34' H34C 109.8 . . ?
C35' C34' H34D 109.8 . . ?
C33 C34' H34D 109.8 . . ?
H34C C34' H34D 108.3 . . ?
C34' C35' C36 101.0(7) . . ?
C34' C35' H35C 111.6 . . ?
C36 C35' H35C 111.6 . . ?
C34' C35' H35D 111.6 . . ?
C36 C35' H35D 111.6 . . ?
H35C C35' H35D 109.4 . . ?
O7 C36 C35' 109.8(5) . . ?
O7 C36 C35 97.6(8) . . ?
O7 C36 H36A 112.2 . . ?
C35 C36 H36A 112.2 . . ?
O7 C36 H36B 112.2 . . ?
C35 C36 H36B 112.2 . . ?
H36A C36 H36B 109.8 . . ?
O7 C36 H36C 109.7 . . ?
C35' C36 H36C 109.7 . . ?
O7 C36 H36D 109.7 . . ?
C35' C36 H36D 109.7 . . ?
H36C C36 H36D 108.2 . . ?
C49 B1 C43 106.0(4) . . ?
C49 B1 C55 109.9(4) . . ?
C43 B1 C55 113.3(4) . . ?
C49 B1 C37 112.7(4) . . ?
C43 B1 C37 110.0(3) . . ?
C55 B1 C37 105.1(4) . . ?
C42 C37 C38 114.9(4) . . ?
C42 C37 B1 125.3(4) . . ?
C38 C37 B1 119.7(4) . . ?
C39 C38 C37 122.9(4) . . ?
C39 C38 H38A 118.5 . . ?
C37 C38 H38A 118.5 . . ?
C40 C39 C38 120.2(4) . . ?
C40 C39 H39A 119.9 . . ?
C38 C39 H39A 119.9 . . ?
C39 C40 C41 118.8(4) . . ?
C39 C40 H40A 120.6 . . ?
C41 C40 H40A 120.6 . . ?
C40 C41 C42 120.1(4) . . ?
C40 C41 H41A 120.0 . . ?
C42 C41 H41A 120.0 . . ?
C37 C42 C41 123.0(4) . . ?
C37 C42 H42A 118.5 . . ?
C41 C42 H42A 118.5 . . ?
C44 C43 C48 114.2(4) . . ?
C44 C43 B1 124.4(4) . . ?
C48 C43 B1 121.2(4) . . ?
C45 C44 C43 123.7(5) . . ?
C45 C44 H44A 118.1 . . ?
C43 C44 H44A 118.1 . . ?
C46 C45 C44 120.0(5) . . ?
C46 C45 H45A 120.0 . . ?
C44 C45 H45A 120.0 . . ?
C45 C46 C47 119.0(5) . . ?
C45 C46 H46A 120.5 . . ?
C47 C46 H46A 120.5 . . ?
C46 C47 C48 120.1(5) . . ?
C46 C47 H47A 120.0 . . ?
C48 C47 H47A 120.0 . . ?
C47 C48 C43 123.0(5) . . ?
C47 C48 H48A 118.5 . . ?
C43 C48 H48A 118.5 . . ?
C50 C49 C54 115.6(4) . . ?
C50 C49 B1 120.4(4) . . ?
C54 C49 B1 123.9(4) . . ?
C51 C50 C49 122.1(5) . . ?
C51 C50 H50A 119.0 . . ?
C49 C50 H50A 119.0 . . ?
C52 C51 C50 120.9(5) . . ?
C52 C51 H51A 119.6 . . ?
C50 C51 H51A 119.6 . . ?
C51 C52 C53 118.6(5) . . ?
C51 C52 H52A 120.7 . . ?
C53 C52 H52A 120.7 . . ?
C54 C53 C52 119.7(5) . . ?
C54 C53 H53A 120.2 . . ?
C52 C53 H53A 120.2 . . ?
C53 C54 C49 123.0(5) . . ?
C53 C54 H54A 118.5 . . ?
C49 C54 H54A 118.5 . . ?
C60 C55 C56 114.9(5) . . ?
C60 C55 B1 119.4(4) . . ?
C56 C55 B1 125.7(5) . . ?
C57 C56 C55 122.7(6) . . ?
C57 C56 H56A 118.6 . . ?
C55 C56 H56A 118.6 . . ?
C58 C57 C56 119.2(6) . . ?
C58 C57 H57A 120.4 . . ?
C56 C57 H57A 120.4 . . ?
C59 C58 C57 121.1(6) . . ?
C59 C58 H58A 119.4 . . ?
C57 C58 H58A 119.4 . . ?
C58 C59 C60 118.6(6) . . ?
C58 C59 H59A 120.7 . . ?
C60 C59 H59A 120.7 . . ?
C55 C60 C59 123.3(6) . . ?
C55 C60 H60A 118.4 . . ?
C59 C60 H60A 118.4 . . ?
C4S O1S C1S 106.0(5) . . ?
O1S C1S C2S 107.0(5) . . ?
O1S C1S H1SA 110.3 . . ?
C2S C1S H1SA 110.3 . . ?
O1S C1S H1SB 110.3 . . ?
C2S C1S H1SB 110.3 . . ?
H1SA C1S H1SB 108.6 . . ?
C1S C2S C3S 104.7(5) . . ?
C1S C2S H2SA 110.8 . . ?
C3S C2S H2SA 110.8 . . ?
C1S C2S H2SB 110.8 . . ?
C3S C2S H2SB 110.8 . . ?
H2SA C2S H2SB 108.9 . . ?
C4S C3S C2S 105.4(5) . . ?
C4S C3S H3SA 110.7 . . ?
C2S C3S H3SA 110.7 . . ?
C4S C3S H3SB 110.7 . . ?
C2S C3S H3SB 110.7 . . ?
H3SA C3S H3SB 108.8 . . ?
O1S C4S C3S 106.4(5) . . ?
O1S C4S H4SA 110.5 . . ?
C3S C4S H4SA 110.5 . . ?
O1S C4S H4SB 110.5 . . ?
C3S C4S H4SB 110.5 . . ?
H4SA C4S H4SB 108.6 . . ?
C8S O2S C5S 108.0(17) . . ?
O2S C5S C6S 107.1(15) . . ?
O2S C5S H5SA 110.3 . . ?
C6S C5S H5SA 110.3 . . ?
O2S C5S H5SB 110.3 . . ?
C6S C5S H5SB 110.3 . . ?
H5SA C5S H5SB 108.5 . . ?
C5S C6S C7S 105.5(14) . . ?
C5S C6S H6SA 110.6 . . ?
C7S C6S H6SA 110.6 . . ?
C5S C6S H6SB 110.6 . . ?
C7S C6S H6SB 110.6 . . ?
H6SA C6S H6SB 108.8 . . ?
C8S C7S C6S 103.6(14) . . ?
C8S C7S H7SA 111.0 . . ?
C6S C7S H7SA 111.0 . . ?
C8S C7S H7SB 111.0 . . ?
C6S C7S H7SB 111.0 . . ?
H7SA C7S H7SB 109.0 . . ?
O2S C8S C7S 108.0(17) . . ?
O2S C8S H8SA 110.1 . . ?
C7S C8S H8SA 110.1 . . ?
O2S C8S H8SB 110.1 . . ?
C7S C8S H8SB 110.1 . . ?
H8SA C8S H8SB 108.4 . . ?
C8" O2" C5" 104.4(14) . . ?
O2" C5" C6" 105.2(16) . . ?
O2" C5" H5SC 110.7 . . ?
C6" C5" H5SC 110.7 . . ?
O2" C5" H5SD 110.7 . . ?
C6" C5" H5SD 110.7 . . ?
H5SC C5" H5SD 108.8 . . ?
C5" C6" C7" 104.0(14) . . ?
C5" C6" H6SC 110.9 . . ?
C7" C6" H6SC 110.9 . . ?
C5" C6" H6SD 110.9 . . ?
C7" C6" H6SD 110.9 . . ?
H6SC C6" H6SD 109.0 . . ?
C8" C7" C6" 103.6(17) . . ?
C8" C7" H7SC 111.0 . . ?
C6" C7" H7SC 111.0 . . ?
C8" C7" H7SD 111.0 . . ?
C6" C7" H7SD 111.0 . . ?
H7SC C7" H7SD 109.0 . . ?
O2" C8" C7" 104.7(18) . . ?
O2" C8" H8SC 110.8 . . ?
C7" C8" H8SC 110.8 . . ?
O2" C8" H8SD 110.8 . . ?
C7" C8" H8SD 110.8 . . ?
H8SC C8" H8SD 108.9 . . ?
C12S O3S C9S 109.8(17) . . ?
O3S C9S C10S 108.0(17) . . ?
O3S C9S H9SA 110.1 . . ?
C10S C9S H9SA 110.1 . . ?
O3S C9S H9SB 110.1 . . ?
C10S C9S H9SB 110.1 . . ?
H9SA C9S H9SB 108.4 . . ?
C9S C10S C11S 106.0(16) . . ?
C9S C10S H10A 110.5 . . ?
C11S C10S H10A 110.5 . . ?
C9S C10S H10B 110.5 . . ?
C11S C10S H10B 110.5 . . ?
H10A C10S H10B 108.7 . . ?
C12S C11S C10S 104.9(16) . . ?
C12S C11S H11A 110.8 . . ?
C10S C11S H11A 110.8 . . ?
C12S C11S H11B 110.8 . . ?
C10S C11S H11B 110.8 . . ?
H11A C11S H11B 108.8 . . ?
O3S C12S C11S 110.8(17) . . ?
O3S C12S H12A 109.5 . . ?
C11S C12S H12A 109.5 . . ?
O3S C12S H12B 109.5 . . ?
C11S C12S H12B 109.5 . . ?
H12A C12S H12B 108.1 . . ?
C12" O3" C9" 109.4(16) . . ?
O3" C9" C10" 105.8(16) . . ?
O3" C9" H9SC 110.6 . . ?
C10" C9" H9SC 110.6 . . ?
O3" C9" H9SD 110.6 . . ?
C10" C9" H9SD 110.6 . . ?
H9SC C9" H9SD 108.7 . . ?
C9" C10" C11" 101.7(19) . . ?
C9" C10" H10C 111.4 . . ?
C11" C10" H10C 111.4 . . ?
C9" C10" H10D 111.4 . . ?
C11" C10" H10D 111.4 . . ?
H10C C10" H10D 109.3 . . ?
C12" C11" C10" 100.1(14) . . ?
C12" C11" H11C 111.7 . . ?
C10" C11" H11C 111.7 . . ?
C12" C11" H11D 111.7 . . ?
C10" C11" H11D 111.7 . . ?
H11C C11" H11D 109.5 . . ?
O3" C12" C11" 109.0(18) . . ?
O3" C12" H12C 109.9 . . ?
C11" C12" H12C 109.9 . . ?
O3" C12" H12D 109.9 . . ?
C11" C12" H12D 109.9 . . ?
H12C C12" H12D 108.3 . . ?

_refine_diff_density_max         1.207
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.093



####################################################################### 
# 
# 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 2071553'
loop_
_audit_author_name
_audit_author_address
'Anton Cherkasov'
;IOMC RAS
Russia
;
_audit_update_record             
;
2021-03-19 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
_audit_creation_date             2021-03-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H40 Dy F18 O7, 2.5(C4 H8 O), C24 H19 B'
_chemical_formula_sum            'C78 H79 B Dy F18 O9.50'
_chemical_formula_weight         1683.72
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.9539(13)
_cell_length_b                   24.207(2)
_cell_length_c                   23.410(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.820(2)
_cell_angle_gamma                90
_cell_volume                     7331.8(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2717
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.29
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.946
_shelx_estimated_absorpt_T_min   0.729
_exptl_absorpt_coefficient_mu    1.123
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.3595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0837 before and 0.0666 after correction.
The Ratio of minimum to maximum transmission is 0.8303.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1365
_diffrn_reflns_av_unetI/netI     0.1377
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            47737
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.574
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7855
_reflns_number_total             14392
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.419
_refine_diff_density_min         -1.383
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       0.00048(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1049
_refine_ls_number_reflns         14392
_refine_ls_number_restraints     257
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0611
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0573P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1574
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 C53-C54_$1
 2.4 with sigma of 0.02
 C11S-C9S
 2.2 with sigma of 0.02
 C27S-C25S
 2.2 with sigma of 0.02
 C26S-C25S
 1.4 with sigma of 0.02
 C25S-C28S
 2.2 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C5S) \\sim Ueq, Uanis(C5S') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C4S) \\sim Ueq, Uanis(C4S') \\sim Ueq, Uanis(C2S) \\sim Ueq, Uanis(C2S')
\\sim Ueq, Uanis(C1S') \\sim Ueq, Uanis(C1S) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C3S') \\sim Ueq, Uanis(C3S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C26X) \\sim Ueq, Uanis(C28X) \\sim Ueq, Uanis(C25X) \\sim Ueq,
Uanis(C27X) \\sim Ueq, Uanis(O6X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C15S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C14S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C6S) \\sim Ueq, Uanis(C6S') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C12S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C16S) \\sim Ueq, Uanis(C16X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C18X) \\sim Ueq, Uanis(C18S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C20X) \\sim Ueq, Uanis(C20S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C19S) \\sim Ueq, Uanis(C19X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C9S') \\sim Ueq, Uanis(C9S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C11S) \\sim Ueq, Uanis(C11X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C10X) \\sim Ueq, Uanis(C10S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C17X) \\sim Ueq, Uanis(C17S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C22) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13S) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C40) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C14X) \\sim Ueq, Uanis(C15X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C6S) = Uanis(C6S')
Uanis(C5S) = Uanis(C5S')
Uanis(C1S') = Uanis(C1S)
Uanis(C2S) = Uanis(C2S')
Uanis(C4S) = Uanis(C4S')
Uanis(C3S) = Uanis(C3S')
Uanis(C15X) = Uanis(C15S)
Uanis(C14X) = Uanis(C14S)
Uanis(C13S) = Uanis(C13X)
Uanis(C16S) = Uanis(C16X)
Uanis(C18S) = Uanis(C18X)
Uanis(C17S) = Uanis(C17X)
Uanis(C19S) = Uanis(C19X)
Uanis(C20S) = Uanis(C20X)
Uanis(C11X) = Uanis(C11S)
Uanis(C12X) = Uanis(C12S)
Uanis(C10X) = Uanis(C10S)
Uanis(C9S') = Uanis(C9S)
Uanis(O6X) = Uanis(O6S')
Uanis(C25X) = Uanis(C25S)
Uanis(C26S) = Uanis(C26X)
Uanis(C27X) = Uanis(C27S)
Uanis(C28S) = Uanis(C28X)
4. Others
 Sof(H7SC)=Sof(H7SD)=Sof(C5S')=Sof(H5SC)=Sof(H5SD)=Sof(C6S')=Sof(H6SC)=
 Sof(H6SD)=1-FVAR(1)
 Sof(H7SA)=Sof(H7SB)=Sof(C5S)=Sof(H5SA)=Sof(H5SB)=Sof(C6S)=Sof(H6SA)=Sof(H6SB)=
 FVAR(1)
 Sof(C1S')=Sof(H1SA)=Sof(H1SB)=Sof(C2S')=Sof(H2SA)=Sof(H2SB)=Sof(C3S')=
 Sof(H3SA)=Sof(H3SB)=Sof(C4S')=Sof(H4SA)=Sof(H4SB)=1-FVAR(2)
 Sof(C1S)=Sof(H1SC)=Sof(H1SD)=Sof(C2S)=Sof(H2SC)=Sof(H2SD)=Sof(C3S)=Sof(H3SC)=
 Sof(H3SD)=Sof(C4S)=Sof(H4SC)=Sof(H4SD)=FVAR(2)
 Sof(C13X)=Sof(H13C)=Sof(H13D)=Sof(C14X)=Sof(H14C)=Sof(H14D)=Sof(C15X)=
 Sof(H15C)=Sof(H15D)=Sof(C16X)=Sof(H16C)=Sof(H16D)=1-FVAR(3)
 Sof(C13S)=Sof(H13A)=Sof(H13B)=Sof(C14S)=Sof(H14A)=Sof(H14B)=Sof(C15S)=
 Sof(H15A)=Sof(H15B)=Sof(C16S)=Sof(H16A)=Sof(H16B)=FVAR(3)
 Sof(C17X)=Sof(H17C)=Sof(H17D)=Sof(C18X)=Sof(H18C)=Sof(H18D)=Sof(C19X)=
 Sof(H19C)=Sof(H19D)=Sof(C20X)=Sof(H20C)=Sof(H20D)=1-FVAR(4)
 Sof(C17S)=Sof(H17A)=Sof(H17B)=Sof(C18S)=Sof(H18A)=Sof(H18B)=Sof(C19S)=
 Sof(H19A)=Sof(H19B)=Sof(C20S)=Sof(H20A)=Sof(H20B)=FVAR(4)
 Sof(C9S')=Sof(H9SC)=Sof(H9SD)=Sof(C10X)=Sof(H10C)=Sof(H10D)=Sof(C11X)=
 Sof(H11C)=Sof(H11D)=Sof(C12X)=Sof(H12C)=Sof(H12D)=1-FVAR(5)
 Sof(C9S)=Sof(H9SA)=Sof(H9SB)=Sof(C10S)=Sof(H10A)=Sof(H10B)=Sof(C11S)=
 Sof(H11A)=Sof(H11B)=Sof(C12S)=Sof(H12A)=Sof(H12B)=FVAR(5)
 Sof(O6S')=Sof(C25S)=Sof(H25C)=Sof(H25D)=Sof(C26S)=Sof(H26C)=Sof(H26D)=
 Sof(C27S)=Sof(H27C)=Sof(H27D)=Sof(C28S)=Sof(H28C)=Sof(H28D)=1-FVAR(6)
 Sof(O6X)=Sof(C25X)=Sof(H25A)=Sof(H25B)=Sof(C26X)=Sof(H26A)=Sof(H26B)=
 Sof(C27X)=Sof(H27A)=Sof(H27B)=Sof(C28X)=Sof(H28A)=Sof(H28B)=FVAR(6)
 Fixed Sof: O7S(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C7S(H7SA,H7SB), C7S(H7SC,H7SD), C8S(H8SA,H8SB), C1S'(H1SA,H1SB), C2S'(H2SA,
 H2SB), C3S'(H3SA,H3SB), C4S'(H4SA,H4SB), C5S(H5SA,H5SB), C6S(H6SA,H6SB),
 C9S(H9SA,H9SB), C10S(H10A,H10B), C11S(H11A,H11B), C12S(H12A,H12B), C13S(H13A,
 H13B), C14S(H14A,H14B), C15S(H15A,H15B), C16S(H16A,H16B), C17S(H17A,H17B),
 C18S(H18A,H18B), C19S(H19A,H19B), C20S(H20A,H20B), C1S(H1SC,H1SD), C2S(H2SC,
 H2SD), C3S(H3SC,H3SD), C4S(H4SC,H4SD), C5S'(H5SC,H5SD), C6S'(H6SC,H6SD),
 C9S'(H9SC,H9SD), C10X(H10C,H10D), C11X(H11C,H11D), C12X(H12C,H12D), C13X(H13C,
 H13D), C14X(H14C,H14D), C15X(H15C,H15D), C16X(H16C,H16D), C17X(H17C,H17D),
 C18X(H18C,H18D), C19X(H19C,H19D), C20X(H20C,H20D), C21S(H21A,H21B), C22S(H22A,
 H22B), C23S(H23A,H23B), C24S(H24A,H24B), C25X(H25A,H25B), C26X(H26A,H26B),
 C27X(H27A,H27B), C28X(H28A,H28B), C53(H53A,H53B), C54(H54A,H54B), C25S(H25C,
 H25D), C26S(H26C,H26D), C27S(H27C,H27D), C28S(H28C,H28D)
5.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.77008(3) 0.36862(2) 0.27544(2) 0.03035(12) Uani 1 1 d . . . . .
F1 F 0.6160(3) 0.40694(16) 0.11343(16) 0.0413(11) Uani 1 1 d . . . . .
F2 F 0.5380(3) 0.48959(16) 0.05065(15) 0.0383(10) Uani 1 1 d . . . . .
F3 F 0.5285(3) 0.60117(16) 0.21562(17) 0.0417(11) Uani 1 1 d . . . . .
F4 F 0.6070(4) 0.51820(16) 0.27878(16) 0.0421(11) Uani 1 1 d . . . . .
F5 F 0.3445(3) 0.53842(18) 0.06072(18) 0.0471(11) Uani 1 1 d . . . . .
F6 F 0.2627(4) 0.6207(2) -0.00360(19) 0.0631(15) Uani 1 1 d . . . . .
F7 F 0.3534(4) 0.7214(2) -0.0015(2) 0.0749(17) Uani 1 1 d . . . . .
F8 F 0.5285(4) 0.73947(19) 0.0653(2) 0.0699(16) Uani 1 1 d . . . . .
F9 F 0.6142(4) 0.65651(17) 0.12708(18) 0.0467(11) Uani 1 1 d . . . . .
F10 F 1.0612(4) 0.31907(18) 0.3027(2) 0.0569(13) Uani 1 1 d . . . . .
F11 F 1.2060(4) 0.26174(17) 0.3630(2) 0.0515(12) Uani 1 1 d . . . . .
F12 F 0.9460(4) 0.16668(18) 0.45658(18) 0.0493(12) Uani 1 1 d . . . . .
F13 F 0.8015(3) 0.22491(17) 0.39803(17) 0.0434(11) Uani 1 1 d . . . . .
F14 F 1.2226(4) 0.2647(2) 0.4918(2) 0.0685(15) Uani 1 1 d . . . . .
F15 F 1.3746(5) 0.2099(3) 0.5504(2) 0.092(2) Uani 1 1 d . . . . .
F16 F 1.3976(4) 0.0998(3) 0.5360(3) 0.093(2) Uani 1 1 d . . . . .
F17 F 1.2646(4) 0.0436(2) 0.4641(3) 0.0829(19) Uani 1 1 d . . . . .
F18 F 1.1126(4) 0.09812(18) 0.4051(2) 0.0582(14) Uani 1 1 d . . . . .
O1 O 0.6590(4) 0.42021(18) 0.22893(19) 0.0319(12) Uani 1 1 d . . . . .
O1S O 0.8842(4) 0.43633(19) 0.2356(2) 0.0377(13) Uani 1 1 d . . . . .
O2 O 0.8572(4) 0.30494(18) 0.32168(19) 0.0366(13) Uani 1 1 d . . . . .
O2S O 0.8392(5) 0.4225(2) 0.3534(2) 0.0534(16) Uani 1 1 d . . . . .
O3S O 0.6407(4) 0.3706(2) 0.3453(2) 0.0468(14) Uani 1 1 d . . . . .
O4S O 0.6577(4) 0.29430(19) 0.2482(2) 0.0409(13) Uani 1 1 d . . . . .
O5S O 0.8457(4) 0.32673(19) 0.1944(2) 0.0430(14) Uani 1 1 d . . . . .
C1 C 0.6162(6) 0.4591(3) 0.1985(3) 0.0286(16) Uani 1 1 d . . . . .
C2 C 0.5943(5) 0.4551(3) 0.1398(3) 0.0291(16) Uani 1 1 d . . . . .
C3 C 0.5524(5) 0.4974(3) 0.1070(3) 0.0265(16) Uani 1 1 d . . . . .
C4 C 0.5283(5) 0.5485(3) 0.1304(3) 0.0280(16) Uani 1 1 d . . . . .
C5 C 0.5508(6) 0.5532(3) 0.1894(3) 0.0301(17) Uani 1 1 d . . . . .
C6 C 0.5900(6) 0.5108(3) 0.2218(3) 0.0355(18) Uani 1 1 d . . . . .
C7 C 0.4827(6) 0.5942(3) 0.0957(3) 0.0297(17) Uani 1 1 d . . . . .
C7S C 0.9363(7) 0.4635(4) 0.4290(4) 0.062(3) Uani 1 1 d . . . . .
H7SA H 0.9962 0.4857 0.4178 0.074 Uiso 0.510(13) 1 calc R U P A 1
H7SB H 0.9448 0.4544 0.4702 0.074 Uiso 0.510(13) 1 calc R U P A 1
H7SC H 1.0098 0.4745 0.4344 0.074 Uiso 0.490(13) 1 calc R U P A 2
H7SD H 0.9069 0.4585 0.4669 0.074 Uiso 0.490(13) 1 calc R U P A 2
C8 C 0.3931(6) 0.5876(3) 0.0614(3) 0.0371(19) Uani 1 1 d . . . . .
C8S C 0.9246(8) 0.4137(4) 0.3943(4) 0.068(3) Uani 1 1 d . . . . .
H8SA H 0.9887 0.4064 0.3742 0.081 Uiso 1 1 calc R U . B 2
H8SB H 0.9106 0.3815 0.4188 0.081 Uiso 1 1 calc R U . B 2
C9 C 0.3496(6) 0.6287(4) 0.0285(3) 0.046(2) Uani 1 1 d . . . . .
C10 C 0.3945(7) 0.6803(4) 0.0303(4) 0.052(2) Uani 1 1 d . . . . .
C11 C 0.4820(7) 0.6895(3) 0.0641(4) 0.047(2) Uani 1 1 d . . . . .
C12 C 0.5260(6) 0.6464(3) 0.0959(3) 0.0346(18) Uani 1 1 d . . . . .
C13 C 0.9258(6) 0.2754(3) 0.3499(3) 0.0321(17) Uani 1 1 d . . . . .
C14 C 1.0307(6) 0.2818(3) 0.3419(3) 0.0374(19) Uani 1 1 d . . . . .
C15 C 1.1058(6) 0.2518(3) 0.3728(3) 0.0368(18) Uani 1 1 d . . . . .
C16 C 1.0809(6) 0.2130(3) 0.4125(3) 0.0333(18) Uani 1 1 d . . . . .
C17 C 0.9773(6) 0.2048(3) 0.4188(3) 0.0341(18) Uani 1 1 d . . . . .
C18 C 0.9018(6) 0.2346(3) 0.3886(3) 0.0317(17) Uani 1 1 d . . . . .
C19 C 1.1612(6) 0.1827(3) 0.4470(3) 0.0388(19) Uani 1 1 d . . . . .
C20 C 1.2297(7) 0.2099(4) 0.4846(3) 0.049(2) Uani 1 1 d . . . . .
C21 C 1.3086(7) 0.1820(4) 0.5150(4) 0.062(3) Uani 1 1 d . . . . .
C22 C 1.3195(7) 0.1263(4) 0.5076(4) 0.063(3) Uani 1 1 d . U . . .
C23 C 1.2530(7) 0.0979(3) 0.4715(4) 0.052(2) Uani 1 1 d . . . . .
C24 C 1.1751(6) 0.1266(3) 0.4423(3) 0.0420(19) Uani 1 1 d . . . . .
C1S' C 0.8558(19) 0.4928(9) 0.2309(11) 0.035(3) Uani 0.361(10) 1 d . U P C 1
H1SA H 0.8136 0.5039 0.2631 0.042 Uiso 0.361(10) 1 calc R U P C 1
H1SB H 0.8158 0.4998 0.1945 0.042 Uiso 0.361(10) 1 calc R U P C 1
C2S' C 0.956(2) 0.5236(10) 0.2327(13) 0.056(4) Uani 0.361(10) 1 d . U P C 1
H2SA H 0.9647 0.5407 0.1948 0.067 Uiso 0.361(10) 1 calc R U P C 1
H2SB H 0.9527 0.5537 0.2611 0.067 Uiso 0.361(10) 1 calc R U P C 1
C3S' C 1.026(2) 0.4970(12) 0.2440(14) 0.065(4) Uani 0.361(10) 1 d . U P C 1
H3SA H 1.0645 0.5125 0.2779 0.078 Uiso 0.361(10) 1 calc R U P C 1
H3SB H 1.0728 0.4967 0.2118 0.078 Uiso 0.361(10) 1 calc R U P C 1
C4S' C 0.993(3) 0.4399(13) 0.2564(12) 0.041(4) Uani 0.361(10) 1 d . U P C 1
H4SA H 1.0353 0.4128 0.2363 0.050 Uiso 0.361(10) 1 calc R U P C 1
H4SB H 0.9994 0.4324 0.2980 0.050 Uiso 0.361(10) 1 calc R U P C 1
C5S C 0.7785(15) 0.4702(7) 0.3771(8) 0.048(3) Uani 0.510(13) 1 d . U P A 1
H5SA H 0.7588 0.4964 0.3460 0.058 Uiso 0.510(13) 1 calc R U P A 1
H5SB H 0.7144 0.4562 0.3933 0.058 Uiso 0.510(13) 1 calc R U P A 1
C6S C 0.8327(17) 0.4945(8) 0.4152(9) 0.055(4) Uani 0.510(13) 1 d . U P A 1
H6SA H 0.7935 0.4971 0.4504 0.065 Uiso 0.510(13) 1 calc R U P A 1
H6SB H 0.8477 0.5325 0.4024 0.065 Uiso 0.510(13) 1 calc R U P A 1
C9S C 0.553(4) 0.416(2) 0.3519(19) 0.057(3) Uani 0.206(16) 1 d D U P D 1
H9SA H 0.5801 0.4534 0.3434 0.068 Uiso 0.206(16) 1 calc R U P D 1
H9SB H 0.4928 0.4084 0.3257 0.068 Uiso 0.206(16) 1 calc R U P D 1
C10S C 0.529(4) 0.413(2) 0.405(2) 0.061(3) Uani 0.206(16) 1 d . U P D 1
H10A H 0.5228 0.4507 0.4202 0.073 Uiso 0.206(16) 1 calc R U P D 1
H10B H 0.4598 0.3954 0.4059 0.073 Uiso 0.206(16) 1 calc R U P D 1
C11S C 0.592(5) 0.386(2) 0.438(2) 0.055(4) Uani 0.206(16) 1 d D U P D 1
H11A H 0.5558 0.3715 0.4716 0.067 Uiso 0.206(16) 1 calc R U P D 1
H11B H 0.6497 0.4095 0.4519 0.067 Uiso 0.206(16) 1 calc R U P D 1
C12S C 0.637(6) 0.330(3) 0.397(3) 0.054(4) Uani 0.206(16) 1 d . U P D 1
H12A H 0.7059 0.3157 0.4100 0.065 Uiso 0.206(16) 1 calc R U P D 1
H12B H 0.5869 0.2994 0.3906 0.065 Uiso 0.206(16) 1 calc R U P D 1
C13S C 0.542(3) 0.3012(17) 0.2408(19) 0.055(3) Uani 0.216(9) 1 d . U P E 1
H13A H 0.5172 0.2984 0.2003 0.066 Uiso 0.216(9) 1 calc R U P E 1
H13B H 0.5181 0.3361 0.2576 0.066 Uiso 0.216(9) 1 calc R U P E 1
C14S C 0.513(4) 0.2493(19) 0.277(2) 0.061(3) Uani 0.216(9) 1 d . U P E 1
H14A H 0.5057 0.2587 0.3175 0.074 Uiso 0.216(9) 1 calc R U P E 1
H14B H 0.4481 0.2319 0.2613 0.074 Uiso 0.216(9) 1 calc R U P E 1
C15S C 0.605(5) 0.213(2) 0.269(3) 0.079(4) Uani 0.216(9) 1 d . U P E 1
H15A H 0.6266 0.1967 0.3063 0.095 Uiso 0.216(9) 1 calc R U P E 1
H15B H 0.5828 0.1818 0.2433 0.095 Uiso 0.216(9) 1 calc R U P E 1
C16S C 0.689(4) 0.2377(17) 0.246(2) 0.061(4) Uani 0.216(9) 1 d . U P E 1
H16A H 0.6991 0.2253 0.2068 0.073 Uiso 0.216(9) 1 calc R U P E 1
H16B H 0.7527 0.2310 0.2704 0.073 Uiso 0.216(9) 1 calc R U P E 1
C17S C 0.8654(15) 0.3527(6) 0.1371(7) 0.045(3) Uani 0.623(19) 1 d . U P F 1
H17A H 0.7993 0.3645 0.1179 0.055 Uiso 0.623(19) 1 calc R U P F 1
H17B H 0.9102 0.3856 0.1426 0.055 Uiso 0.623(19) 1 calc R U P F 1
C18S C 0.9142(15) 0.3131(7) 0.1034(8) 0.052(4) Uani 0.623(19) 1 d . U P F 1
H18A H 0.9743 0.3298 0.0853 0.063 Uiso 0.623(19) 1 calc R U P F 1
H18B H 0.8654 0.2993 0.0728 0.063 Uiso 0.623(19) 1 calc R U P F 1
C19S C 0.9484(16) 0.2673(11) 0.1418(12) 0.043(4) Uani 0.623(19) 1 d . U P F 1
H19A H 1.0194 0.2738 0.1581 0.052 Uiso 0.623(19) 1 calc R U P F 1
H19B H 0.9464 0.2316 0.1212 0.052 Uiso 0.623(19) 1 calc R U P F 1
C20S C 0.8692(15) 0.2685(6) 0.1889(7) 0.045(4) Uani 0.623(19) 1 d . U P F 1
H20A H 0.8064 0.2471 0.1772 0.055 Uiso 0.623(19) 1 calc R U P F 1
H20B H 0.8993 0.2533 0.2253 0.055 Uiso 0.623(19) 1 calc R U P F 1
C1S C 0.8615(10) 0.4865(5) 0.1994(6) 0.035(3) Uani 0.639(10) 1 d . U P C 2
H1SC H 0.8275 0.4756 0.1623 0.042 Uiso 0.639(10) 1 calc R U P C 2
H1SD H 0.8147 0.5118 0.2191 0.042 Uiso 0.639(10) 1 calc R U P C 2
C2S C 0.9600(11) 0.5143(6) 0.1901(7) 0.056(4) Uani 0.639(10) 1 d . U P C 2
H2SC H 0.9669 0.5218 0.1489 0.067 Uiso 0.639(10) 1 calc R U P C 2
H2SD H 0.9642 0.5498 0.2110 0.067 Uiso 0.639(10) 1 calc R U P C 2
C3S C 1.0322(13) 0.4811(7) 0.2090(8) 0.065(4) Uani 0.639(10) 1 d . U P C 2
H3SC H 1.0760 0.5008 0.2382 0.078 Uiso 0.639(10) 1 calc R U P C 2
H3SD H 1.0763 0.4718 0.1770 0.078 Uiso 0.639(10) 1 calc R U P C 2
C4S C 0.9966(13) 0.4298(7) 0.2340(6) 0.041(4) Uani 0.639(10) 1 d . U P C 2
H4SC H 1.0282 0.4245 0.2729 0.050 Uiso 0.639(10) 1 calc R U P C 2
H4SD H 1.0141 0.3977 0.2101 0.050 Uiso 0.639(10) 1 calc R U P C 2
C5S' C 0.8281(16) 0.4827(7) 0.3510(8) 0.048(3) Uani 0.490(13) 1 d . U P A 2
H5SC H 0.8559 0.4965 0.3151 0.058 Uiso 0.490(13) 1 calc R U P A 2
H5SD H 0.7538 0.4924 0.3506 0.058 Uiso 0.490(13) 1 calc R U P A 2
C6S' C 0.8742(18) 0.5057(8) 0.3924(9) 0.055(4) Uani 0.490(13) 1 d . U P A 2
H6SC H 0.8233 0.5243 0.4162 0.065 Uiso 0.490(13) 1 calc R U P A 2
H6SD H 0.9215 0.5343 0.3784 0.065 Uiso 0.490(13) 1 calc R U P A 2
C9S' C 0.5362(10) 0.3917(6) 0.3386(5) 0.057(3) Uani 0.794(16) 1 d . U P D 2
H9SC H 0.4987 0.3735 0.3059 0.068 Uiso 0.794(16) 1 calc R U P D 2
H9SD H 0.5369 0.4320 0.3316 0.068 Uiso 0.794(16) 1 calc R U P D 2
C10X C 0.4844(10) 0.3791(6) 0.3935(5) 0.061(3) Uani 0.794(16) 1 d . U P D 2
H10C H 0.4427 0.4110 0.4053 0.073 Uiso 0.794(16) 1 calc R U P D 2
H10D H 0.4384 0.3466 0.3885 0.073 Uiso 0.794(16) 1 calc R U P D 2
C11X C 0.5674(11) 0.3678(6) 0.4359(5) 0.055(4) Uani 0.794(16) 1 d . U P D 2
H11C H 0.5472 0.3382 0.4622 0.067 Uiso 0.794(16) 1 calc R U P D 2
H11D H 0.5846 0.4014 0.4585 0.067 Uiso 0.794(16) 1 calc R U P D 2
C12X C 0.6572(13) 0.3502(6) 0.4031(7) 0.054(4) Uani 0.794(16) 1 d . . P D 2
H12C H 0.7220 0.3656 0.4207 0.065 Uiso 0.794(16) 1 calc R U P D 2
H12D H 0.6626 0.3094 0.4030 0.065 Uiso 0.794(16) 1 calc R U P D 2
C13X C 0.5822(9) 0.2936(5) 0.2002(5) 0.055(3) Uani 0.784(9) 1 d . . P E 2
H13C H 0.6113 0.2762 0.1663 0.066 Uiso 0.784(9) 1 calc R U P E 2
H13D H 0.5596 0.3316 0.1900 0.066 Uiso 0.784(9) 1 calc R U P E 2
C14X C 0.4912(9) 0.2593(5) 0.2215(5) 0.061(3) Uani 0.784(9) 1 d . U P E 2
H14C H 0.4433 0.2826 0.2427 0.074 Uiso 0.784(9) 1 calc R U P E 2
H14D H 0.4523 0.2411 0.1892 0.074 Uiso 0.784(9) 1 calc R U P E 2
C15X C 0.5410(13) 0.2203(7) 0.2575(7) 0.079(4) Uani 0.784(9) 1 d . U P E 2
H15C H 0.5519 0.1856 0.2363 0.095 Uiso 0.784(9) 1 calc R U P E 2
H15D H 0.4978 0.2120 0.2902 0.095 Uiso 0.784(9) 1 calc R U P E 2
C16X C 0.6435(11) 0.2438(5) 0.2790(6) 0.061(4) Uani 0.784(9) 1 d . U P E 2
H16C H 0.6431 0.2510 0.3206 0.073 Uiso 0.784(9) 1 calc R U P E 2
H16D H 0.7000 0.2175 0.2718 0.073 Uiso 0.784(9) 1 calc R U P E 2
C17X C 0.817(2) 0.3400(11) 0.1375(11) 0.045(3) Uani 0.377(19) 1 d . U P F 2
H17C H 0.7407 0.3368 0.1310 0.055 Uiso 0.377(19) 1 calc R U P F 2
H17D H 0.8373 0.3784 0.1289 0.055 Uiso 0.377(19) 1 calc R U P F 2
C18X C 0.867(3) 0.3029(13) 0.1029(13) 0.052(4) Uani 0.377(19) 1 d . U P F 2
H18C H 0.9171 0.3227 0.0800 0.063 Uiso 0.377(19) 1 calc R U P F 2
H18D H 0.8156 0.2846 0.0762 0.063 Uiso 0.377(19) 1 calc R U P F 2
C19X C 0.921(3) 0.2604(19) 0.140(2) 0.043(4) Uani 0.377(19) 1 d . U P F 2
H19C H 0.8871 0.2240 0.1355 0.052 Uiso 0.377(19) 1 calc R U P F 2
H19D H 0.9941 0.2567 0.1301 0.052 Uiso 0.377(19) 1 calc R U P F 2
C20X C 0.916(3) 0.2786(11) 0.1972(12) 0.045(4) Uani 0.377(19) 1 d . U P F 2
H20C H 0.9858 0.2895 0.2129 0.055 Uiso 0.377(19) 1 calc R U P F 2
H20D H 0.8891 0.2491 0.2216 0.055 Uiso 0.377(19) 1 calc R U P F 2
O6S O 0.7784(7) 0.6066(3) 0.2647(3) 0.099(3) Uani 1 1 d . . . . .
C21S C 0.8115(10) 0.6522(5) 0.2343(5) 0.090(4) Uani 1 1 d . . . . .
H21A H 0.7590 0.6618 0.2038 0.109 Uiso 1 1 calc R U . . .
H21B H 0.8768 0.6432 0.2161 0.109 Uiso 1 1 calc R U . . .
C22S C 0.8271(13) 0.6972(5) 0.2714(5) 0.134(6) Uani 1 1 d . . . . .
H22A H 0.7920 0.7304 0.2552 0.161 Uiso 1 1 calc R U . . .
H22B H 0.9019 0.7053 0.2769 0.161 Uiso 1 1 calc R U . . .
C23S C 0.7836(8) 0.6822(4) 0.3267(4) 0.075(3) Uani 1 1 d . . . . .
H23A H 0.7308 0.7093 0.3377 0.090 Uiso 1 1 calc R U . . .
H23B H 0.8385 0.6800 0.3576 0.090 Uiso 1 1 calc R U . . .
C24S C 0.7367(11) 0.6270(4) 0.3146(4) 0.096(4) Uani 1 1 d . . . . .
H24A H 0.7526 0.6016 0.3470 0.115 Uiso 1 1 calc R U . . .
H24B H 0.6606 0.6304 0.3092 0.115 Uiso 1 1 calc R U . . .
C25 C 0.6241(7) 0.0931(3) 0.1044(3) 0.044(2) Uani 1 1 d . . . . .
C26 C 0.5548(7) 0.0561(4) 0.0782(3) 0.048(2) Uani 1 1 d . . . . .
H26 H 0.5768 0.0192 0.0723 0.058 Uiso 1 1 calc R U . . .
C27 C 0.4537(7) 0.0710(4) 0.0600(4) 0.060(3) Uani 1 1 d . . . . .
H27 H 0.4083 0.0442 0.0429 0.072 Uiso 1 1 calc R U . . .
C28 C 0.4206(7) 0.1250(5) 0.0671(4) 0.066(3) Uani 1 1 d . . . . .
H28 H 0.3535 0.1360 0.0533 0.079 Uiso 1 1 calc R U . . .
C29 C 0.4851(9) 0.1620(5) 0.0939(4) 0.071(3) Uani 1 1 d . . . . .
H29 H 0.4621 0.1987 0.1000 0.085 Uiso 1 1 calc R U . . .
C30 C 0.5851(8) 0.1466(4) 0.1126(4) 0.059(3) Uani 1 1 d . . . . .
H30 H 0.6283 0.1732 0.1315 0.070 Uiso 1 1 calc R U . . .
C31 C 0.8234(7) 0.1143(3) 0.0830(3) 0.043(2) Uani 1 1 d . . . . .
C32 C 0.9300(7) 0.1032(3) 0.0862(4) 0.053(2) Uani 1 1 d . . . . .
H32 H 0.9549 0.0748 0.1112 0.064 Uiso 1 1 calc R U . . .
C33 C 1.0002(7) 0.1317(4) 0.0548(4) 0.057(2) Uani 1 1 d . . . . .
H33 H 1.0715 0.1224 0.0582 0.068 Uiso 1 1 calc R U . . .
C34 C 0.9666(8) 0.1738(4) 0.0184(4) 0.059(3) Uani 1 1 d . . . . .
H34 H 1.0143 0.1940 -0.0031 0.070 Uiso 1 1 calc R U . . .
C35 C 0.8640(8) 0.1856(4) 0.0139(3) 0.058(3) Uani 1 1 d . . . . .
H35 H 0.8393 0.2142 -0.0110 0.069 Uiso 1 1 calc R U . . .
C36 C 0.7955(7) 0.1563(4) 0.0456(3) 0.050(2) Uani 1 1 d . . . . .
H36 H 0.7243 0.1657 0.0413 0.060 Uiso 1 1 calc R U . . .
C37 C 0.7666(6) 0.0940(3) 0.1912(3) 0.041(2) Uani 1 1 d . . . . .
C38 C 0.8501(6) 0.1240(3) 0.2146(3) 0.043(2) Uani 1 1 d . . . . .
H38 H 0.8973 0.1392 0.1891 0.051 Uiso 1 1 calc R U . . .
C39 C 0.8689(6) 0.1332(3) 0.2722(3) 0.0416(19) Uani 1 1 d . U . . .
H39 H 0.9267 0.1547 0.2851 0.050 Uiso 1 1 calc R U . . .
C40 C 0.8050(7) 0.1115(3) 0.3106(4) 0.049(2) Uani 1 1 d . U . . .
H40 H 0.8190 0.1161 0.3505 0.059 Uiso 1 1 calc R U . . .
C41 C 0.7187(7) 0.0826(4) 0.2899(4) 0.056(2) Uani 1 1 d . . . . .
H41 H 0.6715 0.0682 0.3159 0.068 Uiso 1 1 calc R U . . .
C42 C 0.7005(7) 0.0744(4) 0.2317(3) 0.051(2) Uani 1 1 d . . . . .
H42 H 0.6404 0.0546 0.2190 0.061 Uiso 1 1 calc R U . . .
C43 C 0.7669(6) 0.0123(3) 0.1124(4) 0.043(2) Uani 1 1 d . . . . .
C44 C 0.7743(7) -0.0284(3) 0.1536(4) 0.055(2) Uani 1 1 d . . . . .
H44 H 0.7699 -0.0176 0.1924 0.067 Uiso 1 1 calc R U . . .
C45 C 0.7877(8) -0.0830(4) 0.1422(5) 0.079(3) Uani 1 1 d . . . . .
H45 H 0.7945 -0.1085 0.1730 0.095 Uiso 1 1 calc R U . . .
C46 C 0.7915(7) -0.1016(4) 0.0878(6) 0.074(3) Uani 1 1 d . . . . .
H46 H 0.7982 -0.1399 0.0800 0.089 Uiso 1 1 calc R U . . .
C47 C 0.7852(7) -0.0631(4) 0.0436(5) 0.066(3) Uani 1 1 d . . . . .
H47 H 0.7896 -0.0753 0.0052 0.079 Uiso 1 1 calc R U . . .
C48 C 0.7726(7) -0.0065(4) 0.0548(4) 0.063(3) Uani 1 1 d . . . . .
B1 B 0.7435(8) 0.0791(4) 0.1231(4) 0.044(2) Uani 1 1 d . . . . .
O6X O 1.1796(16) 0.3877(8) 0.1297(8) 0.115(5) Uani 0.580(14) 1 d . U P G 1
C25X C 1.184(2) 0.3534(10) 0.1830(13) 0.114(7) Uani 0.580(14) 1 d . U P G 1
H25A H 1.1238 0.3617 0.2059 0.137 Uiso 0.580(14) 1 calc R U P G 1
H25B H 1.1817 0.3137 0.1728 0.137 Uiso 0.580(14) 1 calc R U P G 1
C26X C 1.273(2) 0.3642(12) 0.2146(12) 0.120(8) Uani 0.580(14) 1 d . U P G 1
H26A H 1.3218 0.3333 0.2103 0.145 Uiso 0.580(14) 1 calc R U P G 1
H26B H 1.2570 0.3666 0.2555 0.145 Uiso 0.580(14) 1 calc R U P G 1
C27X C 1.3210(17) 0.4152(10) 0.1976(9) 0.076(5) Uani 0.580(14) 1 d . U P G 1
H27A H 1.3933 0.4088 0.1873 0.091 Uiso 0.580(14) 1 calc R U P G 1
H27B H 1.3204 0.4430 0.2286 0.091 Uiso 0.580(14) 1 calc R U P G 1
C28X C 1.2466(18) 0.4357(8) 0.1399(8) 0.065(4) Uani 0.580(14) 1 d . U P G 1
H28A H 1.2060 0.4691 0.1485 0.079 Uiso 0.580(14) 1 calc R U P G 1
H28B H 1.2889 0.4432 0.1067 0.079 Uiso 0.580(14) 1 calc R U P G 1
O7S O 1.0430(14) 0.4656(7) 0.0406(7) 0.082(5) Uani 0.5 1 d . . P H 1
C53 C 0.9524(13) 0.4591(5) 0.0246(7) 0.115(5) Uani 1 1 d D . . H 1
H53A H 0.9076 0.4763 0.0527 0.138 Uiso 1 1 calc R U . H 1
H53B H 0.9368 0.4191 0.0233 0.138 Uiso 1 1 calc R U . H 1
C54 C 0.9280(8) 0.4830(5) -0.0314(6) 0.081(3) Uani 1 1 d . . . H 1
H54A H 0.9597 0.4593 -0.0602 0.098 Uiso 1 1 calc R U . H 1
H54B H 0.8522 0.4810 -0.0387 0.098 Uiso 1 1 calc R U . H 1
O6S' O 0.216(2) 0.3504(11) 0.1458(12) 0.115(5) Uani 0.420(14) 1 d . . P G 2
C25S C 0.269(3) 0.3437(11) 0.1814(17) 0.114(7) Uani 0.420(14) 1 d D . P G 2
H25C H 0.3050 0.3081 0.1765 0.137 Uiso 0.420(14) 1 calc R U P G 2
H25D H 0.2303 0.3413 0.2169 0.137 Uiso 0.420(14) 1 calc R U P G 2
C26S C 0.340(3) 0.3856(15) 0.1866(18) 0.120(8) Uani 0.420(14) 1 d D . P G 2
H26C H 0.3573 0.3933 0.2274 0.145 Uiso 0.420(14) 1 calc R U P G 2
H26D H 0.4042 0.3748 0.1681 0.145 Uiso 0.420(14) 1 calc R U P G 2
C27S C 0.298(3) 0.4317(10) 0.1605(14) 0.076(5) Uani 0.420(14) 1 d D . P G 2
H27C H 0.3508 0.4546 0.1426 0.091 Uiso 0.420(14) 1 calc R U P G 2
H27D H 0.2591 0.4545 0.1871 0.091 Uiso 0.420(14) 1 calc R U P G 2
C28S C 0.224(2) 0.4017(11) 0.1146(11) 0.065(4) Uani 0.420(14) 1 d D . P G 2
H28C H 0.1572 0.4208 0.1086 0.079 Uiso 0.420(14) 1 calc R U P G 2
H28D H 0.2571 0.3967 0.0776 0.079 Uiso 0.420(14) 1 calc 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 O1 2.159(4) . ?
Dy1 O1S 2.424(5) . ?
Dy1 O2 2.168(4) . ?
Dy1 O2S 2.380(5) . ?
Dy1 O3S 2.399(5) . ?
Dy1 O4S 2.381(5) . ?
Dy1 O5S 2.403(5) . ?
F1 C2 1.355(7) . ?
F2 C3 1.336(7) . ?
F3 C5 1.352(7) . ?
F4 C6 1.353(8) . ?
F5 C8 1.347(8) . ?
F6 C9 1.336(9) . ?
F7 C10 1.336(8) . ?
F8 C11 1.350(9) . ?
F9 C12 1.347(8) . ?
F10 C14 1.361(8) . ?
F11 C15 1.351(8) . ?
F12 C17 1.354(8) . ?
F13 C18 1.350(8) . ?
F14 C20 1.341(9) . ?
F15 C21 1.344(10) . ?
F16 C22 1.346(9) . ?
F17 C23 1.334(9) . ?
F18 C24 1.348(9) . ?
O1 C1 1.289(7) . ?
O1S C1S' 1.42(2) . ?
O1S C4S' 1.47(3) . ?
O1S C1S 1.503(13) . ?
O1S C4S 1.467(18) . ?
O2 C13 1.295(8) . ?
O2S C8S 1.444(10) . ?
O2S C5S 1.518(17) . ?
O2S C5S' 1.465(17) . ?
O3S C9S 1.59(5) . ?
O3S C12S 1.55(6) . ?
O3S C9S' 1.448(13) . ?
O3S C12X 1.446(16) . ?
O4S C13S 1.50(4) . ?
O4S C16S 1.43(4) . ?
O4S C13X 1.453(11) . ?
O4S C16X 1.436(12) . ?
O5S C17S 1.513(16) . ?
O5S C20S 1.450(16) . ?
O5S C17X 1.40(3) . ?
O5S C20X 1.48(3) . ?
C1 C2 1.392(9) . ?
C1 C6 1.414(10) . ?
C2 C3 1.375(9) . ?
C3 C4 1.395(9) . ?
C4 C5 1.403(9) . ?
C4 C7 1.478(9) . ?
C5 C6 1.359(9) . ?
C7 C8 1.388(10) . ?
C7 C12 1.382(10) . ?
C7S H7SA 0.9900 . ?
C7S H7SB 0.9900 . ?
C7S H7SC 0.9900 . ?
C7S H7SD 0.9900 . ?
C7S C8S 1.458(11) . ?
C7S C6S 1.56(2) . ?
C7S C6S' 1.54(2) . ?
C8 C9 1.363(10) . ?
C8S H8SA 0.9900 . ?
C8S H8SB 0.9900 . ?
C9 C10 1.378(12) . ?
C10 C11 1.369(12) . ?
C11 C12 1.388(10) . ?
C13 C14 1.389(10) . ?
C13 C18 1.388(9) . ?
C14 C15 1.387(10) . ?
C15 C16 1.372(10) . ?
C16 C17 1.372(10) . ?
C16 C19 1.480(10) . ?
C17 C18 1.381(10) . ?
C19 C20 1.385(11) . ?
C19 C24 1.374(10) . ?
C20 C21 1.391(11) . ?
C21 C22 1.367(13) . ?
C22 C23 1.364(13) . ?
C23 C24 1.379(11) . ?
C1S' H1SA 0.9900 . ?
C1S' H1SB 0.9900 . ?
C1S' C2S' 1.49(3) . ?
C2S' H2SA 0.9900 . ?
C2S' H2SB 0.9900 . ?
C2S' C3S' 1.13(3) . ?
C3S' H3SA 0.9900 . ?
C3S' H3SB 0.9900 . ?
C3S' C4S' 1.48(4) . ?
C4S' H4SA 0.9900 . ?
C4S' H4SB 0.9900 . ?
C5S H5SA 0.9900 . ?
C5S H5SB 0.9900 . ?
C5S C6S 1.25(2) . ?
C6S H6SA 0.9900 . ?
C6S H6SB 0.9900 . ?
C9S H9SA 0.9900 . ?
C9S H9SB 0.9900 . ?
C9S C10S 1.30(6) . ?
C10S H10A 0.9900 . ?
C10S H10B 0.9900 . ?
C10S C11S 1.28(7) . ?
C11S H11A 0.9900 . ?
C11S H11B 0.9900 . ?
C11S C12S 1.78(9) . ?
C12S H12A 0.9900 . ?
C12S H12B 0.9900 . ?
C13S H13A 0.9900 . ?
C13S H13B 0.9900 . ?
C13S C14S 1.57(6) . ?
C14S H14A 0.9900 . ?
C14S H14B 0.9900 . ?
C14S C15S 1.50(8) . ?
C15S H15A 0.9900 . ?
C15S H15B 0.9900 . ?
C15S C16S 1.37(7) . ?
C16S H16A 0.9900 . ?
C16S H16B 0.9900 . ?
C17S H17A 0.9900 . ?
C17S H17B 0.9900 . ?
C17S C18S 1.41(2) . ?
C18S H18A 0.9900 . ?
C18S H18B 0.9900 . ?
C18S C19S 1.48(3) . ?
C19S H19A 0.9900 . ?
C19S H19B 0.9900 . ?
C19S C20S 1.54(3) . ?
C20S H20A 0.9900 . ?
C20S H20B 0.9900 . ?
C1S H1SC 0.9900 . ?
C1S H1SD 0.9900 . ?
C1S C2S 1.468(18) . ?
C2S H2SC 0.9900 . ?
C2S H2SD 0.9900 . ?
C2S C3S 1.294(19) . ?
C3S H3SC 0.9900 . ?
C3S H3SD 0.9900 . ?
C3S C4S 1.46(2) . ?
C4S H4SC 0.9900 . ?
C4S H4SD 0.9900 . ?
C5S' H5SC 0.9900 . ?
C5S' H5SD 0.9900 . ?
C5S' C6S' 1.25(2) . ?
C6S' H6SC 0.9900 . ?
C6S' H6SD 0.9900 . ?
C9S' H9SC 0.9900 . ?
C9S' H9SD 0.9900 . ?
C9S' C10X 1.509(16) . ?
C10X H10C 0.9900 . ?
C10X H10D 0.9900 . ?
C10X C11X 1.453(17) . ?
C11X H11C 0.9900 . ?
C11X H11D 0.9900 . ?
C11X C12X 1.49(2) . ?
C12X H12C 0.9900 . ?
C12X H12D 0.9900 . ?
C13X H13C 0.9900 . ?
C13X H13D 0.9900 . ?
C13X C14X 1.545(15) . ?
C14X H14C 0.9900 . ?
C14X H14D 0.9900 . ?
C14X C15X 1.402(18) . ?
C15X H15C 0.9900 . ?
C15X H15D 0.9900 . ?
C15X C16X 1.507(19) . ?
C16X H16C 0.9900 . ?
C16X H16D 0.9900 . ?
C17X H17C 0.9900 . ?
C17X H17D 0.9900 . ?
C17X C18X 1.39(4) . ?
C18X H18C 0.9900 . ?
C18X H18D 0.9900 . ?
C18X C19X 1.51(5) . ?
C19X H19C 0.9900 . ?
C19X H19D 0.9900 . ?
C19X C20X 1.40(5) . ?
C20X H20C 0.9900 . ?
C20X H20D 0.9900 . ?
O6S C21S 1.393(12) . ?
O6S C24S 1.402(11) . ?
C21S H21A 0.9900 . ?
C21S H21B 0.9900 . ?
C21S C22S 1.401(13) . ?
C22S H22A 0.9900 . ?
C22S H22B 0.9900 . ?
C22S C23S 1.484(14) . ?
C23S H23A 0.9900 . ?
C23S H23B 0.9900 . ?
C23S C24S 1.490(13) . ?
C24S H24A 0.9900 . ?
C24S H24B 0.9900 . ?
C25 C26 1.389(11) . ?
C25 C30 1.406(11) . ?
C25 B1 1.622(13) . ?
C26 H26 0.9500 . ?
C26 C27 1.404(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.390(12) . ?
C28 H28 0.9500 . ?
C28 C29 1.358(14) . ?
C29 H29 0.9500 . ?
C29 C30 1.397(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.406(12) . ?
C31 C36 1.377(11) . ?
C31 B1 1.666(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.382(11) . ?
C33 H33 0.9500 . ?
C33 C34 1.385(13) . ?
C34 H34 0.9500 . ?
C34 C35 1.359(13) . ?
C35 H35 0.9500 . ?
C35 C36 1.380(11) . ?
C36 H36 0.9500 . ?
C37 C38 1.393(11) . ?
C37 C42 1.393(11) . ?
C37 B1 1.646(12) . ?
C38 H38 0.9500 . ?
C38 C39 1.377(10) . ?
C39 H39 0.9500 . ?
C39 C40 1.356(11) . ?
C40 H40 0.9500 . ?
C40 C41 1.387(12) . ?
C41 H41 0.9500 . ?
C41 C42 1.384(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.380(11) . ?
C43 C48 1.427(11) . ?
C43 B1 1.665(12) . ?
C44 H44 0.9500 . ?
C44 C45 1.360(12) . ?
C45 H45 0.9500 . ?
C45 C46 1.355(14) . ?
C46 H46 0.9500 . ?
C46 C47 1.393(14) . ?
C47 H47 0.9500 . ?
C47 C48 1.406(12) . ?
O6X C25X 1.50(3) . ?
O6X C28X 1.46(2) . ?
C25X H25A 0.9900 . ?
C25X H25B 0.9900 . ?
C25X C26X 1.36(4) . ?
C26X H26A 0.9900 . ?
C26X H26B 0.9900 . ?
C26X C27X 1.45(3) . ?
C27X H27A 0.9900 . ?
C27X H27B 0.9900 . ?
C27X C28X 1.69(3) . ?
C28X H28A 0.9900 . ?
C28X H28B 0.9900 . ?
O7S C53 1.225(18) . ?
O7S C54 1.319(17) 3_765 ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C54 1.453(16) . ?
C54 O7S 1.319(17) 3_765 ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
O6S' C25S 1.07(4) . ?
O6S' C28S 1.45(3) . ?
C25S H25C 0.9900 . ?
C25S H25D 0.9900 . ?
C25S C26S 1.373(19) . ?
C26S H26C 0.9900 . ?
C26S H26D 0.9900 . ?
C26S C27S 1.37(4) . ?
C27S H27C 0.9900 . ?
C27S H27D 0.9900 . ?
C27S C28S 1.58(4) . ?
C28S H28C 0.9900 . ?
C28S H28D 0.9900 . ?

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 O1S 79.56(17) . . ?
O1 Dy1 O2 168.69(18) . . ?
O1 Dy1 O2S 106.60(17) . . ?
O1 Dy1 O3S 82.05(17) . . ?
O1 Dy1 O4S 85.33(17) . . ?
O1 Dy1 O5S 97.66(17) . . ?
O2 Dy1 O1S 111.13(18) . . ?
O2 Dy1 O2S 80.80(18) . . ?
O2 Dy1 O3S 92.16(18) . . ?
O2 Dy1 O4S 83.84(18) . . ?
O2 Dy1 O5S 82.64(17) . . ?
O2S Dy1 O1S 73.19(19) . . ?
O2S Dy1 O3S 73.5(2) . . ?
O2S Dy1 O4S 145.14(19) . . ?
O2S Dy1 O5S 133.2(2) . . ?
O3S Dy1 O1S 135.08(18) . . ?
O3S Dy1 O5S 150.75(19) . . ?
O4S Dy1 O1S 141.67(17) . . ?
O4S Dy1 O3S 76.06(19) . . ?
O4S Dy1 O5S 74.78(18) . . ?
O5S Dy1 O1S 72.65(17) . . ?
C1 O1 Dy1 163.5(5) . . ?
C1S' O1S Dy1 121.4(11) . . ?
C1S' O1S C4S' 102.1(16) . . ?
C4S' O1S Dy1 120.3(12) . . ?
C1S O1S Dy1 131.1(6) . . ?
C4S O1S Dy1 124.2(7) . . ?
C4S O1S C1S 103.9(9) . . ?
C13 O2 Dy1 166.8(5) . . ?
C8S O2S Dy1 132.4(5) . . ?
C8S O2S C5S 105.3(8) . . ?
C8S O2S C5S' 104.0(9) . . ?
C5S O2S Dy1 121.0(7) . . ?
C5S' O2S Dy1 118.9(7) . . ?
C9S O3S Dy1 127.1(18) . . ?
C12S O3S Dy1 124(3) . . ?
C12S O3S C9S 108(3) . . ?
C9S' O3S Dy1 127.9(6) . . ?
C12X O3S Dy1 123.7(7) . . ?
C12X O3S C9S' 108.4(9) . . ?
C13S O4S Dy1 122.5(17) . . ?
C16S O4S Dy1 124.2(19) . . ?
C16S O4S C13S 113(2) . . ?
C13X O4S Dy1 126.5(5) . . ?
C16X O4S Dy1 127.0(6) . . ?
C16X O4S C13X 106.3(8) . . ?
C17S O5S Dy1 128.1(6) . . ?
C20S O5S Dy1 125.2(7) . . ?
C20S O5S C17S 106.3(9) . . ?
C17X O5S Dy1 123.5(11) . . ?
C17X O5S C20X 111.1(16) . . ?
C20X O5S Dy1 124.9(11) . . ?
O1 C1 C2 123.9(6) . . ?
O1 C1 C6 122.5(6) . . ?
C2 C1 C6 113.6(6) . . ?
F1 C2 C1 118.1(6) . . ?
F1 C2 C3 118.1(6) . . ?
C3 C2 C1 123.8(6) . . ?
F2 C3 C2 118.5(6) . . ?
F2 C3 C4 119.4(6) . . ?
C2 C3 C4 122.1(6) . . ?
C3 C4 C5 114.7(6) . . ?
C3 C4 C7 122.6(6) . . ?
C5 C4 C7 122.7(6) . . ?
F3 C5 C4 118.4(6) . . ?
F3 C5 C6 118.6(6) . . ?
C6 C5 C4 122.9(6) . . ?
F4 C6 C1 117.9(6) . . ?
F4 C6 C5 119.2(6) . . ?
C5 C6 C1 122.9(7) . . ?
C8 C7 C4 122.1(6) . . ?
C12 C7 C4 122.1(6) . . ?
C12 C7 C8 115.8(6) . . ?
H7SA C7S H7SB 109.2 . . ?
H7SC C7S H7SD 109.3 . . ?
C8S C7S H7SA 111.3 . . ?
C8S C7S H7SB 111.3 . . ?
C8S C7S H7SC 111.4 . . ?
C8S C7S H7SD 111.4 . . ?
C8S C7S C6S 102.5(10) . . ?
C8S C7S C6S' 101.7(10) . . ?
C6S C7S H7SA 111.3 . . ?
C6S C7S H7SB 111.3 . . ?
C6S' C7S H7SC 111.4 . . ?
C6S' C7S H7SD 111.4 . . ?
F5 C8 C7 119.1(6) . . ?
F5 C8 C9 117.3(7) . . ?
C9 C8 C7 123.6(7) . . ?
O2S C8S C7S 107.6(7) . . ?
O2S C8S H8SA 110.2 . . ?
O2S C8S H8SB 110.2 . . ?
C7S C8S H8SA 110.2 . . ?
C7S C8S H8SB 110.2 . . ?
H8SA C8S H8SB 108.5 . . ?
F6 C9 C8 121.6(8) . . ?
F6 C9 C10 119.5(7) . . ?
C8 C9 C10 118.8(8) . . ?
F7 C10 C9 120.1(9) . . ?
F7 C10 C11 119.8(9) . . ?
C11 C10 C9 120.1(7) . . ?
F8 C11 C10 120.9(7) . . ?
F8 C11 C12 119.4(8) . . ?
C10 C11 C12 119.6(8) . . ?
F9 C12 C7 120.1(6) . . ?
F9 C12 C11 117.9(7) . . ?
C7 C12 C11 122.0(7) . . ?
O2 C13 C14 121.5(7) . . ?
O2 C13 C18 123.8(7) . . ?
C18 C13 C14 114.7(7) . . ?
F10 C14 C13 118.8(6) . . ?
F10 C14 C15 118.6(7) . . ?
C15 C14 C13 122.6(7) . . ?
F11 C15 C14 118.3(7) . . ?
F11 C15 C16 119.8(7) . . ?
C16 C15 C14 121.9(7) . . ?
C15 C16 C19 121.8(7) . . ?
C17 C16 C15 115.8(7) . . ?
C17 C16 C19 122.4(7) . . ?
F12 C17 C16 119.6(6) . . ?
F12 C17 C18 117.6(7) . . ?
C16 C17 C18 122.8(7) . . ?
F13 C18 C13 118.6(6) . . ?
F13 C18 C17 119.3(6) . . ?
C17 C18 C13 122.1(7) . . ?
C20 C19 C16 121.4(7) . . ?
C24 C19 C16 122.5(8) . . ?
C24 C19 C20 116.0(7) . . ?
F14 C20 C19 120.3(7) . . ?
F14 C20 C21 118.0(8) . . ?
C19 C20 C21 121.7(8) . . ?
F15 C21 C20 120.1(9) . . ?
F15 C21 C22 120.5(9) . . ?
C22 C21 C20 119.5(9) . . ?
F16 C22 C21 119.1(10) . . ?
F16 C22 C23 120.2(9) . . ?
C23 C22 C21 120.7(8) . . ?
F17 C23 C22 120.4(8) . . ?
F17 C23 C24 121.1(9) . . ?
C22 C23 C24 118.5(8) . . ?
F18 C24 C19 118.7(7) . . ?
F18 C24 C23 117.6(8) . . ?
C19 C24 C23 123.6(8) . . ?
O1S C1S' H1SA 110.8 . . ?
O1S C1S' H1SB 110.8 . . ?
O1S C1S' C2S' 104.9(18) . . ?
H1SA C1S' H1SB 108.8 . . ?
C2S' C1S' H1SA 110.8 . . ?
C2S' C1S' H1SB 110.8 . . ?
C1S' C2S' H2SA 108.7 . . ?
C1S' C2S' H2SB 108.7 . . ?
H2SA C2S' H2SB 107.6 . . ?
C3S' C2S' C1S' 114(3) . . ?
C3S' C2S' H2SA 108.7 . . ?
C3S' C2S' H2SB 108.7 . . ?
C2S' C3S' H3SA 109.7 . . ?
C2S' C3S' H3SB 109.7 . . ?
C2S' C3S' C4S' 110(3) . . ?
H3SA C3S' H3SB 108.2 . . ?
C4S' C3S' H3SA 109.7 . . ?
C4S' C3S' H3SB 109.7 . . ?
O1S C4S' C3S' 106(2) . . ?
O1S C4S' H4SA 110.6 . . ?
O1S C4S' H4SB 110.6 . . ?
C3S' C4S' H4SA 110.6 . . ?
C3S' C4S' H4SB 110.6 . . ?
H4SA C4S' H4SB 108.7 . . ?
O2S C5S H5SA 109.8 . . ?
O2S C5S H5SB 109.8 . . ?
H5SA C5S H5SB 108.2 . . ?
C6S C5S O2S 109.6(15) . . ?
C6S C5S H5SA 109.8 . . ?
C6S C5S H5SB 109.8 . . ?
C7S C6S H6SA 109.3 . . ?
C7S C6S H6SB 109.3 . . ?
C5S C6S C7S 111.7(15) . . ?
C5S C6S H6SA 109.3 . . ?
C5S C6S H6SB 109.3 . . ?
H6SA C6S H6SB 107.9 . . ?
O3S C9S H9SA 110.7 . . ?
O3S C9S H9SB 110.7 . . ?
H9SA C9S H9SB 108.8 . . ?
C10S C9S O3S 105(3) . . ?
C10S C9S H9SA 110.7 . . ?
C10S C9S H9SB 110.7 . . ?
C9S C10S H10A 108.3 . . ?
C9S C10S H10B 108.3 . . ?
H10A C10S H10B 107.4 . . ?
C11S C10S C9S 116(5) . . ?
C11S C10S H10A 108.3 . . ?
C11S C10S H10B 108.3 . . ?
C10S C11S H11A 110.5 . . ?
C10S C11S H11B 110.5 . . ?
C10S C11S C12S 106(4) . . ?
H11A C11S H11B 108.7 . . ?
C12S C11S H11A 110.5 . . ?
C12S C11S H11B 110.5 . . ?
O3S C12S C11S 88(3) . . ?
O3S C12S H12A 114.0 . . ?
O3S C12S H12B 114.0 . . ?
C11S C12S H12A 114.0 . . ?
C11S C12S H12B 114.0 . . ?
H12A C12S H12B 111.2 . . ?
O4S C13S H13A 112.4 . . ?
O4S C13S H13B 112.4 . . ?
O4S C13S C14S 97(3) . . ?
H13A C13S H13B 110.0 . . ?
C14S C13S H13A 112.4 . . ?
C14S C13S H13B 112.4 . . ?
C13S C14S H14A 111.6 . . ?
C13S C14S H14B 111.6 . . ?
H14A C14S H14B 109.4 . . ?
C15S C14S C13S 101(4) . . ?
C15S C14S H14A 111.6 . . ?
C15S C14S H14B 111.6 . . ?
C14S C15S H15A 108.3 . . ?
C14S C15S H15B 108.3 . . ?
H15A C15S H15B 107.4 . . ?
C16S C15S C14S 116(5) . . ?
C16S C15S H15A 108.3 . . ?
C16S C15S H15B 108.3 . . ?
O4S C16S H16A 111.7 . . ?
O4S C16S H16B 111.7 . . ?
C15S C16S O4S 100(4) . . ?
C15S C16S H16A 111.7 . . ?
C15S C16S H16B 111.7 . . ?
H16A C16S H16B 109.5 . . ?
O5S C17S H17A 110.0 . . ?
O5S C17S H17B 110.0 . . ?
H17A C17S H17B 108.4 . . ?
C18S C17S O5S 108.3(12) . . ?
C18S C17S H17A 110.0 . . ?
C18S C17S H17B 110.0 . . ?
C17S C18S H18A 110.3 . . ?
C17S C18S H18B 110.3 . . ?
C17S C18S C19S 107.3(16) . . ?
H18A C18S H18B 108.5 . . ?
C19S C18S H18A 110.3 . . ?
C19S C18S H18B 110.3 . . ?
C18S C19S H19A 111.1 . . ?
C18S C19S H19B 111.1 . . ?
C18S C19S C20S 103.4(16) . . ?
H19A C19S H19B 109.1 . . ?
C20S C19S H19A 111.1 . . ?
C20S C19S H19B 111.1 . . ?
O5S C20S C19S 103.3(14) . . ?
O5S C20S H20A 111.1 . . ?
O5S C20S H20B 111.1 . . ?
C19S C20S H20A 111.1 . . ?
C19S C20S H20B 111.1 . . ?
H20A C20S H20B 109.1 . . ?
O1S C1S H1SC 110.1 . . ?
O1S C1S H1SD 110.1 . . ?
H1SC C1S H1SD 108.5 . . ?
C2S C1S O1S 107.8(10) . . ?
C2S C1S H1SC 110.1 . . ?
C2S C1S H1SD 110.1 . . ?
C1S C2S H2SC 110.4 . . ?
C1S C2S H2SD 110.4 . . ?
H2SC C2S H2SD 108.6 . . ?
C3S C2S C1S 106.5(13) . . ?
C3S C2S H2SC 110.4 . . ?
C3S C2S H2SD 110.4 . . ?
C2S C3S H3SC 108.4 . . ?
C2S C3S H3SD 108.4 . . ?
C2S C3S C4S 115.4(15) . . ?
H3SC C3S H3SD 107.5 . . ?
C4S C3S H3SC 108.4 . . ?
C4S C3S H3SD 108.4 . . ?
O1S C4S H4SC 110.8 . . ?
O1S C4S H4SD 110.8 . . ?
C3S C4S O1S 104.6(12) . . ?
C3S C4S H4SC 110.8 . . ?
C3S C4S H4SD 110.8 . . ?
H4SC C4S H4SD 108.9 . . ?
O2S C5S' H5SC 109.2 . . ?
O2S C5S' H5SD 109.2 . . ?
H5SC C5S' H5SD 107.9 . . ?
C6S' C5S' O2S 112.0(16) . . ?
C6S' C5S' H5SC 109.2 . . ?
C6S' C5S' H5SD 109.2 . . ?
C7S C6S' H6SC 109.5 . . ?
C7S C6S' H6SD 109.5 . . ?
C5S' C6S' C7S 110.7(16) . . ?
C5S' C6S' H6SC 109.5 . . ?
C5S' C6S' H6SD 109.5 . . ?
H6SC C6S' H6SD 108.1 . . ?
O3S C9S' H9SC 110.4 . . ?
O3S C9S' H9SD 110.4 . . ?
O3S C9S' C10X 106.8(9) . . ?
H9SC C9S' H9SD 108.6 . . ?
C10X C9S' H9SC 110.4 . . ?
C10X C9S' H9SD 110.4 . . ?
C9S' C10X H10C 110.6 . . ?
C9S' C10X H10D 110.6 . . ?
H10C C10X H10D 108.7 . . ?
C11X C10X C9S' 105.9(10) . . ?
C11X C10X H10C 110.6 . . ?
C11X C10X H10D 110.6 . . ?
C10X C11X H11C 110.6 . . ?
C10X C11X H11D 110.6 . . ?
C10X C11X C12X 105.8(11) . . ?
H11C C11X H11D 108.7 . . ?
C12X C11X H11C 110.6 . . ?
C12X C11X H11D 110.6 . . ?
O3S C12X C11X 107.6(11) . . ?
O3S C12X H12C 110.2 . . ?
O3S C12X H12D 110.2 . . ?
C11X C12X H12C 110.2 . . ?
C11X C12X H12D 110.2 . . ?
H12C C12X H12D 108.5 . . ?
O4S C13X H13C 110.8 . . ?
O4S C13X H13D 110.8 . . ?
O4S C13X C14X 104.6(9) . . ?
H13C C13X H13D 108.9 . . ?
C14X C13X H13C 110.8 . . ?
C14X C13X H13D 110.8 . . ?
C13X C14X H14C 111.2 . . ?
C13X C14X H14D 111.2 . . ?
H14C C14X H14D 109.1 . . ?
C15X C14X C13X 102.7(11) . . ?
C15X C14X H14C 111.2 . . ?
C15X C14X H14D 111.2 . . ?
C14X C15X H15C 110.0 . . ?
C14X C15X H15D 110.0 . . ?
C14X C15X C16X 108.6(12) . . ?
H15C C15X H15D 108.4 . . ?
C16X C15X H15C 110.0 . . ?
C16X C15X H15D 110.0 . . ?
O4S C16X C15X 106.7(10) . . ?
O4S C16X H16C 110.4 . . ?
O4S C16X H16D 110.4 . . ?
C15X C16X H16C 110.4 . . ?
C15X C16X H16D 110.4 . . ?
H16C C16X H16D 108.6 . . ?
O5S C17X H17C 110.3 . . ?
O5S C17X H17D 110.3 . . ?
H17C C17X H17D 108.5 . . ?
C18X C17X O5S 107(2) . . ?
C18X C17X H17C 110.3 . . ?
C18X C17X H17D 110.3 . . ?
C17X C18X H18C 110.0 . . ?
C17X C18X H18D 110.0 . . ?
C17X C18X C19X 109(3) . . ?
H18C C18X H18D 108.3 . . ?
C19X C18X H18C 110.0 . . ?
C19X C18X H18D 110.0 . . ?
C18X C19X H19C 110.3 . . ?
C18X C19X H19D 110.3 . . ?
H19C C19X H19D 108.5 . . ?
C20X C19X C18X 107(3) . . ?
C20X C19X H19C 110.3 . . ?
C20X C19X H19D 110.3 . . ?
O5S C20X H20C 110.7 . . ?
O5S C20X H20D 110.7 . . ?
C19X C20X O5S 105(3) . . ?
C19X C20X H20C 110.7 . . ?
C19X C20X H20D 110.7 . . ?
H20C C20X H20D 108.8 . . ?
C21S O6S C24S 106.6(8) . . ?
O6S C21S H21A 109.7 . . ?
O6S C21S H21B 109.7 . . ?
O6S C21S C22S 109.9(10) . . ?
H21A C21S H21B 108.2 . . ?
C22S C21S H21A 109.7 . . ?
C22S C21S H21B 109.7 . . ?
C21S C22S H22A 110.2 . . ?
C21S C22S H22B 110.2 . . ?
C21S C22S C23S 107.5(10) . . ?
H22A C22S H22B 108.5 . . ?
C23S C22S H22A 110.2 . . ?
C23S C22S H22B 110.2 . . ?
C22S C23S H23A 111.2 . . ?
C22S C23S H23B 111.2 . . ?
C22S C23S C24S 102.8(9) . . ?
H23A C23S H23B 109.1 . . ?
C24S C23S H23A 111.2 . . ?
C24S C23S H23B 111.2 . . ?
O6S C24S C23S 107.7(9) . . ?
O6S C24S H24A 110.2 . . ?
O6S C24S H24B 110.2 . . ?
C23S C24S H24A 110.2 . . ?
C23S C24S H24B 110.2 . . ?
H24A C24S H24B 108.5 . . ?
C26 C25 C30 115.1(8) . . ?
C26 C25 B1 124.9(8) . . ?
C30 C25 B1 120.0(8) . . ?
C25 C26 H26 118.6 . . ?
C25 C26 C27 122.9(9) . . ?
C27 C26 H26 118.6 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.6(9) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.3(9) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.5(10) . . ?
C30 C29 H29 119.7 . . ?
C25 C30 H30 118.7 . . ?
C29 C30 C25 122.6(9) . . ?
C29 C30 H30 118.7 . . ?
C32 C31 B1 120.5(8) . . ?
C36 C31 C32 113.7(8) . . ?
C36 C31 B1 125.8(8) . . ?
C31 C32 H32 118.4 . . ?
C33 C32 C31 123.1(9) . . ?
C33 C32 H32 118.4 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0(9) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.7 . . ?
C35 C34 C33 118.6(9) . . ?
C35 C34 H34 120.7 . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.2(9) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 124.4(9) . . ?
C31 C36 H36 117.8 . . ?
C35 C36 H36 117.8 . . ?
C38 C37 C42 113.5(8) . . ?
C38 C37 B1 126.6(7) . . ?
C42 C37 B1 119.8(8) . . ?
C37 C38 H38 117.7 . . ?
C39 C38 C37 124.6(8) . . ?
C39 C38 H38 117.7 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.1(8) . . ?
C40 C39 H39 119.9 . . ?
C39 C40 H40 120.9 . . ?
C39 C40 C41 118.1(8) . . ?
C41 C40 H40 120.9 . . ?
C40 C41 H41 119.6 . . ?
C42 C41 C40 120.8(8) . . ?
C42 C41 H41 119.6 . . ?
C37 C42 H42 118.6 . . ?
C41 C42 C37 122.8(9) . . ?
C41 C42 H42 118.6 . . ?
C44 C43 C48 115.2(8) . . ?
C44 C43 B1 126.5(8) . . ?
C48 C43 B1 118.1(7) . . ?
C43 C44 H44 117.9 . . ?
C45 C44 C43 124.2(10) . . ?
C45 C44 H44 117.9 . . ?
C44 C45 H45 119.4 . . ?
C46 C45 C44 121.2(11) . . ?
C46 C45 H45 119.4 . . ?
C45 C46 H46 120.9 . . ?
C45 C46 C47 118.2(9) . . ?
C47 C46 H46 120.9 . . ?
C46 C47 H47 119.5 . . ?
C46 C47 C48 121.0(9) . . ?
C48 C47 H47 119.5 . . ?
C47 C48 C43 120.1(9) . . ?
C25 B1 C31 110.6(7) . . ?
C25 B1 C37 110.0(6) . . ?
C25 B1 C43 109.9(7) . . ?
C37 B1 C31 110.2(7) . . ?
C37 B1 C43 109.4(7) . . ?
C43 B1 C31 106.8(6) . . ?
C28X O6X C25X 107.8(17) . . ?
O6X C25X H25A 109.6 . . ?
O6X C25X H25B 109.6 . . ?
H25A C25X H25B 108.1 . . ?
C26X C25X O6X 110(2) . . ?
C26X C25X H25A 109.6 . . ?
C26X C25X H25B 109.6 . . ?
C25X C26X H26A 109.2 . . ?
C25X C26X H26B 109.2 . . ?
C25X C26X C27X 112(2) . . ?
H26A C26X H26B 107.9 . . ?
C27X C26X H26A 109.2 . . ?
C27X C26X H26B 109.2 . . ?
C26X C27X H27A 111.1 . . ?
C26X C27X H27B 111.1 . . ?
C26X C27X C28X 103.4(17) . . ?
H27A C27X H27B 109.0 . . ?
C28X C27X H27A 111.1 . . ?
C28X C27X H27B 111.1 . . ?
O6X C28X C27X 102.0(14) . . ?
O6X C28X H28A 111.4 . . ?
O6X C28X H28B 111.4 . . ?
C27X C28X H28A 111.4 . . ?
C27X C28X H28B 111.4 . . ?
H28A C28X H28B 109.2 . . ?
C53 O7S C54 110.3(16) . 3_765 ?
O7S C53 H53A 109.0 . . ?
O7S C53 H53B 109.0 . . ?
O7S C53 C54 112.8(15) . . ?
H53A C53 H53B 107.8 . . ?
C54 C53 H53A 109.0 . . ?
C54 C53 H53B 109.0 . . ?
O7S C54 C53 118.1(12) 3_765 . ?
O7S C54 H54A 107.8 3_765 . ?
O7S C54 H54B 107.8 3_765 . ?
C53 C54 H54A 107.8 . . ?
C53 C54 H54B 107.8 . . ?
H54A C54 H54B 107.1 . . ?
C25S O6S' C28S 118(3) . . ?
O6S' C25S H25C 109.4 . . ?
O6S' C25S H25D 109.4 . . ?
O6S' C25S C26S 111(3) . . ?
H25C C25S H25D 108.0 . . ?
C26S C25S H25C 109.4 . . ?
C26S C25S H25D 109.4 . . ?
C25S C26S H26C 110.1 . . ?
C25S C26S H26D 110.1 . . ?
H26C C26S H26D 108.4 . . ?
C27S C26S C25S 108(3) . . ?
C27S C26S H26C 110.1 . . ?
C27S C26S H26D 110.1 . . ?
C26S C27S H27C 112.1 . . ?
C26S C27S H27D 112.1 . . ?
C26S C27S C28S 98(2) . . ?
H27C C27S H27D 109.8 . . ?
C28S C27S H27C 112.1 . . ?
C28S C27S H27D 112.1 . . ?
O6S' C28S C27S 96.4(18) . . ?
O6S' C28S H28C 112.5 . . ?
O6S' C28S H28D 112.5 . . ?
C27S C28S H28C 112.5 . . ?
C27S C28S H28D 112.5 . . ?
H28C C28S H28D 110.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 C2 95.5(16) . . . . ?
Dy1 O1 C1 C6 -82.6(17) . . . . ?
Dy1 O1S C1S' C2S' 153.4(14) . . . . ?
Dy1 O1S C4S' C3S' -155.8(16) . . . . ?
Dy1 O1S C1S C2S 177.1(8) . . . . ?
Dy1 O1S C4S C3S -177.6(8) . . . . ?
Dy1 O2 C13 C14 -32(2) . . . . ?
Dy1 O2 C13 C18 149.8(17) . . . . ?
Dy1 O2S C8S C7S 174.8(6) . . . . ?
Dy1 O2S C5S C6S -175.8(13) . . . . ?
Dy1 O2S C5S' C6S' -175.1(15) . . . . ?
Dy1 O3S C9S C10S -157(3) . . . . ?
Dy1 O3S C12S C11S 144(3) . . . . ?
Dy1 O3S C9S' C10X 175.6(7) . . . . ?
Dy1 O3S C12X C11X 169.7(9) . . . . ?
Dy1 O4S C13S C14S -132(2) . . . . ?
Dy1 O4S C16S C15S 139(3) . . . . ?
Dy1 O4S C13X C14X -144.9(7) . . . . ?
Dy1 O4S C16X C15X 159.8(9) . . . . ?
Dy1 O5S C17S C18S 178.1(9) . . . . ?
Dy1 O5S C20S C19S -160.7(12) . . . . ?
Dy1 O5S C17X C18X -172.5(15) . . . . ?
Dy1 O5S C20X C19X 166(2) . . . . ?
F1 C2 C3 F2 -1.9(10) . . . . ?
F1 C2 C3 C4 -179.5(6) . . . . ?
F2 C3 C4 C5 -177.2(6) . . . . ?
F2 C3 C4 C7 2.8(10) . . . . ?
F3 C5 C6 F4 -1.2(11) . . . . ?
F3 C5 C6 C1 -179.7(7) . . . . ?
F5 C8 C9 F6 -0.5(11) . . . . ?
F5 C8 C9 C10 176.9(7) . . . . ?
F6 C9 C10 F7 -2.5(12) . . . . ?
F6 C9 C10 C11 178.3(7) . . . . ?
F7 C10 C11 F8 -0.9(13) . . . . ?
F7 C10 C11 C12 -178.3(7) . . . . ?
F8 C11 C12 F9 0.1(11) . . . . ?
F8 C11 C12 C7 -179.1(7) . . . . ?
F10 C14 C15 F11 1.0(10) . . . . ?
F10 C14 C15 C16 -179.1(7) . . . . ?
F11 C15 C16 C17 -178.6(6) . . . . ?
F11 C15 C16 C19 2.2(11) . . . . ?
F12 C17 C18 F13 0.2(10) . . . . ?
F12 C17 C18 C13 178.5(6) . . . . ?
F14 C20 C21 F15 0.4(13) . . . . ?
F14 C20 C21 C22 -178.5(8) . . . . ?
F15 C21 C22 F16 -0.6(14) . . . . ?
F15 C21 C22 C23 -179.7(8) . . . . ?
F16 C22 C23 F17 0.2(13) . . . . ?
F16 C22 C23 C24 -178.7(7) . . . . ?
F17 C23 C24 F18 -1.4(11) . . . . ?
F17 C23 C24 C19 -178.1(7) . . . . ?
O1 C1 C2 F1 2.3(11) . . . . ?
O1 C1 C2 C3 -177.3(7) . . . . ?
O1 C1 C6 F4 -2.8(11) . . . . ?
O1 C1 C6 C5 175.8(7) . . . . ?
O1S C1S' C2S' C3S' -9(4) . . . . ?
O1S C1S C2S C3S 9.5(18) . . . . ?
O2 C13 C14 F10 -1.5(10) . . . . ?
O2 C13 C14 C15 178.1(7) . . . . ?
O2 C13 C18 F13 -0.4(10) . . . . ?
O2 C13 C18 C17 -178.6(6) . . . . ?
O2S C5S C6S C7S -6(2) . . . . ?
O2S C5S' C6S' C7S 6(2) . . . . ?
O3S C9S C10S C11S 15(7) . . . . ?
O3S C9S' C10X C11X 17.9(14) . . . . ?
O4S C13S C14S C15S -28(4) . . . . ?
O4S C13X C14X C15X -33.6(13) . . . . ?
O5S C17S C18S C19S -13.1(18) . . . . ?
O5S C17X C18X C19X 6(3) . . . . ?
C1 C2 C3 F2 177.7(6) . . . . ?
C1 C2 C3 C4 0.1(11) . . . . ?
C2 C1 C6 F4 179.0(6) . . . . ?
C2 C1 C6 C5 -2.4(11) . . . . ?
C2 C3 C4 C5 0.4(10) . . . . ?
C2 C3 C4 C7 -179.6(7) . . . . ?
C3 C4 C5 F3 -179.1(6) . . . . ?
C3 C4 C5 C6 -2.0(11) . . . . ?
C3 C4 C7 C8 53.9(10) . . . . ?
C3 C4 C7 C12 -126.8(8) . . . . ?
C4 C5 C6 F4 -178.3(6) . . . . ?
C4 C5 C6 C1 3.2(12) . . . . ?
C4 C7 C8 F5 1.8(11) . . . . ?
C4 C7 C8 C9 -179.3(7) . . . . ?
C4 C7 C12 F9 2.0(10) . . . . ?
C4 C7 C12 C11 -178.8(7) . . . . ?
C5 C4 C7 C8 -126.1(8) . . . . ?
C5 C4 C7 C12 53.2(10) . . . . ?
C6 C1 C2 F1 -179.5(6) . . . . ?
C6 C1 C2 C3 0.8(11) . . . . ?
C7 C4 C5 F3 0.9(10) . . . . ?
C7 C4 C5 C6 178.0(7) . . . . ?
C7 C8 C9 F6 -179.4(7) . . . . ?
C7 C8 C9 C10 -2.0(12) . . . . ?
C8 C7 C12 F9 -178.7(6) . . . . ?
C8 C7 C12 C11 0.5(11) . . . . ?
C8 C9 C10 F7 -179.9(7) . . . . ?
C8 C9 C10 C11 0.8(13) . . . . ?
C8S O2S C5S C6S 15.6(19) . . . . ?
C8S O2S C5S' C6S' -16(2) . . . . ?
C8S C7S C6S C5S -5(2) . . . . ?
C8S C7S C6S' C5S' 7(2) . . . . ?
C9 C10 C11 F8 178.4(7) . . . . ?
C9 C10 C11 C12 1.0(13) . . . . ?
C10 C11 C12 F9 177.6(7) . . . . ?
C10 C11 C12 C7 -1.6(12) . . . . ?
C12 C7 C8 F5 -177.5(6) . . . . ?
C12 C7 C8 C9 1.3(11) . . . . ?
C13 C14 C15 F11 -178.5(7) . . . . ?
C13 C14 C15 C16 1.3(12) . . . . ?
C14 C13 C18 F13 -178.7(6) . . . . ?
C14 C13 C18 C17 3.1(10) . . . . ?
C14 C15 C16 C17 1.6(11) . . . . ?
C14 C15 C16 C19 -177.6(7) . . . . ?
C15 C16 C17 F12 179.2(6) . . . . ?
C15 C16 C17 C18 -2.1(11) . . . . ?
C15 C16 C19 C20 62.6(10) . . . . ?
C15 C16 C19 C24 -115.0(9) . . . . ?
C16 C17 C18 F13 -178.5(6) . . . . ?
C16 C17 C18 C13 -0.3(11) . . . . ?
C16 C19 C20 F14 1.8(12) . . . . ?
C16 C19 C20 C21 -176.7(8) . . . . ?
C16 C19 C24 F18 -0.4(11) . . . . ?
C16 C19 C24 C23 176.2(7) . . . . ?
C17 C16 C19 C20 -116.5(9) . . . . ?
C17 C16 C19 C24 65.9(10) . . . . ?
C18 C13 C14 F10 176.9(6) . . . . ?
C18 C13 C14 C15 -3.5(11) . . . . ?
C19 C16 C17 F12 -1.7(11) . . . . ?
C19 C16 C17 C18 177.1(7) . . . . ?
C19 C20 C21 F15 179.0(8) . . . . ?
C19 C20 C21 C22 0.1(14) . . . . ?
C20 C19 C24 F18 -178.2(7) . . . . ?
C20 C19 C24 C23 -1.5(12) . . . . ?
C20 C21 C22 F16 178.3(8) . . . . ?
C20 C21 C22 C23 -0.8(15) . . . . ?
C21 C22 C23 F17 179.4(8) . . . . ?
C21 C22 C23 C24 0.4(14) . . . . ?
C22 C23 C24 F18 177.5(7) . . . . ?
C22 C23 C24 C19 0.9(13) . . . . ?
C24 C19 C20 F14 179.6(7) . . . . ?
C24 C19 C20 C21 1.1(12) . . . . ?
C1S' O1S C4S' C3S' -18(2) . . . . ?
C1S' C2S' C3S' C4S' -3(4) . . . . ?
C2S' C3S' C4S' O1S 14(4) . . . . ?
C4S' O1S C1S' C2S' 16(2) . . . . ?
C5S O2S C8S C7S -18.5(13) . . . . ?
C6S C7S C8S O2S 14.7(14) . . . . ?
C9S O3S C12S C11S -30(4) . . . . ?
C9S C10S C11S C12S -36(7) . . . . ?
C10S C11S C12S O3S 39(5) . . . . ?
C12S O3S C9S C10S 17(5) . . . . ?
C13S O4S C16S C15S -31(5) . . . . ?
C13S C14S C15S C16S 14(7) . . . . ?
C14S C15S C16S O4S 9(7) . . . . ?
C16S O4S C13S C14S 38(4) . . . . ?
C17S O5S C20S C19S 26.3(16) . . . . ?
C17S C18S C19S C20S 29(2) . . . . ?
C18S C19S C20S O5S -34.0(19) . . . . ?
C20S O5S C17S C18S -9.2(15) . . . . ?
C1S O1S C4S C3S 11.9(13) . . . . ?
C1S C2S C3S C4S -2(2) . . . . ?
C2S C3S C4S O1S -7(2) . . . . ?
C4S O1S C1S C2S -13.4(13) . . . . ?
C5S' O2S C8S C7S 20.2(13) . . . . ?
C6S' C7S C8S O2S -16.8(14) . . . . ?
C9S' O3S C12X C11X -9.9(13) . . . . ?
C9S' C10X C11X C12X -23.6(15) . . . . ?
C10X C11X C12X O3S 21.1(15) . . . . ?
C12X O3S C9S' C10X -4.8(12) . . . . ?
C13X O4S C16X C15X -14.5(14) . . . . ?
C13X C14X C15X C16X 24.8(17) . . . . ?
C14X C15X C16X O4S -7.6(18) . . . . ?
C16X O4S C13X C14X 29.4(11) . . . . ?
C17X O5S C20X C19X -5(3) . . . . ?
C17X C18X C19X C20X -10(4) . . . . ?
C18X C19X C20X O5S 9(4) . . . . ?
C20X O5S C17X C18X -1(3) . . . . ?
O6S C21S C22S C23S -10.5(17) . . . . ?
C21S O6S C24S C23S -23.8(13) . . . . ?
C21S C22S C23S C24S -4.0(16) . . . . ?
C22S C23S C24S O6S 16.9(14) . . . . ?
C24S O6S C21S C22S 21.5(15) . . . . ?
C25 C26 C27 C28 1.3(13) . . . . ?
C26 C25 C30 C29 -2.1(12) . . . . ?
C26 C25 B1 C31 111.9(8) . . . . ?
C26 C25 B1 C37 -126.3(8) . . . . ?
C26 C25 B1 C43 -5.8(11) . . . . ?
C26 C27 C28 C29 -3.0(13) . . . . ?
C27 C28 C29 C30 2.1(14) . . . . ?
C28 C29 C30 C25 0.5(14) . . . . ?
C30 C25 C26 C27 1.2(12) . . . . ?
C30 C25 B1 C31 -65.7(9) . . . . ?
C30 C25 B1 C37 56.1(10) . . . . ?
C30 C25 B1 C43 176.6(7) . . . . ?
C31 C32 C33 C34 0.6(13) . . . . ?
C32 C31 C36 C35 -0.4(12) . . . . ?
C32 C31 B1 C25 -171.3(7) . . . . ?
C32 C31 B1 C37 67.0(9) . . . . ?
C32 C31 B1 C43 -51.8(10) . . . . ?
C32 C33 C34 C35 -0.8(13) . . . . ?
C33 C34 C35 C36 0.4(13) . . . . ?
C34 C35 C36 C31 0.2(13) . . . . ?
C36 C31 C32 C33 0.0(12) . . . . ?
C36 C31 B1 C25 10.0(11) . . . . ?
C36 C31 B1 C37 -111.7(9) . . . . ?
C36 C31 B1 C43 129.5(8) . . . . ?
C37 C38 C39 C40 1.3(12) . . . . ?
C38 C37 C42 C41 -2.2(12) . . . . ?
C38 C37 B1 C25 -132.0(8) . . . . ?
C38 C37 B1 C31 -9.9(11) . . . . ?
C38 C37 B1 C43 107.2(8) . . . . ?
C38 C39 C40 C41 -3.1(12) . . . . ?
C39 C40 C41 C42 2.3(13) . . . . ?
C40 C41 C42 C37 0.4(13) . . . . ?
C42 C37 C38 C39 1.4(11) . . . . ?
C42 C37 B1 C25 50.0(10) . . . . ?
C42 C37 B1 C31 172.1(7) . . . . ?
C42 C37 B1 C43 -70.8(9) . . . . ?
C43 C44 C45 C46 -2.1(16) . . . . ?
C44 C43 C48 C47 -0.1(12) . . . . ?
C44 C43 B1 C25 -102.9(10) . . . . ?
C44 C43 B1 C31 137.1(9) . . . . ?
C44 C43 B1 C37 17.9(11) . . . . ?
C44 C45 C46 C47 2.4(15) . . . . ?
C45 C46 C47 C48 -1.7(15) . . . . ?
C46 C47 C48 C43 0.6(14) . . . . ?
C48 C43 C44 C45 0.9(13) . . . . ?
C48 C43 B1 C25 72.1(9) . . . . ?
C48 C43 B1 C31 -47.8(10) . . . . ?
C48 C43 B1 C37 -167.1(7) . . . . ?
B1 C25 C26 C27 -176.5(7) . . . . ?
B1 C25 C30 C29 175.7(8) . . . . ?
B1 C31 C32 C33 -178.9(8) . . . . ?
B1 C31 C36 C35 178.4(8) . . . . ?
B1 C37 C38 C39 -176.8(7) . . . . ?
B1 C37 C42 C41 176.1(8) . . . . ?
B1 C43 C44 C45 176.1(9) . . . . ?
B1 C43 C48 C47 -175.7(8) . . . . ?
O6X C25X C26X C27X 17(4) . . . . ?
C25X O6X C28X C27X 18(2) . . . . ?
C25X C26X C27X C28X -5(3) . . . . ?
C26X C27X C28X O6X -9(2) . . . . ?
C28X O6X C25X C26X -23(3) . . . . ?
O7S C53 C54 O7S -49(2) . . . 3_765 ?
C54 O7S C53 C54 46(2) 3_765 . . . ?
O6S' C25S C26S C27S 24(6) . . . . ?
C25S O6S' C28S C27S -13(5) . . . . ?
C25S C26S C27S C28S -29(4) . . . . ?
C26S C27S C28S O6S' 24(3) . . . . ?
C28S O6S' C25S C26S -4(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
