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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2070667'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-04-30 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         ?
_chemical_formula_sum            'C84 H85 N Nd O8'
_chemical_formula_weight         1380.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   16.8532(2)
_cell_length_b                   24.8715(4)
_cell_length_c                   19.1332(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.8288(15)
_cell_angle_gamma                90
_cell_volume                     7715.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    14338
_cell_measurement_theta_min      3.7340
_cell_measurement_theta_max      123.7340

_exptl_crystal_description       block
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_F_000             2880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    0.726
_shelx_estimated_absorpt_T_min   0.868
_shelx_estimated_absorpt_T_max   0.893
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69695
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.843
_diffrn_reflns_theta_max         29.525
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             19261
_reflns_number_gt                11194
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0806P)²+5.9615P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19261
_refine_ls_number_parameters     827
_refine_ls_number_restraints     65
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.1835
_refine_ls_wR_factor_gt          0.1454
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001

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
C83 C 0.7280(7) 1.0181(4) 0.2938(5) 0.166(4) Uani 1 1 d . . . . .
H83 H 0.763707 1.046396 0.292562 0.199 Uiso 1 1 calc R U . . .
C1 C 0.5418(3) 0.6786(2) 0.0962(2) 0.0736(13) Uani 1 1 d . . . . .
C2 C 0.5994(3) 0.64862(19) 0.2983(2) 0.0669(11) Uani 1 1 d . . . . .
C3 C 0.3024(3) 0.7423(2) 0.2108(2) 0.0689(12) Uani 1 1 d . . . . .
C4 C 0.8292(3) 0.7355(2) 0.5029(3) 0.0865(16) Uani 1 1 d . . . . .
H4A H 0.885146 0.748638 0.521854 0.104 Uiso 1 1 calc R U . . .
H4B H 0.811153 0.722156 0.543668 0.104 Uiso 1 1 calc R U . . .
C5 C 0.3244(3) 0.8354(2) 0.1754(2) 0.0692(12) Uani 1 1 d . . . . .
C6 C 0.6654(9) 1.0260(4) 0.3241(6) 0.204(6) Uani 1 1 d . . . . .
H6A H 0.656776 1.059723 0.341690 0.245 Uiso 1 1 calc R U . . .
C7 C 0.4766(3) 0.8411(2) 0.3651(2) 0.0703(12) Uani 1 1 d . . . . .
C8 C 0.5720(3) 0.8851(2) 0.3061(2) 0.0695(11) Uani 1 1 d . U . . .
C9 C 0.2053(3) 0.8975(3) 0.1203(4) 0.1054(19) Uani 1 1 d . . . . .
H9A H 0.168921 0.869000 0.117580 0.127 Uiso 1 1 calc R U . . .
C10 C 0.4525(4) 0.8770(3) 0.4804(3) 0.111(2) Uani 1 1 d . . . . .
H10A H 0.499727 0.897999 0.487649 0.133 Uiso 1 1 calc R U . . .
C11 C 0.4283(3) 0.8448(2) 0.4199(3) 0.0842(15) Uani 1 1 d . . . . .
C12 C 0.6941(2) 0.7040(2) 0.2510(2) 0.0643(11) Uani 1 1 d . . . . .
C13 C 0.2448(3) 0.6996(3) 0.2254(3) 0.0862(16) Uani 1 1 d . . . . .
C14 C 0.7874(3) 0.8261(3) 0.5271(3) 0.0922(16) Uani 1 1 d . . . . .
H14A H 0.772047 0.811556 0.568641 0.111 Uiso 1 1 calc R U . . .
H14B H 0.845775 0.834485 0.542897 0.111 Uiso 1 1 calc R U . . .
C15 C 0.2733(4) 0.6539(3) 0.2561(3) 0.0992(17) Uani 1 1 d . . . . .
H15A H 0.330155 0.649197 0.270978 0.119 Uiso 1 1 calc R U . . .
C16 C 0.6845(3) 0.7651(2) 0.4434(3) 0.0848(15) Uani 1 1 d . . . . .
H16A H 0.680990 0.734588 0.411095 0.102 Uiso 1 1 calc R U . . .
H16B H 0.652611 0.794095 0.415208 0.102 Uiso 1 1 calc R U . . .
C17 C 0.5721(3) 0.7710(2) 0.0708(3) 0.0782(14) Uani 1 1 d . . . . .
C18 C 0.3582(4) 0.8141(3) 0.4108(3) 0.109(2) Uani 1 1 d . . . . .
H18A H 0.341154 0.791737 0.370540 0.130 Uiso 1 1 calc R U . . .
C19 C 0.6706(3) 0.6559(2) 0.2761(2) 0.0680(11) Uani 1 1 d . . . . .
H19A H 0.705015 0.626306 0.278169 0.082 Uiso 1 1 calc R U . . .
C20 C 0.1742(4) 0.9473(3) 0.0933(5) 0.148(3) Uani 1 1 d . . . . .
H20A H 0.118009 0.951889 0.072181 0.177 Uiso 1 1 calc R U . . .
C21 C 0.7962(3) 0.8032(3) 0.4011(3) 0.0902(16) Uani 1 1 d . . . . .
H21A H 0.786920 0.774280 0.365787 0.108 Uiso 1 1 calc R U . . .
H21B H 0.758755 0.832160 0.380139 0.108 Uiso 1 1 calc R U . . .
C22 C 0.6374(4) 0.5565(3) 0.3526(5) 0.131(3) Uani 1 1 d . . . . .
H22A H 0.693018 0.563576 0.358455 0.157 Uiso 1 1 calc R U . . .
C23 C 0.2755(3) 0.7952(2) 0.1944(2) 0.0740(12) Uani 1 1 d . . . . .
H23A H 0.222575 0.804222 0.196228 0.089 Uiso 1 1 calc R U . . .
C24 C 0.6913(7) 0.8700(5) -0.0400(6) 0.189(4) Uiso 1 1 d . . . . .
H24A H 0.728193 0.888158 -0.059885 0.226 Uiso 1 1 calc R U . . .
C25 C 0.5219(3) 0.8848(2) 0.3536(3) 0.0804(13) Uani 1 1 d . . . . .
H25A H 0.518932 0.916206 0.379161 0.096 Uiso 1 1 calc R U . . .
C26 C 0.2874(3) 0.8891(2) 0.1506(3) 0.0767(13) Uani 1 1 d . . . . .
C27 C 0.5785(3) 0.7164(3) 0.0627(3) 0.0815(14) Uani 1 1 d . . . . .
H27A H 0.609624 0.704205 0.032551 0.098 Uiso 1 1 calc R U . . .
C28 C 0.2265(5) 0.9890(3) 0.0981(6) 0.149(3) Uani 1 1 d . . . . .
H28A H 0.205991 1.022615 0.080885 0.179 Uiso 1 1 calc R U . . .
C29 C 0.6834(7) 0.8937(5) 0.0220(6) 0.197(4) Uiso 1 1 d . . . . .
H29A H 0.704207 0.927342 0.038614 0.236 Uiso 1 1 calc R U . . .
C30 C 0.8745(4) 0.6435(3) 0.4849(4) 0.117(2) Uani 1 1 d . . . . .
H30A H 0.848989 0.630558 0.521482 0.141 Uiso 1 1 calc R U . . .
H30B H 0.929821 0.654967 0.510298 0.141 Uiso 1 1 calc R U . . .
C31 C 0.5798(3) 0.5946(2) 0.3239(3) 0.0826(14) Uani 1 1 d . . . . .
C32 C 0.5544(3) 0.6189(3) 0.0864(3) 0.0907(16) Uani 1 1 d . . . . .
C33 C 0.3359(6) 0.8473(4) 0.5202(5) 0.145(3) Uani 1 1 d . . . . .
H33A H 0.304875 0.847996 0.553587 0.173 Uiso 1 1 calc R U . . .
C34 C 0.9864(5) 0.8542(4) 0.3478(4) 0.147(3) Uani 1 1 d . . . . .
H34A H 1.003350 0.882893 0.382954 0.176 Uiso 1 1 calc R U . . .
H34B H 1.020143 0.823092 0.366991 0.176 Uiso 1 1 calc R U . . .
C35 C 0.7730(3) 0.7090(2) 0.2288(2) 0.0715(12) Uani 1 1 d . . . . .
C36 C 0.8373(4) 0.6740(3) 0.2510(4) 0.116(2) Uani 1 1 d . . . . .
H36A H 0.832581 0.644422 0.279288 0.139 Uiso 1 1 calc R U . . .
C37 C 0.6241(4) 0.9333(2) 0.3015(3) 0.0858(15) Uani 1 1 d . . . . .
C38 C 0.8996(4) 0.8404(3) 0.3441(3) 0.122(2) Uani 1 1 d . . . . .
H38A H 0.865637 0.871584 0.325987 0.146 Uiso 1 1 calc R U . . .
H38B H 0.882025 0.811888 0.308604 0.146 Uiso 1 1 calc R U . . .
C39 C 1.0067(7) 0.8706(6) 0.2815(6) 0.208(6) Uani 1 1 d . . . . .
H39A H 0.983656 0.844130 0.244380 0.250 Uiso 1 1 calc R U . . .
H39B H 0.978539 0.904326 0.265696 0.250 Uiso 1 1 calc R U . . .
C40 C 0.3097(5) 0.9824(3) 0.1282(5) 0.136(3) Uani 1 1 d . . . . .
H40A H 0.345532 1.011362 0.131570 0.163 Uiso 1 1 calc R U . . .
C41 C 0.6151(7) 0.5439(5) 0.0397(6) 0.166(4) Uani 1 1 d . . . . .
H41A H 0.647094 0.530853 0.010776 0.199 Uiso 1 1 calc R U . . .
C42 C 0.4757(6) 0.5317(4) 0.3338(7) 0.204(6) Uani 1 1 d . . . . .
H42A H 0.420211 0.523257 0.325593 0.245 Uiso 1 1 calc R U . . .
C62 C 0.5701(4) 0.7162(3) 0.4761(3) 0.1048(18) Uani 1 1 d . . . . .
H62B H 0.534733 0.733696 0.433656 0.126 Uiso 1 1 calc R U . . .
H62A H 0.586639 0.681924 0.460388 0.126 Uiso 1 1 calc R U . . .
C43 C 0.7819(3) 0.7517(2) 0.1859(3) 0.0888(15) Uani 1 1 d . . . . .
H43A H 0.738951 0.776213 0.171069 0.107 Uiso 1 1 calc R U . . .
C44 C 0.8537(4) 0.7593(3) 0.1641(4) 0.110(2) Uani 1 1 d . . . . .
H44A H 0.857731 0.787263 0.132982 0.132 Uiso 1 1 calc R U . . .
C45 C 0.6052(5) 0.5991(3) 0.0459(4) 0.128(3) Uani 1 1 d . . . . .
H45A H 0.632535 0.622831 0.022967 0.154 Uiso 1 1 calc R U . . .
C46 C 0.4067(6) 0.8785(4) 0.5310(4) 0.138(3) Uani 1 1 d . . . . .
H46A H 0.423375 0.900233 0.571870 0.165 Uiso 1 1 calc R U . . .
C47 C 0.9171(5) 0.7249(4) 0.1892(5) 0.132(3) Uani 1 1 d . . . . .
H47A H 0.966474 0.730396 0.177381 0.159 Uiso 1 1 calc R U . . .
C48 C 0.3393(4) 0.9326(3) 0.1532(4) 0.1059(19) Uani 1 1 d . . . . .
H48A H 0.395830 0.927929 0.172504 0.127 Uiso 1 1 calc R U . . .
C49 C 0.6244(6) 0.7926(4) -0.0359(5) 0.196(5) Uani 1 1 d . U . . .
H49A H 0.608666 0.757843 -0.051849 0.235 Uiso 1 1 calc R U . . .
C50 C 1.0892(9) 0.8775(8) 0.2837(9) 0.304(9) Uani 1 1 d . . . . .
H50A H 1.093345 0.888328 0.236689 0.456 Uiso 1 1 calc R U . . .
H50B H 1.113112 0.904750 0.318749 0.456 Uiso 1 1 calc R U . . .
H50C H 1.118253 0.844269 0.297332 0.456 Uiso 1 1 calc R U . . .
C51 C 0.8822(7) 0.5976(4) 0.4397(5) 0.188(5) Uani 1 1 d D U . . .
H51A H 0.833816 0.576053 0.438116 0.225 Uiso 1 1 calc R U . . .
H51B H 0.872671 0.612862 0.391466 0.225 Uiso 1 1 calc R U . . .
C52 C 0.5350(7) 0.4955(4) 0.3660(7) 0.183(4) Uani 1 1 d . . . . .
H52A H 0.520365 0.462916 0.382772 0.219 Uiso 1 1 calc R U . . .
C53 C 0.8827(3) 0.8231(3) 0.4126(3) 0.1033(19) Uani 1 1 d . . . . .
H53A H 0.892022 0.853095 0.446219 0.124 Uiso 1 1 calc R U . . .
H53B H 0.920842 0.794665 0.434416 0.124 Uiso 1 1 calc R U . . .
C54 C 0.6867(4) 0.9281(3) 0.2702(4) 0.1061(19) Uani 1 1 d . . . . .
H54A H 0.695012 0.894897 0.250913 0.127 Uiso 1 1 calc R U . . .
C55 C 0.2237(5) 0.6116(3) 0.2679(4) 0.121(2) Uani 1 1 d . . . . .
H55A H 0.248270 0.580112 0.289676 0.146 Uiso 1 1 calc R U . . .
C56 C 0.6131(4) 0.8075(3) 0.0315(4) 0.112(2) Uani 1 1 d . . . . .
C57 C 0.6136(7) 0.9829(3) 0.3290(5) 0.157(4) Uani 1 1 d . U . . .
H57A H 0.571469 0.987972 0.351237 0.189 Uiso 1 1 calc R U . . .
C58 C 0.5780(8) 0.5088(5) 0.0758(7) 0.183(5) Uani 1 1 d . . . . .
H58A H 0.586649 0.471994 0.073241 0.220 Uiso 1 1 calc R U . . .
C59 C 0.9098(4) 0.6824(4) 0.2316(5) 0.149(3) Uani 1 1 d . . . . .
H59A H 0.953680 0.658735 0.247651 0.179 Uiso 1 1 calc R U . . .
C60 C 0.1598(4) 0.6979(4) 0.1914(5) 0.144(3) Uani 1 1 d . . . . .
H60A H 0.134488 0.727250 0.164128 0.172 Uiso 1 1 calc R U . . .
C61 C 0.5167(5) 0.5829(3) 0.1200(4) 0.113(2) Uani 1 1 d . . . . .
H61A H 0.481848 0.595019 0.146846 0.135 Uiso 1 1 calc R U . . .
C63 C 0.6450(4) 0.7496(3) 0.5031(4) 0.118(2) Uani 1 1 d . . . . .
H63A H 0.684781 0.729859 0.540541 0.142 Uiso 1 1 calc R U . . .
H63B H 0.630530 0.781992 0.525027 0.142 Uiso 1 1 calc R U . . .
C64 C 0.7405(4) 0.8778(3) 0.5048(3) 0.1090(19) Uani 1 1 d . . . . .
H64A H 0.681947 0.870085 0.487377 0.131 Uiso 1 1 calc R U . . .
H64B H 0.757802 0.894246 0.465371 0.131 Uiso 1 1 calc R U . . .
C65 C 0.6126(6) 0.5066(4) 0.3732(6) 0.166(4) Uani 1 1 d . . . . .
H65A H 0.652364 0.480779 0.392571 0.200 Uiso 1 1 calc R U . . .
C66 C 0.5298(7) 0.5273(4) 0.1146(6) 0.158(3) Uani 1 1 d . . . . .
H66A H 0.504090 0.503247 0.138628 0.190 Uiso 1 1 calc R U . . .
C67 C 0.4991(5) 0.5808(3) 0.3136(5) 0.145(3) Uani 1 1 d . U . . .
H67A H 0.458478 0.605589 0.292036 0.174 Uiso 1 1 calc R U . . .
C68 C 0.8304(5) 0.6896(3) 0.4529(4) 0.143(3) Uani 1 1 d . . . . .
H68A H 0.773871 0.679044 0.429880 0.172 Uiso 1 1 calc R U . . .
H68B H 0.853924 0.702131 0.414862 0.172 Uiso 1 1 calc R U . . .
C69 C 0.7396(5) 0.9707(4) 0.2657(5) 0.146(3) Uani 1 1 d . . . . .
H69A H 0.781866 0.965969 0.243506 0.175 Uiso 1 1 calc R U . . .
C70 C 0.6357(4) 0.8574(4) 0.0600(5) 0.150(4) Uani 1 1 d . . . . .
H70A H 0.622224 0.868879 0.101634 0.180 Uiso 1 1 calc R U . . .
C71 C 0.5210(5) 0.7055(4) 0.5270(4) 0.147(3) Uani 1 1 d D . . . .
H71A H 0.503248 0.739676 0.541951 0.177 Uiso 1 1 calc R U . . .
H71B H 0.556466 0.688593 0.569935 0.177 Uiso 1 1 calc R U . . .
C72 C 0.4435(8) 0.6694(6) 0.4984(9) 0.253(7) Uani 1 1 d D . . . .
H72A H 0.408121 0.677801 0.529248 0.303 Uiso 1 1 calc R U . . .
H72B H 0.415884 0.683910 0.450886 0.303 Uiso 1 1 calc R U . . .
C73 C 0.4387(16) 0.6180(7) 0.4902(17) 0.48(2) Uiso 1 1 d D . . . .
H73A H 0.381994 0.607664 0.471353 0.724 Uiso 1 1 calc R U . . .
H73B H 0.469228 0.607036 0.456989 0.724 Uiso 1 1 calc R U . . .
H73C H 0.461365 0.600847 0.536366 0.724 Uiso 1 1 calc R U . . .
C74 C 0.7616(14) 1.0096(9) 0.6492(12) 0.371(14) Uani 1 1 d D U . . .
H74A H 0.773972 1.031128 0.692447 0.556 Uiso 1 1 calc R U . . .
H74B H 0.779457 0.973310 0.661470 0.556 Uiso 1 1 calc R U . . .
H74C H 0.789668 1.023950 0.615911 0.556 Uiso 1 1 calc R U . . .
C75 C 0.9397(9) 0.5626(7) 0.4433(9) 0.274(7) Uani 1 1 d D U . . .
H75A H 0.933617 0.537264 0.480010 0.329 Uiso 1 1 calc R U . . .
H75B H 0.990489 0.581923 0.464826 0.329 Uiso 1 1 calc R U . . .
C76 C 0.9587(9) 0.5294(9) 0.3879(8) 0.367(13) Uani 1 1 d . U . . .
H76A H 1.006076 0.507601 0.409313 0.550 Uiso 1 1 calc R U . . .
H76B H 0.912435 0.506645 0.366452 0.550 Uiso 1 1 calc R U . . .
H76C H 0.970122 0.551943 0.351052 0.550 Uiso 1 1 calc R U . . .
C77 C 0.6791(14) 1.0101(10) 0.6177(12) 0.372(14) Uani 1 1 d D U . . .
H77A H 0.656590 1.044692 0.598703 0.446 Uiso 1 1 calc R U . . .
H77B H 0.646104 0.992693 0.645484 0.446 Uiso 1 1 calc R U . . .
C78 C 0.1476(6) 0.6156(6) 0.2496(8) 0.242(8) Uani 1 1 d . . . . .
H78A H 0.115811 0.594072 0.271141 0.291 Uiso 1 1 calc R U . . .
C79 C 0.1113(5) 0.6519(5) 0.1977(6) 0.167(4) Uani 1 1 d . . . . .
H79A H 0.058001 0.647132 0.168092 0.200 Uiso 1 1 calc R U . . .
C80 C 0.3131(5) 0.8162(4) 0.4610(5) 0.139(3) Uani 1 1 d . . . . .
H80A H 0.265580 0.795464 0.453510 0.167 Uiso 1 1 calc R U . . .
C81 C 0.7092(8) 0.9686(5) 0.5556(7) 0.209(5) Uani 1 1 d . U . . .
H81A H 0.658607 0.960687 0.518465 0.251 Uiso 1 1 calc R U . . .
H81B H 0.741036 0.991739 0.532570 0.251 Uiso 1 1 calc R U . . .
C82 C 0.7557(6) 0.9163(4) 0.5682(4) 0.153(3) Uani 1 1 d . . . . .
H82A H 0.742293 0.897981 0.608225 0.183 Uiso 1 1 calc R U . . .
H82B H 0.814202 0.924473 0.583454 0.183 Uiso 1 1 calc R U . . .
C84 C 0.6567(7) 0.8242(5) -0.0812(7) 0.198(4) Uiso 1 1 d . . . . .
H84A H 0.655779 0.816830 -0.129091 0.237 Uiso 1 1 calc R U . . .
O1 O 0.54656(19) 0.68529(14) 0.29718(17) 0.0766(8) Uani 1 1 d . . . . .
O2 O 0.65185(19) 0.74650(14) 0.24383(19) 0.0753(9) Uani 1 1 d . . . . .
O3 O 0.5801(2) 0.84611(14) 0.26701(19) 0.0803(9) Uani 1 1 d . . . . .
O4 O 0.47283(19) 0.79643(14) 0.33215(17) 0.0741(8) Uani 1 1 d . . . . .
O5 O 0.37212(18) 0.72535(13) 0.21184(19) 0.0766(9) Uani 1 1 d . . . . .
O6 O 0.49631(19) 0.69018(13) 0.13712(18) 0.0759(8) Uani 1 1 d . . . . .
O7 O 0.5347(2) 0.79462(13) 0.11293(17) 0.0746(8) Uani 1 1 d . . . . .
O8 O 0.39817(18) 0.82933(13) 0.17489(17) 0.0748(8) Uani 1 1 d . . . . .
Nd1 Nd 0.50580(2) 0.76448(2) 0.22317(2) 0.05916(10) Uani 1 1 d . . . . .
N1 N 0.7739(2) 0.78279(19) 0.4689(2) 0.0795(11) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C83 C69 1.334(13) . ?
C83 C6 1.348(14) . ?
C83 H83 0.9300 . ?
C1 O6 1.269(5) . ?
C1 C27 1.376(7) . ?
C1 C32 1.519(8) . ?
C2 O1 1.271(5) . ?
C2 C19 1.391(6) . ?
C2 C31 1.497(7) . ?
C3 O5 1.243(5) . ?
C3 C23 1.398(7) . ?
C3 C13 1.516(7) . ?
C4 C68 1.494(9) . ?
C4 N1 1.532(7) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O8 1.256(5) . ?
C5 C23 1.405(7) . ?
C5 C26 1.494(7) . ?
C6 C57 1.402(12) . ?
C6 H6A 0.9300 . ?
C7 O4 1.271(6) . ?
C7 C25 1.379(7) . ?
C7 C11 1.497(7) . ?
C8 O3 1.254(5) . ?
C8 C25 1.400(7) . ?
C8 C37 1.503(7) . ?
C9 C26 1.363(7) . ?
C9 C20 1.389(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.376(8) . ?
C10 C46 1.393(9) . ?
C10 H10A 0.9300 . ?
C11 C18 1.377(8) . ?
C12 O2 1.261(5) . ?
C12 C19 1.386(7) . ?
C12 C35 1.507(6) . ?
C13 C15 1.311(8) . ?
C13 C60 1.403(8) . ?
C14 C64 1.508(8) . ?
C14 N1 1.523(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C55 1.398(8) . ?
C15 H15A 0.9300 . ?
C16 N1 1.516(6) . ?
C16 C63 1.523(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 O7 1.292(6) . ?
C17 C27 1.373(8) . ?
C17 C56 1.468(8) . ?
C18 C80 1.378(9) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 C28 1.347(10) . ?
C20 H20A 0.9300 . ?
C21 C53 1.496(7) . ?
C21 N1 1.531(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C31 1.360(8) . ?
C22 C65 1.399(10) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
C24 C29 1.362(13) . ?
C24 C84 1.418(14) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 C48 1.383(8) . ?
C27 H27A 0.9300 . ?
C28 C40 1.372(10) . ?
C28 H28A 0.9300 . ?
C29 C70 1.519(13) . ?
C29 H29A 0.9300 . ?
C30 C68 1.412(9) . ?
C30 C51 1.458(11) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C67 1.363(8) . ?
C32 C61 1.358(9) . ?
C32 C45 1.391(8) . ?
C33 C80 1.338(11) . ?
C33 C46 1.390(11) . ?
C33 H33A 0.9300 . ?
C34 C39 1.458(10) . ?
C34 C38 1.486(9) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.365(7) . ?
C35 C43 1.376(8) . ?
C36 C59 1.385(8) . ?
C36 H36A 0.9300 . ?
C37 C54 1.354(8) . ?
C37 C57 1.371(9) . ?
C38 C53 1.481(8) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C50 1.390(13) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C48 1.373(9) . ?
C40 H40A 0.9300 . ?
C41 C58 1.367(14) . ?
C41 C45 1.393(12) . ?
C41 H41A 0.9300 . ?
C42 C52 1.361(12) . ?
C42 C67 1.370(11) . ?
C42 H42A 0.9300 . ?
C62 C71 1.463(9) . ?
C62 C63 1.481(9) . ?
C62 H62B 0.9700 . ?
C62 H62A 0.9700 . ?
C43 C44 1.396(8) . ?
C43 H43A 0.9300 . ?
C44 C47 1.351(10) . ?
C44 H44A 0.9300 . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C47 C59 1.358(10) . ?
C47 H47A 0.9300 . ?
C48 H48A 0.9300 . ?
C49 C84 1.386(13) . ?
C49 C56 1.404(11) . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C75 1.292(12) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C65 1.306(11) . ?
C52 H52A 0.9300 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C69 1.402(9) . ?
C54 H54A 0.9300 . ?
C55 C78 1.238(10) . ?
C55 H55A 0.9300 . ?
C56 C70 1.369(12) . ?
C57 H57A 0.9300 . ?
C58 C66 1.324(13) . ?
C58 H58A 0.9300 . ?
C59 H59A 0.9300 . ?
C60 C79 1.431(11) . ?
C60 H60A 0.9300 . ?
C61 C66 1.408(10) . ?
C61 H61A 0.9300 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 C82 1.513(10) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 H65A 0.9300 . ?
C66 H66A 0.9300 . ?
C67 H67A 0.9300 . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 H69A 0.9300 . ?
C70 H70A 0.9300 . ?
C71 C72 1.556(14) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 C73 1.289(15) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 C77 1.355(16) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 C76 1.446(17) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 C81 1.75(2) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C79 1.358(13) . ?
C78 H78A 0.9300 . ?
C79 H79A 0.9300 . ?
C80 H80A 0.9300 . ?
C81 C82 1.503(13) . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C82 H82A 0.9700 . ?
C82 H82B 0.9700 . ?
C84 H84A 0.9300 . ?
O1 Nd1 2.414(3) . ?
O2 Nd1 2.426(3) . ?
O3 Nd1 2.413(3) . ?
O4 Nd1 2.433(3) . ?
O5 Nd1 2.409(3) . ?
O6 Nd1 2.451(3) . ?
O7 Nd1 2.410(3) . ?
O8 Nd1 2.415(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C69 C83 C6 121.3(9) . . ?
C69 C83 H83 119.3 . . ?
C6 C83 H83 119.3 . . ?
O6 C1 C27 123.9(5) . . ?
O6 C1 C32 115.2(5) . . ?
C27 C1 C32 120.9(5) . . ?
O1 C2 C19 124.1(5) . . ?
O1 C2 C31 115.7(4) . . ?
C19 C2 C31 120.2(4) . . ?
O5 C3 C23 124.8(4) . . ?
O5 C3 C13 114.2(4) . . ?
C23 C3 C13 121.0(4) . . ?
C68 C4 N1 115.3(4) . . ?
C68 C4 H4A 108.4 . . ?
N1 C4 H4A 108.4 . . ?
C68 C4 H4B 108.4 . . ?
N1 C4 H4B 108.4 . . ?
H4A C4 H4B 107.5 . . ?
O8 C5 C23 124.6(4) . . ?
O8 C5 C26 115.7(4) . . ?
C23 C5 C26 119.7(4) . . ?
C83 C6 C57 119.5(9) . . ?
C83 C6 H6A 120.2 . . ?
C57 C6 H6A 120.2 . . ?
O4 C7 C25 124.4(4) . . ?
O4 C7 C11 115.9(5) . . ?
C25 C7 C11 119.7(5) . . ?
O3 C8 C25 124.5(5) . . ?
O3 C8 C37 115.0(4) . . ?
C25 C8 C37 120.5(5) . . ?
C26 C9 C20 122.1(6) . . ?
C26 C9 H9A 118.9 . . ?
C20 C9 H9A 118.9 . . ?
C11 C10 C46 120.4(7) . . ?
C11 C10 H10A 119.8 . . ?
C46 C10 H10A 119.8 . . ?
C10 C11 C18 118.5(5) . . ?
C10 C11 C7 122.1(6) . . ?
C18 C11 C7 119.4(5) . . ?
O2 C12 C19 123.8(4) . . ?
O2 C12 C35 114.5(4) . . ?
C19 C12 C35 121.7(4) . . ?
C15 C13 C60 112.6(6) . . ?
C15 C13 C3 121.1(4) . . ?
C60 C13 C3 124.1(6) . . ?
C64 C14 N1 115.7(4) . . ?
C64 C14 H14A 108.4 . . ?
N1 C14 H14A 108.4 . . ?
C64 C14 H14B 108.4 . . ?
N1 C14 H14B 108.4 . . ?
H14A C14 H14B 107.4 . . ?
C13 C15 C55 124.3(6) . . ?
C13 C15 H15A 117.9 . . ?
C55 C15 H15A 117.9 . . ?
N1 C16 C63 115.6(4) . . ?
N1 C16 H16A 108.4 . . ?
C63 C16 H16A 108.4 . . ?
N1 C16 H16B 108.4 . . ?
C63 C16 H16B 108.4 . . ?
H16A C16 H16B 107.4 . . ?
O7 C17 C27 126.0(5) . . ?
O7 C17 C56 114.6(6) . . ?
C27 C17 C56 119.4(5) . . ?
C11 C18 C80 120.5(7) . . ?
C11 C18 H18A 119.7 . . ?
C80 C18 H18A 119.7 . . ?
C12 C19 C2 124.7(4) . . ?
C12 C19 H19A 117.7 . . ?
C2 C19 H19A 117.7 . . ?
C28 C20 C9 119.2(6) . . ?
C28 C20 H20A 120.4 . . ?
C9 C20 H20A 120.4 . . ?
C53 C21 N1 116.1(4) . . ?
C53 C21 H21A 108.3 . . ?
N1 C21 H21A 108.3 . . ?
C53 C21 H21B 108.3 . . ?
N1 C21 H21B 108.3 . . ?
H21A C21 H21B 107.4 . . ?
C31 C22 C65 119.7(7) . . ?
C31 C22 H22A 120.1 . . ?
C65 C22 H22A 120.1 . . ?
C3 C23 C5 123.4(4) . . ?
C3 C23 H23A 118.3 . . ?
C5 C23 H23A 118.3 . . ?
C29 C24 C84 135.1(13) . . ?
C29 C24 H24A 112.4 . . ?
C84 C24 H24A 112.4 . . ?
C7 C25 C8 124.4(5) . . ?
C7 C25 H25A 117.8 . . ?
C8 C25 H25A 117.8 . . ?
C9 C26 C48 116.9(5) . . ?
C9 C26 C5 124.0(5) . . ?
C48 C26 C5 118.9(4) . . ?
C17 C27 C1 124.2(5) . . ?
C17 C27 H27A 117.9 . . ?
C1 C27 H27A 117.9 . . ?
C20 C28 C40 120.8(7) . . ?
C20 C28 H28A 119.6 . . ?
C40 C28 H28A 119.6 . . ?
C24 C29 C70 110.5(12) . . ?
C24 C29 H29A 124.7 . . ?
C70 C29 H29A 124.7 . . ?
C68 C30 C51 119.9(6) . . ?
C68 C30 H30A 107.3 . . ?
C51 C30 H30A 107.3 . . ?
C68 C30 H30B 107.3 . . ?
C51 C30 H30B 107.3 . . ?
H30A C30 H30B 106.9 . . ?
C22 C31 C67 117.2(6) . . ?
C22 C31 C2 124.0(5) . . ?
C67 C31 C2 118.6(5) . . ?
C61 C32 C45 117.9(7) . . ?
C61 C32 C1 119.2(5) . . ?
C45 C32 C1 122.9(7) . . ?
C80 C33 C46 119.0(7) . . ?
C80 C33 H33A 120.5 . . ?
C46 C33 H33A 120.5 . . ?
C39 C34 C38 119.0(8) . . ?
C39 C34 H34A 107.6 . . ?
C38 C34 H34A 107.6 . . ?
C39 C34 H34B 107.6 . . ?
C38 C34 H34B 107.6 . . ?
H34A C34 H34B 107.0 . . ?
C36 C35 C43 118.0(5) . . ?
C36 C35 C12 123.2(5) . . ?
C43 C35 C12 118.7(4) . . ?
C35 C36 C59 120.3(7) . . ?
C35 C36 H36A 119.8 . . ?
C59 C36 H36A 119.8 . . ?
C54 C37 C57 117.1(6) . . ?
C54 C37 C8 119.2(5) . . ?
C57 C37 C8 123.7(6) . . ?
C53 C38 C34 116.8(6) . . ?
C53 C38 H38A 108.1 . . ?
C34 C38 H38A 108.1 . . ?
C53 C38 H38B 108.1 . . ?
C34 C38 H38B 108.1 . . ?
H38A C38 H38B 107.3 . . ?
C50 C39 C34 118.6(11) . . ?
C50 C39 H39A 107.7 . . ?
C34 C39 H39A 107.7 . . ?
C50 C39 H39B 107.7 . . ?
C34 C39 H39B 107.7 . . ?
H39A C39 H39B 107.1 . . ?
C28 C40 C48 119.1(7) . . ?
C28 C40 H40A 120.5 . . ?
C48 C40 H40A 120.5 . . ?
C58 C41 C45 120.3(10) . . ?
C58 C41 H41A 119.9 . . ?
C45 C41 H41A 119.9 . . ?
C52 C42 C67 119.0(9) . . ?
C52 C42 H42A 120.5 . . ?
C67 C42 H42A 120.5 . . ?
C71 C62 C63 116.9(6) . . ?
C71 C62 H62B 108.1 . . ?
C63 C62 H62B 108.1 . . ?
C71 C62 H62A 108.1 . . ?
C63 C62 H62A 108.1 . . ?
H62B C62 H62A 107.3 . . ?
C35 C43 C44 121.9(6) . . ?
C35 C43 H43A 119.1 . . ?
C44 C43 H43A 119.1 . . ?
C47 C44 C43 118.3(6) . . ?
C47 C44 H44A 120.9 . . ?
C43 C44 H44A 120.9 . . ?
C32 C45 C41 120.3(9) . . ?
C32 C45 H45A 119.9 . . ?
C41 C45 H45A 119.9 . . ?
C33 C46 C10 119.9(7) . . ?
C33 C46 H46A 120.1 . . ?
C10 C46 H46A 120.1 . . ?
C44 C47 C59 120.9(6) . . ?
C44 C47 H47A 119.6 . . ?
C59 C47 H47A 119.6 . . ?
C40 C48 C26 121.9(6) . . ?
C40 C48 H48A 119.1 . . ?
C26 C48 H48A 119.1 . . ?
C84 C49 C56 126.8(11) . . ?
C84 C49 H49A 116.6 . . ?
C56 C49 H49A 116.6 . . ?
C39 C50 H50A 109.5 . . ?
C39 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C39 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C75 C51 C30 133.2(10) . . ?
C75 C51 H51A 103.9 . . ?
C30 C51 H51A 103.9 . . ?
C75 C51 H51B 103.9 . . ?
C30 C51 H51B 103.9 . . ?
H51A C51 H51B 105.4 . . ?
C65 C52 C42 119.8(9) . . ?
C65 C52 H52A 120.1 . . ?
C42 C52 H52A 120.1 . . ?
C38 C53 C21 112.4(5) . . ?
C38 C53 H53A 109.1 . . ?
C21 C53 H53A 109.1 . . ?
C38 C53 H53B 109.1 . . ?
C21 C53 H53B 109.1 . . ?
H53A C53 H53B 107.9 . . ?
C37 C54 C69 122.7(7) . . ?
C37 C54 H54A 118.7 . . ?
C69 C54 H54A 118.7 . . ?
C78 C55 C15 120.8(9) . . ?
C78 C55 H55A 119.6 . . ?
C15 C55 H55A 119.6 . . ?
C70 C56 C49 121.0(7) . . ?
C70 C56 C17 118.4(7) . . ?
C49 C56 C17 120.5(8) . . ?
C37 C57 C6 120.9(9) . . ?
C37 C57 H57A 119.6 . . ?
C6 C57 H57A 119.6 . . ?
C66 C58 C41 119.8(10) . . ?
C66 C58 H58A 120.1 . . ?
C41 C58 H58A 120.1 . . ?
C47 C59 C36 120.5(6) . . ?
C47 C59 H59A 119.7 . . ?
C36 C59 H59A 119.7 . . ?
C13 C60 C79 121.3(8) . . ?
C13 C60 H60A 119.3 . . ?
C79 C60 H60A 119.3 . . ?
C32 C61 C66 120.8(8) . . ?
C32 C61 H61A 119.6 . . ?
C66 C61 H61A 119.6 . . ?
C62 C63 C16 112.8(5) . . ?
C62 C63 H63A 109.0 . . ?
C16 C63 H63A 109.0 . . ?
C62 C63 H63B 109.0 . . ?
C16 C63 H63B 109.0 . . ?
H63A C63 H63B 107.8 . . ?
C14 C64 C82 110.5(6) . . ?
C14 C64 H64A 109.5 . . ?
C82 C64 H64A 109.5 . . ?
C14 C64 H64B 109.5 . . ?
C82 C64 H64B 109.5 . . ?
H64A C64 H64B 108.1 . . ?
C52 C65 C22 121.7(8) . . ?
C52 C65 H65A 119.2 . . ?
C22 C65 H65A 119.2 . . ?
C58 C66 C61 121.0(10) . . ?
C58 C66 H66A 119.5 . . ?
C61 C66 H66A 119.5 . . ?
C31 C67 C42 122.4(8) . . ?
C31 C67 H67A 118.8 . . ?
C42 C67 H67A 118.8 . . ?
C30 C68 C4 116.1(5) . . ?
C30 C68 H68A 108.3 . . ?
C4 C68 H68A 108.3 . . ?
C30 C68 H68B 108.3 . . ?
C4 C68 H68B 108.3 . . ?
H68A C68 H68B 107.4 . . ?
C83 C69 C54 118.5(9) . . ?
C83 C69 H69A 120.7 . . ?
C54 C69 H69A 120.7 . . ?
C56 C70 C29 118.2(10) . . ?
C56 C70 H70A 120.9 . . ?
C29 C70 H70A 120.9 . . ?
C62 C71 C72 116.3(8) . . ?
C62 C71 H71A 108.2 . . ?
C72 C71 H71A 108.2 . . ?
C62 C71 H71B 108.2 . . ?
C72 C71 H71B 108.2 . . ?
H71A C71 H71B 107.4 . . ?
C73 C72 C71 129.3(17) . . ?
C73 C72 H72A 105.0 . . ?
C71 C72 H72A 105.0 . . ?
C73 C72 H72B 104.9 . . ?
C71 C72 H72B 104.9 . . ?
H72A C72 H72B 105.8 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.4 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C77 C74 H74A 109.4 . . ?
C77 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C77 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C51 C75 C76 131.3(14) . . ?
C51 C75 H75A 104.4 . . ?
C76 C75 H75A 104.4 . . ?
C51 C75 H75B 104.5 . . ?
C76 C75 H75B 104.5 . . ?
H75A C75 H75B 105.6 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C74 C77 C81 81.0(16) . . ?
C74 C77 H77A 115.1 . . ?
C81 C77 H77A 115.1 . . ?
C74 C77 H77B 115.1 . . ?
C81 C77 H77B 115.1 . . ?
H77A C77 H77B 112.1 . . ?
C55 C78 C79 119.1(8) . . ?
C55 C78 H78A 120.5 . . ?
C79 C78 H78A 120.5 . . ?
C78 C79 C60 116.1(9) . . ?
C78 C79 H79A 122.0 . . ?
C60 C79 H79A 121.9 . . ?
C33 C80 C18 121.7(8) . . ?
C33 C80 H80A 119.1 . . ?
C18 C80 H80A 119.1 . . ?
C82 C81 C77 129.5(12) . . ?
C82 C81 H81A 104.9 . . ?
C77 C81 H81A 104.9 . . ?
C82 C81 H81B 104.9 . . ?
C77 C81 H81B 104.9 . . ?
H81A C81 H81B 105.8 . . ?
C81 C82 C64 116.9(8) . . ?
C81 C82 H82A 108.1 . . ?
C64 C82 H82A 108.1 . . ?
C81 C82 H82B 108.1 . . ?
C64 C82 H82B 108.1 . . ?
H82A C82 H82B 107.3 . . ?
C49 C84 C24 106.3(12) . . ?
C49 C84 H84A 126.9 . . ?
C24 C84 H84A 126.9 . . ?
C2 O1 Nd1 133.0(3) . . ?
C12 O2 Nd1 133.6(3) . . ?
C8 O3 Nd1 136.7(3) . . ?
C7 O4 Nd1 135.9(3) . . ?
C3 O5 Nd1 136.1(3) . . ?
C1 O6 Nd1 130.2(3) . . ?
C17 O7 Nd1 130.8(3) . . ?
C5 O8 Nd1 136.0(3) . . ?
O5 Nd1 O7 117.01(11) . . ?
O5 Nd1 O3 139.05(11) . . ?
O7 Nd1 O3 80.38(11) . . ?
O5 Nd1 O1 80.37(11) . . ?
O7 Nd1 O1 132.39(11) . . ?
O3 Nd1 O1 116.43(12) . . ?
O5 Nd1 O8 69.45(11) . . ?
O7 Nd1 O8 76.55(11) . . ?
O3 Nd1 O8 80.53(11) . . ?
O1 Nd1 O8 146.45(11) . . ?
O5 Nd1 O2 145.36(11) . . ?
O7 Nd1 O2 76.22(11) . . ?
O3 Nd1 O2 72.00(12) . . ?
O1 Nd1 O2 68.91(11) . . ?
O8 Nd1 O2 143.94(11) . . ?
O5 Nd1 O4 77.44(11) . . ?
O7 Nd1 O4 142.78(12) . . ?
O3 Nd1 O4 69.23(11) . . ?
O1 Nd1 O4 81.88(11) . . ?
O8 Nd1 O4 77.67(11) . . ?
O2 Nd1 O4 112.29(11) . . ?
O5 Nd1 O6 75.34(11) . . ?
O7 Nd1 O6 68.80(11) . . ?
O3 Nd1 O6 143.18(11) . . ?
O1 Nd1 O6 74.62(12) . . ?
O8 Nd1 O6 110.00(11) . . ?
O2 Nd1 O6 81.25(11) . . ?
O4 Nd1 O6 146.47(11) . . ?
C16 N1 C14 112.2(4) . . ?
C16 N1 C21 106.0(3) . . ?
C14 N1 C21 111.3(4) . . ?
C16 N1 C4 110.5(4) . . ?
C14 N1 C4 106.3(4) . . ?
C21 N1 C4 110.7(4) . . ?

_refine_diff_density_max         1.081
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.068

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

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2070670'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2019-07-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C60 H43.01 Dy O8, C8 H20 N'
_chemical_formula_sum            'C68 H63.50 Dy N O8'
_chemical_formula_weight         1185.20
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C40 H35 N1 O3 Dy1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   10.2824(2)
_cell_length_b                   13.4683(4)
_cell_length_c                   21.8261(6)
_cell_angle_alpha                86.895(2)
_cell_angle_beta                 86.5145(19)
_cell_angle_gamma                73.057(2)
_cell_volume                     2883.97(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14937
_cell_measurement_temperature    180.01(10)
_cell_measurement_theta_max      27.9070
_cell_measurement_theta_min      3.4580
_exptl_absorpt_coefficient_mu    1.352
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1217
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            27555
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         2.81
_diffrn_ambient_temperature      180.01(10)
_diffrn_detector_area_resol_mean 10.3914
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.826
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -48.00   37.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950  -57.0000   60.0000 85

#__ type_ start__ end____ width___ exp.time_
  2 omega  -12.00   30.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950  -38.0000   90.0000 42

#__ type_ start__ end____ width___ exp.time_
  3 omega  -19.00   69.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950   57.0000    0.0000 88

#__ type_ start__ end____ width___ exp.time_
  4 omega    6.00   85.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -        8.7950   38.0000 -120.0000 79

#__ type_ start__ end____ width___ exp.time_
  5 omega    0.00   28.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -       -9.6544  -99.0000  -60.0000 28

#__ type_ start__ end____ width___ exp.time_
  6 omega    0.00   25.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -       -9.6544   38.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
  7 omega   38.00   65.00   1.0000   11.0000
omega____ theta____ kappa____ phi______ frames
    -       -9.6544    0.0000  -90.0000 27
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0237879000
_diffrn_orient_matrix_UB_12      0.0137104000
_diffrn_orient_matrix_UB_13      -0.0300135000
_diffrn_orient_matrix_UB_21      0.0006307000
_diffrn_orient_matrix_UB_22      0.0518608000
_diffrn_orient_matrix_UB_23      0.0036733000
_diffrn_orient_matrix_UB_31      0.0681574000
_diffrn_orient_matrix_UB_32      -0.0125642000
_diffrn_orient_matrix_UB_33      -0.0121353000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                10807
_reflns_number_total             12091
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     24.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         12091
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0212P)²+2.0931P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0680
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C69A)=1-FVAR(1)
 Sof(C69)=FVAR(1)
 Sof(C68A)=Sof(H68A)=1-FVAR(2)
 Sof(C68)=Sof(H68)=FVAR(2)
 Sof(C67A)=Sof(H67A)=1-FVAR(3)
 Sof(C67)=Sof(H67)=FVAR(3)
 Sof(C64A)=Sof(H64A)=1-FVAR(4)
 Sof(C64)=Sof(H64)=FVAR(4)
 Sof(C66A)=Sof(H66A)=1-FVAR(5)
 Sof(C66)=Sof(H66)=FVAR(5)
 Sof(C65A)=Sof(H65A)=1-FVAR(6)
 Sof(C65)=Sof(H65)=FVAR(6)
3.a Secondary CH2 refined with riding coordinates:
 C56(H56A,H56B), C58(H58A,H58B), C60(H60A,H60B), C62(H62A,H62B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23),
  C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C35(H35), C38(H38), C41(H41), C42(H42), C43(H43), C44(H44),
  C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C53(H53),
 C64(H64), C64A(H64A), C65(H65), C66(H66), C67(H67), C68(H68), C67A(H67A),
 C68A(H68A)
3.c Idealised Me refined as rotating group:
 C55(H55A,H55B,H55C), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C), C61(H61A,H61B,
 H61C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.237597(12) 0.681197(10) 0.748911(5) 0.02565(5) Uani 1 1 d . . .
O4 O 0.08558(18) 0.79905(15) 0.68255(8) 0.0308(4) Uani 1 1 d . . .
O6 O 0.17495(18) 0.57335(15) 0.68553(8) 0.0315(4) Uani 1 1 d . . .
O3 O 0.28632(19) 0.83894(15) 0.75019(8) 0.0336(4) Uani 1 1 d . . .
O1 O 0.34379(17) 0.67980(15) 0.84184(8) 0.0298(4) Uani 1 1 d . . .
O7 O 0.05783(19) 0.77012(15) 0.81374(9) 0.0372(5) Uani 1 1 d . . .
O2 O 0.43570(18) 0.54020(15) 0.74927(8) 0.0315(4) Uani 1 1 d . . .
O5 O 0.35081(17) 0.69010(15) 0.65135(8) 0.0304(4) Uani 1 1 d . . .
N1 N 0.2723(2) 0.2929(2) 0.27383(10) 0.0333(5) Uani 1 1 d . . .
C1 C 0.5952(3) 0.3785(2) 0.77245(13) 0.0361(7) Uani 1 1 d . . .
C2 C 0.6916(4) 0.3150(3) 0.81026(16) 0.0550(9) Uani 1 1 d . . .
H2 H 0.6982 0.3352 0.8498 0.066 Uiso 1 1 calc R . .
C3 C 0.7772(4) 0.2231(3) 0.79043(18) 0.0609(10) Uani 1 1 d . . .
H3 H 0.8423 0.1822 0.8162 0.073 Uiso 1 1 calc R . .
C4 C 0.7679(4) 0.1907(3) 0.73315(17) 0.0578(10) Uani 1 1 d . . .
H4 H 0.8248 0.1275 0.7201 0.069 Uiso 1 1 calc R . .
C5 C 0.6741(4) 0.2522(3) 0.69508(16) 0.0574(9) Uani 1 1 d . . .
H5 H 0.6672 0.2306 0.6560 0.069 Uiso 1 1 calc R . .
C6 C 0.5892(3) 0.3464(3) 0.71424(15) 0.0442(8) Uani 1 1 d . . .
H6 H 0.5274 0.3884 0.6875 0.053 Uiso 1 1 calc R . .
C7 C 0.5033(3) 0.4824(2) 0.79163(13) 0.0338(6) Uani 1 1 d . . .
C8 C 0.4999(3) 0.5120(2) 0.85265(13) 0.0403(7) Uani 1 1 d . . .
H8 H 0.5479 0.4632 0.8811 0.048 Uiso 1 1 calc R . .
C9 C 0.4283(3) 0.6105(2) 0.87293(12) 0.0330(6) Uani 1 1 d . . .
C10 C 0.4556(3) 0.6414(2) 0.93461(12) 0.0364(7) Uani 1 1 d . . .
C11 C 0.3615(4) 0.7192(3) 0.96386(15) 0.0621(10) Uani 1 1 d . . .
H11 H 0.2790 0.7509 0.9460 0.075 Uiso 1 1 calc R . .
C12 C 0.3868(5) 0.7519(4) 1.01955(19) 0.0889(16) Uani 1 1 d . . .
H12 H 0.3199 0.8032 1.0398 0.107 Uiso 1 1 calc R . .
C13 C 0.5096(5) 0.7091(4) 1.04507(17) 0.0738(12) Uani 1 1 d . . .
H13 H 0.5277 0.7338 1.0816 0.089 Uiso 1 1 calc R . .
C14 C 0.6056(4) 0.6306(3) 1.01731(15) 0.0588(10) Uani 1 1 d . . .
H14 H 0.6888 0.6011 1.0351 0.071 Uiso 1 1 calc R . .
C15 C 0.5790(3) 0.5949(3) 0.96253(14) 0.0474(8) Uani 1 1 d . . .
H15 H 0.6434 0.5397 0.9441 0.057 Uiso 1 1 calc R . .
C16 C 0.3082(3) 1.0968(3) 0.71208(15) 0.0450(8) Uani 1 1 d . . .
H16 H 0.2669 1.1107 0.6746 0.054 Uiso 1 1 calc R . .
C17 C 0.3729(4) 1.1647(3) 0.73248(17) 0.0582(10) Uani 1 1 d . . .
H17 H 0.3752 1.2235 0.7086 0.070 Uiso 1 1 calc R . .
C18 C 0.4336(4) 1.1454(3) 0.78795(18) 0.0571(9) Uani 1 1 d . . .
H18 H 0.4783 1.1906 0.8013 0.069 Uiso 1 1 calc R . .
C19 C 0.4284(3) 1.0592(3) 0.82370(15) 0.0477(8) Uani 1 1 d . . .
H19 H 0.4676 1.0469 0.8617 0.057 Uiso 1 1 calc R . .
C20 C 0.3647(3) 0.9906(2) 0.80308(13) 0.0355(7) Uani 1 1 d . . .
H20 H 0.3624 0.9320 0.8272 0.043 Uiso 1 1 calc R . .
C21 C 0.3040(3) 1.0083(2) 0.74663(12) 0.0314(6) Uani 1 1 d . . .
C22 C 0.2421(3) 0.9283(2) 0.72535(12) 0.0284(6) Uani 1 1 d . . .
C23 C 0.1445(3) 0.9562(2) 0.68160(12) 0.0322(6) Uani 1 1 d . . .
H23 H 0.1239 1.0234 0.6645 0.039 Uiso 1 1 calc R . .
C24 C 0.0745(2) 0.8896(2) 0.66123(11) 0.0254(5) Uani 1 1 d . . .
C25 C -0.0198(2) 0.9264(2) 0.60912(11) 0.0241(5) Uani 1 1 d . . .
C26 C -0.0845(3) 1.0306(2) 0.59581(12) 0.0319(6) Uani 1 1 d . . .
H26 H -0.0686 1.0810 0.6194 0.038 Uiso 1 1 calc R . .
C27 C -0.1717(3) 1.0604(2) 0.54830(13) 0.0366(7) Uani 1 1 d . . .
H27 H -0.2152 1.1304 0.5403 0.044 Uiso 1 1 calc R . .
C28 C -0.1941(3) 0.9860(2) 0.51255(13) 0.0373(7) Uani 1 1 d . . .
H28 H -0.2521 1.0058 0.4801 0.045 Uiso 1 1 calc R . .
C29 C -0.1306(3) 0.8825(2) 0.52504(12) 0.0349(6) Uani 1 1 d . . .
H29 H -0.1460 0.8322 0.5012 0.042 Uiso 1 1 calc R . .
C30 C -0.0438(3) 0.8531(2) 0.57300(12) 0.0280(6) Uani 1 1 d . . .
H30 H -0.0010 0.7830 0.5811 0.034 Uiso 1 1 calc R . .
C31 C 0.4462(3) 0.7940(2) 0.55690(12) 0.0308(6) Uani 1 1 d . . .
H31 H 0.4161 0.8279 0.5934 0.037 Uiso 1 1 calc R . .
C32 C 0.5195(3) 0.8364(3) 0.51261(14) 0.0404(7) Uani 1 1 d . . .
H32 H 0.5385 0.8981 0.5195 0.048 Uiso 1 1 calc R . .
C33 C 0.5640(3) 0.7865(3) 0.45827(14) 0.0457(8) Uani 1 1 d . . .
H33 H 0.6144 0.8141 0.4289 0.055 Uiso 1 1 calc R . .
C34 C 0.5338(3) 0.6965(3) 0.44765(14) 0.0434(8) Uani 1 1 d . . .
H34 H 0.5626 0.6638 0.4107 0.052 Uiso 1 1 calc R . .
C35 C 0.4603(3) 0.6537(2) 0.49188(12) 0.0354(7) Uani 1 1 d . . .
H35 H 0.4397 0.5928 0.4843 0.042 Uiso 1 1 calc R . .
C36 C 0.4174(2) 0.7019(2) 0.54748(12) 0.0273(6) Uani 1 1 d . . .
C37 C 0.3439(2) 0.6575(2) 0.59897(12) 0.0263(6) Uani 1 1 d . . .
C38 C 0.2759(3) 0.5847(2) 0.58676(12) 0.0305(6) Uani 1 1 d . . .
H38 H 0.2826 0.5619 0.5469 0.037 Uiso 1 1 calc R . .
C39 C 0.1987(2) 0.5444(2) 0.63094(12) 0.0271(6) Uani 1 1 d . . .
C40 C 0.1375(3) 0.4609(2) 0.61598(12) 0.0287(6) Uani 1 1 d . . .
C41 C 0.1142(3) 0.4394(2) 0.55695(13) 0.0360(7) Uani 1 1 d . . .
H41 H 0.1432 0.4748 0.5236 0.043 Uiso 1 1 calc R . .
C42 C 0.0483(3) 0.3658(2) 0.54695(16) 0.0466(8) Uani 1 1 d . . .
H42 H 0.0320 0.3531 0.5071 0.056 Uiso 1 1 calc R . .
C43 C 0.0069(4) 0.3115(3) 0.59570(17) 0.0552(9) Uani 1 1 d . . .
H43 H -0.0383 0.2628 0.5889 0.066 Uiso 1 1 calc R . .
C44 C 0.0326(4) 0.3296(3) 0.65471(17) 0.0528(9) Uani 1 1 d . . .
H44 H 0.0065 0.2919 0.6877 0.063 Uiso 1 1 calc R . .
C45 C 0.0974(3) 0.4039(2) 0.66494(14) 0.0387(7) Uani 1 1 d . . .
H45 H 0.1143 0.4157 0.7049 0.046 Uiso 1 1 calc R . .
C46 C -0.0397(3) 0.4551(3) 0.92648(14) 0.0502(9) Uani 1 1 d . . .
H46 H -0.0891 0.5151 0.9460 0.060 Uiso 1 1 calc R . .
C47 C -0.0696(4) 0.3637(4) 0.93973(17) 0.0645(11) Uani 1 1 d . . .
H47 H -0.1394 0.3617 0.9685 0.077 Uiso 1 1 calc R . .
C48 C 0.0017(5) 0.2759(4) 0.9113(2) 0.0769(14) Uani 1 1 d . . .
H48 H -0.0213 0.2146 0.9200 0.092 Uiso 1 1 calc R . .
C49 C 0.1068(5) 0.2764(3) 0.8700(2) 0.0695(11) Uani 1 1 d . . .
H49 H 0.1563 0.2153 0.8516 0.083 Uiso 1 1 calc R . .
C50 C 0.1392(3) 0.3665(3) 0.85571(15) 0.0466(8) Uani 1 1 d . . .
H50 H 0.2108 0.3662 0.8274 0.056 Uiso 1 1 calc R . .
C51 C 0.0675(3) 0.4581(2) 0.88263(12) 0.0372(7) Uani 1 1 d . . .
C52 C 0.0912(3) 0.5583(2) 0.86023(12) 0.0314(6) Uani 1 1 d . . .
C53 C 0.0297(3) 0.6495(2) 0.89221(13) 0.0400(7) Uani 1 1 d . . .
H53 H -0.0039 0.6428 0.9323 0.048 Uiso 1 1 calc R . .
C54 C 0.0162(3) 0.7490(3) 0.86735(14) 0.0456(8) Uani 1 1 d . . .
C55 C 0.2397(3) 0.3637(3) 0.38210(14) 0.0519(9) Uani 1 1 d . . .
H55A H 0.1634 0.4212 0.3710 0.078 Uiso 1 1 calc R . .
H55B H 0.2882 0.3840 0.4131 0.078 Uiso 1 1 calc R . .
H55C H 0.2079 0.3065 0.3977 0.078 Uiso 1 1 calc R . .
C56 C 0.3333(3) 0.3314(3) 0.32626(13) 0.0387(7) Uani 1 1 d . . .
H56A H 0.4129 0.2767 0.3388 0.046 Uiso 1 1 calc R . .
H56B H 0.3638 0.3901 0.3109 0.046 Uiso 1 1 calc R . .
C57 C 0.3370(3) 0.1059(3) 0.31742(17) 0.0568(10) Uani 1 1 d . . .
H57A H 0.4057 0.0822 0.2854 0.085 Uiso 1 1 calc R . .
H57B H 0.2982 0.0510 0.3304 0.085 Uiso 1 1 calc R . .
H57C H 0.3772 0.1256 0.3516 0.085 Uiso 1 1 calc R . .
C58 C 0.2268(3) 0.1984(3) 0.29360(15) 0.0424(8) Uani 1 1 d . . .
H58A H 0.1551 0.2181 0.3255 0.051 Uiso 1 1 calc R . .
H58B H 0.1880 0.1774 0.2589 0.051 Uiso 1 1 calc R . .
C59 C 0.3436(3) 0.2295(3) 0.16577(14) 0.0526(9) Uani 1 1 d . . .
H59A H 0.4187 0.2167 0.1360 0.079 Uiso 1 1 calc R . .
H59B H 0.2667 0.2808 0.1493 0.079 Uiso 1 1 calc R . .
H59C H 0.3204 0.1662 0.1754 0.079 Uiso 1 1 calc R . .
C60 C 0.3831(3) 0.2683(3) 0.22315(13) 0.0384(7) Uani 1 1 d . . .
H60A H 0.4101 0.3305 0.2124 0.046 Uiso 1 1 calc R . .
H60B H 0.4618 0.2162 0.2389 0.046 Uiso 1 1 calc R . .
C61 C 0.1703(3) 0.4764(3) 0.23093(15) 0.0465(8) Uani 1 1 d . . .
H61A H 0.2340 0.4651 0.1962 0.070 Uiso 1 1 calc R . .
H61B H 0.2062 0.5042 0.2634 0.070 Uiso 1 1 calc R . .
H61C H 0.0857 0.5245 0.2192 0.070 Uiso 1 1 calc R . .
C62 C 0.1467(3) 0.3754(3) 0.25266(14) 0.0386(7) Uani 1 1 d . . .
H62A H 0.1098 0.3484 0.2195 0.046 Uiso 1 1 calc R . .
H62B H 0.0787 0.3885 0.2864 0.046 Uiso 1 1 calc R . .
C64 C -0.1285(7) 0.9316(5) 0.8756(3) 0.049(2) Uani 0.503(8) 1 d P A 1
H64 H -0.0791 0.9456 0.8407 0.059 Uiso 0.503(8) 1 calc PR A 1
C64A C 0.0529(8) 0.9196(6) 0.8971(5) 0.071(3) Uani 0.497(8) 1 d P A 2
H64A H 0.1189 0.9130 0.8653 0.085 Uiso 0.497(8) 1 calc PR A 2
C65 C -0.2328(9) 1.0103(6) 0.9008(4) 0.075(3) Uani 0.523(10) 1 d P A 1
H65 H -0.2563 1.0762 0.8819 0.090 Uiso 0.523(10) 1 calc PR A 1
C66 C -0.3012(8) 0.9910(6) 0.9534(4) 0.062(3) Uani 0.491(10) 1 d P A 1
H66 H -0.3708 1.0443 0.9706 0.075 Uiso 0.491(10) 1 calc PR A 1
C67 C -0.2687(7) 0.8949(6) 0.9807(3) 0.050(3) Uani 0.508(10) 1 d P A 1
H67 H -0.3142 0.8828 1.0172 0.060 Uiso 0.508(10) 1 calc PR A 1
C68 C -0.1696(12) 0.8159(12) 0.9550(3) 0.042(3) Uani 0.50(4) 1 d P A 1
H68 H -0.1503 0.7497 0.9735 0.050 Uiso 0.50(4) 1 calc PR A 1
C69 C -0.0970(13) 0.8324(6) 0.9018(3) 0.033(3) Uani 0.47(2) 1 d P A 1
C65A C 0.0290(12) 0.9997(8) 0.9353(7) 0.104(5) Uani 0.477(10) 1 d P . 2
H65A H 0.0798 1.0468 0.9302 0.125 Uiso 0.477(10) 1 calc PR A 2
C66A C -0.0662(16) 1.0107(8) 0.9795(6) 0.108(6) Uani 0.509(10) 1 d P . 2
H66A H -0.0804 1.0657 1.0055 0.130 Uiso 0.509(10) 1 calc PR A 2
C67A C -0.1472(12) 0.9435(8) 0.9893(4) 0.089(5) Uani 0.492(10) 1 d P A 2
H67A H -0.2166 0.9546 1.0198 0.106 Uiso 0.492(10) 1 calc PR A 2
C68A C -0.118(2) 0.8563(14) 0.9502(4) 0.058(6) Uani 0.50(4) 1 d P A 2
H68A H -0.1659 0.8074 0.9560 0.069 Uiso 0.50(4) 1 calc PR A 2
C69A C -0.0201(15) 0.8466(5) 0.9048(3) 0.044(3) Uani 0.53(2) 1 d P A 2
O8 O 0.16051(18) 0.55727(15) 0.81053(8) 0.0305(4) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.3750(18) . ?
Dy1 O6 2.3044(18) . ?
Dy1 O3 2.3224(19) . ?
Dy1 O1 2.3579(18) . ?
Dy1 O7 2.3299(19) . ?
Dy1 O2 2.3454(18) . ?
Dy1 O5 2.3783(17) . ?
Dy1 O8 2.3709(18) . ?
O4 C24 1.257(3) . ?
O6 C39 1.261(3) . ?
O3 C22 1.261(3) . ?
O1 C9 1.271(3) . ?
O7 C54 1.268(4) . ?
O2 C7 1.276(3) . ?
O5 C37 1.260(3) . ?
N1 C56 1.521(4) . ?
N1 C58 1.512(4) . ?
N1 C60 1.516(3) . ?
N1 C62 1.515(4) . ?
C1 C2 1.387(4) . ?
C1 C6 1.375(4) . ?
C1 C7 1.506(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.368(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.364(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.365(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.406(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.398(4) . ?
C9 C10 1.496(4) . ?
C10 C11 1.360(5) . ?
C10 C15 1.401(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.379(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.365(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.359(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.384(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.382(4) . ?
C16 C21 1.385(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.374(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.376(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.385(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.392(4) . ?
C21 C22 1.508(4) . ?
C22 C23 1.385(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.407(4) . ?
C24 C25 1.507(4) . ?
C25 C26 1.390(4) . ?
C25 C30 1.381(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.378(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.381(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.377(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.383(4) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.389(4) . ?
C31 C36 1.385(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.382(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.370(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.393(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.393(4) . ?
C36 C37 1.510(3) . ?
C37 C38 1.404(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.398(4) . ?
C39 C40 1.498(4) . ?
C40 C41 1.385(4) . ?
C40 C45 1.394(4) . ?
C41 H41 0.9300 . ?
C41 C42 1.387(4) . ?
C42 H42 0.9300 . ?
C42 C43 1.375(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.379(5) . ?
C44 H44 0.9300 . ?
C44 C45 1.388(4) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C46 C47 1.366(5) . ?
C46 C51 1.423(4) . ?
C47 H47 0.9300 . ?
C47 C48 1.357(6) . ?
C48 H48 0.9300 . ?
C48 C49 1.365(6) . ?
C49 H49 0.9300 . ?
C49 C50 1.366(5) . ?
C50 H50 0.9300 . ?
C50 C51 1.381(4) . ?
C51 C52 1.491(4) . ?
C52 C53 1.409(4) . ?
C52 O8 1.259(3) . ?
C53 H53 0.9300 . ?
C53 C54 1.390(5) . ?
C54 C69 1.550(8) . ?
C54 C69A 1.526(8) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C55 C56 1.507(4) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C57 C58 1.512(5) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C59 C60 1.504(4) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C61 C62 1.497(4) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C64 H64 0.9300 . ?
C64 C65 1.380(9) . ?
C64 C69 1.381(10) . ?
C64A H64A 0.9300 . ?
C64A C65A 1.356(13) . ?
C64A C69A 1.398(17) . ?
C65 H65 0.9300 . ?
C65 C66 1.362(10) . ?
C66 H66 0.9300 . ?
C66 C67 1.354(10) . ?
C67 H67 0.9300 . ?
C67 C68 1.359(10) . ?
C68 H68 0.9300 . ?
C68 C69 1.386(15) . ?
C65A H65A 0.9300 . ?
C65A C66A 1.314(17) . ?
C65A C66A 1.91(2) 2_577 ?
C66A C65A 1.91(2) 2_577 ?
C66A H66A 0.9300 . ?
C66A C67A 1.398(17) . ?
C67A H67A 0.9300 . ?
C67A C68A 1.439(17) . ?
C68A H68A 0.9300 . ?
C68A C69A 1.35(2) . ?

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
O4 Dy1 O5 70.92(6) . . ?
O6 Dy1 O4 76.78(7) . . ?
O6 Dy1 O3 142.80(6) . . ?
O6 Dy1 O1 141.81(7) . . ?
O6 Dy1 O7 112.44(7) . . ?
O6 Dy1 O2 80.42(7) . . ?
O6 Dy1 O5 72.47(6) . . ?
O6 Dy1 O8 71.25(6) . . ?
O3 Dy1 O4 73.12(6) . . ?
O3 Dy1 O1 73.73(6) . . ?
O3 Dy1 O7 80.50(7) . . ?
O3 Dy1 O2 111.86(7) . . ?
O3 Dy1 O5 77.36(6) . . ?
O3 Dy1 O8 143.88(6) . . ?
O1 Dy1 O4 139.74(6) . . ?
O1 Dy1 O5 122.35(6) . . ?
O1 Dy1 O8 77.88(6) . . ?
O7 Dy1 O4 75.38(6) . . ?
O7 Dy1 O1 77.21(6) . . ?
O7 Dy1 O2 141.30(6) . . ?
O7 Dy1 O5 143.76(7) . . ?
O7 Dy1 O8 71.73(7) . . ?
O2 Dy1 O4 142.73(6) . . ?
O2 Dy1 O1 72.06(6) . . ?
O2 Dy1 O5 74.30(6) . . ?
O2 Dy1 O8 79.22(6) . . ?
O8 Dy1 O4 119.54(6) . . ?
O8 Dy1 O5 137.87(6) . . ?
C24 O4 Dy1 134.64(17) . . ?
C39 O6 Dy1 138.46(16) . . ?
C22 O3 Dy1 136.67(17) . . ?
C9 O1 Dy1 134.20(18) . . ?
C54 O7 Dy1 132.51(19) . . ?
C7 O2 Dy1 133.87(16) . . ?
C37 O5 Dy1 135.01(16) . . ?
C58 N1 C56 111.6(2) . . ?
C58 N1 C60 111.4(2) . . ?
C58 N1 C62 106.3(2) . . ?
C60 N1 C56 105.8(2) . . ?
C62 N1 C56 110.5(2) . . ?
C62 N1 C60 111.4(2) . . ?
C2 C1 C7 122.7(3) . . ?
C6 C1 C2 117.8(3) . . ?
C6 C1 C7 119.5(3) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.1(3) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.5(3) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 120.7(3) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
O2 C7 C1 116.1(2) . . ?
O2 C7 C8 124.0(3) . . ?
C8 C7 C1 119.9(3) . . ?
C7 C8 H8 118.2 . . ?
C9 C8 C7 123.7(3) . . ?
C9 C8 H8 118.2 . . ?
O1 C9 C8 125.1(3) . . ?
O1 C9 C10 115.8(3) . . ?
C8 C9 C10 119.0(3) . . ?
C11 C10 C9 119.9(3) . . ?
C11 C10 C15 118.3(3) . . ?
C15 C10 C9 121.7(3) . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.0(4) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(3) . . ?
C15 C14 H14 120.2 . . ?
C10 C15 H15 119.8 . . ?
C14 C15 C10 120.4(3) . . ?
C14 C15 H15 119.8 . . ?
C17 C16 H16 119.5 . . ?
C17 C16 C21 121.0(3) . . ?
C21 C16 H16 119.5 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.9(3) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.8(3) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 C20 118.1(3) . . ?
C16 C21 C22 123.5(3) . . ?
C20 C21 C22 118.3(3) . . ?
O3 C22 C21 114.9(2) . . ?
O3 C22 C23 125.4(3) . . ?
C23 C22 C21 119.7(3) . . ?
C22 C23 H23 117.8 . . ?
C22 C23 C24 124.3(3) . . ?
C24 C23 H23 117.8 . . ?
O4 C24 C23 125.0(2) . . ?
O4 C24 C25 116.0(2) . . ?
C23 C24 C25 119.0(2) . . ?
C26 C25 C24 123.2(2) . . ?
C30 C25 C24 118.5(2) . . ?
C30 C25 C26 118.3(2) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.1(3) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.7(3) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.8(3) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.1(3) . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.9(3) . . ?
C25 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C32 C31 H31 119.6 . . ?
C36 C31 H31 119.6 . . ?
C36 C31 C32 120.9(3) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.8(3) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.4(3) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.2(3) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 118.7(2) . . ?
C31 C36 C37 117.9(2) . . ?
C35 C36 C37 123.4(3) . . ?
O5 C37 C36 114.9(2) . . ?
O5 C37 C38 124.9(2) . . ?
C38 C37 C36 120.2(2) . . ?
C37 C38 H38 118.0 . . ?
C39 C38 C37 123.9(2) . . ?
C39 C38 H38 118.0 . . ?
O6 C39 C38 124.3(2) . . ?
O6 C39 C40 114.5(2) . . ?
C38 C39 C40 121.2(2) . . ?
C41 C40 C39 124.2(2) . . ?
C41 C40 C45 118.2(3) . . ?
C45 C40 C39 117.6(2) . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C42 120.9(3) . . ?
C42 C41 H41 119.6 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.3(3) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.7(3) . . ?
C44 C43 H43 120.1 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.1(3) . . ?
C45 C44 H44 119.9 . . ?
C40 C45 H45 119.6 . . ?
C44 C45 C40 120.7(3) . . ?
C44 C45 H45 119.6 . . ?
C47 C46 H46 120.2 . . ?
C47 C46 C51 119.7(4) . . ?
C51 C46 H46 120.2 . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.6(4) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 119.6 . . ?
C47 C48 C49 120.8(4) . . ?
C49 C48 H48 119.6 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.1(4) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 119.5 . . ?
C49 C50 C51 121.0(3) . . ?
C51 C50 H50 119.5 . . ?
C46 C51 C52 121.5(3) . . ?
C50 C51 C46 117.9(3) . . ?
C50 C51 C52 120.2(3) . . ?
C53 C52 C51 119.9(3) . . ?
O8 C52 C51 116.9(3) . . ?
O8 C52 C53 123.1(3) . . ?
C52 C53 H53 118.1 . . ?
C54 C53 C52 123.8(3) . . ?
C54 C53 H53 118.1 . . ?
O7 C54 C53 125.2(3) . . ?
O7 C54 C69 119.6(4) . . ?
O7 C54 C69A 109.1(5) . . ?
C53 C54 C69 112.1(4) . . ?
C53 C54 C69A 124.4(4) . . ?
C69A C54 C69 32.9(3) . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C56 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
C56 C55 H55C 109.5 . . ?
N1 C56 H56A 108.4 . . ?
N1 C56 H56B 108.4 . . ?
C55 C56 N1 115.7(2) . . ?
C55 C56 H56A 108.4 . . ?
C55 C56 H56B 108.4 . . ?
H56A C56 H56B 107.4 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
N1 C58 H58A 108.4 . . ?
N1 C58 H58B 108.4 . . ?
C57 C58 N1 115.4(2) . . ?
C57 C58 H58A 108.4 . . ?
C57 C58 H58B 108.4 . . ?
H58A C58 H58B 107.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
N1 C60 H60A 108.6 . . ?
N1 C60 H60B 108.6 . . ?
C59 C60 N1 114.8(2) . . ?
C59 C60 H60A 108.6 . . ?
C59 C60 H60B 108.6 . . ?
H60A C60 H60B 107.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
N1 C62 H62A 108.6 . . ?
N1 C62 H62B 108.6 . . ?
C61 C62 N1 114.8(2) . . ?
C61 C62 H62A 108.6 . . ?
C61 C62 H62B 108.6 . . ?
H62A C62 H62B 107.5 . . ?
C65 C64 H64 119.8 . . ?
C65 C64 C69 120.4(6) . . ?
C69 C64 H64 119.8 . . ?
C65A C64A H64A 119.5 . . ?
C65A C64A C69A 121.0(10) . . ?
C69A C64A H64A 119.5 . . ?
C64 C65 H65 120.1 . . ?
C66 C65 C64 119.9(7) . . ?
C66 C65 H65 120.1 . . ?
C65 C66 H66 119.8 . . ?
C67 C66 C65 120.5(6) . . ?
C67 C66 H66 119.8 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(8) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 119.4 . . ?
C67 C68 C69 121.2(12) . . ?
C69 C68 H68 119.4 . . ?
C64 C69 C54 115.8(6) . . ?
C64 C69 C68 117.9(8) . . ?
C68 C69 C54 126.2(8) . . ?
C64A C65A H65A 120.1 . . ?
C64A C65A C66A 126.2(9) . 2_577 ?
C66A C65A C64A 119.8(12) . . ?
C66A C65A H65A 87.5 2_577 . ?
C66A C65A H65A 120.1 . . ?
C66A C65A C66A 56.8(12) . 2_577 ?
C65A C66A C65A 123.2(12) . 2_577 ?
C65A C66A H66A 118.4 . . ?
C65A C66A H66A 53.8 2_577 . ?
C65A C66A C67A 123.1(9) . . ?
C67A C66A C65A 90.9(11) . 2_577 ?
C67A C66A H66A 118.4 . . ?
C66A C67A H67A 121.5 . . ?
C66A C67A C68A 116.9(14) . . ?
C68A C67A H67A 121.5 . . ?
C67A C68A H68A 120.5 . . ?
C69A C68A C67A 119(2) . . ?
C69A C68A H68A 120.5 . . ?
C64A C69A C54 121.9(9) . . ?
C68A C69A C54 117.8(14) . . ?
C68A C69A C64A 120.0(12) . . ?
C52 O8 Dy1 135.70(18) . . ?

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 O4 C24 C23 -12.0(4) . . . . ?
Dy1 O4 C24 C25 166.84(15) . . . . ?
Dy1 O6 C39 C38 -5.8(4) . . . . ?
Dy1 O6 C39 C40 173.83(18) . . . . ?
Dy1 O3 C22 C21 174.96(16) . . . . ?
Dy1 O3 C22 C23 -5.1(4) . . . . ?
Dy1 O1 C9 C8 10.5(4) . . . . ?
Dy1 O1 C9 C10 -172.46(16) . . . . ?
Dy1 O7 C54 C53 -29.4(5) . . . . ?
Dy1 O7 C54 C69 172.0(6) . . . . ?
Dy1 O7 C54 C69A 137.5(6) . . . . ?
Dy1 O2 C7 C1 159.27(18) . . . . ?
Dy1 O2 C7 C8 -23.3(4) . . . . ?
Dy1 O5 C37 C36 167.84(16) . . . . ?
Dy1 O5 C37 C38 -12.9(4) . . . . ?
O4 Dy1 O6 C39 74.3(3) . . . . ?
O4 Dy1 O3 C22 0.1(2) . . . . ?
O4 Dy1 O1 C9 -177.8(2) . . . . ?
O4 Dy1 O7 C54 159.3(3) . . . . ?
O4 Dy1 O2 C7 -177.5(2) . . . . ?
O4 Dy1 O5 C37 -72.6(2) . . . . ?
O4 Dy1 O8 C52 -79.4(3) . . . . ?
O4 C24 C25 C26 154.5(2) . . . . ?
O4 C24 C25 C30 -25.1(3) . . . . ?
O6 Dy1 O4 C24 -149.4(2) . . . . ?
O6 Dy1 O3 C22 37.4(3) . . . . ?
O6 Dy1 O1 C9 24.0(3) . . . . ?
O6 Dy1 O7 C54 90.6(3) . . . . ?
O6 Dy1 O2 C7 -124.7(2) . . . . ?
O6 Dy1 O5 C37 9.1(2) . . . . ?
O6 Dy1 O8 C52 -141.3(3) . . . . ?
O6 C39 C40 C41 159.6(3) . . . . ?
O6 C39 C40 C45 -18.1(4) . . . . ?
O3 Dy1 O4 C24 8.5(2) . . . . ?
O3 Dy1 O6 C39 37.7(3) . . . . ?
O3 Dy1 O1 C9 -142.1(2) . . . . ?
O3 Dy1 O7 C54 -125.8(3) . . . . ?
O3 Dy1 O2 C7 91.9(2) . . . . ?
O3 Dy1 O5 C37 -148.9(2) . . . . ?
O3 Dy1 O8 C52 22.8(3) . . . . ?
O3 C22 C23 C24 4.0(4) . . . . ?
O1 Dy1 O4 C24 44.3(3) . . . . ?
O1 Dy1 O6 C39 -120.0(3) . . . . ?
O1 Dy1 O3 C22 -156.7(3) . . . . ?
O1 Dy1 O7 C54 -50.4(3) . . . . ?
O1 Dy1 O2 C7 28.5(2) . . . . ?
O1 Dy1 O5 C37 149.9(2) . . . . ?
O1 Dy1 O8 C52 61.5(2) . . . . ?
O1 C9 C10 C11 23.9(4) . . . . ?
O1 C9 C10 C15 -153.4(3) . . . . ?
O7 Dy1 O4 C24 92.8(2) . . . . ?
O7 Dy1 O6 C39 142.1(3) . . . . ?
O7 Dy1 O3 C22 -77.4(2) . . . . ?
O7 Dy1 O1 C9 134.2(2) . . . . ?
O7 Dy1 O2 C7 -10.6(3) . . . . ?
O7 Dy1 O5 C37 -95.2(3) . . . . ?
O7 Dy1 O8 C52 -18.9(2) . . . . ?
O7 C54 C69 C64 -11.2(13) . . . . ?
O7 C54 C69 C68 167.6(11) . . . . ?
O7 C54 C69A C64A -35.0(10) . . . . ?
O7 C54 C69A C68A 151.1(7) . . . . ?
O2 Dy1 O4 C24 -95.6(2) . . . . ?
O2 Dy1 O6 C39 -76.0(3) . . . . ?
O2 Dy1 O3 C22 140.8(2) . . . . ?
O2 Dy1 O1 C9 -22.0(2) . . . . ?
O2 Dy1 O7 C54 -12.5(3) . . . . ?
O2 Dy1 O5 C37 93.7(2) . . . . ?
O2 Dy1 O8 C52 135.2(2) . . . . ?
O2 C7 C8 C9 -4.0(5) . . . . ?
O5 Dy1 O4 C24 -73.6(2) . . . . ?
O5 Dy1 O6 C39 0.4(3) . . . . ?
O5 Dy1 O3 C22 73.7(2) . . . . ?
O5 Dy1 O1 C9 -79.2(2) . . . . ?
O5 Dy1 O7 C54 -178.6(2) . . . . ?
O5 Dy1 O2 C7 160.9(3) . . . . ?
O5 Dy1 O8 C52 -173.2(2) . . . . ?
O5 C37 C38 C39 4.7(4) . . . . ?
C1 C2 C3 C4 -1.2(6) . . . . ?
C1 C7 C8 C9 173.3(3) . . . . ?
C2 C1 C6 C5 1.9(5) . . . . ?
C2 C1 C7 O2 168.7(3) . . . . ?
C2 C1 C7 C8 -8.8(4) . . . . ?
C2 C3 C4 C5 1.4(6) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C4 C5 C6 C1 -1.7(6) . . . . ?
C6 C1 C2 C3 -0.4(5) . . . . ?
C6 C1 C7 O2 -8.1(4) . . . . ?
C6 C1 C7 C8 174.3(3) . . . . ?
C7 C1 C2 C3 -177.3(3) . . . . ?
C7 C1 C6 C5 178.9(3) . . . . ?
C7 C8 C9 O1 10.2(5) . . . . ?
C7 C8 C9 C10 -166.7(3) . . . . ?
C8 C9 C10 C11 -158.9(3) . . . . ?
C8 C9 C10 C15 23.8(4) . . . . ?
C9 C10 C11 C12 -177.3(4) . . . . ?
C9 C10 C15 C14 174.9(3) . . . . ?
C10 C11 C12 C13 2.7(7) . . . . ?
C11 C10 C15 C14 -2.5(5) . . . . ?
C11 C12 C13 C14 -3.1(8) . . . . ?
C12 C13 C14 C15 0.8(7) . . . . ?
C13 C14 C15 C10 2.1(6) . . . . ?
C15 C10 C11 C12 0.1(6) . . . . ?
C16 C17 C18 C19 -1.0(6) . . . . ?
C16 C21 C22 O3 156.3(3) . . . . ?
C16 C21 C22 C23 -23.6(4) . . . . ?
C17 C16 C21 C20 1.1(5) . . . . ?
C17 C16 C21 C22 -176.5(3) . . . . ?
C17 C18 C19 C20 1.5(5) . . . . ?
C18 C19 C20 C21 -0.7(5) . . . . ?
C19 C20 C21 C16 -0.6(4) . . . . ?
C19 C20 C21 C22 177.2(3) . . . . ?
C20 C21 C22 O3 -21.3(3) . . . . ?
C20 C21 C22 C23 158.8(3) . . . . ?
C21 C16 C17 C18 -0.4(6) . . . . ?
C21 C22 C23 C24 -176.1(2) . . . . ?
C22 C23 C24 O4 4.4(4) . . . . ?
C22 C23 C24 C25 -174.4(2) . . . . ?
C23 C24 C25 C26 -26.6(4) . . . . ?
C23 C24 C25 C30 153.8(2) . . . . ?
C24 C25 C26 C27 -178.9(2) . . . . ?
C24 C25 C30 C29 179.3(2) . . . . ?
C25 C26 C27 C28 -0.9(4) . . . . ?
C26 C25 C30 C29 -0.4(4) . . . . ?
C26 C27 C28 C29 0.8(4) . . . . ?
C27 C28 C29 C30 -0.4(4) . . . . ?
C28 C29 C30 C25 0.2(4) . . . . ?
C30 C25 C26 C27 0.7(4) . . . . ?
C31 C32 C33 C34 1.1(5) . . . . ?
C31 C36 C37 O5 -20.2(3) . . . . ?
C31 C36 C37 C38 160.5(2) . . . . ?
C32 C31 C36 C35 -1.7(4) . . . . ?
C32 C31 C36 C37 176.8(2) . . . . ?
C32 C33 C34 C35 -1.1(5) . . . . ?
C33 C34 C35 C36 -0.4(4) . . . . ?
C34 C35 C36 C31 1.8(4) . . . . ?
C34 C35 C36 C37 -176.7(3) . . . . ?
C35 C36 C37 O5 158.2(2) . . . . ?
C35 C36 C37 C38 -21.1(4) . . . . ?
C36 C31 C32 C33 0.3(4) . . . . ?
C36 C37 C38 C39 -176.0(2) . . . . ?
C37 C38 C39 O6 4.4(4) . . . . ?
C37 C38 C39 C40 -175.3(3) . . . . ?
C38 C39 C40 C41 -20.7(4) . . . . ?
C38 C39 C40 C45 161.6(3) . . . . ?
C39 C40 C41 C42 -175.4(3) . . . . ?
C39 C40 C45 C44 176.1(3) . . . . ?
C40 C41 C42 C43 -1.1(5) . . . . ?
C41 C40 C45 C44 -1.7(4) . . . . ?
C41 C42 C43 C44 -0.8(5) . . . . ?
C42 C43 C44 C45 1.4(6) . . . . ?
C43 C44 C45 C40 -0.1(5) . . . . ?
C45 C40 C41 C42 2.3(4) . . . . ?
C46 C47 C48 C49 1.6(6) . . . . ?
C46 C51 C52 C53 15.0(4) . . . . ?
C46 C51 C52 O8 -160.8(3) . . . . ?
C47 C46 C51 C50 -1.1(4) . . . . ?
C47 C46 C51 C52 171.3(3) . . . . ?
C47 C48 C49 C50 -1.6(6) . . . . ?
C48 C49 C50 C51 0.2(5) . . . . ?
C49 C50 C51 C46 1.1(5) . . . . ?
C49 C50 C51 C52 -171.4(3) . . . . ?
C50 C51 C52 C53 -172.7(3) . . . . ?
C50 C51 C52 O8 11.4(4) . . . . ?
C51 C46 C47 C48 -0.2(5) . . . . ?
C51 C52 C53 C54 -162.8(3) . . . . ?
C51 C52 O8 Dy1 -179.85(17) . . . . ?
C52 C53 C54 O7 -0.5(5) . . . . ?
C52 C53 C54 C69 159.4(6) . . . . ?
C52 C53 C54 C69A -165.6(8) . . . . ?
C53 C52 O8 Dy1 4.4(4) . . . . ?
C53 C54 C69 C64 -172.4(8) . . . . ?
C53 C54 C69 C68 6.4(15) . . . . ?
C53 C54 C69A C64A 132.1(6) . . . . ?
C53 C54 C69A C68A -41.8(12) . . . . ?
C56 N1 C58 C57 -58.8(3) . . . . ?
C56 N1 C60 C59 -179.4(3) . . . . ?
C56 N1 C62 C61 58.8(3) . . . . ?
C58 N1 C56 C55 -60.3(3) . . . . ?
C58 N1 C60 C59 59.3(3) . . . . ?
C58 N1 C62 C61 -180.0(2) . . . . ?
C60 N1 C56 C55 178.5(3) . . . . ?
C60 N1 C58 C57 59.1(3) . . . . ?
C60 N1 C62 C61 -58.5(3) . . . . ?
C62 N1 C56 C55 57.8(3) . . . . ?
C62 N1 C58 C57 -179.3(3) . . . . ?
C62 N1 C60 C59 -59.3(3) . . . . ?
C64 C65 C66 C67 -0.7(14) . . . . ?
C64A C65A C66A C65A 116.0(12) . . . 2_577 ?
C64A C65A C66A C67A -0.7(18) . . . . ?
C65 C64 C69 C54 176.5(8) . . . . ?
C65 C64 C69 C68 -2.4(17) . . . . ?
C65 C66 C67 C68 -1.8(14) . . . . ?
C66 C67 C68 C69 2.2(18) . . . . ?
C67 C68 C69 C54 -178.9(10) . . . . ?
C67 C68 C69 C64 0(2) . . . . ?
C69 C54 C69A C64A -150.3(11) . . . . ?
C69 C54 C69A C68A 35.7(10) . . . . ?
C69 C64 C65 C66 2.9(14) . . . . ?
C65A C64A C69A C54 -172.6(8) . . . . ?
C65A C64A C69A C68A 1.2(14) . . . . ?
C65A C66A C67A C68A 2.9(16) . . . . ?
C65A C66A C67A C68A -128.7(9) 2_577 . . . ?
C66A C65A C66A C65A 0.0 2_577 . . 2_577 ?
C66A C65A C66A C67A -116.7(13) 2_577 . . . ?
C66A C67A C68A C69A -3.1(14) . . . . ?
C67A C68A C69A C54 175.2(7) . . . . ?
C67A C68A C69A C64A 1.1(14) . . . . ?
C69A C54 C69 C64 68.1(10) . . . . ?
C69A C54 C69 C68 -113.1(16) . . . . ?
C69A C64A C65A C66A 67.3(16) . . . 2_577 ?
C69A C64A C65A C66A -1.5(16) . . . . ?
O8 Dy1 O4 C24 151.5(2) . . . . ?
O8 Dy1 O6 C39 -157.8(3) . . . . ?
O8 Dy1 O3 C22 -117.2(2) . . . . ?
O8 Dy1 O1 C9 60.5(2) . . . . ?
O8 Dy1 O7 C54 30.8(3) . . . . ?
O8 Dy1 O2 C7 -52.2(2) . . . . ?
O8 Dy1 O5 C37 40.7(3) . . . . ?
O8 C52 C53 C54 12.8(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2070669'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2019-07-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'2(C60 H44 Dy O8), 2(C3 H6 O), C16 H36 N, C16 H35 N'
_chemical_formula_sum            'C158 H171 Dy2 N2 O18'
_chemical_formula_weight         2710.97
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   21.1336(3)
_cell_length_b                   24.4754(3)
_cell_length_c                   27.7659(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.198(2)
_cell_angle_gamma                90.00
_cell_volume                     13390.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18383
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.7340
_cell_measurement_theta_min      3.3150
_exptl_absorpt_coefficient_mu    6.439
_exptl_absorpt_correction_T_max  0.4256
_exptl_absorpt_correction_T_min  0.3592
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5636
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            51738
_diffrn_reflns_theta_full        73.68
_diffrn_reflns_theta_max         73.68
_diffrn_reflns_theta_min         3.34
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                20602
_reflns_number_total             26070
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.029
_refine_diff_density_min         -1.032
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1621
_refine_ls_number_reflns         26070
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0440
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.180
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0562P)²+16.1925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1189
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C28(H28A,H28B), C35(H35A,H35B), C47(H47A,H47B), C59(H59A,H59B),
 C60(H60A,H60B), C64(H64A,H64B), C68(H68A,H68B), C1X(H1XA,H1XB), C2A(H2AA,H2AB),
  C2V(H2VA,H2VB), C2Z(H2ZA,H2ZB), C3D(H3DA,H3DB), C3J(H3JA,H3JB), C3M(H3MA,
 H3MB), C69(H69A,H69B), C74(H74A,H74B), C82(H82A,H82B), C85(H85A,H85B),
 C92(H92A,H92B), C103(H10A,H10B), C104(H10C,H10D), C113(H11A,H11B)
2.b Me refined with riding coordinates:
 C56(H56A,H56B,H56C), C1T(H1TA,H1TB,H1TC), C1Z(H1ZA,H1ZB,H1ZC), C3O(H3OA,H3OB,
 H3OC), C76(H76A,H76B,H76C), C78(H78A,H78B,H78C), C84(H84A,H84B,H84C), C87(H87A,
 H87B,H87C), C89(H89A,H89B,H89C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C),
 C105(H10E,H10F,H10G)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1A), C8(H8A), C13(H13A), C14(H14A), C22(H22A), C1A(H1AA), C29(H29A),
 C30(H30A), C32(H32A), C36(H36A), C38(H38A), C39(H39A), C43(H43A), C44(H44A),
 C45(H45A), C46(H46A), C48(H48A), C49(H49A), C50(H50A), C51(H51A), C53(H53A),
 C55(H55A), C57(H57A), C58(H58A), C61(H61A), C63(H63A), C65(H65A), C66(H66A),
 C67(H67A), C1C(H1CA), C1E(H1EA), C1F(H1FA), C1G(H1GA), C1H(H1HA), C1I(H1IA),
 C1J(H1JA), C1K(H1KA), C1L(H1LA), C1M(H1MA), C1N(H1NA), C1O(H1OA), C1P(H1PA),
 C1R(H1RA), C1S(H1SA), C1U(H1UA), C1V(H1VA), C1W(H1WA), C1Y(H1YA), C2B(H2BA),
 C2C(H2CA), C2D(H2DA), C2E(H2EA), C2F(H2FA), C2G(H2GA), C2H(H2HA), C34(H34A),
 C2I(H2IA), C2J(H2JA), C2K(H2KA), C2L(H2LA), C2M(H2MA), C40(H40A), C2N(H2NA),
 C2O(H2OA), C2P(H2PA), C2Q(H2QA), C2R(H2RA), C2S(H2SA), C2T(H2TA), C2U(H2UA),
 C2W(H2WA), C2X(H2XA), C2Y(H2YA), C3A(H3AA), C3B(H3BA), C3C(H3CA), C3E(H3EA),
 C3F(H3FA), C3G(H3GA), C3H(H3HA), C3I(H3IA), C3K(H3KA), C3L(H3LA), C3N(H3NA),
 C70(H70A), C71(H71A), C72(H72A), C79(H79A), C80(H80A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.843621(10) 0.739132(8) 0.614327(7) 0.01633(6) Uani 1 1 d . . .
Dy2 Dy 0.671494(10) 0.243967(8) 0.408217(7) 0.01695(6) Uani 1 1 d . . .
O3 O 0.78196(12) 0.80967(9) 0.63354(10) 0.0218(5) Uani 1 1 d . . .
O14 O 0.68622(13) 0.16544(10) 0.36254(9) 0.0214(5) Uani 1 1 d . . .
O4 O 0.77658(13) 0.78168(10) 0.53574(10) 0.0229(5) Uani 1 1 d . . .
O1 O 0.76318(12) 0.67403(9) 0.56741(9) 0.0210(5) Uani 1 1 d . . .
O2 O 0.80038(12) 0.69392(9) 0.66948(10) 0.0211(5) Uani 1 1 d . . .
O6 O 0.92009(12) 0.66543(10) 0.65067(9) 0.0205(5) Uani 1 1 d . . .
O10 O 0.62591(13) 0.16911(10) 0.43807(10) 0.0237(5) Uani 1 1 d . . .
O12 O 0.62390(13) 0.33068(10) 0.38089(9) 0.0228(5) Uani 1 1 d . . .
O7 O 0.90781(12) 0.81622(9) 0.60784(9) 0.0197(5) Uani 1 1 d . . .
O13 O 0.71571(12) 0.27083(10) 0.34556(9) 0.0195(5) Uani 1 1 d . . .
O8 O 0.91489(13) 0.76516(9) 0.69785(10) 0.0217(5) Uani 1 1 d . . .
O5 O 0.88868(12) 0.70704(9) 0.55444(9) 0.0186(5) Uani 1 1 d . . .
O15 O 0.76545(13) 0.20086(10) 0.46856(9) 0.0222(5) Uani 1 1 d . . .
O11 O 0.63139(13) 0.27310(10) 0.47247(10) 0.0232(5) Uani 1 1 d . . .
O16 O 0.75132(12) 0.31105(10) 0.45667(9) 0.0211(5) Uani 1 1 d . . .
O9 O 0.56838(12) 0.23326(10) 0.33732(9) 0.0214(5) Uani 1 1 d . . .
O17 O 0.26146(18) 0.53482(13) 0.34747(13) 0.0451(8) Uani 1 1 d . . .
O18 O 0.46202(16) 0.39140(13) 0.17152(14) 0.0443(8) Uani 1 1 d . . .
N2 N 0.91913(15) 0.23615(12) 0.40745(12) 0.0209(6) Uani 1 1 d . . .
N1 N 0.59218(17) 0.74865(16) 0.61343(15) 0.0393(9) Uani 1 1 d . . .
C23 C 0.93346(17) 0.81168(14) 0.71755(13) 0.0185(7) Uani 1 1 d . . .
C24 C 0.89373(17) 0.65745(13) 0.54211(13) 0.0176(7) Uani 1 1 d . . .
C25 C 0.70534(17) 0.25395(14) 0.30008(14) 0.0195(7) Uani 1 1 d . . .
C26 C 0.78912(16) 0.64310(14) 0.67214(14) 0.0185(7) Uani 1 1 d . . .
C1 C 0.55159(18) 0.31801(15) 0.29373(14) 0.0228(7) Uani 1 1 d . . .
H1A H 0.5293 0.3357 0.2625 0.027 Uiso 1 1 calc R . .
C2 C 0.67807(17) 0.15900(14) 0.31555(14) 0.0197(7) Uani 1 1 d . . .
C4 C 0.76459(17) 0.85661(14) 0.61319(15) 0.0230(7) Uani 1 1 d . . .
C6 C 0.92942(16) 0.85727(13) 0.63730(14) 0.0188(7) Uani 1 1 d . . .
C7 C 0.76018(17) 0.83163(14) 0.52586(15) 0.0225(7) Uani 1 1 d . . .
C8 C 0.94101(18) 0.85826(14) 0.69032(13) 0.0202(7) Uani 1 1 d . . .
H8A H 0.9542 0.8910 0.7082 0.024 Uiso 1 1 calc R . .
C9 C 0.74510(17) 0.62771(14) 0.57881(14) 0.0199(7) Uani 1 1 d . . .
C10 C 0.62404(18) 0.25152(14) 0.51166(14) 0.0213(7) Uani 1 1 d . . .
C11 C 0.60536(18) 0.40822(14) 0.32760(14) 0.0216(7) Uani 1 1 d . . .
C12 C 0.59315(18) 0.34904(14) 0.33625(14) 0.0208(7) Uani 1 1 d . . .
C13 C 0.68477(18) 0.20093(15) 0.28293(14) 0.0212(7) Uani 1 1 d . . .
H13A H 0.6750 0.1929 0.2482 0.025 Uiso 1 1 calc R . .
C14 C 0.70319(18) 0.60490(14) 0.48509(14) 0.0217(7) Uani 1 1 d . . .
H14A H 0.7292 0.6339 0.4809 0.026 Uiso 1 1 calc R . .
C15 C 0.54256(18) 0.26174(14) 0.29672(14) 0.0201(7) Uani 1 1 d . . .
C16 C 0.62325(17) 0.15686(15) 0.48149(14) 0.0219(7) Uani 1 1 d . . .
C17 C 0.82080(18) 0.16445(15) 0.55205(14) 0.0207(7) Uani 1 1 d . . .
C18 C 0.93919(17) 0.62474(13) 0.63165(14) 0.0180(7) Uani 1 1 d . . .
C19 C 0.74486(18) 0.84918(15) 0.47076(15) 0.0245(8) Uani 1 1 d . . .
C20 C 0.94315(17) 0.90813(14) 0.61175(14) 0.0203(7) Uani 1 1 d . . .
C21 C 0.65944(17) 0.10217(14) 0.29382(14) 0.0208(7) Uani 1 1 d . . .
C22 C 0.92198(17) 0.61654(13) 0.57799(14) 0.0196(7) Uani 1 1 d . . .
H22A H 0.9299 0.5825 0.5664 0.024 Uiso 1 1 calc R . .
C3 C 0.86769(18) 0.19045(14) 0.38642(15) 0.0239(8) Uani 1 1 d . . .
H3A H 0.8444 0.1845 0.4104 0.029 Uiso 1 1 calc R . .
H3B H 0.8341 0.2025 0.3539 0.029 Uiso 1 1 calc R . .
C5 C 0.79628(17) 0.21232(14) 0.51603(14) 0.0201(7) Uani 1 1 d . . .
C1A C 0.98455(19) 0.95067(14) 0.63911(16) 0.0248(8) Uani 1 1 d . . .
H1AA H 1.0043 0.9487 0.6749 0.030 Uiso 1 1 calc R . .
C1B C 0.98257(17) 0.58345(13) 0.66921(13) 0.0190(7) Uani 1 1 d . . .
C27 C 0.86613(18) 0.64533(14) 0.48513(13) 0.0199(7) Uani 1 1 d . . .
C28 C 0.94829(18) 0.25348(15) 0.36677(14) 0.0234(7) Uani 1 1 d . . .
H28A H 0.9894 0.2744 0.3837 0.028 Uiso 1 1 calc R . .
H28B H 0.9610 0.2209 0.3525 0.028 Uiso 1 1 calc R . .
C29 C 0.59747(19) 0.27383(16) 0.59237(14) 0.0259(8) Uani 1 1 d . . .
H29A H 0.6001 0.2369 0.6009 0.031 Uiso 1 1 calc R . .
C30 C 0.97783(19) 0.57930(14) 0.71766(14) 0.0230(7) Uani 1 1 d . . .
H30A H 0.9465 0.6007 0.7255 0.028 Uiso 1 1 calc R . .
C31 C 0.94862(17) 0.81561(14) 0.77490(14) 0.0212(7) Uani 1 1 d . . .
C32 C 0.8559(2) 0.64812(16) 0.76611(15) 0.0272(8) Uani 1 1 d . . .
H32A H 0.8750 0.6800 0.7592 0.033 Uiso 1 1 calc R . .
C33 C 0.61087(18) 0.29046(15) 0.54898(14) 0.0230(7) Uani 1 1 d . . .
C35 C 0.8420(2) 0.09191(17) 0.36049(19) 0.0374(10) Uani 1 1 d . . .
H35A H 0.8032 0.1059 0.3322 0.045 Uiso 1 1 calc R . .
H35B H 0.8596 0.0608 0.3477 0.045 Uiso 1 1 calc R . .
C36 C 0.80840(18) 0.26527(14) 0.53558(14) 0.0222(7) Uani 1 1 d . . .
H36A H 0.8316 0.2699 0.5708 0.027 Uiso 1 1 calc R . .
C37 C 0.78704(17) 0.31220(14) 0.50432(13) 0.0191(7) Uani 1 1 d . . .
C38 C 0.5891(3) 0.3832(2) 0.5685(2) 0.0608(17) Uani 1 1 d . . .
H38A H 0.5863 0.4202 0.5603 0.073 Uiso 1 1 calc R . .
C39 C 0.7782(2) 0.57308(15) 0.73722(15) 0.0268(8) Uani 1 1 d . . .
H39A H 0.7454 0.5541 0.7109 0.032 Uiso 1 1 calc R . .
C41 C 0.70249(18) 0.59343(14) 0.53407(14) 0.0210(7) Uani 1 1 d . . .
C42 C 0.80807(18) 0.36747(14) 0.52815(14) 0.0214(7) Uani 1 1 d . . .
C43 C 0.6612(2) 0.55088(16) 0.53912(16) 0.0310(9) Uani 1 1 d . . .
H43A H 0.6597 0.5427 0.5714 0.037 Uiso 1 1 calc R . .
C44 C 0.50867(19) 0.17453(15) 0.24764(15) 0.0244(8) Uani 1 1 d . . .
H44A H 0.5365 0.1567 0.2773 0.029 Uiso 1 1 calc R . .
C45 C 0.75433(18) 0.86959(14) 0.56207(16) 0.0251(8) Uani 1 1 d . . .
H45A H 0.7430 0.9054 0.5513 0.030 Uiso 1 1 calc R . .
C46 C 0.7682(2) 0.41258(15) 0.50523(15) 0.0271(8) Uani 1 1 d . . .
H46A H 0.7293 0.4079 0.4761 0.033 Uiso 1 1 calc R . .
C47 C 0.5541(3) 0.69777(19) 0.6159(2) 0.0561(16) Uani 1 1 d . . .
H47A H 0.5158 0.6937 0.5838 0.067 Uiso 1 1 calc R . .
H47B H 0.5365 0.7014 0.6436 0.067 Uiso 1 1 calc R . .
C48 C 0.6684(2) 0.43043(16) 0.35710(15) 0.0262(8) Uani 1 1 d . . .
H48A H 0.7003 0.4094 0.3822 0.031 Uiso 1 1 calc R . .
C49 C 0.6661(2) 0.57415(16) 0.44268(15) 0.0279(8) Uani 1 1 d . . .
H49A H 0.6686 0.5816 0.4106 0.034 Uiso 1 1 calc R . .
C50 C 0.7249(2) 0.95086(16) 0.6302(2) 0.0366(10) Uani 1 1 d . . .
H50A H 0.7113 0.9595 0.5953 0.044 Uiso 1 1 calc R . .
C51 C 0.6648(2) 0.08523(15) 0.24747(15) 0.0268(8) Uani 1 1 d . . .
H51A H 0.6806 0.1094 0.2285 0.032 Uiso 1 1 calc R . .
C52 C 0.80670(18) 0.62037(14) 0.72578(14) 0.0206(7) Uani 1 1 d . . .
C53 C 0.62380(19) 0.19465(15) 0.51953(14) 0.0239(7) Uani 1 1 d . . .
H53A H 0.6240 0.1818 0.5511 0.029 Uiso 1 1 calc R . .
C54 C 0.50120(18) 0.23129(15) 0.24849(14) 0.0214(7) Uani 1 1 d . . .
C55 C 0.71854(19) 0.28074(17) 0.21503(15) 0.0272(8) Uani 1 1 d . . .
H55A H 0.7037 0.2463 0.2014 0.033 Uiso 1 1 calc R . .
C56 C 1.0884(2) 0.18471(17) 0.55206(15) 0.0300(8) Uani 1 1 d . . .
H56A H 1.1208 0.1589 0.5732 0.045 Uiso 1 1 calc R . .
H56B H 1.0892 0.2171 0.5717 0.045 Uiso 1 1 calc R . .
H56C H 1.0997 0.1939 0.5226 0.045 Uiso 1 1 calc R . .
C57 C 0.63527(19) 0.06554(15) 0.32102(15) 0.0261(8) Uani 1 1 d . . .
H57A H 0.6307 0.0766 0.3517 0.031 Uiso 1 1 calc R . .
C58 C 0.76217(18) 0.60854(14) 0.62947(14) 0.0208(7) Uani 1 1 d . . .
H58A H 0.7554 0.5719 0.6349 0.025 Uiso 1 1 calc R . .
C59 C 0.97874(17) 0.21748(15) 0.45407(14) 0.0218(7) Uani 1 1 d . . .
H59A H 1.0102 0.2477 0.4658 0.026 Uiso 1 1 calc R . .
H59B H 1.0020 0.1885 0.4433 0.026 Uiso 1 1 calc R . .
C60 C 0.8815(2) 0.38466(15) 0.43242(16) 0.0271(8) Uani 1 1 d . . .
H60A H 0.8690 0.3934 0.3961 0.032 Uiso 1 1 calc R . .
H60B H 0.8400 0.3780 0.4389 0.032 Uiso 1 1 calc R . .
C61 C 0.8642(2) 0.16901(16) 0.60369(15) 0.0300(8) Uani 1 1 d . . .
H61A H 0.8813 0.2031 0.6170 0.036 Uiso 1 1 calc R . .
C62 C 0.72035(17) 0.29386(15) 0.26447(14) 0.0224(7) Uani 1 1 d . . .
C63 C 0.5577(2) 0.44068(15) 0.29093(15) 0.0283(8) Uani 1 1 d . . .
H63A H 0.5156 0.4262 0.2713 0.034 Uiso 1 1 calc R . .
C64 C 0.89656(19) 0.13620(15) 0.37743(17) 0.0281(8) Uani 1 1 d . . .
H64A H 0.9324 0.1248 0.4091 0.034 Uiso 1 1 calc R . .
H64B H 0.9162 0.1408 0.3511 0.034 Uiso 1 1 calc R . .
C65 C 0.8281(2) 0.68593(15) 0.45260(14) 0.0264(8) Uani 1 1 d . . .
H65A H 0.8254 0.7203 0.4659 0.032 Uiso 1 1 calc R . .
C66 C 0.86658(19) 0.37557(16) 0.57179(15) 0.0262(8) Uani 1 1 d . . .
H66A H 0.8937 0.3459 0.5874 0.031 Uiso 1 1 calc R . .
C67 C 0.94137(19) 0.86427(16) 0.79869(15) 0.0263(8) Uani 1 1 d . . .
H67A H 0.9305 0.8964 0.7796 0.032 Uiso 1 1 calc R . .
C68 C 0.88196(18) 0.28279(14) 0.42160(15) 0.0227(7) Uani 1 1 d . . .
H68A H 0.8628 0.2694 0.4462 0.027 Uiso 1 1 calc R . .
H68B H 0.8445 0.2938 0.3908 0.027 Uiso 1 1 calc R . .
C1C C 0.7940(2) 0.67587(18) 0.40042(15) 0.0349(9) Uani 1 1 d . . .
H1CA H 0.7684 0.7034 0.3791 0.042 Uiso 1 1 calc R . .
C1D C 0.75508(18) 0.90014(15) 0.64827(16) 0.0255(8) Uani 1 1 d . . .
C1E C 0.8562(2) 0.07259(17) 0.61640(16) 0.0324(9) Uani 1 1 d . . .
H1EA H 0.8674 0.0422 0.6379 0.039 Uiso 1 1 calc R . .
C1F C 0.72679(19) 0.81024(17) 0.43197(16) 0.0298(8) Uani 1 1 d . . .
H1FA H 0.7244 0.7737 0.4404 0.036 Uiso 1 1 calc R . .
C1G C 0.45695(19) 0.25685(16) 0.20393(15) 0.0265(8) Uani 1 1 d . . .
H1GA H 0.4502 0.2944 0.2038 0.032 Uiso 1 1 calc R . .
C1H C 1.0193(2) 0.54363(15) 0.75447(15) 0.0279(8) Uani 1 1 d . . .
H1HA H 1.0150 0.5407 0.7866 0.034 Uiso 1 1 calc R . .
C1I C 1.02967(19) 0.55140(15) 0.65792(15) 0.0252(8) Uani 1 1 d . . .
H1IA H 1.0329 0.5534 0.6254 0.030 Uiso 1 1 calc R . .
C1J C 0.96673(18) 0.76818(15) 0.80470(14) 0.0243(7) Uani 1 1 d . . .
H1JA H 0.9725 0.7356 0.7895 0.029 Uiso 1 1 calc R . .
C1K C 0.8709(2) 0.59434(16) 0.46415(15) 0.0264(8) Uani 1 1 d . . .
H1KA H 0.8967 0.5668 0.4853 0.032 Uiso 1 1 calc R . .
C1L C 0.7864(2) 0.46433(16) 0.52569(16) 0.0335(9) Uani 1 1 d . . .
H1LA H 0.7596 0.4942 0.5101 0.040 Uiso 1 1 calc R . .
C1M C 0.7386(2) 0.31843(19) 0.18588(17) 0.0363(10) Uani 1 1 d . . .
H1MA H 0.7370 0.3092 0.1530 0.044 Uiso 1 1 calc R . .
C1N C 0.6291(2) 0.00378(17) 0.46465(17) 0.0356(9) Uani 1 1 d . . .
H1NA H 0.6419 -0.0202 0.4438 0.043 Uiso 1 1 calc R . .
C1O C 0.4756(2) 0.14429(16) 0.20351(16) 0.0310(9) Uani 1 1 d . . .
H1OA H 0.4818 0.1067 0.2035 0.037 Uiso 1 1 calc R . .
C1P C 0.6223(2) 0.52069(19) 0.49617(17) 0.0392(10) Uani 1 1 d . . .
H1PA H 0.5944 0.4929 0.4997 0.047 Uiso 1 1 calc R . .
C1Q C 0.61676(18) 0.09653(15) 0.49037(15) 0.0238(8) Uani 1 1 d . . .
C1R C 0.9504(2) 0.86463(17) 0.85106(16) 0.0321(9) Uani 1 1 d . . .
H1RA H 0.9452 0.8971 0.8667 0.039 Uiso 1 1 calc R . .
C1S C 0.7965(2) 0.11285(16) 0.53359(16) 0.0281(8) Uani 1 1 d . . .
H1SA H 0.7681 0.1087 0.4993 0.034 Uiso 1 1 calc R . .
C1T C 0.9183(2) 0.43305(16) 0.46459(17) 0.0353(10) Uani 1 1 d . . .
H1TA H 0.8894 0.4646 0.4559 0.053 Uiso 1 1 calc R . .
H1TB H 0.9589 0.4404 0.4577 0.053 Uiso 1 1 calc R . .
H1TC H 0.9301 0.4248 0.5006 0.053 Uiso 1 1 calc R . .
C1U C 0.8763(2) 0.62860(18) 0.81600(16) 0.0324(9) Uani 1 1 d . . .
H1UA H 0.9096 0.6470 0.8425 0.039 Uiso 1 1 calc R . .
C1V C 0.6361(2) 0.05990(16) 0.46015(16) 0.0305(8) Uani 1 1 d . . .
H1VA H 0.6541 0.0731 0.4364 0.037 Uiso 1 1 calc R . .
C1W C 0.5803(2) 0.31115(17) 0.62302(15) 0.0300(8) Uani 1 1 d . . .
H1WA H 0.5722 0.2992 0.6520 0.036 Uiso 1 1 calc R . .
C1X C 0.9246(2) 0.33280(14) 0.44444(16) 0.0261(8) Uani 1 1 d . . .
H1XA H 0.9603 0.3361 0.4305 0.031 Uiso 1 1 calc R . .
H1XB H 0.9457 0.3285 0.4816 0.031 Uiso 1 1 calc R . .
C1Y C 0.8819(2) 0.12349(18) 0.63511(16) 0.0347(9) Uani 1 1 d . . .
H1YA H 0.9114 0.1271 0.6692 0.042 Uiso 1 1 calc R . .
C1Z C 0.8969(2) 0.23029(19) 0.24519(17) 0.0374(10) Uani 1 1 d . . .
H1ZA H 0.9098 0.2297 0.2154 0.056 Uiso 1 1 calc R . .
H1ZB H 0.8484 0.2272 0.2344 0.056 Uiso 1 1 calc R . .
H1ZC H 0.9179 0.2002 0.2674 0.056 Uiso 1 1 calc R . .
C2A C 1.0176(2) 0.15955(16) 0.53407(15) 0.0275(8) Uani 1 1 d . . .
H2AA H 1.0071 0.1498 0.5642 0.033 Uiso 1 1 calc R . .
H2AB H 1.0179 0.1261 0.5153 0.033 Uiso 1 1 calc R . .
C2B C 0.6177(2) 0.01246(16) 0.30333(16) 0.0312(9) Uani 1 1 d . . .
H2BA H 0.6023 -0.0120 0.3224 0.037 Uiso 1 1 calc R . .
C2C C 0.7502(2) 0.90363(17) 0.45725(17) 0.0327(9) Uani 1 1 d . . .
H2CA H 0.7630 0.9305 0.4826 0.039 Uiso 1 1 calc R . .
C2D C 0.7766(2) 0.88920(16) 0.70070(17) 0.0317(9) Uani 1 1 d . . .
H2DA H 0.7978 0.8561 0.7131 0.038 Uiso 1 1 calc R . .
C2E C 0.5439(2) 0.79519(17) 0.60668(16) 0.0326(9) Uani 1 1 d . . .
H2EA H 0.5001 0.7897 0.6061 0.039 Uiso 1 1 calc R . .
C2F C 0.6073(3) 0.34609(18) 0.53774(18) 0.0439(12) Uani 1 1 d . . .
H2FA H 0.6171 0.3585 0.5095 0.053 Uiso 1 1 calc R . .
C2G C 0.7421(2) 0.34632(15) 0.28346(17) 0.0293(8) Uani 1 1 d . . .
H2GA H 0.7427 0.3563 0.3159 0.035 Uiso 1 1 calc R . .
C2H C 1.0722(2) 0.51628(16) 0.69529(16) 0.0307(9) Uani 1 1 d . . .
H2HA H 1.1042 0.4953 0.6878 0.037 Uiso 1 1 calc R . .
C34 C 1.0669(2) 0.51251(15) 0.74345(15) 0.0293(8) Uani 1 1 d . . .
H34A H 1.0952 0.4891 0.7683 0.035 Uiso 1 1 calc R . .
C2I C 0.4232(2) 0.22661(18) 0.16021(16) 0.0308(9) Uani 1 1 d . . .
H2IA H 0.3936 0.2439 0.1309 0.037 Uiso 1 1 calc R . .
C2J C 0.8472(2) 0.58153(18) 0.82684(15) 0.0318(9) Uani 1 1 d . . .
H2JA H 0.8605 0.5687 0.8606 0.038 Uiso 1 1 calc R . .
C2K C 0.6252(2) 0.53211(18) 0.44796(17) 0.0370(10) Uani 1 1 d . . .
H2KA H 0.5998 0.5116 0.4193 0.044 Uiso 1 1 calc R . .
C2L C 0.7122(2) 0.82448(19) 0.38089(17) 0.0351(9) Uani 1 1 d . . .
H2LA H 0.6993 0.7977 0.3554 0.042 Uiso 1 1 calc R . .
C2M C 0.91443(19) 0.91217(15) 0.55828(15) 0.0254(8) Uani 1 1 d . . .
H2MA H 0.8870 0.8841 0.5393 0.030 Uiso 1 1 calc R . .
C40 C 0.7984(2) 0.55400(16) 0.78744(16) 0.0310(9) Uani 1 1 d . . .
H40A H 0.7790 0.5224 0.7946 0.037 Uiso 1 1 calc R . .
C2N C 0.4331(2) 0.17033(18) 0.15952(17) 0.0340(9) Uani 1 1 d . . .
H2NA H 0.4112 0.1504 0.1296 0.041 Uiso 1 1 calc R . .
C2O C 0.6466(2) 0.03233(16) 0.22937(16) 0.0321(9) Uani 1 1 d . . .
H2OA H 0.6504 0.0214 0.1984 0.039 Uiso 1 1 calc R . .
C2P C 0.5913(2) 0.07583(18) 0.52592(19) 0.0399(11) Uani 1 1 d . . .
H2PA H 0.5787 0.0994 0.5472 0.048 Uiso 1 1 calc R . .
C2Q C 0.6358(2) 0.51599(16) 0.31190(17) 0.0369(10) Uani 1 1 d . . .
H2QA H 0.6463 0.5518 0.3063 0.044 Uiso 1 1 calc R . .
C2R C 0.6833(2) 0.48410(17) 0.34870(17) 0.0342(9) Uani 1 1 d . . .
H2RA H 0.7255 0.4987 0.3679 0.041 Uiso 1 1 calc R . .
C2S C 0.5752(3) 0.36592(19) 0.61083(18) 0.0443(11) Uani 1 1 d . . .
H2SA H 0.5625 0.3909 0.6309 0.053 Uiso 1 1 calc R . .
C2T C 0.7611(2) 0.36968(18) 0.20580(19) 0.0405(11) Uani 1 1 d . . .
H2TA H 0.7750 0.3948 0.1865 0.049 Uiso 1 1 calc R . .
C2U C 0.7980(2) 0.62500(19) 0.38017(16) 0.0374(10) Uani 1 1 d . . .
H2UA H 0.7743 0.6179 0.3453 0.045 Uiso 1 1 calc R . .
C2V C 0.9198(2) 0.28364(17) 0.27423(15) 0.0302(8) Uani 1 1 d . . .
H2VA H 0.8991 0.3139 0.2514 0.036 Uiso 1 1 calc R . .
H2VB H 0.9686 0.2870 0.2843 0.036 Uiso 1 1 calc R . .
C2W C 0.7152(2) 0.98826(18) 0.6648(2) 0.0455(12) Uani 1 1 d . . .
H2WA H 0.6949 1.0218 0.6527 0.055 Uiso 1 1 calc R . .
C2X C 0.6232(2) -0.00390(16) 0.25690(17) 0.0316(9) Uani 1 1 d . . .
H2XA H 0.6110 -0.0392 0.2446 0.038 Uiso 1 1 calc R . .
C2Y C 0.8446(2) 0.47197(16) 0.56942(17) 0.0333(9) Uani 1 1 d . . .
H2YA H 0.8564 0.5067 0.5833 0.040 Uiso 1 1 calc R . .
C2Z C 0.90096(19) 0.28730(16) 0.32254(15) 0.0270(8) Uani 1 1 d . . .
H2ZA H 0.9029 0.3252 0.3333 0.032 Uiso 1 1 calc R . .
H2ZB H 0.8548 0.2745 0.3142 0.032 Uiso 1 1 calc R . .
C3A C 0.8846(2) 0.42767(17) 0.59198(16) 0.0320(9) Uani 1 1 d . . .
H3AA H 0.9238 0.4327 0.6209 0.038 Uiso 1 1 calc R . .
C3B C 0.9670(2) 0.99958(16) 0.56032(18) 0.0336(9) Uani 1 1 d . . .
H3BA H 0.9746 1.0302 0.5433 0.040 Uiso 1 1 calc R . .
C3C C 0.8371(2) 0.58478(17) 0.41169(16) 0.0333(9) Uani 1 1 d . . .
H3CA H 0.8410 0.5509 0.3978 0.040 Uiso 1 1 calc R . .
C3D C 0.96141(19) 0.19701(15) 0.49939(15) 0.0257(8) Uani 1 1 d . . .
H3DA H 0.9189 0.1771 0.4867 0.031 Uiso 1 1 calc R . .
H3DB H 0.9558 0.2279 0.5194 0.031 Uiso 1 1 calc R . .
C3E C 0.5843(3) 0.01959(19) 0.5300(2) 0.0534(15) Uani 1 1 d . . .
H3EA H 0.5662 0.0060 0.5536 0.064 Uiso 1 1 calc R . .
C3F C 0.7363(2) 0.91747(18) 0.40549(19) 0.0395(10) Uani 1 1 d . . .
H3FA H 0.7405 0.9536 0.3968 0.047 Uiso 1 1 calc R . .
C3G C 0.9262(2) 0.95767(16) 0.53270(17) 0.0310(9) Uani 1 1 d . . .
H3GA H 0.9065 0.9599 0.4969 0.037 Uiso 1 1 calc R . .
C3H C 0.7629(2) 0.38345(17) 0.25467(19) 0.0383(10) Uani 1 1 d . . .
H3HA H 0.7780 0.4178 0.2682 0.046 Uiso 1 1 calc R . .
C3I C 0.7673(3) 0.92668(19) 0.7352(2) 0.0449(12) Uani 1 1 d . . .
H3IA H 0.7822 0.9188 0.7703 0.054 Uiso 1 1 calc R . .
C3J C 0.6191(2) 0.7471(2) 0.56940(18) 0.0438(12) Uani 1 1 d . . .
H3JA H 0.6379 0.7826 0.5667 0.053 Uiso 1 1 calc R . .
H3JB H 0.6557 0.7206 0.5777 0.053 Uiso 1 1 calc R . .
C3K C 0.9966(2) 0.99580(16) 0.61357(18) 0.0336(9) Uani 1 1 d . . .
H3KA H 1.0247 1.0237 0.6323 0.040 Uiso 1 1 calc R . .
C3L C 0.9762(2) 0.76930(17) 0.85689(16) 0.0306(8) Uani 1 1 d . . .
H3LA H 0.9888 0.7376 0.8766 0.037 Uiso 1 1 calc R . .
C3M C 0.5881(2) 0.7513(2) 0.47364(18) 0.0406(11) Uani 1 1 d . . .
H3MA H 0.5625 0.7312 0.4425 0.049 Uiso 1 1 calc R . .
H3MB H 0.6358 0.7429 0.4822 0.049 Uiso 1 1 calc R . .
C3N C 0.5728(2) 0.49460(16) 0.28350(16) 0.0352(10) Uani 1 1 d . . .
H3NA H 0.5405 0.5163 0.2594 0.042 Uiso 1 1 calc R . .
C3O C 0.8188(3) 0.07297(18) 0.4030(2) 0.0515(14) Uani 1 1 d . . .
H3OA H 0.7845 0.0455 0.3899 0.077 Uiso 1 1 calc R . .
H3OB H 0.8006 0.1034 0.4156 0.077 Uiso 1 1 calc R . .
H3OC H 0.8567 0.0580 0.4307 0.077 Uiso 1 1 calc R . .
C69 C 0.6399(2) 0.7533(2) 0.7133(2) 0.0529(14) Uani 1 1 d . . .
H69A H 0.6392 0.7155 0.7236 0.064 Uiso 1 1 calc R . .
H69B H 0.5957 0.7691 0.7078 0.064 Uiso 1 1 calc R . .
C70 C 0.7167(2) 0.87854(19) 0.36757(18) 0.0378(10) Uani 1 1 d . . .
H70A H 0.7065 0.8882 0.3332 0.045 Uiso 1 1 calc R . .
C71 C 0.6035(2) -0.01601(18) 0.49980(19) 0.0426(11) Uani 1 1 d . . .
H71A H 0.5991 -0.0535 0.5032 0.051 Uiso 1 1 calc R . .
C72 C 0.9669(2) 0.81753(18) 0.87968(16) 0.0327(9) Uani 1 1 d . . .
H72A H 0.9718 0.8179 0.9143 0.039 Uiso 1 1 calc R . .
C74 C 0.5661(2) 0.7325(2) 0.51774(19) 0.0432(11) Uani 1 1 d . . .
H74A H 0.5234 0.7497 0.5144 0.052 Uiso 1 1 calc R . .
H74B H 0.5593 0.6932 0.5157 0.052 Uiso 1 1 calc R . .
C76 C 0.5259(3) 0.4535(2) 0.1423(3) 0.0655(17) Uani 1 1 d . . .
H76A H 0.4891 0.4779 0.1394 0.098 Uiso 1 1 calc R . .
H76B H 0.5299 0.4495 0.1091 0.098 Uiso 1 1 calc R . .
H76C H 0.5674 0.4683 0.1664 0.098 Uiso 1 1 calc R . .
C78 C 0.5108(3) 0.5834(2) 0.5922(3) 0.0617(15) Uani 1 1 d . . .
H78A H 0.4909 0.5508 0.5996 0.093 Uiso 1 1 calc R . .
H78B H 0.5252 0.5769 0.5636 0.093 Uiso 1 1 calc R . .
H78C H 0.4779 0.6124 0.5836 0.093 Uiso 1 1 calc R . .
C79 C 0.7351(3) 0.97626(18) 0.7165(2) 0.0461(13) Uani 1 1 d . . .
H79A H 0.7273 1.0011 0.7390 0.055 Uiso 1 1 calc R . .
C80 C 0.8138(2) 0.06753(17) 0.56540(17) 0.0341(9) Uani 1 1 d . . .
H80A H 0.7967 0.0334 0.5524 0.041 Uiso 1 1 calc R . .
C81 C 0.5125(2) 0.39890(17) 0.16097(16) 0.0333(9) Uani 1 1 d . . .
C82 C 0.5696(4) 0.8515(2) 0.6008(3) 0.088(3) Uani 1 1 d . . .
H82A H 0.6179 0.8530 0.6204 0.106 Uiso 1 1 calc R . .
H82B H 0.5630 0.8572 0.5647 0.106 Uiso 1 1 calc R . .
C84 C 0.5769(2) 0.8126(2) 0.46319(18) 0.0443(11) Uani 1 1 d . . .
H84A H 0.5914 0.8227 0.4354 0.066 Uiso 1 1 calc R . .
H84B H 0.6028 0.8326 0.4937 0.066 Uiso 1 1 calc R . .
H84C H 0.5296 0.8209 0.4539 0.066 Uiso 1 1 calc R . .
C85 C 0.5358(3) 0.8973(2) 0.6182(2) 0.072(2) Uani 1 1 d . . .
H85A H 0.5440 0.9313 0.6034 0.086 Uiso 1 1 calc R . .
H85B H 0.4872 0.8910 0.6052 0.086 Uiso 1 1 calc R . .
C86 C 0.2185(3) 0.5686(2) 0.32916(19) 0.0452(12) Uani 1 1 d . . .
C87 C 0.2314(3) 0.6285(2) 0.3425(3) 0.0669(18) Uani 1 1 d . . .
H87A H 0.2767 0.6331 0.3670 0.100 Uiso 1 1 calc R . .
H87B H 0.1994 0.6415 0.3572 0.100 Uiso 1 1 calc R . .
H87C H 0.2261 0.6489 0.3117 0.100 Uiso 1 1 calc R . .
C89 C 0.5648(3) 0.3551(2) 0.1669(2) 0.0511(13) Uani 1 1 d . . .
H89A H 0.5507 0.3220 0.1787 0.077 Uiso 1 1 calc R . .
H89B H 0.6076 0.3666 0.1916 0.077 Uiso 1 1 calc R . .
H89C H 0.5693 0.3487 0.1342 0.077 Uiso 1 1 calc R . .
C90 C 0.1500(3) 0.5536(4) 0.2917(2) 0.086(2) Uani 1 1 d . . .
H90A H 0.1478 0.5148 0.2862 0.129 Uiso 1 1 calc R . .
H90B H 0.1419 0.5720 0.2596 0.129 Uiso 1 1 calc R . .
H90C H 0.1161 0.5643 0.3054 0.129 Uiso 1 1 calc R . .
C91 C 0.7638(3) 0.7619(2) 0.7708(2) 0.0488(12) Uani 1 1 d . . .
H91A H 0.7974 0.7819 0.7977 0.073 Uiso 1 1 calc R . .
H91B H 0.7750 0.7621 0.7403 0.073 Uiso 1 1 calc R . .
H91C H 0.7625 0.7248 0.7819 0.073 Uiso 1 1 calc R . .
C92 C 0.6535(3) 0.7555(4) 0.6626(2) 0.087(3) Uani 1 1 d . . .
H92A H 0.6746 0.7904 0.6610 0.104 Uiso 1 1 calc R . .
H92B H 0.6860 0.7272 0.6636 0.104 Uiso 1 1 calc R . .
C103 C 0.5976(5) 0.6471(3) 0.6251(3) 0.101(3) Uani 1 1 d . . .
H10A H 0.6089 0.6405 0.5947 0.121 Uiso 1 1 calc R . .
H10B H 0.6398 0.6541 0.6537 0.121 Uiso 1 1 calc R . .
C104 C 0.6983(3) 0.7868(3) 0.7597(2) 0.0609(15) Uani 1 1 d . . .
H10C H 0.6998 0.8245 0.7493 0.073 Uiso 1 1 calc R . .
H10D H 0.6870 0.7867 0.7906 0.073 Uiso 1 1 calc R . .
C105 C 0.5593(6) 0.9025(3) 0.6727(3) 0.133(4) Uani 1 1 d . . .
H10E H 0.5352 0.9315 0.6819 0.199 Uiso 1 1 calc R . .
H10F H 0.6070 0.9107 0.6857 0.199 Uiso 1 1 calc R . .
H10G H 0.5518 0.8689 0.6876 0.199 Uiso 1 1 calc R . .
C113 C 0.5677(4) 0.5985(3) 0.6363(3) 0.086(2) Uani 1 1 d . . .
H11A H 0.6007 0.5692 0.6454 0.104 Uiso 1 1 calc R . .
H11B H 0.5534 0.6050 0.6653 0.104 Uiso 1 1 calc R . .


_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 O3 2.338(2) . ?
Dy1 O4 2.370(2) . ?
Dy1 O1 2.350(2) . ?
Dy1 O2 2.327(2) . ?
Dy1 O6 2.389(2) . ?
Dy1 O7 2.368(2) . ?
Dy1 O8 2.351(2) . ?
Dy1 O5 2.331(2) . ?
Dy2 O14 2.384(2) . ?
Dy2 O10 2.356(2) . ?
Dy2 O12 2.354(2) . ?
Dy2 O13 2.347(2) . ?
Dy2 O15 2.336(2) . ?
Dy2 O11 2.346(2) . ?
Dy2 O16 2.390(2) . ?
Dy2 O9 2.364(3) . ?
O3 C4 1.274(4) . ?
O14 C2 1.263(4) . ?
O4 C7 1.273(4) . ?
O1 C9 1.272(4) . ?
O2 C26 1.274(4) . ?
O6 C18 1.260(4) . ?
O10 C16 1.263(4) . ?
O12 C12 1.256(4) . ?
O7 C6 1.271(4) . ?
O13 C25 1.270(4) . ?
O8 C23 1.263(4) . ?
O5 C24 1.276(4) . ?
O15 C5 1.273(4) . ?
O11 C10 1.269(4) . ?
O16 C37 1.264(4) . ?
O9 C15 1.269(4) . ?
O17 C86 1.197(6) . ?
O18 C81 1.218(5) . ?
N2 C3 1.522(4) . ?
N2 C28 1.529(5) . ?
N2 C59 1.514(5) . ?
N2 C68 1.516(4) . ?
N1 C47 1.498(6) . ?
N1 C2E 1.494(6) . ?
N1 C3J 1.524(6) . ?
N1 C92 1.514(7) . ?
C23 C8 1.408(5) . ?
C23 C31 1.509(5) . ?
C24 C22 1.386(5) . ?
C24 C27 1.505(5) . ?
C25 C13 1.396(5) . ?
C25 C62 1.503(5) . ?
C26 C52 1.505(5) . ?
C26 C58 1.398(5) . ?
C1 H1A 0.9300 . ?
C1 C12 1.412(5) . ?
C1 C15 1.397(5) . ?
C2 C13 1.409(5) . ?
C2 C21 1.510(5) . ?
C4 C45 1.393(5) . ?
C4 C1D 1.505(5) . ?
C6 C8 1.402(5) . ?
C6 C20 1.512(5) . ?
C7 C19 1.507(5) . ?
C7 C45 1.407(5) . ?
C8 H8A 0.9300 . ?
C9 C41 1.500(5) . ?
C9 C58 1.401(5) . ?
C10 C33 1.506(5) . ?
C10 C53 1.409(5) . ?
C11 C12 1.506(5) . ?
C11 C48 1.398(5) . ?
C11 C63 1.393(5) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C14 C41 1.394(5) . ?
C14 C49 1.378(5) . ?
C15 C54 1.505(5) . ?
C16 C53 1.401(5) . ?
C16 C1Q 1.511(5) . ?
C17 C5 1.506(5) . ?
C17 C61 1.400(5) . ?
C17 C1S 1.390(5) . ?
C18 C22 1.414(5) . ?
C18 C1B 1.503(5) . ?
C19 C1F 1.385(6) . ?
C19 C2C 1.400(5) . ?
C20 C1A 1.395(5) . ?
C20 C2M 1.390(5) . ?
C21 C51 1.395(5) . ?
C21 C57 1.384(5) . ?
C22 H22A 0.9300 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C64 1.519(5) . ?
C5 C36 1.393(5) . ?
C1A H1AA 0.9300 . ?
C1A C3K 1.385(5) . ?
C1B C30 1.388(5) . ?
C1B C1I 1.389(5) . ?
C27 C65 1.388(5) . ?
C27 C1K 1.396(5) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C2Z 1.518(5) . ?
C29 H29A 0.9300 . ?
C29 C33 1.394(5) . ?
C29 C1W 1.383(5) . ?
C30 H30A 0.9300 . ?
C30 C1H 1.388(5) . ?
C31 C67 1.397(5) . ?
C31 C1J 1.396(5) . ?
C32 H32A 0.9300 . ?
C32 C52 1.398(5) . ?
C32 C1U 1.379(6) . ?
C33 C2F 1.393(6) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C64 1.527(5) . ?
C35 C3O 1.506(7) . ?
C36 H36A 0.9300 . ?
C36 C37 1.412(5) . ?
C37 C42 1.501(5) . ?
C38 H38A 0.9300 . ?
C38 C2F 1.392(6) . ?
C38 C2S 1.378(7) . ?
C39 H39A 0.9300 . ?
C39 C52 1.393(5) . ?
C39 C40 1.383(5) . ?
C41 C43 1.398(5) . ?
C42 C46 1.395(5) . ?
C42 C66 1.397(5) . ?
C43 H43A 0.9300 . ?
C43 C1P 1.391(6) . ?
C44 H44A 0.9300 . ?
C44 C54 1.399(5) . ?
C44 C1O 1.385(5) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C46 C1L 1.385(5) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C47 C103 1.509(7) . ?
C48 H48A 0.9300 . ?
C48 C2R 1.390(6) . ?
C49 H49A 0.9300 . ?
C49 C2K 1.385(6) . ?
C50 H50A 0.9300 . ?
C50 C1D 1.403(5) . ?
C50 C2W 1.395(6) . ?
C51 H51A 0.9300 . ?
C51 C2O 1.392(5) . ?
C53 H53A 0.9300 . ?
C54 C1G 1.400(5) . ?
C55 H55A 0.9300 . ?
C55 C62 1.397(5) . ?
C55 C1M 1.391(5) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C56 C2A 1.524(5) . ?
C57 H57A 0.9300 . ?
C57 C2B 1.391(5) . ?
C58 H58A 0.9300 . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C3D 1.517(5) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C60 C1T 1.518(5) . ?
C60 C1X 1.527(5) . ?
C61 H61A 0.9300 . ?
C61 C1Y 1.381(5) . ?
C62 C2G 1.401(5) . ?
C63 H63A 0.9300 . ?
C63 C3N 1.390(5) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 H65A 0.9300 . ?
C65 C1C 1.387(6) . ?
C66 H66A 0.9300 . ?
C66 C3A 1.390(5) . ?
C67 H67A 0.9300 . ?
C67 C1R 1.397(6) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C68 C1X 1.516(5) . ?
C1C H1CA 0.9300 . ?
C1C C2U 1.381(6) . ?
C1D C2D 1.385(6) . ?
C1E H1EA 0.9300 . ?
C1E C1Y 1.383(6) . ?
C1E C80 1.381(6) . ?
C1F H1FA 0.9300 . ?
C1F C2L 1.383(6) . ?
C1G H1GA 0.9300 . ?
C1G C2I 1.380(6) . ?
C1H H1HA 0.9300 . ?
C1H C34 1.381(6) . ?
C1I H1IA 0.9300 . ?
C1I C2H 1.396(5) . ?
C1J H1JA 0.9300 . ?
C1J C3L 1.389(6) . ?
C1K H1KA 0.9300 . ?
C1K C3C 1.391(6) . ?
C1L H1LA 0.9300 . ?
C1L C2Y 1.393(6) . ?
C1M H1MA 0.9300 . ?
C1M C2T 1.384(7) . ?
C1N H1NA 0.9300 . ?
C1N C1V 1.392(6) . ?
C1N C71 1.365(6) . ?
C1O H1OA 0.9300 . ?
C1O C2N 1.382(6) . ?
C1P H1PA 0.9300 . ?
C1P C2K 1.390(6) . ?
C1Q C1V 1.387(5) . ?
C1Q C2P 1.381(5) . ?
C1R H1RA 0.9300 . ?
C1R C72 1.372(6) . ?
C1S H1SA 0.9300 . ?
C1S C80 1.382(5) . ?
C1T H1TA 0.9600 . ?
C1T H1TB 0.9600 . ?
C1T H1TC 0.9600 . ?
C1U H1UA 0.9300 . ?
C1U C2J 1.389(6) . ?
C1V H1VA 0.9300 . ?
C1W H1WA 0.9300 . ?
C1W C2S 1.377(6) . ?
C1X H1XA 0.9700 . ?
C1X H1XB 0.9700 . ?
C1Y H1YA 0.9300 . ?
C1Z H1ZA 0.9600 . ?
C1Z H1ZB 0.9600 . ?
C1Z H1ZC 0.9600 . ?
C1Z C2V 1.519(6) . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C2A C3D 1.534(5) . ?
C2B H2BA 0.9300 . ?
C2B C2X 1.394(6) . ?
C2C H2CA 0.9300 . ?
C2C C3F 1.400(6) . ?
C2D H2DA 0.9300 . ?
C2D C3I 1.390(6) . ?
C2E H2EA 0.9300 . ?
C2E C82 1.512(6) . ?
C2F H2FA 0.9300 . ?
C2G H2GA 0.9300 . ?
C2G C3H 1.382(6) . ?
C2H H2HA 0.9300 . ?
C2H C34 1.385(6) . ?
C34 H34A 0.9300 . ?
C2I H2IA 0.9300 . ?
C2I C2N 1.394(6) . ?
C2J H2JA 0.9300 . ?
C2J C40 1.377(6) . ?
C2K H2KA 0.9300 . ?
C2L H2LA 0.9300 . ?
C2L C70 1.386(6) . ?
C2M H2MA 0.9300 . ?
C2M C3G 1.391(5) . ?
C40 H40A 0.9300 . ?
C2N H2NA 0.9300 . ?
C2O H2OA 0.9300 . ?
C2O C2X 1.375(6) . ?
C2P H2PA 0.9300 . ?
C2P C3E 1.393(6) . ?
C2Q H2QA 0.9300 . ?
C2Q C2R 1.386(6) . ?
C2Q C3N 1.381(6) . ?
C2R H2RA 0.9300 . ?
C2S H2SA 0.9300 . ?
C2T H2TA 0.9300 . ?
C2T C3H 1.386(7) . ?
C2U H2UA 0.9300 . ?
C2U C3C 1.377(6) . ?
C2V H2VA 0.9700 . ?
C2V H2VB 0.9700 . ?
C2V C2Z 1.534(5) . ?
C2W H2WA 0.9300 . ?
C2W C79 1.374(8) . ?
C2X H2XA 0.9300 . ?
C2Y H2YA 0.9300 . ?
C2Y C3A 1.378(6) . ?
C2Z H2ZA 0.9700 . ?
C2Z H2ZB 0.9700 . ?
C3A H3AA 0.9300 . ?
C3B H3BA 0.9300 . ?
C3B C3G 1.381(6) . ?
C3B C3K 1.385(6) . ?
C3C H3CA 0.9300 . ?
C3D H3DA 0.9700 . ?
C3D H3DB 0.9700 . ?
C3E H3EA 0.9300 . ?
C3E C71 1.369(7) . ?
C3F H3FA 0.9300 . ?
C3F C70 1.368(7) . ?
C3G H3GA 0.9300 . ?
C3H H3HA 0.9300 . ?
C3I H3IA 0.9300 . ?
C3I C79 1.395(7) . ?
C3J H3JA 0.9700 . ?
C3J H3JB 0.9700 . ?
C3J C74 1.509(7) . ?
C3K H3KA 0.9300 . ?
C3L H3LA 0.9300 . ?
C3L C72 1.387(6) . ?
C3M H3MA 0.9700 . ?
C3M H3MB 0.9700 . ?
C3M C74 1.528(6) . ?
C3M C84 1.530(7) . ?
C3N H3NA 0.9300 . ?
C3O H3OA 0.9600 . ?
C3O H3OB 0.9600 . ?
C3O H3OC 0.9600 . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C69 C92 1.536(7) . ?
C69 C104 1.646(8) . ?
C70 H70A 0.9300 . ?
C71 H71A 0.9300 . ?
C72 H72A 0.9300 . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C76 C81 1.498(6) . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C78 C113 1.419(10) . ?
C79 H79A 0.9300 . ?
C80 H80A 0.9300 . ?
C81 C89 1.506(6) . ?
C82 H82A 0.9700 . ?
C82 H82B 0.9700 . ?
C82 C85 1.499(9) . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C85 C105 1.420(10) . ?
C86 C87 1.511(7) . ?
C86 C90 1.492(8) . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C91 C104 1.439(8) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C103 H10A 0.9700 . ?
C103 H10B 0.9700 . ?
C103 C113 1.433(9) . ?
C104 H10C 0.9700 . ?
C104 H10D 0.9700 . ?
C105 H10E 0.9600 . ?
C105 H10F 0.9600 . ?
C105 H10G 0.9600 . ?
C113 H11A 0.9700 . ?
C113 H11B 0.9700 . ?

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
O3 Dy1 O4 71.86(9) . . ?
O3 Dy1 O1 106.02(8) . . ?
O3 Dy1 O6 144.01(8) . . ?
O3 Dy1 O7 79.10(8) . . ?
O3 Dy1 O8 77.64(9) . . ?
O4 Dy1 O6 143.98(8) . . ?
O1 Dy1 O4 73.49(8) . . ?
O1 Dy1 O6 88.02(8) . . ?
O1 Dy1 O7 144.82(8) . . ?
O1 Dy1 O8 143.85(8) . . ?
O2 Dy1 O3 79.46(8) . . ?
O2 Dy1 O4 124.64(9) . . ?
O2 Dy1 O1 70.43(8) . . ?
O2 Dy1 O6 74.31(8) . . ?
O2 Dy1 O7 143.20(8) . . ?
O2 Dy1 O8 75.15(9) . . ?
O2 Dy1 O5 131.92(8) . . ?
O7 Dy1 O4 75.41(8) . . ?
O7 Dy1 O6 108.37(8) . . ?
O8 Dy1 O4 138.21(8) . . ?
O8 Dy1 O6 72.16(8) . . ?
O8 Dy1 O7 71.27(8) . . ?
O5 Dy1 O3 144.76(8) . . ?
O5 Dy1 O4 75.75(8) . . ?
O5 Dy1 O1 77.08(8) . . ?
O5 Dy1 O6 70.02(8) . . ?
O5 Dy1 O7 79.70(8) . . ?
O5 Dy1 O8 120.91(9) . . ?
O14 Dy2 O16 130.69(8) . . ?
O10 Dy2 O14 73.07(8) . . ?
O10 Dy2 O16 129.17(8) . . ?
O10 Dy2 O9 80.54(8) . . ?
O12 Dy2 O14 132.70(8) . . ?
O12 Dy2 O10 129.29(9) . . ?
O12 Dy2 O16 72.20(9) . . ?
O12 Dy2 O9 70.96(9) . . ?
O13 Dy2 O14 70.61(8) . . ?
O13 Dy2 O10 143.31(8) . . ?
O13 Dy2 O12 75.32(8) . . ?
O13 Dy2 O16 80.53(8) . . ?
O13 Dy2 O9 84.73(8) . . ?
O15 Dy2 O14 77.10(8) . . ?
O15 Dy2 O10 75.29(9) . . ?
O15 Dy2 O12 142.35(9) . . ?
O15 Dy2 O13 101.26(8) . . ?
O15 Dy2 O11 92.23(9) . . ?
O15 Dy2 O16 70.28(9) . . ?
O15 Dy2 O9 146.68(8) . . ?
O11 Dy2 O14 143.33(8) . . ?
O11 Dy2 O10 70.28(9) . . ?
O11 Dy2 O12 75.01(8) . . ?
O11 Dy2 O13 145.97(8) . . ?
O11 Dy2 O16 74.85(8) . . ?
O11 Dy2 O9 100.90(9) . . ?
O9 Dy2 O14 74.11(9) . . ?
O9 Dy2 O16 142.69(8) . . ?
C4 O3 Dy1 131.3(2) . . ?
C2 O14 Dy2 130.9(2) . . ?
C7 O4 Dy1 130.2(2) . . ?
C9 O1 Dy1 133.5(2) . . ?
C26 O2 Dy1 128.9(2) . . ?
C18 O6 Dy1 133.6(2) . . ?
C16 O10 Dy2 133.3(2) . . ?
C12 O12 Dy2 130.5(2) . . ?
C6 O7 Dy1 131.5(2) . . ?
C25 O13 Dy2 132.4(2) . . ?
C23 O8 Dy1 131.3(2) . . ?
C24 O5 Dy1 127.4(2) . . ?
C5 O15 Dy2 128.9(2) . . ?
C10 O11 Dy2 135.7(2) . . ?
C37 O16 Dy2 129.6(2) . . ?
C15 O9 Dy2 130.5(2) . . ?
C3 N2 C28 110.1(3) . . ?
C59 N2 C3 111.4(3) . . ?
C59 N2 C28 106.4(3) . . ?
C59 N2 C68 110.8(3) . . ?
C68 N2 C3 106.7(3) . . ?
C68 N2 C28 111.6(3) . . ?
C47 N1 C3J 112.2(4) . . ?
C47 N1 C92 110.4(5) . . ?
C2E N1 C47 106.6(3) . . ?
C2E N1 C3J 110.7(3) . . ?
C2E N1 C92 110.6(5) . . ?
C92 N1 C3J 106.3(3) . . ?
O8 C23 C8 125.1(3) . . ?
O8 C23 C31 115.4(3) . . ?
C8 C23 C31 119.5(3) . . ?
O5 C24 C22 123.4(3) . . ?
O5 C24 C27 115.6(3) . . ?
C22 C24 C27 121.0(3) . . ?
O13 C25 C13 124.2(3) . . ?
O13 C25 C62 116.2(3) . . ?
C13 C25 C62 119.6(3) . . ?
O2 C26 C52 115.7(3) . . ?
O2 C26 C58 124.7(3) . . ?
C58 C26 C52 119.6(3) . . ?
C12 C1 H1A 118.7 . . ?
C15 C1 H1A 118.7 . . ?
C15 C1 C12 122.5(3) . . ?
O14 C2 C13 124.4(3) . . ?
O14 C2 C21 116.5(3) . . ?
C13 C2 C21 119.1(3) . . ?
O3 C4 C45 124.8(3) . . ?
O3 C4 C1D 115.8(3) . . ?
C45 C4 C1D 119.3(3) . . ?
O7 C6 C8 125.1(3) . . ?
O7 C6 C20 115.7(3) . . ?
C8 C6 C20 119.2(3) . . ?
O4 C7 C19 115.7(3) . . ?
O4 C7 C45 124.6(3) . . ?
C45 C7 C19 119.7(3) . . ?
C23 C8 H8A 118.7 . . ?
C6 C8 C23 122.6(3) . . ?
C6 C8 H8A 118.7 . . ?
O1 C9 C41 115.9(3) . . ?
O1 C9 C58 123.8(3) . . ?
C58 C9 C41 120.3(3) . . ?
O11 C10 C33 115.9(3) . . ?
O11 C10 C53 123.6(3) . . ?
C53 C10 C33 120.4(3) . . ?
C48 C11 C12 117.6(3) . . ?
C63 C11 C12 123.0(3) . . ?
C63 C11 C48 119.4(3) . . ?
O12 C12 C1 125.2(3) . . ?
O12 C12 C11 116.4(3) . . ?
C1 C12 C11 118.4(3) . . ?
C25 C13 C2 123.3(3) . . ?
C25 C13 H13A 118.4 . . ?
C2 C13 H13A 118.4 . . ?
C41 C14 H14A 119.3 . . ?
C49 C14 H14A 119.3 . . ?
C49 C14 C41 121.3(3) . . ?
O9 C15 C1 124.8(3) . . ?
O9 C15 C54 116.3(3) . . ?
C1 C15 C54 118.9(3) . . ?
O10 C16 C53 124.9(3) . . ?
O10 C16 C1Q 115.2(3) . . ?
C53 C16 C1Q 119.9(3) . . ?
C61 C17 C5 124.0(3) . . ?
C1S C17 C5 118.0(3) . . ?
C1S C17 C61 117.9(3) . . ?
O6 C18 C22 123.7(3) . . ?
O6 C18 C1B 116.6(3) . . ?
C22 C18 C1B 119.7(3) . . ?
C1F C19 C7 119.4(3) . . ?
C1F C19 C2C 118.2(4) . . ?
C2C C19 C7 122.3(4) . . ?
C1A C20 C6 123.2(3) . . ?
C2M C20 C6 118.4(3) . . ?
C2M C20 C1A 118.3(3) . . ?
C51 C21 C2 123.1(3) . . ?
C57 C21 C2 118.2(3) . . ?
C57 C21 C51 118.7(3) . . ?
C24 C22 C18 122.3(3) . . ?
C24 C22 H22A 118.8 . . ?
C18 C22 H22A 118.8 . . ?
N2 C3 H3A 108.4 . . ?
N2 C3 H3B 108.4 . . ?
H3A C3 H3B 107.4 . . ?
C64 C3 N2 115.6(3) . . ?
C64 C3 H3A 108.4 . . ?
C64 C3 H3B 108.4 . . ?
O15 C5 C17 116.2(3) . . ?
O15 C5 C36 124.2(3) . . ?
C36 C5 C17 119.6(3) . . ?
C20 C1A H1AA 119.6 . . ?
C3K C1A C20 120.8(4) . . ?
C3K C1A H1AA 119.6 . . ?
C30 C1B C18 118.8(3) . . ?
C30 C1B C1I 119.1(3) . . ?
C1I C1B C18 122.0(3) . . ?
C65 C27 C24 117.1(3) . . ?
C65 C27 C1K 118.8(3) . . ?
C1K C27 C24 123.8(3) . . ?
N2 C28 H28A 108.5 . . ?
N2 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
C2Z C28 N2 115.2(3) . . ?
C2Z C28 H28A 108.5 . . ?
C2Z C28 H28B 108.5 . . ?
C33 C29 H29A 119.4 . . ?
C1W C29 H29A 119.4 . . ?
C1W C29 C33 121.3(4) . . ?
C1B C30 H30A 119.6 . . ?
C1B C30 C1H 120.8(3) . . ?
C1H C30 H30A 119.6 . . ?
C67 C31 C23 122.4(3) . . ?
C1J C31 C23 118.7(3) . . ?
C1J C31 C67 118.8(3) . . ?
C52 C32 H32A 119.7 . . ?
C1U C32 H32A 119.7 . . ?
C1U C32 C52 120.5(4) . . ?
C29 C33 C10 123.8(3) . . ?
C2F C33 C10 118.2(3) . . ?
C2F C33 C29 117.9(4) . . ?
H35A C35 H35B 107.7 . . ?
C64 C35 H35A 108.8 . . ?
C64 C35 H35B 108.8 . . ?
C3O C35 H35A 108.8 . . ?
C3O C35 H35B 108.8 . . ?
C3O C35 C64 113.6(4) . . ?
C5 C36 H36A 118.5 . . ?
C5 C36 C37 123.0(3) . . ?
C37 C36 H36A 118.5 . . ?
O16 C37 C36 124.2(3) . . ?
O16 C37 C42 116.8(3) . . ?
C36 C37 C42 119.0(3) . . ?
C2F C38 H38A 119.5 . . ?
C2S C38 H38A 119.5 . . ?
C2S C38 C2F 121.0(4) . . ?
C52 C39 H39A 119.7 . . ?
C40 C39 H39A 119.7 . . ?
C40 C39 C52 120.6(4) . . ?
C14 C41 C9 118.7(3) . . ?
C14 C41 C43 118.4(3) . . ?
C43 C41 C9 122.9(3) . . ?
C46 C42 C37 118.6(3) . . ?
C46 C42 C66 118.8(3) . . ?
C66 C42 C37 122.6(3) . . ?
C41 C43 H43A 119.8 . . ?
C1P C43 C41 120.4(4) . . ?
C1P C43 H43A 119.8 . . ?
C54 C44 H44A 119.3 . . ?
C1O C44 H44A 119.3 . . ?
C1O C44 C54 121.4(4) . . ?
C4 C45 C7 123.8(3) . . ?
C4 C45 H45A 118.1 . . ?
C7 C45 H45A 118.1 . . ?
C42 C46 H46A 119.8 . . ?
C1L C46 C42 120.3(4) . . ?
C1L C46 H46A 119.8 . . ?
N1 C47 H47A 109.0 . . ?
N1 C47 H47B 109.0 . . ?
N1 C47 C103 112.7(5) . . ?
H47A C47 H47B 107.8 . . ?
C103 C47 H47A 109.0 . . ?
C103 C47 H47B 109.1 . . ?
C11 C48 H48A 120.2 . . ?
C2R C48 C11 119.7(4) . . ?
C2R C48 H48A 120.2 . . ?
C14 C49 H49A 120.0 . . ?
C14 C49 C2K 119.9(4) . . ?
C2K C49 H49A 120.0 . . ?
C1D C50 H50A 120.2 . . ?
C2W C50 H50A 120.2 . . ?
C2W C50 C1D 119.7(5) . . ?
C21 C51 H51A 119.8 . . ?
C2O C51 C21 120.4(4) . . ?
C2O C51 H51A 119.8 . . ?
C32 C52 C26 117.3(3) . . ?
C39 C52 C26 124.1(3) . . ?
C39 C52 C32 118.6(3) . . ?
C10 C53 H53A 118.8 . . ?
C16 C53 C10 122.3(3) . . ?
C16 C53 H53A 118.8 . . ?
C44 C54 C15 118.3(3) . . ?
C44 C54 C1G 118.2(4) . . ?
C1G C54 C15 123.5(3) . . ?
C62 C55 H55A 119.5 . . ?
C1M C55 H55A 119.5 . . ?
C1M C55 C62 120.9(4) . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C2A C56 H56A 109.5 . . ?
C2A C56 H56B 109.5 . . ?
C2A C56 H56C 109.5 . . ?
C21 C57 H57A 119.4 . . ?
C21 C57 C2B 121.1(4) . . ?
C2B C57 H57A 119.4 . . ?
C26 C58 C9 121.7(3) . . ?
C26 C58 H58A 119.1 . . ?
C9 C58 H58A 119.1 . . ?
N2 C59 H59A 108.4 . . ?
N2 C59 H59B 108.4 . . ?
N2 C59 C3D 115.7(3) . . ?
H59A C59 H59B 107.4 . . ?
C3D C59 H59A 108.4 . . ?
C3D C59 H59B 108.4 . . ?
H60A C60 H60B 107.9 . . ?
C1T C60 H60A 109.1 . . ?
C1T C60 H60B 109.1 . . ?
C1T C60 C1X 112.4(3) . . ?
C1X C60 H60A 109.1 . . ?
C1X C60 H60B 109.1 . . ?
C17 C61 H61A 119.7 . . ?
C1Y C61 C17 120.7(4) . . ?
C1Y C61 H61A 119.7 . . ?
C55 C62 C25 124.0(3) . . ?
C55 C62 C2G 118.0(4) . . ?
C2G C62 C25 117.8(3) . . ?
C11 C63 H63A 119.8 . . ?
C3N C63 C11 120.4(4) . . ?
C3N C63 H63A 119.8 . . ?
C3 C64 C35 111.6(3) . . ?
C3 C64 H64A 109.3 . . ?
C3 C64 H64B 109.3 . . ?
C35 C64 H64A 109.3 . . ?
C35 C64 H64B 109.3 . . ?
H64A C64 H64B 108.0 . . ?
C27 C65 H65A 119.6 . . ?
C1C C65 C27 120.8(4) . . ?
C1C C65 H65A 119.6 . . ?
C42 C66 H66A 119.8 . . ?
C3A C66 C42 120.5(4) . . ?
C3A C66 H66A 119.8 . . ?
C31 C67 H67A 120.0 . . ?
C1R C67 C31 120.0(4) . . ?
C1R C67 H67A 120.0 . . ?
N2 C68 H68A 108.4 . . ?
N2 C68 H68B 108.4 . . ?
N2 C68 C1X 115.5(3) . . ?
H68A C68 H68B 107.5 . . ?
C1X C68 H68A 108.4 . . ?
C1X C68 H68B 108.4 . . ?
C65 C1C H1CA 120.0 . . ?
C2U C1C C65 120.0(4) . . ?
C2U C1C H1CA 120.0 . . ?
C50 C1D C4 123.0(4) . . ?
C2D C1D C4 118.2(3) . . ?
C2D C1D C50 118.8(4) . . ?
C1Y C1E H1EA 120.4 . . ?
C80 C1E H1EA 120.4 . . ?
C80 C1E C1Y 119.2(4) . . ?
C19 C1F H1FA 119.3 . . ?
C2L C1F C19 121.4(4) . . ?
C2L C1F H1FA 119.3 . . ?
C54 C1G H1GA 119.8 . . ?
C2I C1G C54 120.3(4) . . ?
C2I C1G H1GA 119.8 . . ?
C30 C1H H1HA 120.0 . . ?
C34 C1H C30 120.0(4) . . ?
C34 C1H H1HA 120.0 . . ?
C1B C1I H1IA 120.0 . . ?
C1B C1I C2H 120.1(3) . . ?
C2H C1I H1IA 120.0 . . ?
C31 C1J H1JA 119.8 . . ?
C3L C1J C31 120.5(4) . . ?
C3L C1J H1JA 119.8 . . ?
C27 C1K H1KA 120.0 . . ?
C3C C1K C27 120.0(4) . . ?
C3C C1K H1KA 120.0 . . ?
C46 C1L H1LA 119.8 . . ?
C46 C1L C2Y 120.5(4) . . ?
C2Y C1L H1LA 119.8 . . ?
C55 C1M H1MA 120.0 . . ?
C2T C1M C55 120.1(4) . . ?
C2T C1M H1MA 120.0 . . ?
C1V C1N H1NA 120.1 . . ?
C71 C1N H1NA 120.1 . . ?
C71 C1N C1V 119.8(4) . . ?
C44 C1O H1OA 120.2 . . ?
C2N C1O C44 119.6(4) . . ?
C2N C1O H1OA 120.2 . . ?
C43 C1P H1PA 120.0 . . ?
C2K C1P C43 120.0(4) . . ?
C2K C1P H1PA 120.0 . . ?
C1V C1Q C16 118.0(3) . . ?
C2P C1Q C16 123.9(4) . . ?
C2P C1Q C1V 118.2(4) . . ?
C67 C1R H1RA 119.7 . . ?
C72 C1R C67 120.6(4) . . ?
C72 C1R H1RA 119.7 . . ?
C17 C1S H1SA 119.4 . . ?
C80 C1S C17 121.1(4) . . ?
C80 C1S H1SA 119.4 . . ?
C60 C1T H1TA 109.5 . . ?
C60 C1T H1TB 109.5 . . ?
C60 C1T H1TC 109.5 . . ?
H1TA C1T H1TB 109.5 . . ?
H1TA C1T H1TC 109.5 . . ?
H1TB C1T H1TC 109.5 . . ?
C32 C1U H1UA 119.9 . . ?
C32 C1U C2J 120.2(4) . . ?
C2J C1U H1UA 119.9 . . ?
C1N C1V H1VA 119.3 . . ?
C1Q C1V C1N 121.3(4) . . ?
C1Q C1V H1VA 119.3 . . ?
C29 C1W H1WA 119.8 . . ?
C2S C1W C29 120.4(4) . . ?
C2S C1W H1WA 119.8 . . ?
C60 C1X H1XA 109.4 . . ?
C60 C1X H1XB 109.4 . . ?
C68 C1X C60 111.2(3) . . ?
C68 C1X H1XA 109.4 . . ?
C68 C1X H1XB 109.4 . . ?
H1XA C1X H1XB 108.0 . . ?
C61 C1Y C1E 120.6(4) . . ?
C61 C1Y H1YA 119.7 . . ?
C1E C1Y H1YA 119.7 . . ?
H1ZA C1Z H1ZB 109.5 . . ?
H1ZA C1Z H1ZC 109.5 . . ?
H1ZB C1Z H1ZC 109.5 . . ?
C2V C1Z H1ZA 109.5 . . ?
C2V C1Z H1ZB 109.5 . . ?
C2V C1Z H1ZC 109.5 . . ?
C56 C2A H2AA 108.7 . . ?
C56 C2A H2AB 108.7 . . ?
C56 C2A C3D 114.2(3) . . ?
H2AA C2A H2AB 107.6 . . ?
C3D C2A H2AA 108.7 . . ?
C3D C2A H2AB 108.7 . . ?
C57 C2B H2BA 120.2 . . ?
C57 C2B C2X 119.6(4) . . ?
C2X C2B H2BA 120.2 . . ?
C19 C2C H2CA 120.1 . . ?
C19 C2C C3F 119.9(4) . . ?
C3F C2C H2CA 120.1 . . ?
C1D C2D H2DA 119.3 . . ?
C1D C2D C3I 121.4(4) . . ?
C3I C2D H2DA 119.3 . . ?
N1 C2E H2EA 121.5 . . ?
N1 C2E C82 117.0(4) . . ?
C82 C2E H2EA 121.5 . . ?
C33 C2F H2FA 119.8 . . ?
C38 C2F C33 120.3(4) . . ?
C38 C2F H2FA 119.8 . . ?
C62 C2G H2GA 119.5 . . ?
C3H C2G C62 121.0(4) . . ?
C3H C2G H2GA 119.5 . . ?
C1I C2H H2HA 119.9 . . ?
C34 C2H C1I 120.2(4) . . ?
C34 C2H H2HA 119.9 . . ?
C1H C34 C2H 119.8(4) . . ?
C1H C34 H34A 120.1 . . ?
C2H C34 H34A 120.1 . . ?
C1G C2I H2IA 119.7 . . ?
C1G C2I C2N 120.7(4) . . ?
C2N C2I H2IA 119.7 . . ?
C1U C2J H2JA 120.1 . . ?
C40 C2J C1U 119.7(4) . . ?
C40 C2J H2JA 120.1 . . ?
C49 C2K C1P 119.9(4) . . ?
C49 C2K H2KA 120.1 . . ?
C1P C2K H2KA 120.1 . . ?
C1F C2L H2LA 119.9 . . ?
C1F C2L C70 120.2(4) . . ?
C70 C2L H2LA 119.9 . . ?
C20 C2M H2MA 119.6 . . ?
C20 C2M C3G 120.9(4) . . ?
C3G C2M H2MA 119.6 . . ?
C39 C40 H40A 119.8 . . ?
C2J C40 C39 120.3(4) . . ?
C2J C40 H40A 119.8 . . ?
C1O C2N C2I 119.7(4) . . ?
C1O C2N H2NA 120.1 . . ?
C2I C2N H2NA 120.1 . . ?
C51 C2O H2OA 119.8 . . ?
C2X C2O C51 120.5(4) . . ?
C2X C2O H2OA 119.8 . . ?
C1Q C2P H2PA 120.0 . . ?
C1Q C2P C3E 120.1(4) . . ?
C3E C2P H2PA 120.0 . . ?
C2R C2Q H2QA 120.0 . . ?
C3N C2Q H2QA 120.0 . . ?
C3N C2Q C2R 119.9(4) . . ?
C48 C2R H2RA 119.7 . . ?
C2Q C2R C48 120.6(4) . . ?
C2Q C2R H2RA 119.7 . . ?
C38 C2S H2SA 120.4 . . ?
C1W C2S C38 119.1(4) . . ?
C1W C2S H2SA 120.4 . . ?
C1M C2T H2TA 120.1 . . ?
C1M C2T C3H 119.7(4) . . ?
C3H C2T H2TA 120.1 . . ?
C1C C2U H2UA 120.1 . . ?
C3C C2U C1C 119.8(4) . . ?
C3C C2U H2UA 120.1 . . ?
C1Z C2V H2VA 109.1 . . ?
C1Z C2V H2VB 109.1 . . ?
C1Z C2V C2Z 112.4(3) . . ?
H2VA C2V H2VB 107.9 . . ?
C2Z C2V H2VA 109.1 . . ?
C2Z C2V H2VB 109.1 . . ?
C50 C2W H2WA 119.6 . . ?
C79 C2W C50 120.9(4) . . ?
C79 C2W H2WA 119.6 . . ?
C2B C2X H2XA 120.1 . . ?
C2O C2X C2B 119.7(4) . . ?
C2O C2X H2XA 120.1 . . ?
C1L C2Y H2YA 120.2 . . ?
C3A C2Y C1L 119.6(4) . . ?
C3A C2Y H2YA 120.2 . . ?
C28 C2Z C2V 111.9(3) . . ?
C28 C2Z H2ZA 109.2 . . ?
C28 C2Z H2ZB 109.2 . . ?
C2V C2Z H2ZA 109.2 . . ?
C2V C2Z H2ZB 109.2 . . ?
H2ZA C2Z H2ZB 107.9 . . ?
C66 C3A H3AA 119.8 . . ?
C2Y C3A C66 120.3(4) . . ?
C2Y C3A H3AA 119.8 . . ?
C3G C3B H3BA 120.2 . . ?
C3G C3B C3K 119.6(4) . . ?
C3K C3B H3BA 120.2 . . ?
C1K C3C H3CA 119.7 . . ?
C2U C3C C1K 120.6(4) . . ?
C2U C3C H3CA 119.7 . . ?
C59 C3D C2A 110.7(3) . . ?
C59 C3D H3DA 109.5 . . ?
C59 C3D H3DB 109.5 . . ?
C2A C3D H3DA 109.5 . . ?
C2A C3D H3DB 109.5 . . ?
H3DA C3D H3DB 108.1 . . ?
C2P C3E H3EA 119.5 . . ?
C71 C3E C2P 121.0(4) . . ?
C71 C3E H3EA 119.5 . . ?
C2C C3F H3FA 119.5 . . ?
C70 C3F C2C 120.9(4) . . ?
C70 C3F H3FA 119.5 . . ?
C2M C3G H3GA 119.9 . . ?
C3B C3G C2M 120.2(4) . . ?
C3B C3G H3GA 119.9 . . ?
C2G C3H C2T 120.3(4) . . ?
C2G C3H H3HA 119.8 . . ?
C2T C3H H3HA 119.8 . . ?
C2D C3I H3IA 120.3 . . ?
C2D C3I C79 119.3(5) . . ?
C79 C3I H3IA 120.3 . . ?
N1 C3J H3JA 108.8 . . ?
N1 C3J H3JB 108.8 . . ?
H3JA C3J H3JB 107.7 . . ?
C74 C3J N1 113.9(3) . . ?
C74 C3J H3JA 108.8 . . ?
C74 C3J H3JB 108.8 . . ?
C1A C3K H3KA 119.9 . . ?
C3B C3K C1A 120.3(4) . . ?
C3B C3K H3KA 119.9 . . ?
C1J C3L H3LA 119.9 . . ?
C72 C3L C1J 120.1(4) . . ?
C72 C3L H3LA 119.9 . . ?
H3MA C3M H3MB 107.9 . . ?
C74 C3M H3MA 109.2 . . ?
C74 C3M H3MB 109.2 . . ?
C74 C3M C84 112.1(4) . . ?
C84 C3M H3MA 109.2 . . ?
C84 C3M H3MB 109.2 . . ?
C63 C3N H3NA 120.0 . . ?
C2Q C3N C63 120.0(4) . . ?
C2Q C3N H3NA 120.0 . . ?
C35 C3O H3OA 109.5 . . ?
C35 C3O H3OB 109.5 . . ?
C35 C3O H3OC 109.5 . . ?
H3OA C3O H3OB 109.5 . . ?
H3OA C3O H3OC 109.5 . . ?
H3OB C3O H3OC 109.5 . . ?
H69A C69 H69B 108.0 . . ?
C92 C69 H69A 109.4 . . ?
C92 C69 H69B 109.4 . . ?
C92 C69 C104 111.4(4) . . ?
C104 C69 H69A 109.4 . . ?
C104 C69 H69B 109.4 . . ?
C2L C70 H70A 120.3 . . ?
C3F C70 C2L 119.4(4) . . ?
C3F C70 H70A 120.3 . . ?
C1N C71 C3E 119.6(4) . . ?
C1N C71 H71A 120.2 . . ?
C3E C71 H71A 120.2 . . ?
C1R C72 C3L 120.0(4) . . ?
C1R C72 H72A 120.0 . . ?
C3L C72 H72A 120.0 . . ?
C3J C74 C3M 110.8(4) . . ?
C3J C74 H74A 109.5 . . ?
C3J C74 H74B 109.5 . . ?
C3M C74 H74A 109.5 . . ?
C3M C74 H74B 109.5 . . ?
H74A C74 H74B 108.1 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C81 C76 H76A 109.5 . . ?
C81 C76 H76B 109.5 . . ?
C81 C76 H76C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C113 C78 H78A 109.5 . . ?
C113 C78 H78B 109.5 . . ?
C113 C78 H78C 109.5 . . ?
C2W C79 C3I 119.9(4) . . ?
C2W C79 H79A 120.1 . . ?
C3I C79 H79A 120.1 . . ?
C1E C80 C1S 120.5(4) . . ?
C1E C80 H80A 119.8 . . ?
C1S C80 H80A 119.8 . . ?
O18 C81 C76 120.7(4) . . ?
O18 C81 C89 122.6(4) . . ?
C76 C81 C89 116.8(4) . . ?
C2E C82 H82A 108.6 . . ?
C2E C82 H82B 108.6 . . ?
H82A C82 H82B 107.6 . . ?
C85 C82 C2E 114.6(5) . . ?
C85 C82 H82A 108.6 . . ?
C85 C82 H82B 108.6 . . ?
C3M C84 H84A 109.5 . . ?
C3M C84 H84B 109.5 . . ?
C3M C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C82 C85 H85A 109.1 . . ?
C82 C85 H85B 109.0 . . ?
H85A C85 H85B 107.8 . . ?
C105 C85 C82 112.8(6) . . ?
C105 C85 H85A 109.1 . . ?
C105 C85 H85B 109.0 . . ?
O17 C86 C87 121.7(5) . . ?
O17 C86 C90 121.4(5) . . ?
C90 C86 C87 116.9(6) . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C81 C89 H89A 109.5 . . ?
C81 C89 H89B 109.5 . . ?
C81 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C86 C90 H90A 109.5 . . ?
C86 C90 H90B 109.5 . . ?
C86 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C104 C91 H91A 109.5 . . ?
C104 C91 H91B 109.5 . . ?
C104 C91 H91C 109.5 . . ?
N1 C92 C69 116.1(4) . . ?
N1 C92 H92A 108.3 . . ?
N1 C92 H92B 108.3 . . ?
C69 C92 H92A 108.3 . . ?
C69 C92 H92B 108.3 . . ?
H92A C92 H92B 107.4 . . ?
C47 C103 H10A 108.4 . . ?
C47 C103 H10B 108.4 . . ?
H10A C103 H10B 107.5 . . ?
C113 C103 C47 115.4(6) . . ?
C113 C103 H10A 108.4 . . ?
C113 C103 H10B 108.4 . . ?
C69 C104 H10C 109.6 . . ?
C69 C104 H10D 109.6 . . ?
C91 C104 C69 110.3(5) . . ?
C91 C104 H10C 109.6 . . ?
C91 C104 H10D 109.6 . . ?
H10C C104 H10D 108.1 . . ?
C85 C105 H10E 109.5 . . ?
C85 C105 H10F 109.4 . . ?
C85 C105 H10G 109.5 . . ?
H10E C105 H10F 109.5 . . ?
H10E C105 H10G 109.5 . . ?
H10F C105 H10G 109.5 . . ?
C78 C113 C103 109.4(7) . . ?
C78 C113 H11A 109.8 . . ?
C78 C113 H11B 109.8 . . ?
C103 C113 H11A 109.8 . . ?
C103 C113 H11B 109.8 . . ?
H11A C113 H11B 108.2 . . ?

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 O3 C4 C45 27.6(5) . . . . ?
Dy1 O3 C4 C1D -152.3(2) . . . . ?
Dy1 O4 C7 C19 153.7(2) . . . . ?
Dy1 O4 C7 C45 -27.7(5) . . . . ?
Dy1 O1 C9 C41 -166.7(2) . . . . ?
Dy1 O1 C9 C58 14.0(5) . . . . ?
Dy1 O2 C26 C52 140.3(2) . . . . ?
Dy1 O2 C26 C58 -39.9(5) . . . . ?
Dy1 O6 C18 C22 7.3(5) . . . . ?
Dy1 O6 C18 C1B -172.7(2) . . . . ?
Dy1 O7 C6 C8 24.1(5) . . . . ?
Dy1 O7 C6 C20 -156.0(2) . . . . ?
Dy1 O8 C23 C8 -29.9(5) . . . . ?
Dy1 O8 C23 C31 150.5(2) . . . . ?
Dy1 O5 C24 C22 -50.4(4) . . . . ?
Dy1 O5 C24 C27 129.0(3) . . . . ?
Dy2 O14 C2 C13 27.5(5) . . . . ?
Dy2 O14 C2 C21 -152.0(2) . . . . ?
Dy2 O10 C16 C53 26.8(5) . . . . ?
Dy2 O10 C16 C1Q -155.2(2) . . . . ?
Dy2 O12 C12 C1 32.3(5) . . . . ?
Dy2 O12 C12 C11 -144.2(2) . . . . ?
Dy2 O13 C25 C13 -27.0(5) . . . . ?
Dy2 O13 C25 C62 156.5(2) . . . . ?
Dy2 O15 C5 C17 142.0(2) . . . . ?
Dy2 O15 C5 C36 -38.4(5) . . . . ?
Dy2 O11 C10 C33 166.3(2) . . . . ?
Dy2 O11 C10 C53 -17.5(6) . . . . ?
Dy2 O16 C37 C36 27.1(5) . . . . ?
Dy2 O16 C37 C42 -153.6(2) . . . . ?
Dy2 O9 C15 C1 -31.1(5) . . . . ?
Dy2 O9 C15 C54 147.0(2) . . . . ?
O3 Dy1 O4 C7 35.7(3) . . . . ?
O3 Dy1 O1 C9 -104.0(3) . . . . ?
O3 Dy1 O2 C26 154.8(3) . . . . ?
O3 Dy1 O6 C18 164.8(3) . . . . ?
O3 Dy1 O7 C6 46.6(3) . . . . ?
O3 Dy1 O8 C23 -45.8(3) . . . . ?
O3 Dy1 O5 C24 -144.9(3) . . . . ?
O3 C4 C45 C7 1.8(6) . . . . ?
O3 C4 C1D C50 -168.5(3) . . . . ?
O3 C4 C1D C2D 10.8(5) . . . . ?
O14 Dy2 O10 C16 145.7(3) . . . . ?
O14 Dy2 O12 C12 6.0(4) . . . . ?
O14 Dy2 O13 C25 36.7(3) . . . . ?
O14 Dy2 O15 C5 -172.3(3) . . . . ?
O14 Dy2 O11 C10 26.5(4) . . . . ?
O14 Dy2 O16 C37 -91.5(3) . . . . ?
O14 Dy2 O9 C15 -109.6(3) . . . . ?
O14 C2 C13 C25 4.0(6) . . . . ?
O14 C2 C21 C51 -163.9(3) . . . . ?
O14 C2 C21 C57 16.8(5) . . . . ?
O4 Dy1 O3 C4 -35.8(3) . . . . ?
O4 Dy1 O1 C9 -169.0(3) . . . . ?
O4 Dy1 O2 C26 95.7(3) . . . . ?
O4 Dy1 O6 C18 -8.2(4) . . . . ?
O4 Dy1 O7 C6 120.5(3) . . . . ?
O4 Dy1 O8 C23 -2.1(4) . . . . ?
O4 Dy1 O5 C24 -121.3(3) . . . . ?
O4 C7 C19 C1F 21.6(5) . . . . ?
O4 C7 C19 C2C -156.4(3) . . . . ?
O4 C7 C45 C4 -1.3(6) . . . . ?
O1 Dy1 O3 C4 -101.9(3) . . . . ?
O1 Dy1 O4 C7 149.2(3) . . . . ?
O1 Dy1 O2 C26 43.4(3) . . . . ?
O1 Dy1 O6 C18 49.8(3) . . . . ?
O1 Dy1 O7 C6 149.0(3) . . . . ?
O1 Dy1 O8 C23 -146.1(3) . . . . ?
O1 Dy1 O5 C24 -45.4(3) . . . . ?
O1 C9 C41 C14 19.8(5) . . . . ?
O1 C9 C41 C43 -159.2(4) . . . . ?
O1 C9 C58 C26 13.0(5) . . . . ?
O2 Dy1 O3 C4 -167.8(3) . . . . ?
O2 Dy1 O4 C7 98.2(3) . . . . ?
O2 Dy1 O1 C9 -31.7(3) . . . . ?
O2 Dy1 O6 C18 120.0(3) . . . . ?
O2 Dy1 O7 C6 -8.7(4) . . . . ?
O2 Dy1 O8 C23 -128.0(3) . . . . ?
O2 Dy1 O5 C24 2.7(3) . . . . ?
O2 C26 C52 C32 -24.6(4) . . . . ?
O2 C26 C52 C39 157.0(3) . . . . ?
O2 C26 C58 C9 0.2(5) . . . . ?
O6 Dy1 O3 C4 148.6(3) . . . . ?
O6 Dy1 O4 C7 -148.7(3) . . . . ?
O6 Dy1 O1 C9 42.3(3) . . . . ?
O6 Dy1 O2 C26 -50.1(3) . . . . ?
O6 Dy1 O7 C6 -96.9(3) . . . . ?
O6 Dy1 O8 C23 154.0(3) . . . . ?
O6 Dy1 O5 C24 47.2(3) . . . . ?
O6 C18 C22 C24 12.8(5) . . . . ?
O6 C18 C1B C30 24.9(5) . . . . ?
O6 C18 C1B C1I -151.7(3) . . . . ?
O10 Dy2 O14 C2 138.0(3) . . . . ?
O10 Dy2 O12 C12 -98.1(3) . . . . ?
O10 Dy2 O13 C25 28.1(4) . . . . ?
O10 Dy2 O15 C5 -96.7(3) . . . . ?
O10 Dy2 O11 C10 28.7(3) . . . . ?
O10 Dy2 O16 C37 10.3(3) . . . . ?
O10 Dy2 O9 C15 175.5(3) . . . . ?
O10 C16 C53 C10 3.3(6) . . . . ?
O10 C16 C1Q C1V 20.6(5) . . . . ?
O10 C16 C1Q C2P -157.8(4) . . . . ?
O12 Dy2 O14 C2 9.6(3) . . . . ?
O12 Dy2 O10 C16 -82.5(3) . . . . ?
O12 Dy2 O13 C25 -109.9(3) . . . . ?
O12 Dy2 O15 C5 40.3(3) . . . . ?
O12 Dy2 O11 C10 171.1(3) . . . . ?
O12 Dy2 O16 C37 136.9(3) . . . . ?
O12 Dy2 O9 C15 38.0(3) . . . . ?
O7 Dy1 O3 C4 42.3(3) . . . . ?
O7 Dy1 O4 C7 -47.4(3) . . . . ?
O7 Dy1 O1 C9 162.2(3) . . . . ?
O7 Dy1 O2 C26 -150.0(3) . . . . ?
O7 Dy1 O6 C18 -98.5(3) . . . . ?
O7 Dy1 O8 C23 36.7(3) . . . . ?
O7 Dy1 O5 C24 161.2(3) . . . . ?
O7 C6 C8 C23 3.9(5) . . . . ?
O7 C6 C20 C1A -160.6(3) . . . . ?
O7 C6 C20 C2M 17.8(5) . . . . ?
O13 Dy2 O14 C2 -36.7(3) . . . . ?
O13 Dy2 O10 C16 154.1(3) . . . . ?
O13 Dy2 O12 C12 50.9(3) . . . . ?
O13 Dy2 O15 C5 120.8(3) . . . . ?
O13 Dy2 O11 C10 -158.8(3) . . . . ?
O13 Dy2 O16 C37 -145.6(3) . . . . ?
O13 Dy2 O9 C15 -38.3(3) . . . . ?
O13 C25 C13 C2 -4.9(5) . . . . ?
O13 C25 C62 C55 173.3(3) . . . . ?
O13 C25 C62 C2G -2.0(5) . . . . ?
O8 Dy1 O3 C4 115.3(3) . . . . ?
O8 Dy1 O4 C7 -9.5(4) . . . . ?
O8 Dy1 O1 C9 -13.1(4) . . . . ?
O8 Dy1 O2 C26 -125.4(3) . . . . ?
O8 Dy1 O6 C18 -160.9(3) . . . . ?
O8 Dy1 O7 C6 -33.9(3) . . . . ?
O8 Dy1 O5 C24 100.5(3) . . . . ?
O8 C23 C8 C6 -1.2(6) . . . . ?
O8 C23 C31 C67 -152.1(3) . . . . ?
O8 C23 C31 C1J 24.1(5) . . . . ?
O5 Dy1 O3 C4 -11.7(4) . . . . ?
O5 Dy1 O4 C7 -130.3(3) . . . . ?
O5 Dy1 O1 C9 112.3(3) . . . . ?
O5 Dy1 O2 C26 -6.9(3) . . . . ?
O5 Dy1 O6 C18 -27.2(3) . . . . ?
O5 Dy1 O7 C6 -161.7(3) . . . . ?
O5 Dy1 O8 C23 101.7(3) . . . . ?
O5 C24 C22 C18 8.9(5) . . . . ?
O5 C24 C27 C65 -10.8(5) . . . . ?
O5 C24 C27 C1K 175.9(3) . . . . ?
O15 Dy2 O14 C2 -143.7(3) . . . . ?
O15 Dy2 O10 C16 65.0(3) . . . . ?
O15 Dy2 O12 C12 140.3(3) . . . . ?
O15 Dy2 O13 C25 108.6(3) . . . . ?
O15 Dy2 O11 C10 -44.8(3) . . . . ?
O15 Dy2 O16 C37 -39.9(3) . . . . ?
O15 Dy2 O9 C15 -140.8(3) . . . . ?
O15 C5 C36 C37 0.4(6) . . . . ?
O11 Dy2 O14 C2 140.2(3) . . . . ?
O11 Dy2 O10 C16 -32.9(3) . . . . ?
O11 Dy2 O12 C12 -146.0(3) . . . . ?
O11 Dy2 O13 C25 -140.0(3) . . . . ?
O11 Dy2 O15 C5 -27.7(3) . . . . ?
O11 Dy2 O16 C37 58.1(3) . . . . ?
O11 Dy2 O9 C15 107.8(3) . . . . ?
O11 C10 C33 C29 175.9(3) . . . . ?
O11 C10 C33 C2F 0.5(5) . . . . ?
O11 C10 C53 C16 -8.1(6) . . . . ?
O16 Dy2 O14 C2 -94.5(3) . . . . ?
O16 Dy2 O10 C16 16.5(3) . . . . ?
O16 Dy2 O12 C12 135.4(3) . . . . ?
O16 Dy2 O13 C25 176.1(3) . . . . ?
O16 Dy2 O15 C5 45.3(3) . . . . ?
O16 Dy2 O11 C10 -113.7(3) . . . . ?
O16 Dy2 O9 C15 28.6(3) . . . . ?
O16 C37 C42 C46 25.2(5) . . . . ?
O16 C37 C42 C66 -153.6(3) . . . . ?
O9 Dy2 O14 C2 53.2(3) . . . . ?
O9 Dy2 O10 C16 -138.2(3) . . . . ?
O9 Dy2 O12 C12 -38.6(3) . . . . ?
O9 Dy2 O13 C25 -38.3(3) . . . . ?
O9 Dy2 O15 C5 -141.6(3) . . . . ?
O9 Dy2 O11 C10 104.4(3) . . . . ?
O9 Dy2 O16 C37 146.3(3) . . . . ?
O9 C15 C54 C44 -16.9(5) . . . . ?
O9 C15 C54 C1G 164.8(3) . . . . ?
N2 C3 C64 C35 175.4(3) . . . . ?
N2 C28 C2Z C2V -156.9(3) . . . . ?
N2 C59 C3D C2A 157.7(3) . . . . ?
N2 C68 C1X C60 151.2(3) . . . . ?
N1 C47 C103 C113 170.3(6) . . . . ?
N1 C2E C82 C85 -153.2(5) . . . . ?
N1 C3J C74 C3M 159.5(4) . . . . ?
C23 C31 C67 C1R 174.5(3) . . . . ?
C23 C31 C1J C3L -175.3(3) . . . . ?
C24 C27 C65 C1C -172.1(3) . . . . ?
C24 C27 C1K C3C 172.3(3) . . . . ?
C25 C62 C2G C3H 173.9(4) . . . . ?
C1 C15 C54 C44 161.3(3) . . . . ?
C1 C15 C54 C1G -17.0(5) . . . . ?
C2 C21 C51 C2O -179.8(4) . . . . ?
C2 C21 C57 C2B -179.5(3) . . . . ?
C4 C1D C2D C3I -177.6(4) . . . . ?
C6 C20 C1A C3K 178.5(3) . . . . ?
C6 C20 C2M C3G -179.0(3) . . . . ?
C7 C19 C1F C2L 179.9(3) . . . . ?
C7 C19 C2C C3F 179.0(4) . . . . ?
C8 C23 C31 C67 28.3(5) . . . . ?
C8 C23 C31 C1J -155.5(3) . . . . ?
C8 C6 C20 C1A 19.3(5) . . . . ?
C8 C6 C20 C2M -162.2(3) . . . . ?
C9 C41 C43 C1P 179.5(4) . . . . ?
C10 C33 C2F C38 174.1(5) . . . . ?
C11 C48 C2R C2Q 1.0(6) . . . . ?
C11 C63 C3N C2Q 1.2(6) . . . . ?
C12 C1 C15 O9 2.2(6) . . . . ?
C12 C1 C15 C54 -175.8(3) . . . . ?
C12 C11 C48 C2R 176.8(3) . . . . ?
C12 C11 C63 C3N -177.8(4) . . . . ?
C13 C25 C62 C55 -3.5(5) . . . . ?
C13 C25 C62 C2G -178.8(3) . . . . ?
C13 C2 C21 C51 16.5(5) . . . . ?
C13 C2 C21 C57 -162.8(3) . . . . ?
C14 C41 C43 C1P 0.4(6) . . . . ?
C14 C49 C2K C1P -0.7(7) . . . . ?
C15 C1 C12 O12 -2.8(6) . . . . ?
C15 C1 C12 C11 173.7(3) . . . . ?
C15 C54 C1G C2I 176.7(3) . . . . ?
C16 C1Q C1V C1N -177.4(4) . . . . ?
C16 C1Q C2P C3E 177.2(5) . . . . ?
C17 C5 C36 C37 -180.0(3) . . . . ?
C17 C61 C1Y C1E -1.0(6) . . . . ?
C17 C1S C80 C1E -0.5(6) . . . . ?
C18 C1B C30 C1H -176.8(3) . . . . ?
C18 C1B C1I C2H 175.5(3) . . . . ?
C19 C7 C45 C4 177.2(3) . . . . ?
C19 C1F C2L C70 1.2(6) . . . . ?
C19 C2C C3F C70 0.8(6) . . . . ?
C20 C6 C8 C23 -176.0(3) . . . . ?
C20 C1A C3K C3B 0.7(6) . . . . ?
C20 C2M C3G C3B 0.2(6) . . . . ?
C21 C2 C13 C25 -176.4(3) . . . . ?
C21 C51 C2O C2X 0.0(6) . . . . ?
C21 C57 C2B C2X -1.3(6) . . . . ?
C22 C24 C27 C65 168.7(3) . . . . ?
C22 C24 C27 C1K -4.6(5) . . . . ?
C22 C18 C1B C30 -155.1(3) . . . . ?
C22 C18 C1B C1I 28.3(5) . . . . ?
C3 N2 C28 C2Z 74.6(4) . . . . ?
C3 N2 C59 C3D -58.7(4) . . . . ?
C3 N2 C68 C1X 179.0(3) . . . . ?
C5 C17 C61 C1Y 176.8(4) . . . . ?
C5 C17 C1S C80 -176.3(3) . . . . ?
C5 C36 C37 O16 4.9(6) . . . . ?
C5 C36 C37 C42 -174.4(3) . . . . ?
C1A C20 C2M C3G -0.5(5) . . . . ?
C1B C18 C22 C24 -167.2(3) . . . . ?
C1B C30 C1H C34 1.3(6) . . . . ?
C1B C1I C2H C34 1.1(6) . . . . ?
C27 C24 C22 C18 -170.5(3) . . . . ?
C27 C65 C1C C2U -0.4(6) . . . . ?
C27 C1K C3C C2U -0.9(6) . . . . ?
C28 N2 C3 C64 67.8(4) . . . . ?
C28 N2 C59 C3D -178.7(3) . . . . ?
C28 N2 C68 C1X -60.7(4) . . . . ?
C29 C33 C2F C38 -1.6(7) . . . . ?
C29 C1W C2S C38 -1.6(8) . . . . ?
C30 C1B C1I C2H -1.0(5) . . . . ?
C30 C1H C34 C2H -1.2(6) . . . . ?
C31 C23 C8 C6 178.4(3) . . . . ?
C31 C67 C1R C72 0.5(6) . . . . ?
C31 C1J C3L C72 0.8(6) . . . . ?
C32 C1U C2J C40 0.8(6) . . . . ?
C33 C10 C53 C16 168.0(3) . . . . ?
C33 C29 C1W C2S 0.8(6) . . . . ?
C36 C37 C42 C46 -155.5(3) . . . . ?
C36 C37 C42 C66 25.7(5) . . . . ?
C37 C42 C46 C1L -179.2(3) . . . . ?
C37 C42 C66 C3A 179.0(3) . . . . ?
C41 C9 C58 C26 -166.3(3) . . . . ?
C41 C14 C49 C2K 2.4(6) . . . . ?
C41 C43 C1P C2K 1.1(7) . . . . ?
C42 C46 C1L C2Y -0.1(6) . . . . ?
C42 C66 C3A C2Y 0.5(6) . . . . ?
C43 C1P C2K C49 -1.0(7) . . . . ?
C44 C54 C1G C2I -1.6(5) . . . . ?
C44 C1O C2N C2I -1.0(6) . . . . ?
C45 C4 C1D C50 11.6(5) . . . . ?
C45 C4 C1D C2D -169.1(3) . . . . ?
C45 C7 C19 C1F -157.0(3) . . . . ?
C45 C7 C19 C2C 25.0(5) . . . . ?
C46 C42 C66 C3A 0.1(5) . . . . ?
C46 C1L C2Y C3A 0.7(6) . . . . ?
C47 N1 C2E C82 -177.5(5) . . . . ?
C47 N1 C3J C74 51.0(6) . . . . ?
C47 N1 C92 C69 -53.0(7) . . . . ?
C47 C103 C113 C78 65.9(9) . . . . ?
C48 C11 C12 O12 30.0(5) . . . . ?
C48 C11 C12 C1 -146.8(3) . . . . ?
C48 C11 C63 C3N 0.3(6) . . . . ?
C49 C14 C41 C9 178.7(3) . . . . ?
C49 C14 C41 C43 -2.2(6) . . . . ?
C50 C1D C2D C3I 1.7(6) . . . . ?
C50 C2W C79 C3I 1.8(7) . . . . ?
C51 C21 C57 C2B 1.2(6) . . . . ?
C51 C2O C2X C2B -0.1(6) . . . . ?
C52 C26 C58 C9 -179.9(3) . . . . ?
C52 C32 C1U C2J -1.2(6) . . . . ?
C52 C39 C40 C2J -0.2(6) . . . . ?
C53 C10 C33 C29 -0.4(6) . . . . ?
C53 C10 C33 C2F -175.9(4) . . . . ?
C53 C16 C1Q C1V -161.3(4) . . . . ?
C53 C16 C1Q C2P 20.2(6) . . . . ?
C54 C44 C1O C2N -1.3(6) . . . . ?
C54 C1G C2I C2N -0.6(6) . . . . ?
C55 C62 C2G C3H -1.6(6) . . . . ?
C55 C1M C2T C3H -0.6(6) . . . . ?
C56 C2A C3D C59 53.4(4) . . . . ?
C57 C21 C51 C2O -0.5(6) . . . . ?
C57 C2B C2X C2O 0.7(6) . . . . ?
C58 C26 C52 C32 155.5(3) . . . . ?
C58 C26 C52 C39 -22.9(5) . . . . ?
C58 C9 C41 C14 -160.8(3) . . . . ?
C58 C9 C41 C43 20.2(5) . . . . ?
C59 N2 C3 C64 -50.0(4) . . . . ?
C59 N2 C28 C2Z -164.6(3) . . . . ?
C59 N2 C68 C1X 57.6(4) . . . . ?
C61 C17 C5 O15 169.9(3) . . . . ?
C61 C17 C5 C36 -9.7(5) . . . . ?
C61 C17 C1S C80 1.0(6) . . . . ?
C62 C25 C13 C2 171.6(3) . . . . ?
C62 C55 C1M C2T 0.3(6) . . . . ?
C62 C2G C3H C2T 1.3(6) . . . . ?
C63 C11 C12 O12 -151.9(3) . . . . ?
C63 C11 C12 C1 31.3(5) . . . . ?
C63 C11 C48 C2R -1.4(5) . . . . ?
C65 C27 C1K C3C -0.9(5) . . . . ?
C65 C1C C2U C3C -1.4(7) . . . . ?
C66 C42 C46 C1L -0.3(6) . . . . ?
C67 C31 C1J C3L 1.1(5) . . . . ?
C67 C1R C72 C3L 1.4(6) . . . . ?
C68 N2 C3 C64 -171.0(3) . . . . ?
C68 N2 C28 C2Z -43.7(4) . . . . ?
C68 N2 C59 C3D 59.9(4) . . . . ?
C1C C2U C3C C1K 2.1(7) . . . . ?
C1D C4 C45 C7 -178.3(3) . . . . ?
C1D C50 C2W C79 0.3(7) . . . . ?
C1D C2D C3I C79 0.4(7) . . . . ?
C1F C19 C2C C3F 1.0(6) . . . . ?
C1F C2L C70 C3F 0.6(6) . . . . ?
C1G C2I C2N C1O 1.9(6) . . . . ?
C1I C1B C30 C1H -0.1(5) . . . . ?
C1I C2H C34 C1H 0.0(6) . . . . ?
C1J C31 C67 C1R -1.7(5) . . . . ?
C1J C3L C72 C1R -2.1(6) . . . . ?
C1K C27 C65 C1C 1.6(6) . . . . ?
C1L C2Y C3A C66 -0.9(6) . . . . ?
C1M C55 C62 C25 -174.4(3) . . . . ?
C1M C55 C62 C2G 0.8(5) . . . . ?
C1M C2T C3H C2G -0.1(7) . . . . ?
C1O C44 C54 C15 -175.8(3) . . . . ?
C1O C44 C54 C1G 2.6(5) . . . . ?
C1Q C16 C53 C10 -174.6(3) . . . . ?
C1Q C2P C3E C71 1.2(9) . . . . ?
C1S C17 C5 O15 -13.0(5) . . . . ?
C1S C17 C5 C36 167.3(3) . . . . ?
C1S C17 C61 C1Y -0.2(6) . . . . ?
C1T C60 C1X C68 166.8(3) . . . . ?
C1U C32 C52 C26 -177.7(3) . . . . ?
C1U C32 C52 C39 0.8(6) . . . . ?
C1U C2J C40 C39 -0.1(6) . . . . ?
C1V C1N C71 C3E 0.6(7) . . . . ?
C1V C1Q C2P C3E -1.3(7) . . . . ?
C1W C29 C33 C10 -174.7(4) . . . . ?
C1W C29 C33 C2F 0.8(6) . . . . ?
C1Y C1E C80 C1S -0.8(6) . . . . ?
C1Z C2V C2Z C28 77.2(4) . . . . ?
C2C C19 C1F C2L -2.0(6) . . . . ?
C2C C3F C70 C2L -1.6(7) . . . . ?
C2D C3I C79 C2W -2.1(7) . . . . ?
C2E N1 C47 C103 -177.5(5) . . . . ?
C2E N1 C3J C74 -68.0(5) . . . . ?
C2E N1 C92 C69 64.8(7) . . . . ?
C2E C82 C85 C105 76.7(9) . . . . ?
C2F C38 C2S C1W 0.8(9) . . . . ?
C2M C20 C1A C3K 0.1(5) . . . . ?
C40 C39 C52 C26 178.3(3) . . . . ?
C40 C39 C52 C32 -0.1(6) . . . . ?
C2P C1Q C1V C1N 1.1(6) . . . . ?
C2P C3E C71 C1N -0.8(9) . . . . ?
C2R C2Q C3N C63 -1.6(6) . . . . ?
C2S C38 C2F C33 0.8(9) . . . . ?
C2W C50 C1D C4 177.3(4) . . . . ?
C2W C50 C1D C2D -2.0(6) . . . . ?
C3G C3B C3K C1A -1.0(6) . . . . ?
C3J N1 C47 C103 61.1(7) . . . . ?
C3J N1 C2E C82 -55.1(6) . . . . ?
C3J N1 C92 C69 -175.0(6) . . . . ?
C3K C3B C3G C2M 0.6(6) . . . . ?
C3N C2Q C2R C48 0.5(6) . . . . ?
C3O C35 C64 C3 -71.5(5) . . . . ?
C71 C1N C1V C1Q -0.8(7) . . . . ?
C80 C1E C1Y C61 1.5(7) . . . . ?
C84 C3M C74 C3J -78.3(5) . . . . ?
C92 N1 C47 C103 -57.3(7) . . . . ?
C92 N1 C2E C82 62.4(5) . . . . ?
C92 N1 C3J C74 171.8(5) . . . . ?
C92 C69 C104 C91 -62.8(6) . . . . ?
C104 C69 C92 N1 -154.8(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_wb11
_database_code_depnum_ccdc_archive 'CCDC 2070672'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2019-07-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C68 H101 Dy F3 N O8 S4'
_chemical_formula_sum            'C68 H101 Dy F3 N O8 S4'
_chemical_formula_weight         1408.24
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.373(3)
_cell_length_b                   26.048(5)
_cell_length_c                   17.899(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.07(3)
_cell_angle_gamma                90.00
_cell_volume                     6235(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    49299
_cell_measurement_temperature    180
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      3.46
_exptl_absorpt_coefficient_mu    1.399
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related 
measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2948
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            67238
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.35
_diffrn_ambient_temperature      180
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7548
_reflns_number_total             10749
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.473
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.772
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         10749
_refine_ls_number_restraints     136
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      0.783
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1902P)²+5.1212P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.1933
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
3. Uiso/Uaniso restraints and constraints
C50 \\sim C95 \\sim C91 \\sim C77 \\sim C74 \\sim C73: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C60 \\sim C98 \\sim C96 \\sim C90 \\sim C92 \\sim C94: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C55 \\sim C79 \\sim C100 \\sim C101 \\sim C103 \\sim C102: within 2A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C61 \\sim C97 \\sim C99 \\sim C93 \\sim C78 \\sim C66: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
4.a Secondary CH2 refined with riding coordinates:
 C70(H70A,H70B), C69(H69A,H69B), C66(H66A,H66B), C64(H64A,H64B), C62(H62A,
 H62B), C57(H57A,H57B), C56(H56A,H56B), C81(H81A,H81B), C54(H54A,H54B),
 C41(H41A,H41B), C99(H99A,H99B), C98(H98A,H98B), C96(H96A,H96B), C95(H95A,H95B),
  C93(H93A,H93B), C92(H92A,H92B), C91(H91A,H91B), C79(H79A,H79B), C78(H78A,
 H78B), C77(H77A,H77B), C74(H74A,H74B)
4.b Me refined with riding coordinates:
 C94(H94A,H94B,H94C), C76(H76A,H76B,H76C), C73(H73A,H73B,H73C), C102(H10C,H10D,
 H10E)
4.c Aromatic/amide H refined with riding coordinates:
 C32(H32A), C35(H35A), C37(H37A), C42(H42A), C61(H61A), C60(H60A), C55(H55A),
 C52(H52A), C53(H53A), C50(H50A), C97(H97A), C90(H90A), C100(H10A), C101(H10B),
 C103(H10F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy -0.03567(2) 1.319424(10) 0.682666(15) 0.02470(14) Uani 1 d . . . .
O1 O 0.1120(3) 1.29698(17) 0.7628(2) 0.0333(10) Uani 1 d . . . .
O7 O 0.0770(3) 1.39020(16) 0.7021(2) 0.0330(10) Uani 1 d . . . .
O5 O -0.1394(3) 1.39426(15) 0.6580(2) 0.0301(10) Uani 1 d . . . .
O4 O -0.1891(3) 1.29848(16) 0.6068(2) 0.0290(9) Uani 1 d . . . .
O8 O -0.0054(3) 1.34621(16) 0.5645(2) 0.0334(10) Uani 1 d . . . .
O6 O -0.0694(3) 1.35201(16) 0.7979(2) 0.0320(10) Uani 1 d . . . .
O3 O -0.1059(3) 1.24758(17) 0.7358(2) 0.0344(10) Uani 1 d . . . .
C18 C 0.0962(5) 1.2126(2) 0.6620(3) 0.0308(15) Uani 1 d . . . .
O2 O 0.0327(3) 1.24506(16) 0.6321(2) 0.0325(10) Uani 1 d . . . .
C21 C -0.1568(5) 1.2110(2) 0.7003(4) 0.0333(15) Uani 1 d . . . .
C23 C 0.0983(5) 1.4261(3) 0.6623(4) 0.0364(16) Uani 1 d . . . .
C24 C 0.1738(5) 1.2610(2) 0.7745(3) 0.0305(14) Uani 1 d . . . .
C26 C -0.0805(5) 1.3979(3) 0.8176(4) 0.0333(15) Uani 1 d . . . .
C27 C 0.2559(4) 1.2652(2) 0.8385(3) 0.0299(14) Uani 1 d . . . .
C30 C -0.2397(5) 1.2589(2) 0.5905(3) 0.0294(14) Uani 1 d . . . .
C31 C 0.0162(5) 1.3903(2) 0.5417(3) 0.0330(15) Uani 1 d . . . .
C32 C -0.1146(5) 1.4390(2) 0.7728(4) 0.0371(16) Uani 1 d . . . .
H32A H -0.1190 1.4711 0.7952 0.044 Uiso 1 calc . . R .
C33 C -0.3253(5) 1.2612(2) 0.5287(3) 0.0297(14) Uani 1 d . . . .
C34 C -0.1438(5) 1.4352(2) 0.6938(4) 0.0321(15) Uani 1 d . . . .
C35 C -0.2205(5) 1.2123(2) 0.6331(3) 0.0321(15) Uani 1 d . . . .
H35A H -0.2499 1.1818 0.6171 0.039 Uiso 1 calc . . R .
C37 C 0.0641(5) 1.4305(3) 0.5825(4) 0.0358(16) Uani 1 d . . . .
H37A H 0.0748 1.4615 0.5580 0.043 Uiso 1 calc . . R .
C42 C 0.1653(5) 1.2168(3) 0.7274(4) 0.0375(16) Uani 1 d . . . .
H42A H 0.2057 1.1887 0.7383 0.045 Uiso 1 calc . . R .
S4 S 0.27902(19) 1.32286(9) 0.87985(14) 0.0634(6) Uani 1 d . . . .
S3 S -0.3566(2) 1.31966(9) 0.48821(15) 0.0652(7) Uani 1 d . . . .
S2 S -0.22006(19) 1.47316(9) 0.55513(13) 0.0638(6) Uani 1 d . . . .
S1 S 0.21222(19) 1.45786(8) 0.79386(11) 0.0622(6) Uani 1 d . . . .
C70 C -0.3981(4) 1.21408(19) 0.4984(3) 0.0123(11) Uiso 1 d . . . .
H70A H -0.3591 1.1856 0.4791 0.015 Uiso 1 calc . . R .
H70B H -0.4422 1.2018 0.5375 0.015 Uiso 1 calc . . R .
C69 C 0.3286(3) 1.22009(17) 0.8735(2) 0.0079(10) Uiso 1 d . . . .
H69A H 0.2894 1.1916 0.8925 0.009 Uiso 1 calc . . R .
H69B H 0.3751 1.2074 0.8363 0.009 Uiso 1 calc . . R .
N1 N -0.1195(4) 1.81574(19) 0.6950(3) 0.0343(13) Uani 1 d . . . .
C66 C -0.1973(4) 1.5352(2) 0.6798(3) 0.0218(12) Uiso 1 d . . . U
H66A H -0.1339 1.5499 0.6952 0.026 Uiso 1 calc . . R .
H66B H -0.2441 1.5364 0.7212 0.026 Uiso 1 calc . . R .
C64 C -0.4613(5) 1.2431(3) 0.4311(4) 0.0435(18) Uani 1 d . . . .
H64A H -0.4438 1.2273 0.3839 0.052 Uiso 1 calc . . R .
H64B H -0.5321 1.2373 0.4393 0.052 Uiso 1 calc . . R .
C63 C 0.1664(5) 1.4660(2) 0.7007(4) 0.0346(15) Uani 1 d . . . .
C62 C 0.3863(5) 1.2487(3) 0.9396(4) 0.048(2) Uani 1 d . . . .
H62A H 0.3688 1.2323 0.9864 0.058 Uiso 1 calc . . R .
H62B H 0.4575 1.2442 0.9322 0.058 Uiso 1 calc . . R .
C61 C -0.1641(5) 1.8426(3) 0.7581(4) 0.0439(18) Uani 1 d . . . U
H61A H -0.2329 1.8410 0.7650 0.053 Uiso 1 calc . . R .
C60 C -0.2049(5) 1.7889(3) 0.6472(4) 0.0385(16) Uani 1 d . . . U
H60A H -0.2718 1.7957 0.6574 0.046 Uiso 1 calc . . R .
C58 C -0.1848(5) 1.4804(3) 0.6494(4) 0.0337(15) Uani 1 d . . . .
C57 C -0.4454(6) 1.2945(4) 0.4257(4) 0.052(2) Uani 1 d . . . .
H57A H -0.5085 1.3120 0.4337 0.063 Uiso 1 calc . . R .
H57B H -0.4240 1.3021 0.3751 0.063 Uiso 1 calc . . R .
C56 C -0.2544(6) 1.5335(3) 0.5433(4) 0.055(2) Uani 1 d . . . .
H56A H -0.2157 1.5487 0.5032 0.066 Uiso 1 calc . . R .
H56B H -0.3244 1.5348 0.5294 0.066 Uiso 1 calc . . R .
C81 C 0.2033(5) 1.5116(3) 0.6712(4) 0.0436(18) Uani 1 d . . . .
H81A H 0.1481 1.5333 0.6559 0.052 Uiso 1 calc . . R .
H81B H 0.2437 1.5042 0.6275 0.052 Uiso 1 calc . . R .
C55 C -0.0358(5) 1.7799(3) 0.7263(4) 0.0436(18) Uani 1 d . . . U
H55A H 0.0308 1.7859 0.7144 0.052 Uiso 1 calc . . R .
C54 C 0.3671(6) 1.2999(4) 0.9459(4) 0.052(2) Uani 1 d . . . .
H54A H 0.4292 1.3187 0.9397 0.062 Uiso 1 calc . . R .
H54B H 0.3423 1.3069 0.9958 0.062 Uiso 1 calc . . R .
C52 C -0.2395(6) 1.5618(3) 0.6094(5) 0.061(2) Uani 1 d . . . .
H52A H -0.2551 1.5966 0.6107 0.073 Uiso 1 calc . . R .
C53 C 0.2653(6) 1.5388(3) 0.7286(5) 0.053(2) Uani 1 d . . . .
H53A H 0.2939 1.5707 0.7191 0.064 Uiso 1 calc . . R .
C50 C -0.0715(5) 1.8547(3) 0.6473(4) 0.0392(17) Uani 1 d . . . U
H50A H -0.0025 1.8547 0.6407 0.047 Uiso 1 calc . . R .
C41 C 0.2780(7) 1.5138(3) 0.7976(5) 0.066(2) Uani 1 d . . . .
H41A H 0.2533 1.5352 0.8379 0.080 Uiso 1 calc . . R .
H41B H 0.3482 1.5067 0.8064 0.080 Uiso 1 calc . . R .
C99 C -0.0763(6) 1.9302(3) 0.7952(4) 0.0472(19) Uani 1 d . . . U
H99A H -0.1386 1.9465 0.7806 0.057 Uiso 1 calc . . R .
H99B H -0.0323 1.9308 0.7521 0.057 Uiso 1 calc . . R .
C98 C -0.1781(5) 1.7531(3) 0.5865(4) 0.0449(18) Uani 1 d . . . U
H98A H -0.1504 1.7222 0.6087 0.054 Uiso 1 calc . . R .
H98B H -0.1257 1.7688 0.5568 0.054 Uiso 1 calc . . R .
C97 C -0.0975(6) 1.8746(3) 0.8155(4) 0.0475(19) Uani 1 d . . . U
H97A H -0.0730 1.8600 0.8593 0.057 Uiso 1 calc . . R .
C96 C -0.2675(5) 1.7367(3) 0.5316(4) 0.0444(18) Uani 1 d . . . U
H96A H -0.3201 1.7218 0.5620 0.053 Uiso 1 calc . . R .
H96B H -0.2945 1.7678 0.5095 0.053 Uiso 1 calc . . R .
C95 C -0.1382(5) 1.8965(3) 0.6079(4) 0.0445(18) Uani 1 d . . . U
H95A H -0.1817 1.8801 0.5716 0.053 Uiso 1 calc . . R .
H95B H -0.1799 1.9134 0.6447 0.053 Uiso 1 calc . . R .
C94 C -0.3047(6) 1.6477(3) 0.3558(4) 0.056(2) Uani 1 d . . . U
H94A H -0.3633 1.6398 0.3269 0.084 Uiso 1 calc . . R .
H94B H -0.2790 1.6168 0.3777 0.084 Uiso 1 calc . . R .
H94C H -0.2548 1.6626 0.3239 0.084 Uiso 1 calc . . R .
C93 C -0.0270(6) 1.9629(3) 0.8597(4) 0.055(2) Uani 1 d . . . U
H93A H -0.0702 1.9619 0.9032 0.065 Uiso 1 calc . . R .
H93B H 0.0363 1.9474 0.8735 0.065 Uiso 1 calc . . R .
C92 C -0.3306(6) 1.6840(3) 0.4147(5) 0.061(2) Uani 1 d . . . U
H92A H -0.3846 1.6692 0.4438 0.074 Uiso 1 calc . . R .
H92B H -0.3565 1.7148 0.3912 0.074 Uiso 1 calc . . R .
C91 C -0.0760(6) 1.9343(3) 0.5706(4) 0.053(2) Uani 1 d . . . U
H91A H -0.0324 1.9167 0.5357 0.064 Uiso 1 calc . . R .
H91B H -0.0340 1.9509 0.6076 0.064 Uiso 1 calc . . R .
C90 C -0.2456(6) 1.7004(3) 0.4700(4) 0.0486(19) Uani 1 d . . . U
H90A H -0.1814 1.6873 0.4643 0.058 Uiso 1 calc . . R .
C79 C -0.0634(6) 1.7362(3) 0.7752(5) 0.057(2) Uani 1 d . . . U
H79A H -0.1214 1.7193 0.7537 0.069 Uiso 1 calc . . R .
H79B H -0.0833 1.7497 0.8234 0.069 Uiso 1 calc . . R .
C78 C -0.0093(7) 2.0173(3) 0.8390(4) 0.058(2) Uani 1 d . . . U
H78A H -0.0728 2.0329 0.8258 0.070 Uiso 1 calc . . R .
H78B H 0.0329 2.0182 0.7949 0.070 Uiso 1 calc . . R .
C77 C -0.1364(7) 1.9768(3) 0.5269(5) 0.064(2) Uani 1 d . . . U
H77A H -0.0920 1.9928 0.4909 0.077 Uiso 1 calc . . R .
H77B H -0.1897 1.9602 0.4991 0.077 Uiso 1 calc . . R .
C76 C 0.0411(8) 2.0503(4) 0.9019(5) 0.083(3) Uani 1 d . . . .
H76A H 0.0500 2.0849 0.8845 0.124 Uiso 1 calc . . R .
H76B H 0.1051 2.0359 0.9144 0.124 Uiso 1 calc . . R .
H76C H -0.0008 2.0504 0.9454 0.124 Uiso 1 calc . . R .
C74 C -0.1808(8) 2.0175(3) 0.5742(5) 0.072(3) Uani 1 d . . . U
H74A H -0.1280 2.0344 0.6023 0.086 Uiso 1 calc . . R .
H74B H -0.2263 2.0020 0.6097 0.086 Uiso 1 calc . . R .
C73 C -0.2368(10) 2.0573(4) 0.5289(7) 0.111(4) Uani 1 d . . . U
H73A H -0.2639 2.0829 0.5618 0.167 Uiso 1 calc . . R .
H73B H -0.2902 2.0410 0.5020 0.167 Uiso 1 calc . . R .
H73C H -0.1918 2.0733 0.4942 0.167 Uiso 1 calc . . R .
C100 C 0.0170(7) 1.6959(3) 0.7879(6) 0.073(3) Uani 1 d . . . U
H10A H 0.0817 1.7017 0.7709 0.088 Uiso 1 calc . . R .
C101 C -0.0066(8) 1.6483(4) 0.8265(6) 0.088(3) Uani 1 d . . . U
H10B H -0.0706 1.6444 0.8460 0.106 Uiso 1 calc . . R .
C102 C 0.0355(9) 1.5600(4) 0.8738(6) 0.103(4) Uani 1 d . . . U
H10C H 0.0913 1.5369 0.8760 0.155 Uiso 1 calc . . R .
H10D H -0.0183 1.5441 0.8468 0.155 Uiso 1 calc . . R .
H10E H 0.0139 1.5681 0.9235 0.155 Uiso 1 calc . . R .
C103 C 0.0648(10) 1.6060(4) 0.8366(9) 0.140(6) Uani 1 d . . . U
H10F H 0.1297 1.6092 0.8185 0.168 Uiso 1 calc . . R .
F12 F -0.1148(3) 1.38909(17) 0.4365(2) 0.0508(11) Uani 1 d . . . .
F11 F -0.0536(3) 1.14503(16) 0.7610(3) 0.0561(12) Uani 1 d . . . .
F10 F 0.0302(4) 1.36184(17) 0.4178(2) 0.0567(12) Uani 1 d . . . .
F9 F 0.0067(3) 1.44289(15) 0.4308(2) 0.0481(11) Uani 1 d . . . .
F8 F -0.0979(4) 1.37226(18) 0.9415(2) 0.0611(13) Uani 1 d . . . .
F7 F 0.0047(4) 1.14214(18) 0.6031(3) 0.0747(15) Uani 1 d . . . .
F6 F 0.0448(4) 1.3990(2) 0.9257(3) 0.0707(15) Uani 1 d . . . .
F5 F -0.1810(4) 1.16744(19) 0.8122(3) 0.0700(15) Uani 1 d . . . .
F4 F -0.2027(4) 1.12241(16) 0.7110(3) 0.0659(14) Uani 1 d . . . .
F3 F -0.0773(5) 1.45222(18) 0.9258(2) 0.0823(18) Uani 1 d . . . .
F2 F 0.1152(5) 1.17228(19) 0.5469(3) 0.089(2) Uani 1 d . . . .
F1 F 0.1592(5) 1.12783(19) 0.6459(3) 0.0869(19) Uani 1 d . . . .
C40 C 0.0966(6) 1.1639(3) 0.6153(4) 0.0434(18) Uani 1 d . . . .
C67 C -0.0149(5) 1.3965(3) 0.4568(4) 0.0379(16) Uani 1 d . . . .
C68 C -0.1498(6) 1.1612(3) 0.7454(4) 0.0443(18) Uani 1 d . . . .
C65 C -0.0533(6) 1.4061(3) 0.9034(4) 0.0451(18) Uani 1 d . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.509(4) . ?
Dy1 O7 2.406(4) . ?
Dy1 O5 2.433(4) . ?
Dy1 O4 2.518(4) . ?
Dy1 O8 2.264(4) . ?
Dy1 O6 2.276(4) . ?
Dy1 O3 2.300(4) . ?
Dy1 O2 2.326(4) . ?
O1 C24 1.267(7) . ?
O7 C23 1.211(8) . ?
O5 C34 1.246(7) . ?
O4 C30 1.267(7) . ?
O8 C31 1.253(7) . ?
O6 C26 1.255(7) . ?
O3 C21 1.333(8) . ?
C18 O2 1.311(7) . ?
C18 C42 1.495(9) . ?
C18 C40 1.520(9) . ?
C21 C35 1.473(9) . ?
C21 C68 1.531(10) . ?
C23 C37 1.503(9) . ?
C23 C63 1.543(9) . ?
C24 C27 1.590(9) . ?
C24 C42 1.431(9) . ?
C26 C32 1.413(9) . ?
C26 C65 1.593(9) . ?
C27 S4 1.703(7) . ?
C27 C69 1.649(7) . ?
C30 C33 1.592(9) . ?
C30 C35 1.457(9) . ?
C31 C37 1.427(9) . ?
C31 C67 1.584(9) . ?
C32 H32A 0.9300 . ?
C32 C34 1.469(9) . ?
C33 S3 1.737(7) . ?
C33 C70 1.658(8) . ?
C34 C58 1.522(9) . ?
C35 H35A 0.9300 . ?
C37 H37A 0.9300 . ?
C42 H42A 0.9300 . ?
S4 C54 1.771(9) . ?
S3 C57 1.758(8) . ?
S2 C58 1.761(7) . ?
S2 C56 1.652(7) . ?
S1 C63 1.788(7) . ?
S1 C41 1.702(8) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C70 C64 1.653(9) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C69 C62 1.595(9) . ?
N1 C61 1.457(8) . ?
N1 C60 1.589(8) . ?
N1 C55 1.561(8) . ?
N1 C50 1.474(8) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C66 C58 1.537(8) . ?
C66 C52 1.544(10) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C64 C57 1.357(11) . ?
C63 C81 1.389(9) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C62 C54 1.363(11) . ?
C61 H61A 0.9300 . ?
C61 C97 1.595(9) . ?
C60 H60A 0.9300 . ?
C60 C98 1.476(8) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 C52 1.407(11) . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C81 C53 1.498(10) . ?
C55 H55A 0.9300 . ?
C55 C79 1.484(9) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C52 H52A 0.9300 . ?
C53 H53A 0.9300 . ?
C53 C41 1.408(11) . ?
C50 H50A 0.9300 . ?
C50 C95 1.574(9) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C99 C97 1.521(9) . ?
C99 C93 1.579(9) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C98 C96 1.605(9) . ?
C97 H97A 0.9300 . ?
C96 H96A 0.9700 . ?
C96 H96B 0.9700 . ?
C96 C90 1.483(9) . ?
C95 H95A 0.9700 . ?
C95 H95B 0.9700 . ?
C95 C91 1.452(9) . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C94 C92 1.460(9) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C93 C78 1.483(10) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C92 C90 1.566(10) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C91 C77 1.578(10) . ?
C90 H90A 0.9300 . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C79 C100 1.519(10) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C78 C76 1.569(10) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C77 C74 1.482(10) . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
C74 C73 1.513(11) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C100 H10A 0.9300 . ?
C100 C101 1.454(11) . ?
C101 H10B 0.9300 . ?
C101 C103 1.470(12) . ?
C102 H10C 0.9600 . ?
C102 H10D 0.9600 . ?
C102 H10E 0.9600 . ?
C102 C103 1.425(12) . ?
C103 H10F 0.9300 . ?
F12 C67 1.397(8) . ?
F11 C68 1.382(9) . ?
F10 C67 1.291(8) . ?
F9 C67 1.327(7) . ?
F8 C65 1.263(8) . ?
F7 C40 1.371(9) . ?
F6 C65 1.384(9) . ?
F5 C68 1.277(9) . ?
F4 C68 1.379(8) . ?
F3 C65 1.307(8) . ?
F2 C40 1.268(9) . ?
F1 C40 1.372(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O4 153.89(15) . . ?
O7 Dy1 O1 66.65(15) . . ?
O7 Dy1 O5 76.64(16) . . ?
O7 Dy1 O4 138.89(15) . . ?
O5 Dy1 O1 137.63(14) . . ?
O5 Dy1 O4 67.17(14) . . ?
O8 Dy1 O1 117.68(15) . . ?
O8 Dy1 O7 77.66(15) . . ?
O8 Dy1 O5 71.72(14) . . ?
O8 Dy1 O4 73.11(15) . . ?
O8 Dy1 O6 140.13(16) . . ?
O8 Dy1 O3 135.27(15) . . ?
O8 Dy1 O2 79.77(15) . . ?
O6 Dy1 O1 74.08(15) . . ?
O6 Dy1 O7 73.04(15) . . ?
O6 Dy1 O5 75.62(15) . . ?
O6 Dy1 O4 114.00(15) . . ?
O6 Dy1 O3 81.21(15) . . ?
O6 Dy1 O2 137.87(15) . . ?
O3 Dy1 O1 84.00(15) . . ?
O3 Dy1 O7 145.05(15) . . ?
O3 Dy1 O5 119.60(15) . . ?
O3 Dy1 O4 73.37(15) . . ?
O3 Dy1 O2 69.15(16) . . ?
O2 Dy1 O1 73.65(15) . . ?
O2 Dy1 O7 116.62(15) . . ?
O2 Dy1 O5 145.23(14) . . ?
O2 Dy1 O4 86.01(15) . . ?
C24 O1 Dy1 141.2(4) . . ?
C23 O7 Dy1 131.0(4) . . ?
C34 O5 Dy1 128.3(4) . . ?
C30 O4 Dy1 137.3(4) . . ?
C31 O8 Dy1 128.9(4) . . ?
C26 O6 Dy1 129.3(4) . . ?
C21 O3 Dy1 126.4(4) . . ?
O2 C18 C42 132.2(6) . . ?
O2 C18 C40 108.5(6) . . ?
C42 C18 C40 119.2(6) . . ?
C18 O2 Dy1 129.3(4) . . ?
O3 C21 C35 131.9(6) . . ?
O3 C21 C68 108.9(6) . . ?
C35 C21 C68 119.0(6) . . ?
O7 C23 C37 123.1(6) . . ?
O7 C23 C63 113.4(6) . . ?
C37 C23 C63 123.5(6) . . ?
O1 C24 C27 121.2(5) . . ?
O1 C24 C42 116.6(6) . . ?
C42 C24 C27 122.3(6) . . ?
O6 C26 C32 126.9(6) . . ?
O6 C26 C65 111.8(6) . . ?
C32 C26 C65 121.3(6) . . ?
C24 C27 S4 119.9(4) . . ?
C24 C27 C69 129.2(5) . . ?
C69 C27 S4 110.9(4) . . ?
O4 C30 C33 120.8(5) . . ?
O4 C30 C35 117.7(5) . . ?
C35 C30 C33 121.4(5) . . ?
O8 C31 C37 127.6(6) . . ?
O8 C31 C67 110.2(6) . . ?
C37 C31 C67 122.2(6) . . ?
C26 C32 H32A 117.3 . . ?
C26 C32 C34 125.5(6) . . ?
C34 C32 H32A 117.3 . . ?
C30 C33 S3 119.7(4) . . ?
C30 C33 C70 128.4(5) . . ?
C70 C33 S3 111.8(4) . . ?
O5 C34 C32 122.6(6) . . ?
O5 C34 C58 114.2(6) . . ?
C32 C34 C58 123.1(6) . . ?
C21 C35 H35A 118.4 . . ?
C30 C35 C21 123.2(6) . . ?
C30 C35 H35A 118.4 . . ?
C23 C37 H37A 117.7 . . ?
C31 C37 C23 124.5(6) . . ?
C31 C37 H37A 117.7 . . ?
C18 C42 H42A 117.7 . . ?
C24 C42 C18 124.6(6) . . ?
C24 C42 H42A 117.7 . . ?
C27 S4 C54 96.5(4) . . ?
C33 S3 C57 95.8(4) . . ?
C56 S2 C58 95.4(4) . . ?
C41 S1 C63 96.4(4) . . ?
C33 C70 H70A 111.5 . . ?
C33 C70 H70B 111.5 . . ?
H70A C70 H70B 109.3 . . ?
C64 C70 C33 101.5(4) . . ?
C64 C70 H70A 111.5 . . ?
C64 C70 H70B 111.5 . . ?
C27 C69 H69A 111.1 . . ?
C27 C69 H69B 111.1 . . ?
H69A C69 H69B 109.0 . . ?
C62 C69 C27 103.4(5) . . ?
C62 C69 H69A 111.1 . . ?
C62 C69 H69B 111.1 . . ?
C61 N1 C60 109.5(5) . . ?
C61 N1 C55 107.6(5) . . ?
C61 N1 C50 107.2(5) . . ?
C55 N1 C60 116.4(5) . . ?
C50 N1 C60 107.8(5) . . ?
C50 N1 C55 107.9(5) . . ?
H66A C66 H66B 109.6 . . ?
C58 C66 H66A 111.9 . . ?
C58 C66 H66B 111.9 . . ?
C58 C66 C52 99.6(5) . . ?
C52 C66 H66A 111.9 . . ?
C52 C66 H66B 111.9 . . ?
C70 C64 H64A 108.5 . . ?
C70 C64 H64B 108.5 . . ?
H64A C64 H64B 107.5 . . ?
C57 C64 C70 115.1(6) . . ?
C57 C64 H64A 108.5 . . ?
C57 C64 H64B 108.5 . . ?
C23 C63 S1 122.5(5) . . ?
C81 C63 C23 128.0(6) . . ?
C81 C63 S1 109.5(5) . . ?
C69 C62 H62A 108.4 . . ?
C69 C62 H62B 108.4 . . ?
H62A C62 H62B 107.5 . . ?
C54 C62 C69 115.4(6) . . ?
C54 C62 H62A 108.4 . . ?
C54 C62 H62B 108.4 . . ?
N1 C61 H61A 119.3 . . ?
N1 C61 C97 121.5(6) . . ?
C97 C61 H61A 119.3 . . ?
N1 C60 H60A 120.0 . . ?
C98 C60 N1 119.9(5) . . ?
C98 C60 H60A 120.0 . . ?
C34 C58 S2 120.9(5) . . ?
C34 C58 C66 124.9(5) . . ?
C66 C58 S2 114.2(4) . . ?
S3 C57 H57A 108.5 . . ?
S3 C57 H57B 108.5 . . ?
C64 C57 S3 115.3(6) . . ?
C64 C57 H57A 108.5 . . ?
C64 C57 H57B 108.5 . . ?
H57A C57 H57B 107.5 . . ?
S2 C56 H56A 109.5 . . ?
S2 C56 H56B 109.5 . . ?
H56A C56 H56B 108.1 . . ?
C52 C56 S2 110.6(6) . . ?
C52 C56 H56A 109.5 . . ?
C52 C56 H56B 109.5 . . ?
C63 C81 H81A 109.7 . . ?
C63 C81 H81B 109.7 . . ?
C63 C81 C53 109.9(6) . . ?
H81A C81 H81B 108.2 . . ?
C53 C81 H81A 109.7 . . ?
C53 C81 H81B 109.7 . . ?
N1 C55 H55A 120.3 . . ?
C79 C55 N1 119.5(6) . . ?
C79 C55 H55A 120.3 . . ?
S4 C54 H54A 108.9 . . ?
S4 C54 H54B 108.9 . . ?
C62 C54 S4 113.5(6) . . ?
C62 C54 H54A 108.9 . . ?
C62 C54 H54B 108.9 . . ?
H54A C54 H54B 107.7 . . ?
C66 C52 H52A 119.9 . . ?
C56 C52 C66 120.2(7) . . ?
C56 C52 H52A 119.9 . . ?
C81 C53 H53A 121.7 . . ?
C41 C53 C81 116.6(7) . . ?
C41 C53 H53A 121.7 . . ?
N1 C50 H50A 120.4 . . ?
N1 C50 C95 119.3(5) . . ?
C95 C50 H50A 120.4 . . ?
S1 C41 H41A 110.2 . . ?
S1 C41 H41B 110.2 . . ?
C53 C41 S1 107.5(6) . . ?
C53 C41 H41A 110.2 . . ?
C53 C41 H41B 110.2 . . ?
H41A C41 H41B 108.5 . . ?
H99A C99 H99B 107.6 . . ?
C97 C99 H99A 108.6 . . ?
C97 C99 H99B 108.6 . . ?
C97 C99 C93 114.6(6) . . ?
C93 C99 H99A 108.6 . . ?
C93 C99 H99B 108.6 . . ?
C60 C98 H98A 108.3 . . ?
C60 C98 H98B 108.3 . . ?
C60 C98 C96 115.9(6) . . ?
H98A C98 H98B 107.4 . . ?
C96 C98 H98A 108.3 . . ?
C96 C98 H98B 108.3 . . ?
C61 C97 H97A 121.7 . . ?
C99 C97 C61 116.6(6) . . ?
C99 C97 H97A 121.7 . . ?
C98 C96 H96A 107.7 . . ?
C98 C96 H96B 107.7 . . ?
H96A C96 H96B 107.1 . . ?
C90 C96 C98 118.5(6) . . ?
C90 C96 H96A 107.7 . . ?
C90 C96 H96B 107.7 . . ?
C50 C95 H95A 109.6 . . ?
C50 C95 H95B 109.6 . . ?
H95A C95 H95B 108.1 . . ?
C91 C95 C50 110.5(6) . . ?
C91 C95 H95A 109.5 . . ?
C91 C95 H95B 109.6 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C92 C94 H94A 109.5 . . ?
C92 C94 H94B 109.5 . . ?
C92 C94 H94C 109.5 . . ?
C99 C93 H93A 108.9 . . ?
C99 C93 H93B 108.9 . . ?
H93A C93 H93B 107.7 . . ?
C78 C93 C99 113.5(6) . . ?
C78 C93 H93A 108.9 . . ?
C78 C93 H93B 108.9 . . ?
C94 C92 H92A 107.9 . . ?
C94 C92 H92B 107.9 . . ?
C94 C92 C90 117.4(7) . . ?
H92A C92 H92B 107.2 . . ?
C90 C92 H92A 107.9 . . ?
C90 C92 H92B 107.9 . . ?
C95 C91 H91A 108.7 . . ?
C95 C91 H91B 108.7 . . ?
C95 C91 C77 114.2(7) . . ?
H91A C91 H91B 107.6 . . ?
C77 C91 H91A 108.7 . . ?
C77 C91 H91B 108.7 . . ?
C96 C90 C92 120.0(6) . . ?
C96 C90 H90A 120.0 . . ?
C92 C90 H90A 120.0 . . ?
C55 C79 H79A 108.2 . . ?
C55 C79 H79B 108.2 . . ?
C55 C79 C100 116.2(6) . . ?
H79A C79 H79B 107.4 . . ?
C100 C79 H79A 108.2 . . ?
C100 C79 H79B 108.2 . . ?
C93 C78 H78A 108.7 . . ?
C93 C78 H78B 108.7 . . ?
C93 C78 C76 114.3(7) . . ?
H78A C78 H78B 107.6 . . ?
C76 C78 H78A 108.7 . . ?
C76 C78 H78B 108.7 . . ?
C91 C77 H77A 108.5 . . ?
C91 C77 H77B 108.5 . . ?
H77A C77 H77B 107.5 . . ?
C74 C77 C91 115.1(7) . . ?
C74 C77 H77A 108.5 . . ?
C74 C77 H77B 108.5 . . ?
C78 C76 H76A 109.5 . . ?
C78 C76 H76B 109.5 . . ?
C78 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C77 C74 H74A 109.1 . . ?
C77 C74 H74B 109.1 . . ?
C77 C74 C73 112.5(8) . . ?
H74A C74 H74B 107.8 . . ?
C73 C74 H74A 109.1 . . ?
C73 C74 H74B 109.1 . . ?
C74 C73 H73A 109.5 . . ?
C74 C73 H73B 109.5 . . ?
C74 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C79 C100 H10A 119.8 . . ?
C101 C100 C79 120.4(8) . . ?
C101 C100 H10A 119.8 . . ?
C100 C101 H10B 118.1 . . ?
C100 C101 C103 123.8(9) . . ?
C103 C101 H10B 118.1 . . ?
H10C C102 H10D 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C103 C102 H10C 109.5 . . ?
C103 C102 H10D 109.5 . . ?
C103 C102 H10E 109.5 . . ?
C101 C103 H10F 119.7 . . ?
C102 C103 C101 120.6(10) . . ?
C102 C103 H10F 119.7 . . ?
F7 C40 C18 115.4(6) . . ?
F2 C40 C18 112.8(6) . . ?
F2 C40 F7 95.5(6) . . ?
F2 C40 F1 112.5(7) . . ?
F1 C40 C18 110.8(6) . . ?
F1 C40 F7 109.1(6) . . ?
F12 C67 C31 119.0(5) . . ?
F10 C67 C31 109.0(6) . . ?
F10 C67 F12 102.2(6) . . ?
F10 C67 F9 110.2(5) . . ?
F9 C67 C31 111.9(6) . . ?
F9 C67 F12 104.1(5) . . ?
F11 C68 C21 114.9(6) . . ?
F5 C68 C21 111.5(6) . . ?
F5 C68 F11 98.9(6) . . ?
F5 C68 F4 110.2(6) . . ?
F4 C68 C21 110.7(6) . . ?
F4 C68 F11 110.2(6) . . ?
F8 C65 C26 108.6(6) . . ?
F8 C65 F6 101.5(6) . . ?
F8 C65 F3 111.1(7) . . ?
F6 C65 C26 118.4(6) . . ?
F3 C65 C26 111.3(6) . . ?
F3 C65 F6 105.5(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C24 C27 -177.0(4) . . . . ?
Dy1 O1 C24 C42 2.9(10) . . . . ?
Dy1 O7 C23 C37 -7.8(9) . . . . ?
Dy1 O7 C23 C63 173.9(4) . . . . ?
Dy1 O5 C34 C32 -23.5(8) . . . . ?
Dy1 O5 C34 C58 158.3(4) . . . . ?
Dy1 O4 C30 C33 -170.4(4) . . . . ?
Dy1 O4 C30 C35 13.0(9) . . . . ?
Dy1 O8 C31 C37 26.1(10) . . . . ?
Dy1 O8 C31 C67 -155.5(4) . . . . ?
Dy1 O6 C26 C32 27.8(10) . . . . ?
Dy1 O6 C26 C65 -153.6(4) . . . . ?
Dy1 O3 C21 C35 -30.4(9) . . . . ?
Dy1 O3 C21 C68 155.1(4) . . . . ?
O1 Dy1 O7 C23 148.4(6) . . . . ?
O1 Dy1 O5 C34 -12.9(6) . . . . ?
O1 Dy1 O4 C30 3.1(7) . . . . ?
O1 Dy1 O8 C31 -83.9(5) . . . . ?
O1 Dy1 O6 C26 116.2(6) . . . . ?
O1 Dy1 O3 C21 -135.4(5) . . . . ?
O1 Dy1 O2 C18 16.0(5) . . . . ?
O1 C24 C27 S4 -13.3(8) . . . . ?
O1 C24 C27 C69 167.5(5) . . . . ?
O1 C24 C42 C18 6.1(9) . . . . ?
O7 Dy1 O1 C24 -140.7(7) . . . . ?
O7 Dy1 O5 C34 -43.0(5) . . . . ?
O7 Dy1 O4 C30 168.6(5) . . . . ?
O7 Dy1 O8 C31 -28.8(5) . . . . ?
O7 Dy1 O6 C26 46.3(5) . . . . ?
O7 Dy1 O3 C21 -167.6(4) . . . . ?
O7 Dy1 O2 C18 68.5(5) . . . . ?
O7 C23 C37 C31 -9.7(10) . . . . ?
O7 C23 C63 S1 2.2(8) . . . . ?
O7 C23 C63 C81 -179.1(7) . . . . ?
O5 Dy1 O1 C24 -172.8(6) . . . . ?
O5 Dy1 O7 C23 -53.3(5) . . . . ?
O5 Dy1 O4 C30 -161.1(6) . . . . ?
O5 Dy1 O8 C31 51.0(5) . . . . ?
O5 Dy1 O6 C26 -33.9(5) . . . . ?
O5 Dy1 O3 C21 82.0(5) . . . . ?
O5 Dy1 O2 C18 174.1(4) . . . . ?
O5 C34 C58 S2 -0.9(8) . . . . ?
O5 C34 C58 C66 -179.6(5) . . . . ?
O4 Dy1 O1 C24 29.0(8) . . . . ?
O4 Dy1 O7 C23 -24.8(6) . . . . ?
O4 Dy1 O5 C34 156.9(5) . . . . ?
O4 Dy1 O8 C31 121.9(5) . . . . ?
O4 Dy1 O6 C26 -90.3(5) . . . . ?
O4 Dy1 O3 C21 31.5(5) . . . . ?
O4 Dy1 O2 C18 -147.4(5) . . . . ?
O4 C30 C33 S3 -5.1(8) . . . . ?
O4 C30 C33 C70 179.0(5) . . . . ?
O4 C30 C35 C21 9.1(9) . . . . ?
O8 Dy1 O1 C24 -80.0(6) . . . . ?
O8 Dy1 O7 C23 20.6(5) . . . . ?
O8 Dy1 O5 C34 -124.3(5) . . . . ?
O8 Dy1 O4 C30 122.1(6) . . . . ?
O8 Dy1 O6 C26 1.8(6) . . . . ?
O8 Dy1 O3 C21 -11.5(6) . . . . ?
O8 Dy1 O2 C18 139.0(5) . . . . ?
O8 C31 C37 C23 0.4(11) . . . . ?
O8 C31 C67 F12 58.4(8) . . . . ?
O8 C31 C67 F10 -58.0(7) . . . . ?
O8 C31 C67 F9 179.9(5) . . . . ?
O6 Dy1 O1 C24 141.3(6) . . . . ?
O6 Dy1 O7 C23 -132.0(6) . . . . ?
O6 Dy1 O5 C34 32.6(5) . . . . ?
O6 Dy1 O4 C30 -100.0(6) . . . . ?
O6 Dy1 O8 C31 14.5(6) . . . . ?
O6 Dy1 O3 C21 149.9(5) . . . . ?
O6 Dy1 O2 C18 -25.4(6) . . . . ?
O6 C26 C32 C34 0.1(11) . . . . ?
O6 C26 C65 F8 -49.2(8) . . . . ?
O6 C26 C65 F6 65.8(8) . . . . ?
O6 C26 C65 F3 -171.8(6) . . . . ?
O3 Dy1 O1 C24 58.8(6) . . . . ?
O3 Dy1 O7 C23 -176.4(5) . . . . ?
O3 Dy1 O5 C34 103.5(5) . . . . ?
O3 Dy1 O4 C30 -27.9(6) . . . . ?
O3 Dy1 O8 C31 164.9(5) . . . . ?
O3 Dy1 O6 C26 -157.6(6) . . . . ?
O3 Dy1 O2 C18 -73.7(5) . . . . ?
O3 C21 C35 C30 0.0(11) . . . . ?
O3 C21 C68 F11 -55.2(8) . . . . ?
O3 C21 C68 F5 56.3(8) . . . . ?
O3 C21 C68 F4 179.2(6) . . . . ?
O2 Dy1 O1 C24 -11.2(6) . . . . ?
O2 Dy1 O7 C23 92.4(6) . . . . ?
O2 Dy1 O5 C34 -160.8(5) . . . . ?
O2 Dy1 O4 C30 41.5(6) . . . . ?
O2 Dy1 O8 C31 -149.2(6) . . . . ?
O2 Dy1 O6 C26 157.5(5) . . . . ?
O2 Dy1 O3 C21 -60.6(5) . . . . ?
O2 C18 C42 C24 1.4(11) . . . . ?
O2 C18 C40 F7 -53.1(8) . . . . ?
O2 C18 C40 F2 55.1(9) . . . . ?
O2 C18 C40 F1 -177.7(6) . . . . ?
C23 C63 C81 C53 179.2(6) . . . . ?
C24 C27 S4 C54 176.5(5) . . . . ?
C24 C27 C69 C62 -175.5(5) . . . . ?
C26 C32 C34 O5 -1.1(10) . . . . ?
C26 C32 C34 C58 176.9(6) . . . . ?
C27 C24 C42 C18 -174.0(6) . . . . ?
C27 S4 C54 C62 1.7(6) . . . . ?
C27 C69 C62 C54 -4.2(7) . . . . ?
C30 C33 S3 C57 177.1(5) . . . . ?
C30 C33 C70 C64 -175.9(5) . . . . ?
C32 C26 C65 F8 129.6(7) . . . . ?
C32 C26 C65 F6 -115.5(8) . . . . ?
C32 C26 C65 F3 7.0(10) . . . . ?
C32 C34 C58 S2 -179.1(5) . . . . ?
C32 C34 C58 C66 2.3(9) . . . . ?
C33 C30 C35 C21 -167.5(6) . . . . ?
C33 S3 C57 C64 2.2(7) . . . . ?
C33 C70 C64 C57 -6.6(7) . . . . ?
C35 C21 C68 F11 129.5(6) . . . . ?
C35 C21 C68 F5 -119.0(7) . . . . ?
C35 C21 C68 F4 4.0(9) . . . . ?
C35 C30 C33 S3 171.4(5) . . . . ?
C35 C30 C33 C70 -4.6(9) . . . . ?
C37 C23 C63 S1 -176.1(5) . . . . ?
C37 C23 C63 C81 2.5(11) . . . . ?
C37 C31 C67 F12 -123.1(7) . . . . ?
C37 C31 C67 F10 120.5(7) . . . . ?
C37 C31 C67 F9 -1.6(9) . . . . ?
C42 C18 O2 Dy1 -17.3(10) . . . . ?
C42 C18 C40 F7 129.2(7) . . . . ?
C42 C18 C40 F2 -122.5(7) . . . . ?
C42 C18 C40 F1 4.6(9) . . . . ?
C42 C24 C27 S4 166.8(5) . . . . ?
C42 C24 C27 C69 -12.5(9) . . . . ?
S4 C27 C69 C62 5.1(5) . . . . ?
S3 C33 C70 C64 7.9(5) . . . . ?
S2 C56 C52 C66 -0.6(9) . . . . ?
S1 C63 C81 C53 -2.1(7) . . . . ?
C70 C33 S3 C57 -6.3(5) . . . . ?
C70 C64 C57 S3 2.8(8) . . . . ?
C69 C27 S4 C54 -4.1(5) . . . . ?
C69 C62 C54 S4 1.5(8) . . . . ?
N1 C61 C97 C99 87.1(8) . . . . ?
N1 C60 C98 C96 -168.4(6) . . . . ?
N1 C55 C79 C100 165.6(8) . . . . ?
N1 C50 C95 C91 173.8(6) . . . . ?
C63 C23 C37 C31 168.5(6) . . . . ?
C63 S1 C41 C53 0.2(7) . . . . ?
C63 C81 C53 C41 2.4(10) . . . . ?
C61 N1 C60 C98 -171.2(6) . . . . ?
C61 N1 C55 C79 65.8(8) . . . . ?
C61 N1 C50 C95 -64.3(8) . . . . ?
C60 N1 C61 C97 -178.5(6) . . . . ?
C60 N1 C55 C79 -57.5(9) . . . . ?
C60 N1 C50 C95 53.5(7) . . . . ?
C60 C98 C96 C90 -179.3(6) . . . . ?
C58 S2 C56 C52 0.8(6) . . . . ?
C58 C66 C52 C56 0.0(9) . . . . ?
C56 S2 C58 C34 -179.6(5) . . . . ?
C56 S2 C58 C66 -0.9(5) . . . . ?
C81 C53 C41 S1 -1.5(10) . . . . ?
C55 N1 C61 C97 54.1(8) . . . . ?
C55 N1 C60 C98 -48.9(8) . . . . ?
C55 N1 C50 C95 -180.0(6) . . . . ?
C55 C79 C100 C101 -171.8(9) . . . . ?
C52 C66 C58 C34 179.3(6) . . . . ?
C52 C66 C58 S2 0.6(6) . . . . ?
C50 N1 C61 C97 -61.7(8) . . . . ?
C50 N1 C60 C98 72.4(7) . . . . ?
C50 N1 C55 C79 -178.7(7) . . . . ?
C50 C95 C91 C77 178.0(6) . . . . ?
C41 S1 C63 C23 -180.0(6) . . . . ?
C41 S1 C63 C81 1.2(6) . . . . ?
C99 C93 C78 C76 -179.1(7) . . . . ?
C98 C96 C90 C92 -179.2(7) . . . . ?
C97 C99 C93 C78 -178.7(7) . . . . ?
C95 C91 C77 C74 77.3(10) . . . . ?
C94 C92 C90 C96 -179.3(8) . . . . ?
C93 C99 C97 C61 169.7(6) . . . . ?
C91 C77 C74 C73 179.5(8) . . . . ?
C79 C100 C101 C103 175.7(13) . . . . ?
C100 C101 C103 C102 -178.7(13) . . . . ?
C40 C18 O2 Dy1 165.4(4) . . . . ?
C40 C18 C42 C24 178.4(6) . . . . ?
C67 C31 C37 C23 -177.8(6) . . . . ?
C68 C21 C35 C30 174.0(6) . . . . ?
C65 C26 C32 C34 -178.5(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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 2070668'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2019-07-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C60 H44 O8 Tb, C24 H52 N'
_chemical_formula_sum            'C84 H96 Dy0 N O8 Tb'
_chemical_formula_weight         1406.54
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 N1 O1 Dy1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.5301(4)
_cell_length_b                   24.4039(10)
_cell_length_c                   18.6421(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.114(3)
_cell_angle_gamma                90.00
_cell_volume                     7260.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14338
_cell_measurement_temperature    100.02(15)
_cell_measurement_theta_max      26.9040
_cell_measurement_theta_min      2.8286
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71154
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2944
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_av_unetI/netI     0.1017
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            44787
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         26.96
_diffrn_reflns_theta_min         2.83
_diffrn_ambient_temperature      100.02(15)
_diffrn_detector_area_resol_mean 10.3914
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.867
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -27.00    0.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       10.9950  -56.0000  -43.5004 27

#__ type_ start__ end____ width___ exp.time_
  2 omega  -15.00   12.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       10.9950  -57.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
  3 omega   27.00   53.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       10.9950  -99.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega  -22.00  100.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       10.9950   19.0000  -30.0000 122

#__ type_ start__ end____ width___ exp.time_
  5 omega  -20.00   48.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       10.9950  -57.0000 -180.0000 68

#__ type_ start__ end____ width___ exp.time_
  6 omega  -20.00   17.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.7763  -99.0000  120.0000 37

#__ type_ start__ end____ width___ exp.time_
  7 omega  -11.00   14.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.7763   57.0000  150.0000 25
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0204039000
_diffrn_orient_matrix_UB_12      0.0198184000
_diffrn_orient_matrix_UB_13      -0.0170079000
_diffrn_orient_matrix_UB_21      -0.0256565000
_diffrn_orient_matrix_UB_22      0.0208098000
_diffrn_orient_matrix_UB_23      0.0089425000
_diffrn_orient_matrix_UB_31      0.0299845000
_diffrn_orient_matrix_UB_32      0.0043622000
_diffrn_orient_matrix_UB_33      0.0344227000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                9087
_reflns_number_total             13683
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     23.77
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.747
_refine_diff_density_min         -2.555
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     886
_refine_ls_number_reflns         13683
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.0917
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0377P)²+59.2925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1659
_refine_ls_wR_factor_ref         0.1942
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C88, C89
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0001
3. Uiso/Uaniso restraints and constraints
Uanis(C27) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C88) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
4. Others
 Sof(C47)=Sof(H47)=Sof(C48)=Sof(H48)=Sof(C49)=Sof(C50)=Sof(H50)=Sof(C51)=
 Sof(H51)=Sof(C52)=Sof(H52)=1-FVAR(1)
 Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=Sof(C6)=Sof(C7)=Sof(H7)=
 Sof(C8)=Sof(H8)=FVAR(1)
5.a :
 C27(C28,C29,C30,C31,C32)
5.b Secondary CH2 refined with riding coordinates:
 C67(H67A,H67B), C72(H72A,H72B), C73(H73A,H73B), C74(H74A,H74B), C75(H75A,
 H75B), C76(H76A,H76B), C77(H77A,H77B), C78(H78A,H78B), C79(H79A,H79B),
 C80(H80A,H80B), C81(H81A,H81B), C82(H82A,H82B), C84(H84A,H84B), C85(H85A,H85B),
  C86(H86A,H86B), C87(H87A,H87B), C88(H88A,H88B), C90(H90A,H90B), C54(H54A,
 H54B), C53(H53A,H53B)
5.c Me refined with riding coordinates:
 C16(H16A,H16B,H16C), C65(H65A,H65B,H65C), C83(H83A,H83B,H83C), C89(H89A,H89B,
 H89C)
5.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C11(H11),
 C14(H14), C15(H15), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
  C25(H25), C27(H27), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C36(H36), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42), C43(H43),
  C45(H45), C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C55(H55),
 C56(H56), C57(H57), C59(H59), C60(H60), C62(H62), C66(H66), C68(H68), C69(H69),
  C70(H70), C71(H71)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb1 Tb 0.497523(19) 0.23835(2) 0.282042(18) 0.04184(17) Uani 1 d . . . .
O1 O 0.5045(3) 0.3142(3) 0.3633(3) 0.0527(18) Uani 1 d A . . .
O2 O 0.4716(3) 0.2093(3) 0.3939(3) 0.0466(16) Uani 1 d A . . .
O3 O 0.6017(3) 0.1740(3) 0.3280(3) 0.0483(17) Uani 1 d . . . .
O4 O 0.6281(3) 0.2794(3) 0.2930(3) 0.0488(17) Uani 1 d . . . .
O5 O 0.4555(3) 0.3142(3) 0.2040(3) 0.0499(17) Uani 1 d . . . .
O6 O 0.3534(3) 0.2527(3) 0.2659(3) 0.0504(18) Uani 1 d . . . .
O7 O 0.4263(3) 0.1555(3) 0.2427(3) 0.0461(16) Uani 1 d . . . .
O8 O 0.5333(3) 0.2087(3) 0.1742(3) 0.0482(17) Uani 1 d . . . .
C1 C 0.4816(7) 0.4234(6) 0.3760(5) 0.078(4) Uani 1 d . . . .
H1 H 0.5167 0.4101 0.3483 0.094 Uiso 1 calc . . R .
C2 C 0.3931(6) 0.4082(6) 0.4573(5) 0.088(4) Uani 1 d . . . .
H2 H 0.3663 0.3849 0.4832 0.105 Uiso 1 calc . . R .
C3 C 0.3302(9) 0.1279(8) 0.5710(8) 0.064(5) Uani 0.741(11) d A 1 . .
H3 H 0.3061 0.1047 0.5991 0.076 Uiso 0.741(11) calc A 1 R .
C4 C 0.3389(9) 0.1106(7) 0.5024(7) 0.060(4) Uani 0.741(11) d A 1 . .
H4 H 0.3210 0.0759 0.4843 0.072 Uiso 0.741(11) calc A 1 R .
C5 C 0.3751(15) 0.1466(11) 0.4612(13) 0.063(8) Uani 0.741(11) d A 1 . .
H5 H 0.3830 0.1350 0.4160 0.075 Uiso 0.741(11) calc A 1 R .
C6 C 0.3995(7) 0.1991(6) 0.4864(6) 0.043(4) Uani 0.741(11) d A 1 . .
C7 C 0.3920(6) 0.2148(6) 0.5560(5) 0.053(4) Uani 0.741(11) d A 1 . .
H7 H 0.4104 0.2493 0.5746 0.064 Uiso 0.741(11) calc A 1 R .
C8 C 0.3571(7) 0.1792(7) 0.5978(6) 0.060(4) Uani 0.741(11) d A 1 . .
H8 H 0.3518 0.1901 0.6442 0.072 Uiso 0.741(11) calc A 1 R .
C9 C 0.4673(9) 0.4786(7) 0.3779(7) 0.113(5) Uani 1 d . . . .
H9 H 0.4919 0.5021 0.3504 0.136 Uiso 1 calc . . R .
C10 C 0.4336(5) 0.2319(6) 0.4364(4) 0.060(3) Uani 1 d . . . .
C11 C 0.4232(5) 0.2873(6) 0.4433(4) 0.066(4) Uani 1 d A . . .
H11 H 0.3908 0.2992 0.4743 0.079 Uiso 1 calc . . R .
C12 C 0.4588(4) 0.3272(5) 0.4059(4) 0.055(3) Uani 1 d . . . .
C13 C 0.4451(5) 0.3875(6) 0.4142(4) 0.069(4) Uani 1 d A . . .
C14 C 0.4175(13) 0.5001(9) 0.4193(10) 0.162(9) Uani 1 d . . . .
H14 H 0.4077 0.5376 0.4195 0.195 Uiso 1 calc . . R .
C15 C 0.3833(10) 0.4659(8) 0.4595(8) 0.127(7) Uani 1 d . . . .
H15 H 0.3521 0.4804 0.4899 0.152 Uiso 1 calc . . R .
C16 C 0.3984(8) 0.3963(9) 0.7204(9) 0.185(11) Uani 1 d . . . .
H16A H 0.3909 0.4064 0.7680 0.277 Uiso 1 calc . . R .
H16B H 0.3618 0.3664 0.7005 0.277 Uiso 1 calc . . R .
H16C H 0.3855 0.4270 0.6872 0.277 Uiso 1 calc . . R .
C17 C 0.4620(8) 0.5071(5) 0.1220(6) 0.078(3) Uani 1 d . . . .
H17 H 0.4766 0.5408 0.1057 0.093 Uiso 1 calc . . R .
C18 C 0.7143(5) 0.1135(4) 0.3539(4) 0.048(3) Uani 1 d . . . .
C19 C 0.7980(5) 0.1051(5) 0.3923(5) 0.057(3) Uani 1 d . . . .
H19 H 0.8349 0.1346 0.3996 0.068 Uiso 1 calc . . R .
C20 C 0.8267(6) 0.0561(6) 0.4186(7) 0.088(4) Uani 1 d . . . .
H20 H 0.8830 0.0520 0.4431 0.105 Uiso 1 calc . . R .
C21 C 0.7737(7) 0.0112(6) 0.4100(9) 0.113(6) Uani 1 d . . . .
H21 H 0.7933 -0.0229 0.4294 0.135 Uiso 1 calc . . R .
C22 C 0.6893(6) 0.0188(6) 0.3711(8) 0.099(5) Uani 1 d . . . .
H22 H 0.6528 -0.0109 0.3629 0.119 Uiso 1 calc . . R .
C23 C 0.6607(5) 0.0689(5) 0.3454(6) 0.072(4) Uani 1 d . . . .
H23 H 0.6043 0.0735 0.3216 0.086 Uiso 1 calc . . R .
C24 C 0.6786(4) 0.1675(5) 0.3295(4) 0.050(3) Uani 1 d . . . .
C25 C 0.7284(4) 0.2095(5) 0.3111(4) 0.052(3) Uani 1 d . . . .
H25 H 0.7827 0.2009 0.3094 0.062 Uiso 1 calc . . R .
C26 C 0.7008(4) 0.2626(5) 0.2953(4) 0.049(3) Uani 1 d . . . .
C27 C 0.3996(6) 0.0151(4) 0.1817(4) 0.119(5) Uani 1 d . . . U
H27 H 0.4460 0.0105 0.1629 0.143 Uiso 1 calc . . R .
C28 C 0.3835(4) 0.0657(3) 0.2083(3) 0.061(3) Uani 1 d . . G .
C29 C 0.3147(4) 0.0726(3) 0.2363(3) 0.050(2) Uani 1 d . . G .
H29 H 0.3038 0.1066 0.2542 0.060 Uiso 1 calc . . R .
C30 C 0.2619(5) 0.0289(4) 0.2377(4) 0.090(4) Uani 1 d . . G .
H30 H 0.2155 0.0336 0.2565 0.108 Uiso 1 calc . . R .
C31 C 0.2780(7) -0.0216(4) 0.2112(5) 0.151(9) Uani 1 d . . G .
H31 H 0.2425 -0.0510 0.2122 0.181 Uiso 1 calc . . R .
C32 C 0.3469(8) -0.0285(4) 0.1832(5) 0.188(9) Uiso 1 d . . G .
H32 H 0.3578 -0.0625 0.1653 0.226 Uiso 1 calc . . R .
C33 C 0.8626(7) 0.3995(6) 0.2694(6) 0.078(3) Uani 1 d . . . .
H33 H 0.8944 0.4297 0.2631 0.094 Uiso 1 calc . . R .
C34 C 0.8474(5) 0.3090(5) 0.3151(5) 0.062(3) Uani 1 d . . . .
H34 H 0.8724 0.2790 0.3431 0.075 Uiso 1 calc . . R .
C35 C 0.7596(5) 0.3068(6) 0.2826(5) 0.074(4) Uani 1 d . . . .
C36 C 0.7793(6) 0.3984(6) 0.2416(5) 0.075(4) Uani 1 d . . . .
H36 H 0.7534 0.4278 0.2131 0.091 Uiso 1 calc . . R .
C37 C 0.7303(5) 0.3554(5) 0.2534(5) 0.062(3) Uani 1 d . . . .
H37 H 0.6726 0.3605 0.2402 0.074 Uiso 1 calc . . R .
C38 C 0.5795(4) 0.1595(4) 0.0830(4) 0.040(2) Uani 1 d . . . .
C39 C 0.5522(5) 0.1280(4) 0.0185(4) 0.045(2) Uani 1 d . . . .
H39 H 0.5024 0.1084 0.0102 0.054 Uiso 1 calc . . R .
C40 C 0.5993(5) 0.1261(4) -0.0329(4) 0.054(3) Uani 1 d . . . .
H40 H 0.5815 0.1047 -0.0753 0.065 Uiso 1 calc . . R .
C41 C 0.6724(6) 0.1559(5) -0.0214(5) 0.069(3) Uani 1 d . . . .
H41 H 0.7037 0.1548 -0.0563 0.083 Uiso 1 calc . . R .
C42 C 0.6996(6) 0.1876(5) 0.0426(5) 0.066(3) Uani 1 d . . . .
H42 H 0.7489 0.2078 0.0506 0.079 Uiso 1 calc . . R .
C43 C 0.6530(5) 0.1890(4) 0.0940(4) 0.047(2) Uani 1 d . . . .
H43 H 0.6713 0.2101 0.1368 0.057 Uiso 1 calc . . R .
C44 C 0.5303(4) 0.1631(5) 0.1414(4) 0.043(3) Uani 1 d . . . .
C45 C 0.4864(5) 0.1161(4) 0.1534(4) 0.043(2) Uani 1 d . . . .
H45 H 0.4914 0.0842 0.1276 0.052 Uiso 1 calc . . R .
C46 C 0.4353(5) 0.1155(4) 0.2031(4) 0.045(2) Uani 1 d . . . .
C47 C 0.288(2) 0.1439(12) 0.5307(17) 0.025(7) Uani 0.259(11) d A 2 . .
H47 H 0.2645 0.1494 0.5703 0.030 Uiso 0.259(11) calc A 2 R .
C48 C 0.3399(16) 0.1847(12) 0.5142(15) 0.026(7) Uani 0.259(11) d A 2 . .
H48 H 0.3533 0.2167 0.5418 0.031 Uiso 0.259(11) calc A 2 R .
C49 C 0.369(4) 0.173(2) 0.453(3) 0.024(12) Uani 0.259(11) d A 2 . .
C50 C 0.3616(16) 0.1256(12) 0.4157(19) 0.024(7) Uani 0.259(11) d A 2 . .
H50 H 0.3901 0.1190 0.3796 0.029 Uiso 0.259(11) calc A 2 R .
C51 C 0.3099(18) 0.0875(15) 0.4332(17) 0.045(9) Uani 0.259(11) d A 2 . .
H51 H 0.3004 0.0549 0.4063 0.054 Uiso 0.259(11) calc A 2 R .
C52 C 0.2708(19) 0.0955(13) 0.4903(16) 0.036(8) Uani 0.259(11) d A 2 . .
H52 H 0.2345 0.0695 0.5009 0.043 Uiso 0.259(11) calc A 2 R .
C55 C 0.0725(6) 0.2675(6) 0.3089(5) 0.092(5) Uani 1 d . . . .
H55 H 0.0215 0.2601 0.3193 0.111 Uiso 1 calc . . R .
C56 C 0.0792(6) 0.3081(7) 0.2610(6) 0.120(7) Uani 1 d . . . .
H56 H 0.0325 0.3292 0.2391 0.144 Uiso 1 calc . . R .
C57 C 0.1553(5) 0.3186(6) 0.2440(5) 0.084(4) Uani 1 d . . . .
H57 H 0.1589 0.3471 0.2119 0.101 Uiso 1 calc . . R .
C58 C 0.2247(4) 0.2874(5) 0.2744(4) 0.061(3) Uani 1 d . . . .
C59 C 0.2177(5) 0.2466(5) 0.3224(4) 0.068(4) Uani 1 d . . . .
H59 H 0.2637 0.2244 0.3426 0.082 Uiso 1 calc . . R .
C60 C 0.1428(5) 0.2377(6) 0.3416(5) 0.079(4) Uani 1 d . . . .
H60 H 0.1404 0.2112 0.3770 0.094 Uiso 1 calc . . R .
C61 C 0.3076(5) 0.2941(5) 0.2549(4) 0.052(3) Uani 1 d . . . .
C62 C 0.3273(4) 0.3432(5) 0.2251(4) 0.053(3) Uani 1 d . . . .
H62 H 0.2900 0.3723 0.2209 0.064 Uiso 1 calc . . R .
C63 C 0.4002(5) 0.3514(5) 0.2009(4) 0.050(3) Uani 1 d . . . .
C64 C 0.4182(5) 0.4055(5) 0.1718(4) 0.052(3) Uani 1 d . . . .
C65 C 0.5383(10) 0.0405(15) 0.6039(12) 0.31(2) Uani 1 d . . . .
H65A H 0.5116 0.0054 0.5947 0.466 Uiso 1 calc . . R .
H65B H 0.4970 0.0681 0.6047 0.466 Uiso 1 calc . . R .
H65C H 0.5794 0.0400 0.6510 0.466 Uiso 1 calc . . R .
C66 C 0.8991(6) 0.3533(5) 0.3079(6) 0.067(3) Uani 1 d . . . .
H66 H 0.9567 0.3517 0.3286 0.081 Uiso 1 calc . . R .
C67 C 0.5827(11) 0.0542(7) 0.5399(9) 0.114(5) Uani 1 d . . . .
H67A H 0.6260 0.0279 0.5380 0.137 Uiso 1 calc . . R .
H67B H 0.5428 0.0567 0.4915 0.137 Uiso 1 calc . . R .
C68 C 0.5198(8) 0.4681(7) 0.1499(10) 0.128(6) Uani 1 d . . . .
H68 H 0.5759 0.4751 0.1528 0.153 Uiso 1 calc . . R .
C69 C 0.3810(9) 0.4939(8) 0.1191(8) 0.114(6) Uani 1 d . . . .
H69 H 0.3389 0.5191 0.0991 0.137 Uiso 1 calc . . R .
C70 C 0.4980(7) 0.4187(7) 0.1739(9) 0.117(6) Uani 1 d . . . .
H70 H 0.5399 0.3931 0.1924 0.141 Uiso 1 calc . . R .
C71 C 0.3596(7) 0.4449(7) 0.1446(7) 0.100(5) Uani 1 d . . . .
H71 H 0.3038 0.4383 0.1435 0.120 Uiso 1 calc . . R .
C72 C 0.4873(6) 0.3793(7) 0.7290(6) 0.107(6) Uani 1 d . . . .
H72A H 0.5005 0.3497 0.7648 0.129 Uiso 1 calc . . R .
H72B H 0.5236 0.4099 0.7491 0.129 Uiso 1 calc . . R .
C73 C 0.6133(13) 0.1011(7) 0.5635(6) 0.165(10) Uani 1 d . . . .
H73A H 0.6667 0.0939 0.5988 0.198 Uiso 1 calc . . R .
H73B H 0.5769 0.1162 0.5918 0.198 Uiso 1 calc . . R .
C74 C 0.6278(5) 0.1443(4) 0.5163(4) 0.053(3) Uani 1 d . . . .
H74A H 0.5756 0.1511 0.4791 0.063 Uiso 1 calc . . R .
H74B H 0.6676 0.1310 0.4903 0.063 Uiso 1 calc . . R .
C75 C 0.6588(8) 0.1971(6) 0.5505(5) 0.097(5) Uani 1 d . . . .
H75A H 0.7117 0.1907 0.5871 0.116 Uiso 1 calc . . R .
H75B H 0.6195 0.2105 0.5770 0.116 Uiso 1 calc . . R .
C76 C 0.6720(5) 0.2412(4) 0.4994(4) 0.044(2) Uani 1 d . . . .
H76A H 0.6177 0.2559 0.4735 0.053 Uiso 1 calc . . R .
H76B H 0.6962 0.2248 0.4623 0.053 Uiso 1 calc . . R .
C77 C 0.5068(5) 0.3606(6) 0.6571(5) 0.098(5) Uani 1 d . . . .
H77A H 0.4716 0.3293 0.6378 0.117 Uiso 1 calc . . R .
H77B H 0.4917 0.3899 0.6208 0.117 Uiso 1 calc . . R .
C78 C 0.8188(4) 0.2686(4) 0.5623(4) 0.047(3) Uani 1 d . . . .
H78A H 0.8511 0.2955 0.5962 0.057 Uiso 1 calc . . R .
H78B H 0.8194 0.2349 0.5899 0.057 Uiso 1 calc . . R .
C79 C 0.8619(4) 0.2582(4) 0.5007(4) 0.043(2) Uani 1 d . . . .
H79A H 0.8212 0.2451 0.4567 0.051 Uiso 1 calc . . R .
H79B H 0.8854 0.2922 0.4882 0.051 Uiso 1 calc . . R .
C80 C 0.9310(5) 0.2161(5) 0.5255(4) 0.053(3) Uani 1 d . . . .
H80A H 0.9061 0.1813 0.5329 0.063 Uiso 1 calc . . R .
H80B H 0.9674 0.2274 0.5729 0.063 Uiso 1 calc . . R .
C81 C 0.9838(5) 0.2082(5) 0.4701(5) 0.061(3) Uani 1 d . . . .
H81A H 1.0206 0.2395 0.4726 0.074 Uiso 1 calc . . R .
H81B H 0.9471 0.2065 0.4202 0.074 Uiso 1 calc . . R .
C82 C 1.0394(6) 0.1529(7) 0.4868(6) 0.103(5) Uani 1 d . . . .
H82A H 1.0054 0.1225 0.4957 0.124 Uiso 1 calc . . R .
H82B H 1.0610 0.1439 0.4447 0.124 Uiso 1 calc . . R .
C83 C 1.1076(8) 0.1629(8) 0.5519(10) 0.159(8) Uani 1 d . . . .
H83A H 1.1412 0.1304 0.5639 0.238 Uiso 1 calc . . R .
H83B H 1.0855 0.1724 0.5930 0.238 Uiso 1 calc . . R .
H83C H 1.1416 0.1924 0.5421 0.238 Uiso 1 calc . . R .
C84 C 0.7189(5) 0.3342(4) 0.4790(4) 0.043(2) Uani 1 d . . . .
H84A H 0.7374 0.3205 0.4370 0.052 Uiso 1 calc . . R .
H84B H 0.6599 0.3433 0.4610 0.052 Uiso 1 calc . . R .
C85 C 0.7669(6) 0.3860(4) 0.5068(5) 0.052(3) Uani 1 d . . . .
H85A H 0.7385 0.4058 0.5383 0.063 Uiso 1 calc . . R .
H85B H 0.8225 0.3765 0.5365 0.063 Uiso 1 calc . . R .
C86 C 0.7741(7) 0.4222(5) 0.4436(6) 0.073(3) Uani 1 d . . . .
H86A H 0.7185 0.4338 0.4160 0.087 Uiso 1 calc . . R .
H86B H 0.7986 0.4015 0.4101 0.087 Uiso 1 calc . . R .
C87 C 0.8277(10) 0.4726(6) 0.4705(8) 0.123(7) Uani 1 d . . . .
H87A H 0.8702 0.4632 0.5154 0.148 Uiso 1 calc . . R .
H87B H 0.7926 0.5009 0.4832 0.148 Uiso 1 calc . . R .
C88 C 0.8722(14) 0.4964(10) 0.4112(14) 0.216(12) Uani 1 d . . . U
H88A H 0.9190 0.5203 0.4333 0.259 Uiso 1 calc . . R .
H88B H 0.8899 0.4680 0.3822 0.259 Uiso 1 calc . . R .
C89 C 0.8022(10) 0.5251(8) 0.3707(9) 0.136(7) Uani 1 d . . . U
H89A H 0.8156 0.5435 0.3298 0.205 Uiso 1 calc . . R .
H89B H 0.7858 0.5517 0.4023 0.205 Uiso 1 calc . . R .
H89C H 0.7569 0.5000 0.3522 0.205 Uiso 1 calc . . R .
C90 C 0.7039(4) 0.3087(4) 0.6051(4) 0.044(2) Uani 1 d . . . .
H90A H 0.7146 0.2794 0.6415 0.053 Uiso 1 calc . . R .
H90B H 0.7398 0.3392 0.6261 0.053 Uiso 1 calc . . R .
C54 C 0.6141(5) 0.3265(5) 0.5922(4) 0.066(3) Uani 1 d . . . .
H54A H 0.5774 0.2962 0.5714 0.079 Uiso 1 calc . . R .
H54B H 0.6028 0.3563 0.5566 0.079 Uiso 1 calc . . R .
C53 C 0.5955(5) 0.3452(5) 0.6642(4) 0.066(3) Uani 1 d . . . .
H53A H 0.6107 0.3160 0.7005 0.079 Uiso 1 calc . . R .
H53B H 0.6308 0.3765 0.6833 0.079 Uiso 1 calc . . R .
N1 N 0.7281(3) 0.2888(3) 0.5359(3) 0.0390(18) Uani 1 d . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O1 2.375(6) . ?
Tb1 O2 2.346(5) . ?
Tb1 O3 2.324(6) . ?
Tb1 O4 2.341(5) . ?
Tb1 O5 2.345(6) . ?
Tb1 O6 2.348(5) . ?
Tb1 O7 2.357(6) . ?
Tb1 O8 2.352(5) . ?
O1 C12 1.270(9) . ?
O2 C10 1.260(10) . ?
O3 C24 1.274(8) . ?
O4 C26 1.259(9) . ?
O5 C63 1.279(10) . ?
O6 C61 1.247(11) . ?
O7 C46 1.257(10) . ?
O8 C44 1.265(11) . ?
C1 C9 1.371(18) . ?
C1 C13 1.363(16) . ?
C2 C13 1.415(12) . ?
C2 C15 1.42(2) . ?
C3 C4 1.389(17) . ?
C3 C8 1.38(2) . ?
C4 C5 1.40(3) . ?
C5 C6 1.39(3) . ?
C6 C7 1.389(14) . ?
C6 C10 1.450(16) . ?
C7 C8 1.389(19) . ?
C9 C14 1.370(19) . ?
C10 C11 1.373(15) . ?
C10 C49 1.86(6) . ?
C11 C12 1.413(15) . ?
C12 C13 1.502(16) . ?
C14 C15 1.34(2) . ?
C16 C72 1.495(16) . ?
C17 C68 1.353(17) . ?
C17 C69 1.365(18) . ?
C18 C19 1.398(11) . ?
C18 C23 1.385(14) . ?
C18 C24 1.468(14) . ?
C19 C20 1.332(15) . ?
C20 C21 1.386(17) . ?
C21 C22 1.407(14) . ?
C22 C23 1.352(16) . ?
C24 C25 1.410(13) . ?
C25 C26 1.380(14) . ?
C26 C35 1.511(14) . ?
C27 C28 1.381(5) . ?
C27 C32 1.381(5) . ?
C28 C29 1.380(5) . ?
C28 C46 1.505(12) . ?
C29 C30 1.381(5) . ?
C30 C31 1.380(5) . ?
C31 C32 1.381(5) . ?
C33 C36 1.339(13) . ?
C33 C66 1.388(15) . ?
C34 C35 1.421(11) . ?
C34 C66 1.407(14) . ?
C35 C37 1.342(15) . ?
C36 C37 1.377(14) . ?
C38 C39 1.397(11) . ?
C38 C43 1.380(12) . ?
C38 C44 1.523(10) . ?
C39 C40 1.384(10) . ?
C40 C41 1.379(13) . ?
C41 C42 1.395(13) . ?
C42 C43 1.378(11) . ?
C44 C45 1.405(13) . ?
C45 C46 1.408(11) . ?
C47 C48 1.40(4) . ?
C47 C52 1.39(4) . ?
C48 C49 1.39(6) . ?
C49 C50 1.33(7) . ?
C50 C51 1.36(4) . ?
C51 C52 1.39(4) . ?
C55 C56 1.357(17) . ?
C55 C60 1.372(13) . ?
C56 C57 1.398(13) . ?
C57 C58 1.371(12) . ?
C58 C59 1.362(14) . ?
C58 C61 1.515(11) . ?
C59 C60 1.394(11) . ?
C61 C62 1.396(14) . ?
C62 C63 1.406(11) . ?
C63 C64 1.488(14) . ?
C64 C70 1.349(14) . ?
C64 C71 1.365(15) . ?
C65 C67 1.59(2) . ?
C67 C73 1.281(18) . ?
C68 C70 1.366(19) . ?
C69 C71 1.367(19) . ?
C72 C77 1.528(11) . ?
C73 C74 1.432(16) . ?
C74 C75 1.471(15) . ?
C75 C76 1.490(14) . ?
C76 N1 1.532(11) . ?
C77 C53 1.485(12) . ?
C78 C79 1.522(10) . ?
C78 N1 1.532(9) . ?
C79 C80 1.516(12) . ?
C80 C81 1.527(11) . ?
C81 C82 1.617(16) . ?
C82 C83 1.446(17) . ?
C84 C85 1.511(12) . ?
C84 N1 1.514(11) . ?
C85 C86 1.502(13) . ?
C86 C87 1.522(15) . ?
C87 C88 1.59(3) . ?
C88 C89 1.40(3) . ?
C90 C54 1.504(10) . ?
C90 N1 1.525(8) . ?
C54 C53 1.523(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Tb1 O1 70.0(2) . . ?
O2 Tb1 O6 75.22(18) . . ?
O2 Tb1 O7 79.90(19) . . ?
O2 Tb1 O8 144.2(2) . . ?
O3 Tb1 O1 112.55(18) . . ?
O3 Tb1 O2 75.95(18) . . ?
O3 Tb1 O4 71.3(2) . . ?
O3 Tb1 O5 146.47(18) . . ?
O3 Tb1 O6 141.1(2) . . ?
O3 Tb1 O7 78.3(2) . . ?
O3 Tb1 O8 77.27(19) . . ?
O4 Tb1 O1 73.79(19) . . ?
O4 Tb1 O2 115.49(17) . . ?
O4 Tb1 O5 80.4(2) . . ?
O4 Tb1 O6 146.0(2) . . ?
O4 Tb1 O7 140.25(19) . . ?
O4 Tb1 O8 76.96(18) . . ?
O5 Tb1 O1 74.8(2) . . ?
O5 Tb1 O2 134.21(19) . . ?
O5 Tb1 O6 71.1(2) . . ?
O5 Tb1 O7 116.14(19) . . ?
O5 Tb1 O8 79.2(2) . . ?
O6 Tb1 O1 81.06(19) . . ?
O6 Tb1 O7 71.3(2) . . ?
O6 Tb1 O8 114.13(16) . . ?
O7 Tb1 O1 143.43(18) . . ?
O8 Tb1 O1 143.5(2) . . ?
O8 Tb1 O7 71.77(19) . . ?
C12 O1 Tb1 131.0(6) . . ?
C10 O2 Tb1 131.5(7) . . ?
C24 O3 Tb1 137.0(7) . . ?
C26 O4 Tb1 135.5(7) . . ?
C63 O5 Tb1 132.9(5) . . ?
C61 O6 Tb1 133.9(6) . . ?
C46 O7 Tb1 136.3(5) . . ?
C44 O8 Tb1 134.2(5) . . ?
C13 C1 C9 121.0(11) . . ?
C13 C2 C15 117.6(14) . . ?
C8 C3 C4 120.7(14) . . ?
C3 C4 C5 118.4(18) . . ?
C6 C5 C4 121.5(19) . . ?
C5 C6 C7 118.8(15) . . ?
C5 C6 C10 114.9(14) . . ?
C7 C6 C10 126.3(14) . . ?
C6 C7 C8 120.2(14) . . ?
C3 C8 C7 120.4(11) . . ?
C14 C9 C1 121.6(17) . . ?
O2 C10 C6 120.2(12) . . ?
O2 C10 C11 125.9(10) . . ?
O2 C10 C49 99.3(19) . . ?
C6 C10 C49 30.0(19) . . ?
C11 C10 C6 113.9(9) . . ?
C11 C10 C49 131.0(18) . . ?
C10 C11 C12 123.7(8) . . ?
O1 C12 C11 121.8(10) . . ?
O1 C12 C13 116.1(10) . . ?
C11 C12 C13 122.1(8) . . ?
C1 C13 C2 118.9(12) . . ?
C1 C13 C12 118.5(8) . . ?
C2 C13 C12 122.6(12) . . ?
C15 C14 C9 118.5(18) . . ?
C14 C15 C2 122.3(13) . . ?
C68 C17 C69 115.9(14) . . ?
C19 C18 C24 123.6(9) . . ?
C23 C18 C19 117.5(10) . . ?
C23 C18 C24 118.5(8) . . ?
C20 C19 C18 122.0(10) . . ?
C19 C20 C21 121.0(10) . . ?
C20 C21 C22 117.8(13) . . ?
C23 C22 C21 120.7(12) . . ?
C22 C23 C18 121.0(9) . . ?
O3 C24 C18 115.8(9) . . ?
O3 C24 C25 123.1(9) . . ?
C25 C24 C18 121.1(7) . . ?
C26 C25 C24 123.6(7) . . ?
O4 C26 C25 124.9(9) . . ?
O4 C26 C35 114.1(10) . . ?
C25 C26 C35 120.9(7) . . ?
C32 C27 C28 120.0 . . ?
C27 C28 C46 122.2(6) . . ?
C29 C28 C27 120.0 . . ?
C29 C28 C46 117.7(6) . . ?
C28 C29 C30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C30 C31 C32 120.0 . . ?
C31 C32 C27 120.0 . . ?
C36 C33 C66 116.6(12) . . ?
C66 C34 C35 124.5(11) . . ?
C34 C35 C26 125.9(9) . . ?
C37 C35 C26 121.1(7) . . ?
C37 C35 C34 111.1(10) . . ?
C33 C36 C37 122.9(12) . . ?
C35 C37 C36 124.9(9) . . ?
C39 C38 C44 122.2(8) . . ?
C43 C38 C39 119.3(7) . . ?
C43 C38 C44 118.5(7) . . ?
C40 C39 C38 120.0(8) . . ?
C41 C40 C39 120.3(8) . . ?
C40 C41 C42 119.9(8) . . ?
C43 C42 C41 119.7(9) . . ?
C42 C43 C38 120.9(8) . . ?
O8 C44 C38 115.8(8) . . ?
O8 C44 C45 126.7(7) . . ?
C45 C44 C38 117.4(8) . . ?
C44 C45 C46 122.4(9) . . ?
O7 C46 C28 115.7(7) . . ?
O7 C46 C45 124.3(9) . . ?
C45 C46 C28 119.9(8) . . ?
C52 C47 C48 122(3) . . ?
C49 C48 C47 114(3) . . ?
C48 C49 C10 108(4) . . ?
C50 C49 C10 125(4) . . ?
C50 C49 C48 127(4) . . ?
C49 C50 C51 117(3) . . ?
C50 C51 C52 122(3) . . ?
C47 C52 C51 118(3) . . ?
C56 C55 C60 118.3(9) . . ?
C55 C56 C57 121.1(10) . . ?
C58 C57 C56 120.6(11) . . ?
C57 C58 C61 123.6(9) . . ?
C59 C58 C57 118.2(8) . . ?
C59 C58 C61 118.2(8) . . ?
C58 C59 C60 121.1(9) . . ?
C55 C60 C59 120.6(10) . . ?
O6 C61 C58 114.9(10) . . ?
O6 C61 C62 124.5(8) . . ?
C62 C61 C58 120.5(9) . . ?
C61 C62 C63 123.9(9) . . ?
O5 C63 C62 123.2(10) . . ?
O5 C63 C64 115.9(7) . . ?
C62 C63 C64 120.8(9) . . ?
C70 C64 C63 119.2(10) . . ?
C70 C64 C71 115.9(13) . . ?
C71 C64 C63 124.8(10) . . ?
C33 C66 C34 118.8(10) . . ?
C73 C67 C65 98.5(16) . . ?
C17 C68 C70 121.8(12) . . ?
C17 C69 C71 122.3(13) . . ?
C64 C70 C68 122.7(12) . . ?
C64 C71 C69 121.4(12) . . ?
C16 C72 C77 114.6(10) . . ?
C67 C73 C74 124.0(11) . . ?
C73 C74 C75 118.3(9) . . ?
C74 C75 C76 116.6(7) . . ?
C75 C76 N1 115.8(6) . . ?
C53 C77 C72 115.2(8) . . ?
C79 C78 N1 115.0(6) . . ?
C80 C79 C78 110.3(7) . . ?
C79 C80 C81 113.4(7) . . ?
C80 C81 C82 111.8(8) . . ?
C83 C82 C81 107.5(12) . . ?
C85 C84 N1 115.0(6) . . ?
C86 C85 C84 111.4(7) . . ?
C85 C86 C87 112.0(10) . . ?
C86 C87 C88 113.6(11) . . ?
C89 C88 C87 95.2(19) . . ?
C54 C90 N1 115.0(6) . . ?
C90 C54 C53 111.4(6) . . ?
C77 C53 C54 114.7(7) . . ?
C78 N1 C76 109.1(6) . . ?
C84 N1 C76 107.7(5) . . ?
C84 N1 C78 111.9(6) . . ?
C84 N1 C90 111.1(7) . . ?
C90 N1 C76 110.8(6) . . ?
C90 N1 C78 106.4(5) . . ?

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
Tb1 O1 C12 C11 34.9(10) . . . . ?
Tb1 O1 C12 C13 -145.2(6) . . . . ?
Tb1 O2 C10 C6 157.3(7) . . . . ?
Tb1 O2 C10 C11 -25.6(11) . . . . ?
Tb1 O2 C10 C49 134.3(19) . . . . ?
Tb1 O3 C24 C18 -168.9(5) . . . . ?
Tb1 O3 C24 C25 12.9(11) . . . . ?
Tb1 O4 C26 C25 -18.0(11) . . . . ?
Tb1 O4 C26 C35 164.6(5) . . . . ?
Tb1 O5 C63 C62 -27.6(11) . . . . ?
Tb1 O5 C63 C64 150.7(5) . . . . ?
Tb1 O6 C61 C58 -159.4(5) . . . . ?
Tb1 O6 C61 C62 22.5(11) . . . . ?
Tb1 O7 C46 C28 166.6(5) . . . . ?
Tb1 O7 C46 C45 -16.4(12) . . . . ?
Tb1 O8 C44 C38 -165.8(4) . . . . ?
Tb1 O8 C44 C45 14.3(11) . . . . ?
O1 Tb1 O2 C10 36.2(7) . . . . ?
O1 Tb1 O3 C24 -82.8(7) . . . . ?
O1 Tb1 O4 C26 143.9(7) . . . . ?
O1 Tb1 O5 C63 -52.5(7) . . . . ?
O1 Tb1 O6 C61 46.1(6) . . . . ?
O1 Tb1 O7 C46 -171.0(6) . . . . ?
O1 Tb1 O8 C44 172.6(5) . . . . ?
O1 C12 C13 C1 0.2(11) . . . . ?
O1 C12 C13 C2 177.4(7) . . . . ?
O2 Tb1 O1 C12 -41.4(7) . . . . ?
O2 Tb1 O3 C24 -143.7(7) . . . . ?
O2 Tb1 O4 C26 86.1(6) . . . . ?
O2 Tb1 O5 C63 -11.7(8) . . . . ?
O2 Tb1 O6 C61 117.7(6) . . . . ?
O2 Tb1 O7 C46 -136.3(7) . . . . ?
O2 Tb1 O8 C44 19.4(7) . . . . ?
O2 C10 C11 C12 -4.0(13) . . . . ?
O2 C10 C49 C48 164(3) . . . . ?
O2 C10 C49 C50 -10(5) . . . . ?
O3 Tb1 O1 C12 -105.9(7) . . . . ?
O3 Tb1 O2 C10 157.0(7) . . . . ?
O3 Tb1 O4 C26 22.6(6) . . . . ?
O3 Tb1 O5 C63 -160.5(6) . . . . ?
O3 Tb1 O6 C61 161.2(6) . . . . ?
O3 Tb1 O7 C46 -58.7(7) . . . . ?
O3 Tb1 O8 C44 61.8(6) . . . . ?
O3 C24 C25 C26 5.2(11) . . . . ?
O4 Tb1 O1 C12 -167.1(8) . . . . ?
O4 Tb1 O2 C10 96.1(7) . . . . ?
O4 Tb1 O3 C24 -20.1(7) . . . . ?
O4 Tb1 O5 C63 -128.1(7) . . . . ?
O4 Tb1 O6 C61 3.8(8) . . . . ?
O4 Tb1 O7 C46 -18.3(8) . . . . ?
O4 Tb1 O8 C44 135.2(6) . . . . ?
O4 C26 C35 C34 147.3(10) . . . . ?
O4 C26 C35 C37 -15.6(12) . . . . ?
O5 Tb1 O1 C12 108.7(7) . . . . ?
O5 Tb1 O2 C10 -5.8(8) . . . . ?
O5 Tb1 O3 C24 13.8(8) . . . . ?
O5 Tb1 O4 C26 -139.2(6) . . . . ?
O5 Tb1 O6 C61 -30.8(6) . . . . ?
O5 Tb1 O7 C46 89.1(7) . . . . ?
O5 Tb1 O8 C44 -142.3(6) . . . . ?
O5 C63 C64 C70 -21.7(13) . . . . ?
O5 C63 C64 C71 160.6(9) . . . . ?
O6 Tb1 O1 C12 36.0(7) . . . . ?
O6 Tb1 O2 C10 -49.5(7) . . . . ?
O6 Tb1 O3 C24 173.0(6) . . . . ?
O6 Tb1 O4 C26 -172.3(6) . . . . ?
O6 Tb1 O5 C63 33.1(7) . . . . ?
O6 Tb1 O7 C46 146.0(7) . . . . ?
O6 Tb1 O8 C44 -78.8(7) . . . . ?
O6 C61 C62 C63 2.5(12) . . . . ?
O7 Tb1 O1 C12 -4.9(9) . . . . ?
O7 Tb1 O2 C10 -122.6(7) . . . . ?
O7 Tb1 O3 C24 133.9(7) . . . . ?
O7 Tb1 O4 C26 -19.5(8) . . . . ?
O7 Tb1 O5 C63 90.1(7) . . . . ?
O7 Tb1 O6 C61 -158.2(7) . . . . ?
O7 Tb1 O8 C44 -19.9(6) . . . . ?
O8 Tb1 O1 C12 154.9(7) . . . . ?
O8 Tb1 O2 C10 -160.4(7) . . . . ?
O8 Tb1 O3 C24 60.2(7) . . . . ?
O8 Tb1 O4 C26 -58.2(6) . . . . ?
O8 Tb1 O5 C63 153.4(8) . . . . ?
O8 Tb1 O6 C61 -99.0(6) . . . . ?
O8 Tb1 O7 C46 21.6(7) . . . . ?
O8 C44 C45 C46 3.4(12) . . . . ?
C1 C9 C14 C15 1(3) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C4 C3 C8 C7 1(2) . . . . ?
C4 C5 C6 C7 4(2) . . . . ?
C4 C5 C6 C10 -178.2(13) . . . . ?
C5 C6 C7 C8 -2.9(18) . . . . ?
C5 C6 C10 O2 -29.8(15) . . . . ?
C5 C6 C10 C11 152.8(12) . . . . ?
C5 C6 C10 C49 21(4) . . . . ?
C6 C7 C8 C3 0.5(17) . . . . ?
C6 C10 C11 C12 173.2(8) . . . . ?
C6 C10 C49 C48 26(2) . . . . ?
C6 C10 C49 C50 -147(7) . . . . ?
C7 C6 C10 O2 148.1(10) . . . . ?
C7 C6 C10 C11 -29.3(14) . . . . ?
C7 C6 C10 C49 -161(4) . . . . ?
C8 C3 C4 C5 0(2) . . . . ?
C9 C1 C13 C2 -1.2(15) . . . . ?
C9 C1 C13 C12 176.1(10) . . . . ?
C9 C14 C15 C2 -4(3) . . . . ?
C10 C6 C7 C8 179.3(10) . . . . ?
C10 C11 C12 O1 -0.8(12) . . . . ?
C10 C11 C12 C13 179.3(7) . . . . ?
C10 C49 C50 C51 -178(3) . . . . ?
C11 C10 C49 C48 -38(5) . . . . ?
C11 C10 C49 C50 149(3) . . . . ?
C11 C12 C13 C1 -179.8(8) . . . . ?
C11 C12 C13 C2 -2.6(11) . . . . ?
C13 C1 C9 C14 2(2) . . . . ?
C13 C2 C15 C14 4(2) . . . . ?
C15 C2 C13 C1 -1.3(14) . . . . ?
C15 C2 C13 C12 -178.5(9) . . . . ?
C16 C72 C77 C53 178.2(15) . . . . ?
C17 C68 C70 C64 0(3) . . . . ?
C17 C69 C71 C64 -3(2) . . . . ?
C18 C19 C20 C21 -1.0(19) . . . . ?
C18 C24 C25 C26 -172.9(7) . . . . ?
C19 C18 C23 C22 -2.1(15) . . . . ?
C19 C18 C24 O3 -148.3(8) . . . . ?
C19 C18 C24 C25 30.0(12) . . . . ?
C19 C20 C21 C22 1(2) . . . . ?
C20 C21 C22 C23 -2(2) . . . . ?
C21 C22 C23 C18 3(2) . . . . ?
C23 C18 C19 C20 1.3(14) . . . . ?
C23 C18 C24 O3 25.0(11) . . . . ?
C23 C18 C24 C25 -156.7(8) . . . . ?
C24 C18 C19 C20 174.7(10) . . . . ?
C24 C18 C23 C22 -175.9(10) . . . . ?
C24 C25 C26 O4 -2.6(12) . . . . ?
C24 C25 C26 C35 174.6(7) . . . . ?
C25 C26 C35 C34 -30.2(14) . . . . ?
C25 C26 C35 C37 166.9(9) . . . . ?
C26 C35 C37 C36 178.3(8) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C28 C46 O7 -165.3(6) . . . . ?
C27 C28 C46 C45 17.6(9) . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C29 C28 C46 O7 19.1(8) . . . . ?
C29 C28 C46 C45 -158.0(6) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C32 C27 C28 C46 -175.5(6) . . . . ?
C33 C36 C37 C35 -11.5(16) . . . . ?
C34 C35 C37 C36 13.1(14) . . . . ?
C35 C34 C66 C33 3.0(15) . . . . ?
C36 C33 C66 C34 0.2(15) . . . . ?
C38 C39 C40 C41 -1.1(14) . . . . ?
C38 C44 C45 C46 -176.5(6) . . . . ?
C39 C38 C43 C42 -0.2(14) . . . . ?
C39 C38 C44 O8 -145.8(8) . . . . ?
C39 C38 C44 C45 34.1(11) . . . . ?
C39 C40 C41 C42 0.6(16) . . . . ?
C40 C41 C42 C43 0.0(17) . . . . ?
C41 C42 C43 C38 -0.2(16) . . . . ?
C43 C38 C39 C40 0.9(13) . . . . ?
C43 C38 C44 O8 33.3(10) . . . . ?
C43 C38 C44 C45 -146.8(8) . . . . ?
C44 C38 C39 C40 -180.0(8) . . . . ?
C44 C38 C43 C42 -179.4(9) . . . . ?
C44 C45 C46 O7 -2.6(12) . . . . ?
C44 C45 C46 C28 174.3(7) . . . . ?
C46 C28 C29 C30 175.7(6) . . . . ?
C47 C48 C49 C10 178(2) . . . . ?
C47 C48 C49 C50 -9(7) . . . . ?
C48 C47 C52 C51 3(5) . . . . ?
C48 C49 C50 C51 10(7) . . . . ?
C49 C10 C11 C12 -157(3) . . . . ?
C49 C50 C51 C52 -4(5) . . . . ?
C50 C51 C52 C47 -2(4) . . . . ?
C52 C47 C48 C49 2(5) . . . . ?
C55 C56 C57 C58 1(2) . . . . ?
C56 C55 C60 C59 -4.0(19) . . . . ?
C56 C57 C58 C59 -1.2(18) . . . . ?
C56 C57 C58 C61 176.1(11) . . . . ?
C57 C58 C59 C60 -1.5(16) . . . . ?
C57 C58 C61 O6 -156.4(10) . . . . ?
C57 C58 C61 C62 21.8(14) . . . . ?
C58 C59 C60 C55 4.2(17) . . . . ?
C58 C61 C62 C63 -175.5(7) . . . . ?
C59 C58 C61 O6 20.9(11) . . . . ?
C59 C58 C61 C62 -160.9(8) . . . . ?
C60 C55 C56 C57 1(2) . . . . ?
C61 C58 C59 C60 -179.0(9) . . . . ?
C61 C62 C63 O5 0.1(12) . . . . ?
C61 C62 C63 C64 -178.1(7) . . . . ?
C62 C63 C64 C70 156.6(10) . . . . ?
C62 C63 C64 C71 -21.0(13) . . . . ?
C63 C64 C70 C68 -178.4(15) . . . . ?
C63 C64 C71 C69 179.7(12) . . . . ?
C65 C67 C73 C74 -151(2) . . . . ?
C66 C33 C36 C37 3.6(17) . . . . ?
C66 C34 C35 C26 -173.4(9) . . . . ?
C66 C34 C35 C37 -9.1(14) . . . . ?
C67 C73 C74 C75 176.6(19) . . . . ?
C68 C17 C69 C71 2(2) . . . . ?
C69 C17 C68 C70 0(2) . . . . ?
C70 C64 C71 C69 2(2) . . . . ?
C71 C64 C70 C68 0(2) . . . . ?
C72 C77 C53 C54 179.9(12) . . . . ?
C73 C74 C75 C76 -179.2(13) . . . . ?
C74 C75 C76 N1 -162.1(8) . . . . ?
C75 C76 N1 C78 70.4(9) . . . . ?
C75 C76 N1 C84 -168.1(8) . . . . ?
C75 C76 N1 C90 -46.4(10) . . . . ?
C78 C79 C80 C81 -173.5(8) . . . . ?
C79 C78 N1 C76 72.9(9) . . . . ?
C79 C78 N1 C84 -46.1(10) . . . . ?
C79 C78 N1 C90 -167.5(8) . . . . ?
C79 C80 C81 C82 -164.8(9) . . . . ?
C80 C81 C82 C83 -74.2(13) . . . . ?
C84 C85 C86 C87 -175.9(9) . . . . ?
C85 C84 N1 C76 177.1(6) . . . . ?
C85 C84 N1 C78 -63.1(8) . . . . ?
C85 C84 N1 C90 55.6(8) . . . . ?
C85 C86 C87 C88 152.9(15) . . . . ?
C86 C87 C88 C89 81.2(19) . . . . ?
C90 C54 C53 C77 -176.8(11) . . . . ?
C54 C90 N1 C76 -57.2(10) . . . . ?
C54 C90 N1 C78 -175.6(9) . . . . ?
C54 C90 N1 C84 62.5(10) . . . . ?
N1 C78 C79 C80 -154.3(8) . . . . ?
N1 C84 C85 C86 164.2(7) . . . . ?
N1 C90 C54 C53 179.6(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_wb10
_database_code_depnum_ccdc_archive 'CCDC 2070671'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2021-03-16 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2019-07-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'4(C60 H44 Dy O8), C120 H83 Dy2 O16, 2(C10 H16 N), 2(C10 H10 N), 2(C10 H15 N), 6(C H4 O), 2(C2 H7 O2)'
_chemical_formula_sum            'C430 H393 Dy6 N6 O58'
_chemical_formula_weight         7547.48
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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                   24.981(5)
_cell_length_b                   30.151(6)
_cell_length_c                   24.437(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.65(3)
_cell_angle_gamma                90
_cell_volume                     18345(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14937
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0.003
_cell_measurement_theta_min      0.001
_shelx_estimated_absorpt_T_max   0.821
_shelx_estimated_absorpt_T_min   0.784
_exptl_absorpt_coefficient_mu    1.282
_exptl_absorpt_correction_T_max  0.8212
_exptl_absorpt_correction_T_min  0.7836
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7750
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            63590
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.413
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21601
_reflns_number_total             32221
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.971
_refine_diff_density_min         -5.267
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2338
_refine_ls_number_reflns         32221
_refine_ls_number_restraints     116
_refine_ls_R_factor_all          0.1109
_refine_ls_R_factor_gt           0.0721
_refine_ls_restrained_S_all      5.756
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0854P)²+151.0656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1849
_refine_ls_wR_factor_ref         0.2002
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C212-C213
 1.5 with sigma of 0.01
 C212-N3
 1.5 with sigma of 0.01
 O03-H03
 0.85 with sigma of 0.01
 O04-H04
 0.85 with sigma of 0.01
 O02-H02
 0.85 with sigma of 0.01
 O01-H01
 0.85 with sigma of 0.01
 H06B-H132
 2.8 with sigma of 0.02
 H02A-H01
 2.8 with sigma of 0.02
 H04B-H04
 2.8 with sigma of 0.02
 H03-H06A
 2.8 with sigma of 0.02
 H06C-H02
 2.8 with sigma of 0.02
3. Rigid bond restraints
 C213, C218
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C213, C221
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C233, C234
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C325 \\sim C326 \\sim C193 \\sim C205 \\sim C197: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
Uanis(C193) \\sim Ueq, Uanis(C325) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C169) \\sim Ueq, Uanis(C321) \\sim Ueq, Uanis(C326) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C212) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C234) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C325) = Uanis(C193)
Uanis(C325) = Uanis(C323) = Uanis(C324) = Uanis(C321) = Uanis(C320)
5. Others
 Fixed Sof: C103(0.5) C152(0.5) C300(0.5) C301(0.5) H301(0.5) C302(0.5)
 H302(0.5) C303(0.5) C304(0.5) C305(0.5) C61(0.5) C307(0.5) C308(0.5) C309(0.5)
 H309(0.5) C310(0.5) H310(0.5) C311(0.5) H311(0.5) C312(0.5) H312(0.5)
 C341(0.5) H341(0.5) C334(0.5) H334(0.5) C333(0.5) H333(0.5) C332(0.5)
 H332(0.5) C331(0.5) H331(0.5) C330(0.5) H330(0.5) C169(0.5) C321(0.5)
 H321(0.5) C320(0.5) C324(0.5) H324(0.5) C323(0.5) H323(0.5) C325(0.5)
 H325(0.5) C326(0.5) H326(0.5) C369(0.5) C180(0.5) H180(0.5) C201(0.5)
 H201(0.5) C208(0.5) H208(0.5) C192(0.5) H192(0.5) C156(0.5) H156(0.5)
 C160(0.5) H160(0.5) C166(0.5) C199(0.5) H199(0.5) C205(0.5) H205(0.5)
 C193(0.5) H193(0.5) C197(0.5) H197(0.5)
6.a :
 C300(C301,C302,C303,C304,C305,C61,C307), C308(C309,C310,C311,C312,C341),
 C334(C333,C332,C331,C330,C169), C321(C320,C324,C323,C325,C326), C369(C180,C201,
 C208,C192,C156), C160(C166,C199,C205,C193,C197)
6.b Secondary CH2 refined with riding coordinates:
 C109(H10J,H10K)
6.c Me refined with riding coordinates:
 C106(H10A,H10B,H10C), C107(H10D,H10E,H10F), C108(H10G,H10H,H10I), C185(H18A,
 H18B,H18C), C186(H18D,H18E,H18F), C209(H20A,H20B,H20C), C210(H21A,H21B,H21C),
 C211(H21D,H21E,H21F)
6.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C5(H5), C11(H11), C13(H13), C15(H15), C20(H20), C21(H21), C22(H22),
 C23(H23), C25(H25), C28(H28), C29(H29), C30(H30), C32(H32), C34(H34), C35(H35),
  C36(H36), C37(H37), C40(H40), C44(H44), C46(H46), C47(H47), C48(H48),
 C49(H49), C50(H50), C52(H52), C62(H62), C64(H64), C65(H65), C66(H66), C69(H69),
  C70(H70), C71(H71), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76),
 C77(H77), C79(H79), C80(H80), C81(H81), C83(H83), C84(H84), C86(H86), C87(H87),
  C88(H88), C89(H89), C91(H91), C94(H94), C95(H95), C97(H97), C98(H98),
 C102(H102), C111(H111), C113(H113), C114(H114), C115(H115), C116(H116),
 C117(H117), C119(H119), C120(H120), C121(H121), C122(H122), C123(H123),
 C124(H124), C125(H125), C126(H126), C127(H127), C128(H128), C129(H129),
 C130(H130), C131(H131), C132(H132), C133(H133), C134(H134), C135(H135),
 C136(H136), C137(H137), C138(H138), C139(H139), C140(H140), C141(H141),
 C142(H142), C143(H143), C144(H144), C145(H145), C146(H146), C147(H147),
 C148(H148), C149(H149), C150(H150), C151(H151), C153(H153), C154(H154),
 C155(H155), C157(H157), C158(H158), C159(H159), C161(H161), C162(H162),
 C163(H163), C164(H164), C165(H165), C167(H167), C168(H168), C170(H170),
 C171(H171), C172(H172), C173(H173), C174(H174), C175(H175), C177(H177),
 C178(H178), C179(H179), C181(H181), C182(H182), C189(H189), C190(H190),
 C195(H195), C200(H200), C202(H202), C203(H203), C206(H206), C212(H212),
 C220(H220), C221(H221), C219(H219), C234(H234), C233(H233), C218(H218),
 C301(H301), C302(H302), C309(H309), C310(H310), C311(H311), C312(H312),
 C341(H341), C334(H334), C333(H333), C332(H332), C331(H331), C330(H330),
 C321(H321), C324(H324), C323(H323), C325(H325), C326(H326), C180(H180),
 C201(H201), C208(H208), C192(H192), C156(H156), C160(H160), C199(H199),
 C205(H205), C193(H193), C197(H197)
6.e Fitted hexagon refined as free rotating group:
 C221(C219,C234,C233,C218,C213)
6.f Idealised Me refined as rotating group:
 C02(H02A,H02B,H02C), C01(H01A,H01B,H01C), C04(H04A,H04B,H04C), C03(H03A,H03B,
 H03C), C06(H06A,H06B,H06C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.28390(2) 0.17863(2) 0.41562(2) 0.02810(10) Uani 1 1 d . . . . .
Dy2 Dy 0.23754(2) -0.15477(2) 0.41479(2) 0.02783(11) Uani 1 1 d . . . . .
Dy3 Dy -0.24138(2) -0.51165(2) 0.57840(2) 0.02992(11) Uani 1 1 d . . . . .
O12 O 0.3104(2) -0.11062(19) 0.4461(2) 0.0343(14) Uani 1 1 d . . . . .
O10 O 0.2694(2) -0.1871(2) 0.4982(2) 0.0361(14) Uani 1 1 d . . . . .
O11 O 0.2074(2) -0.1010(2) 0.4780(2) 0.0368(14) Uani 1 1 d . . . . .
O21 O 0.3541(2) 0.14715(19) 0.3726(2) 0.0339(14) Uani 1 1 d . . . . .
O22 O 0.2516(3) 0.1549(2) 0.3277(2) 0.0407(15) Uani 1 1 d . . . . .
O17 O 0.2085(2) 0.13297(18) 0.4264(2) 0.0315(13) Uani 1 1 d . . . . .
O20 O 0.3565(2) 0.20558(19) 0.4729(2) 0.0322(13) Uani 1 1 d . . . . .
O8 O -0.3150(2) -0.46940(19) 0.5987(2) 0.0318(13) Uani 1 1 d . . . . .
O5 O -0.1668(2) -0.5443(2) 0.6278(2) 0.0385(15) Uani 1 1 d . . . . .
O23 O 0.2169(3) 0.2292(2) 0.3888(2) 0.0401(15) Uani 1 1 d . . . . .
O2 O -0.2719(2) -0.47865(19) 0.4950(2) 0.0335(14) Uani 1 1 d . . . . .
O7 O -0.2125(2) -0.45814(19) 0.6454(2) 0.0325(13) Uani 1 1 d . . . . .
O19 O 0.2519(2) 0.20494(18) 0.4962(2) 0.0301(13) Uani 1 1 d . . . . .
O18 O 0.3103(2) 0.11844(19) 0.4734(2) 0.0337(14) Uani 1 1 d . . . . .
O9 O 0.1641(3) -0.1866(2) 0.4537(2) 0.0416(16) Uani 1 1 d . . . . .
O14 O 0.2846(2) -0.13521(18) 0.3381(2) 0.0318(13) Uani 1 1 d . . . . .
O4 O -0.3151(3) -0.5555(2) 0.5422(2) 0.0533(19) Uani 1 1 d . . . . .
O6 O -0.2724(2) -0.54699(18) 0.6564(2) 0.0310(13) Uani 1 1 d . . . . .
O16 O 0.1805(2) -0.10580(19) 0.3625(2) 0.0356(14) Uani 1 1 d . . . . .
O1 O -0.1698(2) -0.4731(3) 0.5438(2) 0.0507(19) Uani 1 1 d . . . . .
O24 O 0.3215(2) 0.23713(18) 0.3675(2) 0.0321(13) Uani 1 1 d . . . . .
O15 O 0.1942(3) -0.19637(19) 0.3433(2) 0.0410(16) Uani 1 1 d . . . . .
O13 O 0.2945(2) -0.21441(18) 0.3986(2) 0.0349(14) Uani 1 1 d . . . . .
O3 O -0.2095(3) -0.5628(2) 0.5176(3) 0.062(2) Uani 1 1 d . . . . .
C1 C 0.3346(3) -0.1974(3) 0.3168(3) 0.0310(19) Uani 1 1 d . . . . .
H1 H 0.3573 -0.2085 0.2916 0.037 Uiso 1 1 calc R . . . .
C2 C 0.3167(3) -0.1543(3) 0.3096(3) 0.0250(18) Uani 1 1 d . . . . .
C3 C 0.3213(3) -0.2257(3) 0.3589(3) 0.0276(18) Uani 1 1 d . . . . .
C4 C 0.3238(3) -0.0919(3) 0.4916(3) 0.0275(18) Uani 1 1 d . . . . .
C5 C 0.2872(3) -0.0785(3) 0.5285(3) 0.032(2) Uani 1 1 d . . . . .
H5 H 0.3009 -0.0652 0.5611 0.039 Uiso 1 1 calc R . . . .
C6 C 0.2316(3) -0.0834(3) 0.5202(3) 0.0289(19) Uani 1 1 d . . . . .
C7 C 0.1970(4) -0.0681(3) 0.5636(3) 0.034(2) Uani 1 1 d . . . . .
C8 C -0.2359(4) -0.4433(3) 0.6860(3) 0.0304(19) Uani 1 1 d . . . . .
C9 C 0.1942(4) 0.1111(3) 0.4673(3) 0.035(2) Uani 1 1 d . . . . .
C10 C 0.2859(3) 0.1004(3) 0.5117(3) 0.0282(19) Uani 1 1 d . . . . .
C11 C 0.2308(3) 0.0960(3) 0.5105(3) 0.033(2) Uani 1 1 d . . . . .
H11 H 0.2167 0.0823 0.5403 0.040 Uiso 1 1 calc R . . . .
C12 C 0.1555(4) -0.2024(3) 0.5004(4) 0.037(2) Uani 1 1 d . . . . .
C13 C 0.1958(4) -0.2143(3) 0.5412(4) 0.041(2) Uani 1 1 d . . . . .
H13 H 0.1854 -0.2268 0.5734 0.049 Uiso 1 1 calc R . . . .
C14 C 0.2513(4) -0.2086(3) 0.5362(3) 0.0304(19) Uani 1 1 d . . . . .
C15 C 0.1557(4) -0.1440(3) 0.2802(4) 0.043(2) Uani 1 1 d . . . . .
H15 H 0.1389 -0.1408 0.2451 0.052 Uiso 1 1 calc R . . . .
C16 C 0.1637(4) -0.1061(3) 0.3115(4) 0.041(2) Uani 1 1 d . . . . .
C17 C 0.1709(3) -0.1872(3) 0.2975(4) 0.036(2) Uani 1 1 d . . . . .
C18 C 0.1625(4) -0.2243(3) 0.2579(3) 0.033(2) Uani 1 1 d . . . . .
C19 C 0.3827(4) -0.0843(3) 0.5047(3) 0.033(2) Uani 1 1 d . . . . .
C20 C 0.2102(4) -0.0299(3) 0.5939(4) 0.048(3) Uani 1 1 d . . . . .
H20 H 0.2416 -0.0146 0.5883 0.058 Uiso 1 1 calc R . . . .
C21 C 0.1766(5) -0.0144(3) 0.6323(4) 0.052(3) Uani 1 1 d . . . . .
H21 H 0.1842 0.0119 0.6511 0.063 Uiso 1 1 calc R . . . .
C22 C 0.1314(4) -0.0390(4) 0.6424(4) 0.054(3) Uani 1 1 d . . . . .
H22 H 0.1096 -0.0298 0.6694 0.065 Uiso 1 1 calc R . . . .
C23 C 0.1512(4) -0.0915(3) 0.5736(4) 0.040(2) Uani 1 1 d . . . . .
H23 H 0.1424 -0.1171 0.5537 0.049 Uiso 1 1 calc R . . . .
C25 C 0.3616(4) -0.3399(3) 0.3118(4) 0.052(3) Uani 1 1 d . . . . .
H25 H 0.3649 -0.3553 0.2792 0.062 Uiso 1 1 calc R . . . .
C26 C -0.1570(4) -0.5542(3) 0.6786(4) 0.034(2) Uani 1 1 d . . . . .
C27 C -0.2498(3) -0.5577(3) 0.7031(3) 0.0304(19) Uani 1 1 d . . . . .
C28 C 0.3501(5) -0.2956(3) 0.4082(4) 0.056(3) Uani 1 1 d . . . . .
H28 H 0.3453 -0.2811 0.4410 0.067 Uiso 1 1 calc R . . . .
C29 C 0.3914(4) 0.0510(3) 0.6458(4) 0.046(2) Uani 1 1 d . . . . .
H29 H 0.4145 0.0407 0.6748 0.056 Uiso 1 1 calc R . . . .
C30 C 0.3259(3) 0.2048(3) 0.5621(3) 0.033(2) Uani 1 1 d . . . . .
H30 H 0.3367 0.2030 0.5994 0.040 Uiso 1 1 calc R . . . .
C31 C -0.2884(4) -0.4631(3) 0.4010(3) 0.034(2) Uani 1 1 d . . . . .
C32 C -0.1457(4) -0.4369(3) 0.7355(4) 0.046(2) Uani 1 1 d . . . . .
H32 H -0.1324 -0.4527 0.7068 0.055 Uiso 1 1 calc R . . . .
C33 C 0.2705(3) 0.2064(3) 0.5452(3) 0.0276(18) Uani 1 1 d . . . . .
C34 C -0.2701(4) -0.5948(3) 0.7913(4) 0.045(2) Uani 1 1 d . . . . .
H34 H -0.2348 -0.6050 0.7953 0.054 Uiso 1 1 calc R . . . .
C35 C 0.3292(4) 0.1568(3) 0.2784(3) 0.038(2) Uani 1 1 d . . . . .
H35 H 0.3416 0.1596 0.2437 0.045 Uiso 1 1 calc R . . . .
C36 C 0.4594(4) 0.2286(3) 0.5101(4) 0.045(2) Uani 1 1 d . . . . .
H36 H 0.4471 0.2383 0.4752 0.054 Uiso 1 1 calc R . . . .
C37 C 0.3861(4) -0.1339(3) 0.2438(4) 0.044(2) Uani 1 1 d . . . . .
H37 H 0.4102 -0.1537 0.2616 0.052 Uiso 1 1 calc R . . . .
C38 C -0.2862(3) -0.5688(3) 0.7471(3) 0.032(2) Uani 1 1 d . . . . .
C40 C -0.2918(3) -0.4425(3) 0.6877(4) 0.035(2) Uani 1 1 d . . . . .
H40 H -0.3054 -0.4318 0.7195 0.042 Uiso 1 1 calc R . . . .
C41 C 0.3668(4) 0.1536(3) 0.3236(3) 0.036(2) Uani 1 1 d . . . . .
C42 C -0.2507(3) -0.4682(3) 0.4516(3) 0.0314(19) Uani 1 1 d . . . . .
C43 C 0.2086(4) 0.2576(3) 0.3510(3) 0.032(2) Uani 1 1 d . . . . .
C44 C -0.3379(4) -0.5524(3) 0.7432(4) 0.042(2) Uani 1 1 d . . . . .
H44 H -0.3493 -0.5344 0.7137 0.050 Uiso 1 1 calc R . . . .
C45 C 0.3350(4) -0.1286(3) 0.2617(3) 0.031(2) Uani 1 1 d . . . . .
C46 C 0.3370(4) 0.0488(3) 0.6482(4) 0.043(2) Uani 1 1 d . . . . .
H46 H 0.3231 0.0364 0.6789 0.052 Uiso 1 1 calc R . . . .
C47 C 0.3153(5) -0.0743(3) 0.1905(4) 0.052(3) Uani 1 1 d . . . . .
H47 H 0.2915 -0.0545 0.1723 0.063 Uiso 1 1 calc R . . . .
C48 C -0.1828(4) -0.3896(3) 0.8199(4) 0.046(2) Uani 1 1 d . . . . .
H48 H -0.1959 -0.3736 0.8485 0.055 Uiso 1 1 calc R . . . .
C49 C 0.3459(4) -0.2958(3) 0.3105(4) 0.038(2) Uani 1 1 d . . . . .
H49 H 0.3391 -0.2815 0.2770 0.046 Uiso 1 1 calc R . . . .
C50 C 0.3022(4) 0.0645(3) 0.6059(3) 0.038(2) Uani 1 1 d . . . . .
H50 H 0.2653 0.0630 0.6085 0.046 Uiso 1 1 calc R . . . .
C51 C 0.1359(4) 0.1002(3) 0.4671(4) 0.041(2) Uani 1 1 d . . . . .
C52 C -0.2175(4) -0.4030(3) 0.7770(4) 0.039(2) Uani 1 1 d . . . . .
H52 H -0.2538 -0.3960 0.7769 0.047 Uiso 1 1 calc R . . . .
C53 C 0.3402(3) -0.2728(3) 0.3586(3) 0.0310(19) Uani 1 1 d . . . . .
C54 C -0.1995(3) -0.4269(3) 0.7336(3) 0.0306(19) Uani 1 1 d . . . . .
C55 C 0.3223(3) 0.0826(3) 0.5594(3) 0.0296(19) Uani 1 1 d . . . . .
C60 C 0.2917(4) -0.2301(3) 0.5772(3) 0.036(2) Uani 1 1 d . . . . .
C62 C 0.0599(5) -0.1835(5) 0.4866(6) 0.081(4) Uani 1 1 d . . . . .
H62 H 0.0691 -0.1614 0.4626 0.098 Uiso 1 1 calc R . . . .
C63 C -0.3246(5) -0.5756(3) 0.4967(4) 0.059(3) Uani 1 1 d . . . . .
C64 C 0.1366(4) -0.0265(4) 0.3160(5) 0.055(3) Uani 1 1 d . . . . .
H64 H 0.1287 -0.0311 0.3521 0.066 Uiso 1 1 calc R . . . .
C65 C 0.4576(4) -0.0416(4) 0.5447(4) 0.060(3) Uani 1 1 d . . . . .
H65 H 0.4707 -0.0174 0.5652 0.072 Uiso 1 1 calc R . . . .
C66 C 0.3661(5) -0.0804(4) 0.1738(4) 0.058(3) Uani 1 1 d . . . . .
H66 H 0.3767 -0.0641 0.1443 0.070 Uiso 1 1 calc R . . . .
C67 C -0.0990(4) -0.5618(3) 0.6978(4) 0.047(3) Uani 1 1 d . . . . .
C68 C 0.1515(4) 0.2687(3) 0.3352(4) 0.042(2) Uani 1 1 d . . . . .
C69 C 0.1500(5) 0.2223(4) 0.6579(4) 0.055(3) Uani 1 1 d . . . . .
H69 H 0.1232 0.2264 0.6817 0.066 Uiso 1 1 calc R . . . .
C70 C 0.4440(4) 0.1930(4) 0.5951(4) 0.055(3) Uani 1 1 d . . . . .
H70 H 0.4212 0.1796 0.6183 0.066 Uiso 1 1 calc R . . . .
C71 C 0.4921(4) -0.0707(4) 0.5230(4) 0.059(3) Uani 1 1 d . . . . .
H71 H 0.5289 -0.0664 0.5295 0.071 Uiso 1 1 calc R . . . .
C72 C 0.2496(6) 0.1584(5) 0.1786(4) 0.085(5) Uani 1 1 d . . . . .
H72 H 0.2858 0.1606 0.1728 0.102 Uiso 1 1 calc R . . . .
C73 C -0.1295(4) -0.3991(3) 0.8219(4) 0.050(3) Uani 1 1 d . . . . .
H73 H -0.1061 -0.3894 0.8509 0.060 Uiso 1 1 calc R . . . .
C74 C 0.4115(4) 0.0689(4) 0.5993(4) 0.052(3) Uani 1 1 d . . . . .
H74 H 0.4484 0.0704 0.5968 0.063 Uiso 1 1 calc R . . . .
C75 C -0.3794(5) -0.4629(4) 0.3589(5) 0.062(3) Uani 1 1 d . . . . .
H75 H -0.4159 -0.4666 0.3622 0.075 Uiso 1 1 calc R . . . .
C76 C 0.4735(4) -0.1063(4) 0.4916(4) 0.054(3) Uani 1 1 d . . . . .
H76 H 0.4974 -0.1258 0.4769 0.065 Uiso 1 1 calc R . . . .
C77 C 0.1366(4) 0.2072(3) 0.6059(4) 0.046(2) Uani 1 1 d . . . . .
H77 H 0.1011 0.2002 0.5945 0.055 Uiso 1 1 calc R . . . .
C78 C 0.1529(4) -0.0620(3) 0.2845(4) 0.041(2) Uani 1 1 d . . . . .
C79 C 0.4010(5) -0.1095(4) 0.1993(4) 0.053(3) Uani 1 1 d . . . . .
H79 H 0.4349 -0.1132 0.1870 0.064 Uiso 1 1 calc R . . . .
C80 C -0.4104(4) -0.4314(4) 0.6903(4) 0.047(3) Uani 1 1 d . . . . .
H80 H -0.3915 -0.4076 0.7064 0.056 Uiso 1 1 calc R . . . .
C81 C 0.2030(5) 0.2318(4) 0.6758(4) 0.052(3) Uani 1 1 d . . . . .
H81 H 0.2118 0.2416 0.7115 0.062 Uiso 1 1 calc R . . . .
C82 C 0.0988(4) -0.2097(4) 0.5111(4) 0.052(3) Uani 1 1 d . . . . .
C83 C -0.1946(3) -0.5590(3) 0.7162(3) 0.034(2) Uani 1 1 d . . . . .
H83 H -0.1824 -0.5634 0.7527 0.041 Uiso 1 1 calc R . . . .
C84 C 0.2500(4) 0.2765(3) 0.3229(3) 0.034(2) Uani 1 1 d . . . . .
H84 H 0.2407 0.2981 0.2966 0.041 Uiso 1 1 calc R . . . .
C85 C 0.4252(4) 0.1565(3) 0.3170(4) 0.042(2) Uani 1 1 d . . . . .
C86 C 0.3764(4) 0.0846(3) 0.5563(4) 0.042(2) Uani 1 1 d . . . . .
H86 H 0.3901 0.0966 0.5253 0.050 Uiso 1 1 calc R . . . .
C87 C -0.4154(4) -0.4942(3) 0.6311(4) 0.044(2) Uani 1 1 d . . . . .
H87 H -0.3996 -0.5132 0.6072 0.053 Uiso 1 1 calc R . . . .
C88 C -0.3427(4) -0.4693(3) 0.4055(4) 0.044(2) Uani 1 1 d . . . . .
H88 H -0.3551 -0.4777 0.4389 0.053 Uiso 1 1 calc R . . . .
C89 C -0.2722(4) -0.4510(3) 0.3497(4) 0.046(2) Uani 1 1 d . . . . .
H89 H -0.2359 -0.4466 0.3455 0.055 Uiso 1 1 calc R . . . .
C90 C 0.2345(4) 0.1549(3) 0.2322(4) 0.045(2) Uani 1 1 d . . . . .
C91 C -0.1109(4) -0.4237(4) 0.7794(4) 0.060(3) Uani 1 1 d . . . . .
H91 H -0.0748 -0.4313 0.7804 0.072 Uiso 1 1 calc R . . . .
C92 C 0.3030(4) 0.2652(3) 0.3319(3) 0.033(2) Uani 1 1 d . . . . .
C93 C 0.3451(4) 0.2864(3) 0.2988(3) 0.035(2) Uani 1 1 d . . . . .
C94 C 0.4589(4) 0.1604(3) 0.3640(4) 0.051(3) Uani 1 1 d . . . . .
H94 H 0.4449 0.1601 0.3981 0.062 Uiso 1 1 calc R . . . .
C95 C 0.4186(4) -0.1126(3) 0.4824(4) 0.043(2) Uani 1 1 d . . . . .
H95 H 0.4057 -0.1363 0.4608 0.052 Uiso 1 1 calc R . . . .
C96 C -0.3279(4) -0.4563(3) 0.6458(3) 0.032(2) Uani 1 1 d . . . . .
C97 C 0.2422(4) 0.2266(3) 0.6402(3) 0.040(2) Uani 1 1 d . . . . .
H97 H 0.2776 0.2335 0.6518 0.048 Uiso 1 1 calc R . . . .
C98 C 0.3327(4) 0.3147(3) 0.2546(4) 0.039(2) Uani 1 1 d . . . . .
H98 H 0.2970 0.3214 0.2443 0.047 Uiso 1 1 calc R . . . .
C99 C 0.2738(4) 0.1560(3) 0.2828(3) 0.037(2) Uani 1 1 d . . . . .
C100 C -0.3859(4) -0.4595(3) 0.6555(3) 0.037(2) Uani 1 1 d . . . . .
C101 C 0.2301(3) 0.2112(3) 0.5871(3) 0.0281(19) Uani 1 1 d . . . . .
C102 C 0.1764(4) 0.2024(3) 0.5705(4) 0.037(2) Uani 1 1 d . . . . .
H102 H 0.1673 0.1930 0.5347 0.045 Uiso 1 1 calc R . . . .
C104 C 0.3660(3) 0.2058(3) 0.5233(3) 0.0303(19) Uani 1 1 d . . . . .
C105 C 0.4242(4) 0.2093(3) 0.5444(4) 0.037(2) Uani 1 1 d . . . . .
C106 C 0.7197(4) 0.0225(3) 0.6694(4) 0.051(3) Uani 1 1 d . . . . .
H10A H 0.7149 0.0522 0.6557 0.077 Uiso 1 1 calc R . . . .
H10B H 0.6934 0.0165 0.6950 0.077 Uiso 1 1 calc R . . . .
H10C H 0.7550 0.0195 0.6876 0.077 Uiso 1 1 calc R . . . .
C107 C 0.7574(5) -0.0010(4) 0.5851(4) 0.058(3) Uani 1 1 d . . . . .
H10D H 0.7537 0.0283 0.5701 0.087 Uiso 1 1 calc R . . . .
H10E H 0.7916 -0.0037 0.6058 0.087 Uiso 1 1 calc R . . . .
H10F H 0.7552 -0.0223 0.5557 0.087 Uiso 1 1 calc R . . . .
C108 C 0.7203(5) -0.0553(3) 0.6445(4) 0.052(3) Uani 1 1 d . . . . .
H10G H 0.7161 -0.0763 0.6149 0.078 Uiso 1 1 calc R . . . .
H10H H 0.7557 -0.0581 0.6628 0.078 Uiso 1 1 calc R . . . .
H10I H 0.6941 -0.0611 0.6702 0.078 Uiso 1 1 calc R . . . .
C109 C 0.6590(4) -0.0044(4) 0.5900(4) 0.051(3) Uani 1 1 d . . . . .
H10J H 0.6592 0.0231 0.5696 0.062 Uiso 1 1 calc R . . . .
H10K H 0.6547 -0.0284 0.5636 0.062 Uiso 1 1 calc R . . . .
C110 C 0.6116(4) -0.0043(3) 0.6236(4) 0.047(3) Uani 1 1 d . . . . .
C111 C 0.5866(4) -0.0434(3) 0.6372(4) 0.050(3) Uani 1 1 d . . . . .
H111 H 0.5990 -0.0704 0.6249 0.061 Uiso 1 1 calc R . . . .
C113 C 0.5916(5) 0.0354(4) 0.6428(5) 0.063(3) Uani 1 1 d . . . . .
H113 H 0.6079 0.0620 0.6343 0.075 Uiso 1 1 calc R . . . .
C114 C -0.3626(5) -0.4518(3) 0.3103(4) 0.058(3) Uani 1 1 d . . . . .
H114 H -0.3872 -0.4484 0.2800 0.070 Uiso 1 1 calc R . . . .
C115 C -0.3089(5) -0.4454(3) 0.3053(4) 0.057(3) Uani 1 1 d . . . . .
H115 H -0.2973 -0.4372 0.2715 0.069 Uiso 1 1 calc R . . . .
C116 C 0.3986(4) 0.2768(4) 0.3128(4) 0.048(3) Uani 1 1 d . . . . .
H116 H 0.4081 0.2578 0.3420 0.058 Uiso 1 1 calc R . . . .
C117 C 0.3720(5) 0.3327(4) 0.2261(4) 0.054(3) Uani 1 1 d . . . . .
H117 H 0.3630 0.3517 0.1968 0.065 Uiso 1 1 calc R . . . .
C119 C 0.4982(5) 0.1972(4) 0.6108(5) 0.065(3) Uani 1 1 d . . . . .
H119 H 0.5114 0.1862 0.6448 0.078 Uiso 1 1 calc R . . . .
C120 C 0.5324(4) 0.2165(4) 0.5784(5) 0.061(3) Uani 1 1 d . . . . .
H120 H 0.5688 0.2185 0.5898 0.074 Uiso 1 1 calc R . . . .
C121 C 0.5132(4) 0.2330(4) 0.5288(5) 0.063(3) Uani 1 1 d . . . . .
H121 H 0.5365 0.2476 0.5070 0.076 Uiso 1 1 calc R . . . .
C122 C 0.5145(5) 0.1646(4) 0.3608(5) 0.068(3) Uani 1 1 d . . . . .
H122 H 0.5371 0.1673 0.3928 0.081 Uiso 1 1 calc R . . . .
C123 C 0.4471(4) 0.1562(4) 0.2664(4) 0.060(3) Uani 1 1 d . . . . .
H123 H 0.4249 0.1534 0.2341 0.072 Uiso 1 1 calc R . . . .
C124 C 0.1185(4) -0.0770(4) 0.6128(4) 0.051(3) Uani 1 1 d . . . . .
H124 H 0.0877 -0.0928 0.6192 0.062 Uiso 1 1 calc R . . . .
C125 C 0.4026(4) -0.0485(3) 0.5356(4) 0.041(2) Uani 1 1 d . . . . .
H125 H 0.3789 -0.0290 0.5505 0.049 Uiso 1 1 calc R . . . .
C126 C 0.2015(5) -0.2555(3) 0.2535(5) 0.057(3) Uani 1 1 d . . . . .
H126 H 0.2339 -0.2526 0.2749 0.069 Uiso 1 1 calc R . . . .
C127 C 0.1149(4) -0.2294(4) 0.2247(4) 0.056(3) Uani 1 1 d . . . . .
H127 H 0.0875 -0.2086 0.2257 0.068 Uiso 1 1 calc R . . . .
C128 C -0.4631(4) -0.4386(5) 0.7011(4) 0.067(4) Uani 1 1 d . . . . .
H128 H -0.4796 -0.4198 0.7248 0.080 Uiso 1 1 calc R . . . .
C129 C -0.4684(4) -0.5005(4) 0.6421(5) 0.066(3) Uani 1 1 d . . . . .
H129 H -0.4881 -0.5237 0.6255 0.079 Uiso 1 1 calc R . . . .
C130 C 0.1036(4) 0.1044(4) 0.4194(5) 0.054(3) Uani 1 1 d . . . . .
H130 H 0.1185 0.1143 0.3879 0.065 Uiso 1 1 calc R . . . .
C131 C 0.1116(4) 0.0865(4) 0.5137(5) 0.066(3) Uani 1 1 d . . . . .
H131 H 0.1312 0.0862 0.5476 0.079 Uiso 1 1 calc R . . . .
C132 C 0.0579(5) 0.0733(5) 0.5095(6) 0.086(5) Uani 1 1 d . . . . .
H132 H 0.0436 0.0594 0.5390 0.104 Uiso 1 1 calc DR . . . .
C133 C 0.3006(4) -0.0985(3) 0.2354(4) 0.040(2) Uani 1 1 d . . . . .
H133 H 0.2668 -0.0941 0.2478 0.048 Uiso 1 1 calc R . . . .
C134 C 0.2123(7) 0.1585(5) 0.1346(5) 0.093(5) Uani 1 1 d . . . . .
H134 H 0.2234 0.1617 0.0994 0.112 Uiso 1 1 calc R . . . .
C135 C 0.1586(7) 0.1541(4) 0.1417(6) 0.083(5) Uani 1 1 d . . . . .
H135 H 0.1332 0.1541 0.1117 0.099 Uiso 1 1 calc R . . . .
C136 C -0.3047(5) -0.6062(4) 0.8302(4) 0.054(3) Uani 1 1 d . . . . .
H136 H -0.2938 -0.6255 0.8585 0.064 Uiso 1 1 calc R . . . .
C137 C -0.3562(5) -0.5884(4) 0.8264(4) 0.064(4) Uani 1 1 d . . . . .
H137 H -0.3788 -0.5944 0.8539 0.077 Uiso 1 1 calc R . . . .
C138 C -0.3739(4) -0.5624(3) 0.7832(5) 0.052(3) Uani 1 1 d . . . . .
H138 H -0.4088 -0.5515 0.7800 0.062 Uiso 1 1 calc R . . . .
C139 C 0.2774(5) -0.2547(4) 0.6213(4) 0.067(3) Uani 1 1 d . . . . .
H139 H 0.2413 -0.2576 0.6275 0.081 Uiso 1 1 calc R . . . .
C140 C 0.1605(4) -0.0550(3) 0.2294(4) 0.045(2) Uani 1 1 d . . . . .
H140 H 0.1692 -0.0786 0.2073 0.054 Uiso 1 1 calc R . . . .
C141 C 0.3720(5) -0.3605(4) 0.3603(5) 0.070(4) Uani 1 1 d . . . . .
H141 H 0.3832 -0.3899 0.3609 0.084 Uiso 1 1 calc R . . . .
C142 C 0.1944(5) -0.2915(4) 0.2182(5) 0.063(3) Uani 1 1 d . . . . .
H142 H 0.2221 -0.3118 0.2157 0.076 Uiso 1 1 calc R . . . .
C143 C 0.5484(5) 0.0361(4) 0.6737(6) 0.069(3) Uani 1 1 d . . . . .
H143 H 0.5347 0.0629 0.6852 0.083 Uiso 1 1 calc R . . . .
C144 C 0.5261(4) -0.0026(4) 0.6873(5) 0.060(3) Uani 1 1 d . . . . .
H144 H 0.4979 -0.0022 0.7099 0.072 Uiso 1 1 calc R . . . .
C145 C 0.5434(4) -0.0423(4) 0.6690(5) 0.057(3) Uani 1 1 d . . . . .
H145 H 0.5263 -0.0685 0.6778 0.068 Uiso 1 1 calc R . . . .
C146 C 0.4248(5) 0.3230(4) 0.2403(5) 0.062(3) Uani 1 1 d . . . . .
H146 H 0.4514 0.3352 0.2205 0.074 Uiso 1 1 calc R . . . .
C147 C 0.4382(4) 0.2957(4) 0.2832(5) 0.064(3) Uani 1 1 d . . . . .
H147 H 0.4741 0.2895 0.2930 0.076 Uiso 1 1 calc R . . . .
C148 C -0.4911(5) -0.4733(5) 0.6767(5) 0.074(4) Uani 1 1 d . . . . .
H148 H -0.5265 -0.4781 0.6844 0.089 Uiso 1 1 calc R . . . .
C149 C -0.0581(5) -0.5393(4) 0.6721(6) 0.076(4) Uani 1 1 d . . . . .
H149 H -0.0666 -0.5198 0.6432 0.091 Uiso 1 1 calc R . . . .
C150 C -0.0835(4) -0.5919(4) 0.7397(4) 0.059(3) Uani 1 1 d . . . . .
H150 H -0.1096 -0.6075 0.7568 0.071 Uiso 1 1 calc R . . . .
C151 C -0.0307(5) -0.5987(5) 0.7556(6) 0.080(4) Uani 1 1 d . . . . .
H151 H -0.0212 -0.6180 0.7845 0.096 Uiso 1 1 calc R . . . .
C153 C 0.5360(5) 0.1649(4) 0.3108(6) 0.076(4) Uani 1 1 d . . . . .
H153 H 0.5727 0.1683 0.3085 0.091 Uiso 1 1 calc R . . . .
C154 C 0.3690(6) -0.2723(4) 0.6461(6) 0.077(4) Uani 1 1 d . . . . .
H154 H 0.3953 -0.2865 0.6688 0.093 Uiso 1 1 calc R . . . .
C155 C 0.5021(5) 0.1601(5) 0.2644(5) 0.078(4) Uani 1 1 d . . . . .
H155 H 0.5164 0.1595 0.2304 0.094 Uiso 1 1 calc R . . . .
C157 C 0.0052(6) -0.1891(6) 0.4970(8) 0.102(6) Uani 1 1 d . . . . .
H157 H -0.0210 -0.1700 0.4817 0.123 Uiso 1 1 calc R . . . .
C158 C 0.0079(6) -0.5780(5) 0.7301(7) 0.103(6) Uani 1 1 d . . . . .
H158 H 0.0437 -0.5850 0.7395 0.123 Uiso 1 1 calc R . . . .
C159 C 0.0815(5) 0.3166(5) 0.2972(6) 0.090(5) Uani 1 1 d . . . . .
H159 H 0.0711 0.3434 0.2806 0.108 Uiso 1 1 calc R . . . .
C161 C 0.3833(6) -0.2485(5) 0.6020(7) 0.101(5) Uani 1 1 d . . . . .
H161 H 0.4193 -0.2468 0.5949 0.122 Uiso 1 1 calc R . . . .
C162 C -0.2850(7) -0.5891(4) 0.4626(4) 0.070(4) Uani 1 1 d . . . . .
H162 H -0.2961 -0.6032 0.4297 0.085 Uiso 1 1 calc R . . . .
C163 C 0.0270(5) 0.0804(5) 0.4631(6) 0.080(4) Uani 1 1 d . . . . .
H163 H -0.0098 0.0758 0.4626 0.097 Uiso 1 1 calc R . . . .
C164 C 0.1436(6) 0.1496(5) 0.1933(6) 0.099(6) Uani 1 1 d . . . . .
H164 H 0.1075 0.1460 0.1988 0.119 Uiso 1 1 calc R . . . .
C165 C 0.3666(6) -0.3388(4) 0.4093(5) 0.088(5) Uani 1 1 d . . . . .
H165 H 0.3741 -0.3533 0.4426 0.105 Uiso 1 1 calc R . . . .
C167 C 0.1359(4) 0.3086(4) 0.3099(5) 0.065(3) Uani 1 1 d . . . . .
H167 H 0.1614 0.3295 0.3017 0.078 Uiso 1 1 calc R . . . .
C168 C 0.3168(7) -0.2754(4) 0.6571(5) 0.080(4) Uani 1 1 d . . . . .
H168 H 0.3073 -0.2909 0.6878 0.096 Uiso 1 1 calc R . . . .
C170 C 0.1822(6) 0.1503(4) 0.2387(5) 0.077(4) Uani 1 1 d . . . . .
H170 H 0.1710 0.1474 0.2740 0.092 Uiso 1 1 calc R . . . .
C171 C 0.1552(4) -0.0125(4) 0.2073(5) 0.055(3) Uani 1 1 d . . . . .
H171 H 0.1604 -0.0079 0.1705 0.067 Uiso 1 1 calc R . . . .
C172 C 0.0842(5) -0.2449(5) 0.5453(5) 0.081(4) Uani 1 1 d . . . . .
H172 H 0.1106 -0.2631 0.5622 0.097 Uiso 1 1 calc R . . . .
C173 C 0.1323(5) 0.0158(4) 0.2929(5) 0.066(3) Uani 1 1 d . . . . .
H173 H 0.1226 0.0398 0.3139 0.080 Uiso 1 1 calc R . . . .
C174 C 0.3450(5) -0.2268(4) 0.5679(5) 0.074(4) Uani 1 1 d . . . . .
H174 H 0.3553 -0.2100 0.5386 0.089 Uiso 1 1 calc R . . . .
C175 C 0.1478(6) -0.2970(4) 0.1877(4) 0.061(3) Uani 1 1 d . . . . .
H175 H 0.1424 -0.3218 0.1653 0.073 Uiso 1 1 calc R . . . .
C176 C -0.2308(7) -0.5829(4) 0.4749(4) 0.076(5) Uani 1 1 d . . . . .
C177 C 0.1087(6) -0.2662(5) 0.1899(5) 0.074(4) Uani 1 1 d . . . . .
H177 H 0.0769 -0.2696 0.1677 0.089 Uiso 1 1 calc R . . . .
C178 C 0.1425(5) 0.0219(4) 0.2387(5) 0.059(3) Uani 1 1 d . . . . .
H178 H 0.1405 0.0503 0.2236 0.071 Uiso 1 1 calc R . . . .
C179 C 0.1131(4) 0.2387(4) 0.3459(5) 0.062(3) Uani 1 1 d . . . . .
H179 H 0.1232 0.2118 0.3623 0.074 Uiso 1 1 calc R . . . .
C181 C 0.0485(5) 0.0945(5) 0.4165(5) 0.075(4) Uani 1 1 d . . . . .
H181 H 0.0273 0.0973 0.3836 0.090 Uiso 1 1 calc R . . . .
C182 C 0.4221(6) 0.3773(6) 0.5447(5) 0.094(5) Uani 1 1 d . . . . .
H182 H 0.4233 0.4008 0.5202 0.112 Uiso 1 1 calc R . . . .
C183 C 0.3673(7) 0.3237(4) 0.5895(5) 0.090(5) Uani 1 1 d . . . . .
C184 C 0.3228(5) 0.3757(3) 0.5193(4) 0.052(3) Uani 1 1 d . . . . .
C185 C 0.3533(6) 0.3563(5) 0.4291(5) 0.091(5) Uani 1 1 d . . . . .
H18A H 0.3857 0.3432 0.4457 0.137 Uiso 1 1 calc R . . . .
H18B H 0.3435 0.3420 0.3947 0.137 Uiso 1 1 calc R . . . .
H18C H 0.3590 0.3873 0.4231 0.137 Uiso 1 1 calc R . . . .
C186 C 0.2605(4) 0.3712(3) 0.4387(5) 0.061(3) Uani 1 1 d . . . . .
H18D H 0.2314 0.3680 0.4617 0.092 Uiso 1 1 calc R . . . .
H18E H 0.2671 0.4021 0.4327 0.092 Uiso 1 1 calc R . . . .
H18F H 0.2515 0.3568 0.4042 0.092 Uiso 1 1 calc R . . . .
C187 C 0.2973(9) 0.3025(4) 0.4770(5) 0.119(7) Uani 1 1 d . . . . .
C188 C 0.3733(6) 0.3580(4) 0.5518(4) 0.065(3) Uani 1 1 d . . . . .
C189 C 0.4703(7) 0.3630(7) 0.5729(6) 0.134(8) Uani 1 1 d . . . . .
H189 H 0.5035 0.3754 0.5673 0.160 Uiso 1 1 calc R . . . .
C190 C 0.4149(10) 0.3099(6) 0.6195(6) 0.144(9) Uani 1 1 d . . . . .
H190 H 0.4132 0.2879 0.6460 0.173 Uiso 1 1 calc R . . . .
C195 C -0.0083(6) -0.2240(8) 0.5307(7) 0.123(7) Uani 1 1 d . . . . .
H195 H -0.0439 -0.2284 0.5379 0.148 Uiso 1 1 calc R . . . .
C200 C 0.0430(5) 0.2870(6) 0.3079(7) 0.114(6) Uani 1 1 d . . . . .
H200 H 0.0069 0.2929 0.2989 0.137 Uiso 1 1 calc R . . . .
C202 C -0.0044(5) -0.5473(5) 0.6913(7) 0.101(5) Uani 1 1 d . . . . .
H202 H 0.0229 -0.5311 0.6770 0.121 Uiso 1 1 calc R . . . .
C203 C 0.0313(6) -0.2520(7) 0.5536(6) 0.121(7) Uani 1 1 d . . . . .
H203 H 0.0219 -0.2760 0.5747 0.145 Uiso 1 1 calc R . . . .
C206 C 0.0593(5) 0.2477(5) 0.3327(5) 0.079(4) Uani 1 1 d . . . . .
H206 H 0.0336 0.2268 0.3408 0.095 Uiso 1 1 calc R . . . .
C209 C 0.1292(7) -0.3566(5) 0.4246(11) 0.180(12) Uani 1 1 d . . . . .
H20A H 0.1068 -0.3432 0.4501 0.270 Uiso 1 1 calc R . . . .
H20B H 0.1077 -0.3650 0.3919 0.270 Uiso 1 1 calc R . . . .
H20C H 0.1461 -0.3825 0.4411 0.270 Uiso 1 1 calc R . . . .
C210 C 0.2018(15) -0.3465(6) 0.3735(11) 0.32(3) Uani 1 1 d . . . . .
H21A H 0.1789 -0.3567 0.3427 0.476 Uiso 1 1 calc R . . . .
H21B H 0.2280 -0.3263 0.3611 0.476 Uiso 1 1 calc R . . . .
H21C H 0.2197 -0.3713 0.3914 0.476 Uiso 1 1 calc R . . . .
C211 C 0.2042(6) -0.3096(5) 0.4557(6) 0.093(5) Uani 1 1 d . . . . .
H21D H 0.1829 -0.2947 0.4810 0.140 Uiso 1 1 calc R . . . .
H21E H 0.2221 -0.3345 0.4737 0.140 Uiso 1 1 calc R . . . .
H21F H 0.2305 -0.2895 0.4434 0.140 Uiso 1 1 calc R . . . .
C212 C 0.1344(5) -0.2851(5) 0.3952(8) 0.153(8) Uani 1 1 d D U . . .
H212 H 0.1478 -0.2566 0.4010 0.183 Uiso 1 1 calc R . . . .
C220 C 0.4639(8) 0.3284(7) 0.6104(6) 0.160(11) Uani 1 1 d . . . . .
H220 H 0.4945 0.3173 0.6301 0.192 Uiso 1 1 calc R . . . .
C221 C 0.0318(5) -0.2879(4) 0.4014(4) 0.148(8) Uani 1 1 d . U . . .
H221 H 0.0366 -0.2850 0.4394 0.177 Uiso 1 1 calc R . . . .
C219 C -0.0197(4) -0.2891(4) 0.3753(6) 0.102(5) Uani 1 1 d G . . . .
H219 H -0.0494 -0.2871 0.3959 0.122 Uiso 1 1 calc R . . . .
C234 C -0.0269(4) -0.2934(5) 0.3186(6) 0.171(9) Uani 1 1 d G U . . .
H234 H -0.0614 -0.2942 0.3011 0.205 Uiso 1 1 calc R . . . .
C233 C 0.0174(5) -0.2965(5) 0.2879(4) 0.143(7) Uani 1 1 d G U . . .
H233 H 0.0126 -0.2993 0.2499 0.172 Uiso 1 1 calc R . . . .
C218 C 0.0690(4) -0.2952(4) 0.3140(4) 0.106(5) Uani 1 1 d G U . . .
H218 H 0.0986 -0.2973 0.2935 0.128 Uiso 1 1 calc R . . . .
C213 C 0.0762(4) -0.2909(5) 0.3708(4) 0.135(7) Uani 1 1 d DG U . . .
N1 N 0.7129(3) -0.0097(2) 0.6225(3) 0.0413(19) Uani 1 1 d . . . . .
N2 N 0.3097(4) 0.3505(3) 0.4661(3) 0.056(2) Uani 1 1 d . . . . .
N3 N 0.1709(4) -0.3246(3) 0.4105(4) 0.059(2) Uani 1 1 d D U . . .
C103 C -0.1971(11) -0.4576(12) 0.4496(9) 0.06(2) Uani 0.5 1 d . . P A 1
C152 C -0.1613(9) -0.4713(7) 0.4901(9) 0.031(5) Uani 0.5 1 d . . P A 1
C300 C -0.1008(4) -0.4673(3) 0.4805(4) 0.038(4) Uani 0.5 1 d . . P A 1
C301 C -0.0830(4) -0.4364(4) 0.4444(5) 0.052(8) Uani 0.5 1 d G . P A 1
H301 H -0.1072 -0.4168 0.4264 0.063 Uiso 0.5 1 calc R . P A 1
C302 C -0.0293(5) -0.4347(5) 0.4349(6) 0.072(8) Uani 0.5 1 d G . P A 1
H302 H -0.0173 -0.4139 0.4107 0.086 Uiso 0.5 1 calc R . P A 1
C303 C 0.0066(4) -0.4639(6) 0.4615(6) 0.063(6) Uani 0.5 1 d G . P A 1
C304 C -0.0112(4) -0.4948(5) 0.4976(6) 0.052(7) Uani 0.5 1 d G . P A 1
C305 C -0.0649(4) -0.4965(4) 0.5071(5) 0.041(5) Uani 0.5 1 d G . P A 1
C61 C -0.1967(7) -0.4597(7) 0.4498(8) 0.08(3) Uani 0.5 1 d G . P A 2
C307 C -0.1595(6) -0.4502(5) 0.5022(6) 0.026(5) Uani 0.5 1 d G . P A 2
C308 C -0.1081(5) -0.4257(4) 0.5027(5) 0.037(4) Uani 0.5 1 d . . P A 2
C309 C -0.0842(5) -0.4099(4) 0.5530(5) 0.047(5) Uani 0.5 1 d G . P A 2
H309 H -0.1001 -0.4157 0.5853 0.057 Uiso 0.5 1 calc R . P A 2
C310 C -0.0365(5) -0.3854(4) 0.5543(5) 0.050(5) Uani 0.5 1 d G . P A 2
H310 H -0.0206 -0.3750 0.5876 0.060 Uiso 0.5 1 calc R . P A 2
C311 C -0.0126(5) -0.3766(4) 0.5054(6) 0.060(6) Uani 0.5 1 d G . P A 2
H311 H 0.0191 -0.3603 0.5062 0.072 Uiso 0.5 1 calc R . P A 2
C312 C -0.0364(5) -0.3924(5) 0.4552(5) 0.045(5) Uani 0.5 1 d G . P A 2
H312 H -0.0206 -0.3866 0.4228 0.054 Uiso 0.5 1 calc R . P A 2
C341 C -0.0842(5) -0.4169(5) 0.4538(5) 0.043(6) Uani 0.5 1 d G . P A 2
H341 H -0.1001 -0.4274 0.4206 0.051 Uiso 0.5 1 calc R . P A 2
C334 C -0.1279(6) -0.5737(6) 0.4414(6) 0.045(7) Uani 0.5 1 d . . P B 1
H334 H -0.1223 -0.5488 0.4636 0.054 Uiso 0.5 1 calc R . P B 1
C333 C -0.0873(7) -0.5890(8) 0.4114(8) 0.089(12) Uani 0.5 1 d G . P B 1
H333 H -0.0544 -0.5745 0.4133 0.107 Uiso 0.5 1 calc R . P B 1
C332 C -0.0955(8) -0.6260(8) 0.3785(9) 0.090(13) Uani 0.5 1 d G . P B 1
H332 H -0.0681 -0.6364 0.3583 0.108 Uiso 0.5 1 calc R . P B 1
C331 C -0.1444(9) -0.6476(7) 0.3756(8) 0.094(16) Uani 0.5 1 d G . P B 1
H331 H -0.1500 -0.6725 0.3534 0.112 Uiso 0.5 1 calc R . P B 1
C330 C -0.1849(8) -0.6322(6) 0.4057(7) 0.057(7) Uani 0.5 1 d G . P B 1
H330 H -0.2179 -0.6468 0.4038 0.069 Uiso 0.5 1 calc R . P B 1
C169 C -0.1767(7) -0.5953(5) 0.4386(6) 0.027(6) Uani 0.5 1 d G U P B 1
C321 C -0.4099(7) -0.5623(6) 0.4906(8) 0.055(3) Uani 0.5 1 d . U P C 1
H321 H -0.4020 -0.5360 0.5095 0.065 Uiso 0.5 1 calc R . P C 1
C320 C -0.3686(6) -0.5916(6) 0.4798(7) 0.055(3) Uani 0.5 1 d G . P C 1
C324 C -0.3805(6) -0.6311(5) 0.4515(7) 0.055(3) Uani 0.5 1 d G . P C 1
H324 H -0.3531 -0.6506 0.4444 0.065 Uiso 0.5 1 calc R . P C 1
C323 C -0.4338(7) -0.6413(5) 0.4339(7) 0.055(3) Uani 0.5 1 d G . P C 1
H323 H -0.4418 -0.6676 0.4151 0.065 Uiso 0.5 1 calc R . P C 1
C325 C -0.4751(7) -0.6121(6) 0.4447(7) 0.055(3) Uani 0.5 1 d G U P C 1
H325 H -0.5105 -0.6189 0.4330 0.065 Uiso 0.5 1 calc R . P C 1
C326 C -0.4631(7) -0.5725(6) 0.4731(7) 0.069(6) Uani 0.5 1 d G U P C 1
H326 H -0.4906 -0.5531 0.4802 0.083 Uiso 0.5 1 calc R . P C 1
C369 C -0.2016(5) -0.6049(4) 0.4374(5) 0.028(5) Uani 0.5 1 d . . P B 2
C180 C -0.1508(6) -0.5864(5) 0.4385(6) 0.030(6) Uani 0.5 1 d G . P B 2
H180 H -0.1423 -0.5617 0.4603 0.036 Uiso 0.5 1 calc R . P B 2
C201 C -0.1127(6) -0.6046(6) 0.4070(7) 0.044(6) Uani 0.5 1 d G . P B 2
H201 H -0.0786 -0.5922 0.4077 0.052 Uiso 0.5 1 calc R . P B 2
C208 C -0.1254(7) -0.6414(6) 0.3745(8) 0.047(8) Uani 0.5 1 d G . P B 2
H208 H -0.0998 -0.6537 0.3534 0.057 Uiso 0.5 1 calc R . P B 2
C192 C -0.1762(6) -0.6598(6) 0.3735(7) 0.053(8) Uani 0.5 1 d G . P B 2
H192 H -0.1848 -0.6845 0.3516 0.064 Uiso 0.5 1 calc R . P B 2
C156 C -0.2143(5) -0.6416(5) 0.4049(6) 0.033(5) Uani 0.5 1 d G . P B 2
H156 H -0.2484 -0.6541 0.4042 0.040 Uiso 0.5 1 calc R . P B 2
C160 C -0.4270(5) -0.5468(4) 0.4883(6) 0.042(5) Uani 0.5 1 d . . P C 2
H160 H -0.4156 -0.5218 0.5083 0.050 Uiso 0.5 1 calc R . P C 2
C166 C -0.3906(5) -0.5802(4) 0.4782(5) 0.024(4) Uani 0.5 1 d G . P C 2
C199 C -0.4077(5) -0.6177(4) 0.4483(5) 0.036(4) Uani 0.5 1 d G . P C 2
H199 H -0.3834 -0.6400 0.4416 0.043 Uiso 0.5 1 calc R . P C 2
C205 C -0.4615(5) -0.6217(5) 0.4283(5) 0.050(5) Uani 0.5 1 d G U P C 2
H205 H -0.4729 -0.6467 0.4083 0.060 Uiso 0.5 1 calc R . P C 2
C193 C -0.4980(5) -0.5882(5) 0.4384(6) 0.055(3) Uani 0.5 1 d G U P C 2
H193 H -0.5338 -0.5909 0.4251 0.065 Uiso 0.5 1 calc R . P C 2
C197 C -0.4807(5) -0.5508(5) 0.4683(6) 0.059(6) Uani 0.5 1 d G U P C 2
H197 H -0.5050 -0.5284 0.4749 0.070 Uiso 0.5 1 calc R . P C 2
O02 O -0.1002 -0.5672 0.0550 0.050 Uani 1 1 d D . . . .
O01 O 0.1348 0.2987 0.4845 0.050 Uani 1 1 d D . . . .
C02 C 0.1923 0.2904 0.4919 0.050 Uani 1 1 d . . . . .
H02A H 0.2099 0.3153 0.5101 0.075 Uiso 1 1 calc DGR . . . .
H02B H 0.2060 0.2863 0.4566 0.075 Uiso 1 1 calc GR . . . .
H02C H 0.1989 0.2642 0.5137 0.075 Uiso 1 1 calc GR . . . .
O04 O -0.0282 -0.6135 0.2890 0.050 Uani 1 1 d D . . . .
O03 O -0.0128 -0.6351 0.1943 0.050 Uani 1 1 d D . . . .
C01 C -0.1018 -0.5247 0.0300 0.050 Uani 1 1 d . . . . .
H01A H -0.1063 -0.5280 -0.0092 0.075 Uiso 1 1 calc GR . . . .
H01B H -0.0689 -0.5093 0.0401 0.075 Uiso 1 1 calc GR . . . .
H01C H -0.1314 -0.5081 0.0422 0.075 Uiso 1 1 calc GR . . . .
C04 C -0.0161 -0.5666 0.2993 0.050 Uani 1 1 d . . . . .
H04A H -0.0490 -0.5504 0.3011 0.075 Uiso 1 1 calc GR . . . .
H04B H 0.0033 -0.5549 0.2701 0.075 Uiso 1 1 calc DGR . . . .
H04C H 0.0054 -0.5636 0.3335 0.075 Uiso 1 1 calc GR . . . .
C03 C -0.0261 -0.6702 0.1601 0.050 Uani 1 1 d . . . . .
H03A H -0.0023 -0.6710 0.1311 0.075 Uiso 1 1 calc GR . . . .
H03B H -0.0624 -0.6669 0.1447 0.075 Uiso 1 1 calc GR . . . .
H03C H -0.0228 -0.6974 0.1807 0.075 Uiso 1 1 calc GR . . . .
H03 H -0.0194 -0.6162 0.1584 0.050 Uiso 1 1 d D . . . .
C06 C -0.0198 -0.5684 0.1233 0.050 Uani 1 1 d . . . . .
H06A H -0.0181 -0.5862 0.1560 0.075 Uiso 1 1 calc DGR . . . .
H06B H 0.0044 -0.5802 0.0984 0.075 Uiso 1 1 calc DGR . . . .
H06C H -0.0557 -0.5688 0.1061 0.075 Uiso 1 1 calc DGR . . . .
O06 O -0.0043 -0.5224 0.1377 0.050 Uani 1 1 d . . . . .
H01 H 0.1403 0.3265 0.4996 0.050 Uiso 1 1 d D . . . .
H04 H -0.0225 -0.6062 0.2552 0.050 Uiso 1 1 d D . . . .
H02 H -0.0868 -0.5893 0.0730 0.050 Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O21 2.319(5) . ?
Dy1 O22 2.345(6) . ?
Dy1 O17 2.365(5) . ?
Dy1 O20 2.344(6) . ?
Dy1 O23 2.318(6) . ?
Dy1 O19 2.323(5) . ?
Dy1 O18 2.360(5) . ?
Dy1 O24 2.358(5) . ?
Dy2 O12 2.332(6) . ?
Dy2 O10 2.340(5) . ?
Dy2 O11 2.401(6) . ?
Dy2 O9 2.341(6) . ?
Dy2 O14 2.366(5) . ?
Dy2 O16 2.355(6) . ?
Dy2 O15 2.343(6) . ?
Dy2 O13 2.346(6) . ?
Dy3 O8 2.323(5) . ?
Dy3 O5 2.351(6) . ?
Dy3 O2 2.338(5) . ?
Dy3 O7 2.370(5) . ?
Dy3 O4 2.379(7) . ?
Dy3 O6 2.368(5) . ?
Dy3 O1 2.347(6) . ?
Dy3 O3 2.326(6) . ?
O12 C4 1.269(9) . ?
O10 C14 1.247(10) . ?
O11 C6 1.269(9) . ?
O21 C41 1.279(8) . ?
O22 C99 1.269(9) . ?
O17 C9 1.273(10) . ?
O20 C104 1.234(8) . ?
O8 C96 1.282(8) . ?
O5 C26 1.282(10) . ?
O23 C43 1.264(8) . ?
O2 C42 1.265(8) . ?
O7 C8 1.273(10) . ?
O19 C33 1.251(9) . ?
O18 C10 1.280(9) . ?
O9 C12 1.271(10) . ?
O14 C2 1.244(9) . ?
O4 C63 1.270(10) . ?
O6 C27 1.274(10) . ?
O16 C16 1.283(10) . ?
O1 C152 1.35(2) . ?
O1 C307 1.272(15) . ?
O24 C92 1.274(8) . ?
O15 C17 1.249(10) . ?
O13 C3 1.269(10) . ?
O3 C176 1.286(13) . ?
C1 C2 1.382(11) . ?
C1 C3 1.398(11) . ?
C2 C45 1.506(8) . ?
C3 C53 1.496(8) . ?
C4 C5 1.395(12) . ?
C4 C19 1.498(12) . ?
C5 C6 1.396(12) . ?
C6 C7 1.495(11) . ?
C7 C20 1.394(13) . ?
C7 C23 1.382(12) . ?
C8 C40 1.400(12) . ?
C8 C54 1.500(8) . ?
C9 C11 1.415(12) . ?
C9 C51 1.493(9) . ?
C10 C11 1.383(12) . ?
C10 C55 1.517(8) . ?
C12 C13 1.406(13) . ?
C12 C82 1.477(11) . ?
C13 C14 1.411(13) . ?
C14 C60 1.511(9) . ?
C15 C16 1.380(13) . ?
C15 C17 1.413(12) . ?
C16 C78 1.498(9) . ?
C17 C18 1.482(12) . ?
C18 C126 1.364(11) . ?
C18 C127 1.393(10) . ?
C19 C95 1.381(9) . ?
C19 C125 1.386(9) . ?
C20 C21 1.389(13) . ?
C21 C22 1.389(15) . ?
C22 C124 1.378(11) . ?
C23 C124 1.380(10) . ?
C25 C49 1.389(10) . ?
C25 C141 1.344(12) . ?
C26 C67 1.502(10) . ?
C26 C83 1.375(9) . ?
C27 C38 1.503(11) . ?
C27 C83 1.389(9) . ?
C28 C53 1.396(10) . ?
C28 C165 1.366(11) . ?
C29 C46 1.366(10) . ?
C29 C74 1.387(10) . ?
C30 C33 1.412(12) . ?
C30 C104 1.435(9) . ?
C31 C42 1.499(8) . ?
C31 C88 1.384(10) . ?
C31 C89 1.397(9) . ?
C32 C54 1.375(9) . ?
C32 C91 1.382(11) . ?
C33 C101 1.502(8) . ?
C34 C38 1.369(12) . ?
C34 C136 1.378(10) . ?
C35 C41 1.393(9) . ?
C35 C99 1.397(10) . ?
C36 C105 1.390(9) . ?
C36 C121 1.392(11) . ?
C37 C45 1.391(10) . ?
C37 C79 1.389(10) . ?
C38 C44 1.378(10) . ?
C40 C96 1.374(9) . ?
C41 C85 1.482(13) . ?
C42 C103 1.38(3) . ?
C42 C61 1.378(17) . ?
C43 C68 1.484(12) . ?
C43 C84 1.409(12) . ?
C44 C138 1.412(13) . ?
C45 C133 1.376(12) . ?
C46 C50 1.377(12) . ?
C47 C66 1.376(15) . ?
C47 C133 1.390(13) . ?
C48 C52 1.368(12) . ?
C48 C73 1.358(14) . ?
C49 C53 1.382(12) . ?
C50 C55 1.392(12) . ?
C51 C130 1.370(13) . ?
C51 C131 1.395(14) . ?
C52 C54 1.387(12) . ?
C55 C86 1.360(12) . ?
C60 C139 1.379(13) . ?
C60 C174 1.372(15) . ?
C62 C82 1.355(17) . ?
C62 C157 1.418(19) . ?
C63 C162 1.405(18) . ?
C63 C320 1.241(15) . ?
C63 C166 1.680(13) . ?
C64 C78 1.398(14) . ?
C64 C173 1.397(15) . ?
C65 C71 1.368(15) . ?
C65 C125 1.388(14) . ?
C66 C79 1.352(16) . ?
C67 C149 1.415(15) . ?
C67 C150 1.399(15) . ?
C68 C167 1.394(14) . ?
C68 C179 1.360(14) . ?
C69 C77 1.367(14) . ?
C69 C81 1.391(15) . ?
C70 C105 1.386(13) . ?
C70 C119 1.381(14) . ?
C71 C76 1.376(15) . ?
C72 C90 1.395(15) . ?
C72 C134 1.364(17) . ?
C73 C91 1.386(15) . ?
C74 C86 1.396(13) . ?
C75 C88 1.415(14) . ?
C75 C114 1.334(15) . ?
C76 C95 1.384(13) . ?
C77 C102 1.379(13) . ?
C78 C140 1.392(13) . ?
C80 C100 1.378(12) . ?
C80 C128 1.380(13) . ?
C81 C97 1.371(13) . ?
C82 C172 1.415(16) . ?
C84 C92 1.368(12) . ?
C85 C94 1.374(14) . ?
C85 C123 1.393(13) . ?
C87 C100 1.385(13) . ?
C87 C129 1.385(13) . ?
C89 C115 1.373(14) . ?
C90 C99 1.517(12) . ?
C90 C170 1.336(16) . ?
C92 C93 1.519(12) . ?
C93 C98 1.391(12) . ?
C93 C116 1.383(13) . ?
C94 C122 1.404(15) . ?
C96 C100 1.491(12) . ?
C97 C101 1.388(12) . ?
C98 C117 1.363(14) . ?
C101 C102 1.395(12) . ?
C104 C105 1.509(12) . ?
C106 N1 1.503(9) . ?
C107 N1 1.518(10) . ?
C108 N1 1.483(9) . ?
C109 C110 1.494(15) . ?
C109 N1 1.514(10) . ?
C110 C111 1.386(14) . ?
C110 C113 1.395(15) . ?
C111 C145 1.380(15) . ?
C113 C143 1.366(17) . ?
C114 C115 1.369(16) . ?
C116 C147 1.394(14) . ?
C117 C146 1.366(16) . ?
C119 C120 1.343(16) . ?
C120 C121 1.364(15) . ?
C122 C153 1.374(16) . ?
C123 C155 1.383(16) . ?
C126 C142 1.390(14) . ?
C127 C177 1.399(16) . ?
C128 C148 1.368(16) . ?
C129 C148 1.336(16) . ?
C130 C181 1.403(15) . ?
C131 C132 1.394(15) . ?
C132 C163 1.335(16) . ?
C134 C135 1.37(2) . ?
C135 C164 1.35(2) . ?
C136 C137 1.388(16) . ?
C137 C138 1.361(16) . ?
C139 C168 1.410(16) . ?
C140 C171 1.391(14) . ?
C141 C165 1.381(17) . ?
C142 C175 1.341(16) . ?
C143 C144 1.347(16) . ?
C144 C145 1.361(15) . ?
C146 C147 1.354(16) . ?
C149 C202 1.406(14) . ?
C150 C151 1.361(15) . ?
C151 C158 1.34(2) . ?
C153 C155 1.366(18) . ?
C154 C161 1.365(19) . ?
C154 C168 1.354(18) . ?
C157 C195 1.39(2) . ?
C158 C202 1.342(18) . ?
C159 C167 1.390(16) . ?
C159 C200 1.35(2) . ?
C161 C174 1.382(16) . ?
C162 C176 1.375(19) . ?
C163 C181 1.367(17) . ?
C164 C170 1.410(16) . ?
C171 C178 1.343(15) . ?
C172 C203 1.369(14) . ?
C173 C178 1.381(16) . ?
C175 C177 1.353(17) . ?
C176 C169 1.718(15) . ?
C176 C369 1.385(12) . ?
C179 C206 1.385(12) . ?
C182 C188 1.38(2) . ?
C182 C189 1.405(19) . ?
C183 C188 1.399(18) . ?
C183 C190 1.41(2) . ?
C184 C188 1.530(16) . ?
C184 N2 1.519(9) . ?
C185 N2 1.481(13) . ?
C186 N2 1.486(11) . ?
C187 N2 1.509(12) . ?
C189 C220 1.41(2) . ?
C190 C220 1.38(3) . ?
C195 C203 1.38(2) . ?
C200 C206 1.376(16) . ?
C209 N3 1.480(18) . ?
C210 N3 1.40(2) . ?
C211 N3 1.404(14) . ?
C212 C213 1.537(9) . ?
C212 N3 1.527(9) . ?
C221 C219 1.3900 . ?
C221 C213 1.3900 . ?
C219 C234 1.3900 . ?
C234 C233 1.3900 . ?
C233 C218 1.3900 . ?
C218 C213 1.3900 . ?
C103 C152 1.34(3) . ?
C152 C300 1.55(3) . ?
C300 C301 1.381(6) . ?
C300 C305 1.382(6) . ?
C301 C302 1.381(6) . ?
C302 C303 1.381(6) . ?
C303 C304 1.59(3) 3_546 ?
C303 C304 1.381(6) . ?
C303 C305 1.99(3) 3_546 ?
C304 C303 1.59(3) 3_546 ?
C304 C304 0.64(2) 3_546 ?
C304 C305 1.380(6) . ?
C304 C305 1.93(3) 3_546 ?
C305 C303 1.99(2) 3_546 ?
C305 C304 1.93(2) 3_546 ?
C61 C307 1.546(7) . ?
C307 C308 1.48(2) . ?
C308 C309 1.404(8) . ?
C308 C341 1.403(8) . ?
C309 C310 1.402(8) . ?
C310 C311 1.404(8) . ?
C311 C312 1.402(8) . ?
C312 C341 1.404(8) . ?
C334 C333 1.379(11) . ?
C334 C169 1.380(11) . ?
C333 C332 1.381(11) . ?
C332 C331 1.379(11) . ?
C331 C330 1.379(11) . ?
C330 C169 1.379(11) . ?
C321 C320 1.399(10) . ?
C321 C326 1.398(10) . ?
C320 C324 1.399(10) . ?
C324 C323 1.399(10) . ?
C323 C325 1.398(10) . ?
C325 C326 1.398(10) . ?
C369 C180 1.384(9) . ?
C369 C156 1.385(9) . ?
C180 C201 1.385(9) . ?
C201 C208 1.387(9) . ?
C208 C192 1.384(9) . ?
C192 C156 1.384(9) . ?
C160 C166 1.394(8) . ?
C160 C197 1.395(8) . ?
C166 C199 1.395(8) . ?
C199 C205 1.396(8) . ?
C205 C193 1.395(8) . ?
C193 C197 1.395(8) . ?
O02 C01 1.4178 . ?
O01 C02 1.4551 . ?
O04 C04 1.4636 . ?
O03 C03 1.3716 . ?
C06 O06 1.4732 . ?

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
O21 Dy1 O22 71.1(2) . . ?
O21 Dy1 O17 116.8(2) . . ?
O21 Dy1 O20 80.6(2) . . ?
O21 Dy1 O19 148.03(19) . . ?
O21 Dy1 O18 76.78(19) . . ?
O21 Dy1 O24 74.54(19) . . ?
O22 Dy1 O17 72.9(2) . . ?
O22 Dy1 O18 111.8(2) . . ?
O22 Dy1 O24 83.8(2) . . ?
O20 Dy1 O22 147.6(2) . . ?
O20 Dy1 O17 136.03(18) . . ?
O20 Dy1 O18 75.2(2) . . ?
O20 Dy1 O24 73.66(19) . . ?
O23 Dy1 O21 134.08(19) . . ?
O23 Dy1 O22 75.8(2) . . ?
O23 Dy1 O17 81.4(2) . . ?
O23 Dy1 O20 116.5(2) . . ?
O23 Dy1 O19 74.06(19) . . ?
O23 Dy1 O18 146.6(2) . . ?
O23 Dy1 O24 71.0(2) . . ?
O19 Dy1 O22 139.9(2) . . ?
O19 Dy1 O17 76.9(2) . . ?
O19 Dy1 O20 71.22(19) . . ?
O19 Dy1 O18 81.64(19) . . ?
O19 Dy1 O24 110.24(19) . . ?
O18 Dy1 O17 70.89(19) . . ?
O24 Dy1 O17 147.60(19) . . ?
O24 Dy1 O18 140.4(2) . . ?
O12 Dy2 O10 75.6(2) . . ?
O12 Dy2 O11 71.4(2) . . ?
O12 Dy2 O9 135.8(2) . . ?
O12 Dy2 O14 72.09(19) . . ?
O12 Dy2 O16 104.0(2) . . ?
O12 Dy2 O15 148.3(2) . . ?
O12 Dy2 O13 91.5(2) . . ?
O10 Dy2 O11 79.9(2) . . ?
O10 Dy2 O9 72.4(2) . . ?
O10 Dy2 O14 129.6(2) . . ?
O10 Dy2 O16 151.9(2) . . ?
O10 Dy2 O15 122.0(2) . . ?
O10 Dy2 O13 70.1(2) . . ?
O9 Dy2 O11 73.6(2) . . ?
O9 Dy2 O14 151.7(2) . . ?
O9 Dy2 O16 91.1(2) . . ?
O9 Dy2 O15 75.8(2) . . ?
O9 Dy2 O13 105.1(2) . . ?
O14 Dy2 O11 122.88(19) . . ?
O16 Dy2 O11 73.6(2) . . ?
O16 Dy2 O14 74.4(2) . . ?
O15 Dy2 O11 133.7(2) . . ?
O15 Dy2 O14 76.8(2) . . ?
O15 Dy2 O16 73.1(2) . . ?
O15 Dy2 O13 73.3(2) . . ?
O13 Dy2 O11 148.43(19) . . ?
O13 Dy2 O14 73.16(19) . . ?
O13 Dy2 O16 137.49(19) . . ?
O8 Dy3 O5 136.7(2) . . ?
O8 Dy3 O2 75.2(2) . . ?
O8 Dy3 O7 71.40(19) . . ?
O8 Dy3 O4 77.4(2) . . ?
O8 Dy3 O6 76.0(2) . . ?
O8 Dy3 O1 116.4(2) . . ?
O8 Dy3 O3 144.9(2) . . ?
O5 Dy3 O7 75.3(2) . . ?
O5 Dy3 O4 121.0(2) . . ?
O5 Dy3 O6 72.31(19) . . ?
O2 Dy3 O5 144.5(2) . . ?
O2 Dy3 O7 111.8(2) . . ?
O2 Dy3 O4 74.0(2) . . ?
O2 Dy3 O6 141.95(19) . . ?
O2 Dy3 O1 71.3(2) . . ?
O7 Dy3 O4 145.0(2) . . ?
O6 Dy3 O7 81.44(19) . . ?
O6 Dy3 O4 75.8(2) . . ?
O1 Dy3 O5 78.3(2) . . ?
O1 Dy3 O7 73.4(2) . . ?
O1 Dy3 O4 136.9(2) . . ?
O1 Dy3 O6 145.2(2) . . ?
O3 Dy3 O5 75.6(2) . . ?
O3 Dy3 O2 80.2(2) . . ?
O3 Dy3 O7 142.4(3) . . ?
O3 Dy3 O4 71.9(3) . . ?
O3 Dy3 O6 111.6(2) . . ?
O3 Dy3 O1 77.8(3) . . ?
C4 O12 Dy2 133.3(5) . . ?
C14 O10 Dy2 138.3(6) . . ?
C6 O11 Dy2 130.6(5) . . ?
C41 O21 Dy1 128.1(4) . . ?
C99 O22 Dy1 130.0(4) . . ?
C9 O17 Dy1 131.7(5) . . ?
C104 O20 Dy1 132.4(4) . . ?
C96 O8 Dy3 128.4(4) . . ?
C26 O5 Dy3 132.6(5) . . ?
C43 O23 Dy1 136.4(4) . . ?
C42 O2 Dy3 135.1(4) . . ?
C8 O7 Dy3 130.1(5) . . ?
C33 O19 Dy1 134.2(5) . . ?
C10 O18 Dy1 129.6(5) . . ?
C12 O9 Dy2 135.6(6) . . ?
C2 O14 Dy2 135.4(5) . . ?
C63 O4 Dy3 132.4(6) . . ?
C27 O6 Dy3 133.2(5) . . ?
C16 O16 Dy2 131.2(6) . . ?
C152 O1 Dy3 123.8(9) . . ?
C307 O1 Dy3 140.0(7) . . ?
C92 O24 Dy1 134.5(4) . . ?
C17 O15 Dy2 134.7(6) . . ?
C3 O13 Dy2 134.4(5) . . ?
C176 O3 Dy3 133.6(6) . . ?
C2 C1 C3 124.9(8) . . ?
O14 C2 C1 125.5(8) . . ?
O14 C2 C45 116.7(6) . . ?
C1 C2 C45 117.7(6) . . ?
O13 C3 C1 124.9(8) . . ?
O13 C3 C53 116.4(6) . . ?
C1 C3 C53 118.8(7) . . ?
O12 C4 C5 123.7(8) . . ?
O12 C4 C19 116.2(7) . . ?
C5 C4 C19 120.2(7) . . ?
C4 C5 C6 124.9(7) . . ?
O11 C6 C5 124.4(7) . . ?
O11 C6 C7 116.2(8) . . ?
C5 C6 C7 119.3(7) . . ?
C20 C7 C6 120.5(8) . . ?
C23 C7 C6 120.1(8) . . ?
C23 C7 C20 119.4(8) . . ?
O7 C8 C40 123.5(8) . . ?
O7 C8 C54 115.5(7) . . ?
C40 C8 C54 121.0(7) . . ?
O17 C9 C11 123.2(8) . . ?
O17 C9 C51 116.6(7) . . ?
C11 C9 C51 120.2(7) . . ?
O18 C10 C11 124.0(7) . . ?
O18 C10 C55 114.9(7) . . ?
C11 C10 C55 121.1(6) . . ?
C10 C11 C9 124.6(8) . . ?
O9 C12 C13 124.6(8) . . ?
O9 C12 C82 116.7(7) . . ?
C13 C12 C82 118.6(7) . . ?
C12 C13 C14 124.0(8) . . ?
O10 C14 C13 123.2(8) . . ?
O10 C14 C60 116.9(7) . . ?
C13 C14 C60 119.8(7) . . ?
C16 C15 C17 125.1(8) . . ?
O16 C16 C15 124.4(8) . . ?
O16 C16 C78 117.0(7) . . ?
C15 C16 C78 118.6(7) . . ?
O15 C17 C15 124.5(8) . . ?
O15 C17 C18 116.7(8) . . ?
C15 C17 C18 118.7(8) . . ?
C126 C18 C17 120.4(7) . . ?
C126 C18 C127 117.4(7) . . ?
C127 C18 C17 122.1(7) . . ?
C95 C19 C4 118.7(7) . . ?
C95 C19 C125 118.7(6) . . ?
C125 C19 C4 122.5(7) . . ?
C21 C20 C7 120.4(10) . . ?
C22 C21 C20 119.1(9) . . ?
C124 C22 C21 120.5(8) . . ?
C124 C23 C7 120.4(8) . . ?
C141 C25 C49 119.7(8) . . ?
O5 C26 C67 116.3(7) . . ?
O5 C26 C83 125.7(7) . . ?
C83 C26 C67 118.0(6) . . ?
O6 C27 C38 116.6(7) . . ?
O6 C27 C83 125.0(7) . . ?
C83 C27 C38 118.4(7) . . ?
C165 C28 C53 121.3(8) . . ?
C46 C29 C74 118.8(6) . . ?
C33 C30 C104 121.7(7) . . ?
C88 C31 C42 118.4(6) . . ?
C88 C31 C89 117.6(6) . . ?
C89 C31 C42 124.0(6) . . ?
C54 C32 C91 120.9(7) . . ?
O19 C33 C30 123.9(8) . . ?
O19 C33 C101 116.0(6) . . ?
C30 C33 C101 120.1(6) . . ?
C38 C34 C136 121.6(9) . . ?
C41 C35 C99 123.2(6) . . ?
C105 C36 C121 118.9(7) . . ?
C79 C37 C45 119.6(7) . . ?
C34 C38 C27 122.4(8) . . ?
C34 C38 C44 118.3(7) . . ?
C44 C38 C27 119.3(7) . . ?
C96 C40 C8 124.6(7) . . ?
O21 C41 C35 123.3(7) . . ?
O21 C41 C85 115.6(7) . . ?
C35 C41 C85 121.1(7) . . ?
O2 C42 C31 116.1(6) . . ?
O2 C42 C103 124.1(9) . . ?
O2 C42 C61 123.4(8) . . ?
C103 C42 C31 119.6(9) . . ?
C61 C42 C31 120.5(8) . . ?
O23 C43 C68 116.1(7) . . ?
O23 C43 C84 123.2(7) . . ?
C84 C43 C68 120.6(8) . . ?
C38 C44 C138 121.4(9) . . ?
C37 C45 C2 122.0(6) . . ?
C133 C45 C2 119.0(7) . . ?
C133 C45 C37 119.0(7) . . ?
C29 C46 C50 121.3(8) . . ?
C66 C47 C133 118.3(10) . . ?
C73 C48 C52 121.5(9) . . ?
C53 C49 C25 120.7(8) . . ?
C46 C50 C55 120.0(9) . . ?
C130 C51 C9 119.3(8) . . ?
C130 C51 C131 117.2(9) . . ?
C131 C51 C9 123.5(8) . . ?
C48 C52 C54 121.0(9) . . ?
C28 C53 C3 119.8(6) . . ?
C49 C53 C3 122.3(7) . . ?
C49 C53 C28 117.8(7) . . ?
C32 C54 C8 119.0(6) . . ?
C32 C54 C52 117.7(7) . . ?
C52 C54 C8 123.3(7) . . ?
C50 C55 C10 122.2(7) . . ?
C86 C55 C10 118.6(7) . . ?
C86 C55 C50 119.3(8) . . ?
C139 C60 C14 123.2(9) . . ?
C174 C60 C14 117.7(8) . . ?
C174 C60 C139 119.0(10) . . ?
C82 C62 C157 121.1(15) . . ?
O4 C63 C162 124.6(11) . . ?
O4 C63 C166 112.6(9) . . ?
C162 C63 C166 122.5(9) . . ?
C320 C63 O4 125.0(10) . . ?
C320 C63 C162 109.6(9) . . ?
C173 C64 C78 119.5(10) . . ?
C71 C65 C125 119.1(10) . . ?
C79 C66 C47 121.7(9) . . ?
C149 C67 C26 120.0(10) . . ?
C150 C67 C26 122.1(9) . . ?
C150 C67 C149 117.9(11) . . ?
C167 C68 C43 122.7(9) . . ?
C179 C68 C43 118.4(9) . . ?
C179 C68 C167 118.9(10) . . ?
C77 C69 C81 121.1(9) . . ?
C119 C70 C105 119.1(10) . . ?
C65 C71 C76 121.5(10) . . ?
C134 C72 C90 121.3(14) . . ?
C48 C73 C91 118.3(9) . . ?
C29 C74 C86 120.0(9) . . ?
C114 C75 C88 121.4(11) . . ?
C71 C76 C95 118.8(10) . . ?
C69 C77 C102 119.0(10) . . ?
C64 C78 C16 119.1(8) . . ?
C140 C78 C16 121.8(8) . . ?
C140 C78 C64 119.0(9) . . ?
C66 C79 C37 120.1(9) . . ?
C100 C80 C128 120.1(10) . . ?
C97 C81 C69 119.2(9) . . ?
C62 C82 C12 119.9(10) . . ?
C62 C82 C172 119.2(12) . . ?
C172 C82 C12 120.9(10) . . ?
C26 C83 C27 124.3(6) . . ?
C92 C84 C43 124.0(8) . . ?
C94 C85 C41 117.2(8) . . ?
C94 C85 C123 118.9(10) . . ?
C123 C85 C41 123.9(9) . . ?
C55 C86 C74 120.6(9) . . ?
C100 C87 C129 120.2(9) . . ?
C31 C88 C75 119.5(9) . . ?
C115 C89 C31 121.2(10) . . ?
C72 C90 C99 123.8(11) . . ?
C170 C90 C72 117.6(11) . . ?
C170 C90 C99 118.6(9) . . ?
C32 C91 C73 120.5(9) . . ?
O24 C92 C84 124.7(7) . . ?
O24 C92 C93 114.5(7) . . ?
C84 C92 C93 120.8(8) . . ?
C98 C93 C92 123.5(8) . . ?
C116 C93 C92 118.5(8) . . ?
C116 C93 C98 118.0(9) . . ?
C85 C94 C122 120.3(10) . . ?
C19 C95 C76 121.1(9) . . ?
O8 C96 C40 124.5(7) . . ?
O8 C96 C100 116.2(7) . . ?
C40 C96 C100 119.2(7) . . ?
C81 C97 C101 121.2(9) . . ?
C117 C98 C93 121.1(10) . . ?
O22 C99 C35 124.8(6) . . ?
O22 C99 C90 113.9(8) . . ?
C35 C99 C90 121.3(7) . . ?
C80 C100 C87 118.8(9) . . ?
C80 C100 C96 123.0(8) . . ?
C87 C100 C96 118.0(8) . . ?
C97 C101 C33 124.1(7) . . ?
C97 C101 C102 117.9(8) . . ?
C102 C101 C33 117.8(7) . . ?
C77 C102 C101 121.5(9) . . ?
O20 C104 C30 124.9(6) . . ?
O20 C104 C105 116.4(7) . . ?
C30 C104 C105 118.7(7) . . ?
C36 C105 C104 117.4(7) . . ?
C70 C105 C36 119.4(8) . . ?
C70 C105 C104 123.2(8) . . ?
C110 C109 N1 115.0(7) . . ?
C111 C110 C109 121.5(10) . . ?
C111 C110 C113 118.0(11) . . ?
C113 C110 C109 120.6(10) . . ?
C145 C111 C110 120.2(10) . . ?
C143 C113 C110 121.3(11) . . ?
C75 C114 C115 119.8(10) . . ?
C114 C115 C89 120.5(10) . . ?
C93 C116 C147 119.9(10) . . ?
C98 C117 C146 120.3(10) . . ?
C120 C119 C70 122.2(11) . . ?
C119 C120 C121 119.2(10) . . ?
C120 C121 C36 121.2(9) . . ?
C153 C122 C94 120.6(12) . . ?
C155 C123 C85 119.7(11) . . ?
C22 C124 C23 120.1(8) . . ?
C19 C125 C65 120.7(9) . . ?
C18 C126 C142 122.0(10) . . ?
C18 C127 C177 119.2(10) . . ?
C148 C128 C80 119.8(10) . . ?
C148 C129 C87 120.0(11) . . ?
C51 C130 C181 122.0(11) . . ?
C132 C131 C51 120.3(10) . . ?
C163 C132 C131 120.2(12) . . ?
C45 C133 C47 121.3(10) . . ?
C72 C134 C135 120.8(13) . . ?
C164 C135 C134 118.3(11) . . ?
C34 C136 C137 119.2(9) . . ?
C138 C137 C136 120.9(10) . . ?
C137 C138 C44 118.4(10) . . ?
C60 C139 C168 120.7(12) . . ?
C171 C140 C78 119.9(10) . . ?
C25 C141 C165 121.4(9) . . ?
C175 C142 C126 120.3(11) . . ?
C144 C143 C113 119.0(11) . . ?
C143 C144 C145 122.1(12) . . ?
C144 C145 C111 119.3(11) . . ?
C147 C146 C117 120.0(10) . . ?
C146 C147 C116 120.6(11) . . ?
C129 C148 C128 121.1(11) . . ?
C202 C149 C67 118.3(12) . . ?
C151 C150 C67 120.8(13) . . ?
C158 C151 C150 120.8(15) . . ?
C155 C153 C122 118.5(12) . . ?
C168 C154 C161 120.8(12) . . ?
C153 C155 C123 122.0(11) . . ?
C195 C157 C62 118.7(16) . . ?
C202 C158 C151 121.2(13) . . ?
C200 C159 C167 122.5(13) . . ?
C154 C161 C174 120.7(14) . . ?
C176 C162 C63 123.8(10) . . ?
C132 C163 C181 121.2(11) . . ?
C135 C164 C170 120.7(14) . . ?
C28 C165 C141 119.0(9) . . ?
C159 C167 C68 118.9(11) . . ?
C154 C168 C139 118.7(12) . . ?
C90 C170 C164 121.2(13) . . ?
C178 C171 C140 120.7(11) . . ?
C203 C172 C82 120.3(12) . . ?
C178 C173 C64 119.8(11) . . ?
C60 C174 C161 120.0(12) . . ?
C142 C175 C177 119.4(11) . . ?
O3 C176 C162 125.4(10) . . ?
O3 C176 C169 103.2(11) . . ?
O3 C176 C369 123.7(14) . . ?
C162 C176 C169 131.3(9) . . ?
C162 C176 C369 110.7(11) . . ?
C175 C177 C127 121.6(11) . . ?
C171 C178 C173 120.9(10) . . ?
C68 C179 C206 120.8(10) . . ?
C163 C181 C130 118.3(11) . . ?
C188 C182 C189 122.7(17) . . ?
C188 C183 C190 115.5(17) . . ?
N2 C184 C188 112.5(7) . . ?
C182 C188 C183 122.6(13) . . ?
C182 C188 C184 119.2(12) . . ?
C183 C188 C184 118.2(13) . . ?
C182 C189 C220 114.2(17) . . ?
C220 C190 C183 121.3(15) . . ?
C203 C195 C157 120.0(13) . . ?
C159 C200 C206 117.8(11) . . ?
C158 C202 C149 120.7(10) . . ?
C172 C203 C195 120.6(13) . . ?
C200 C206 C179 121.1(9) . . ?
N3 C212 C213 122.3(12) . . ?
C190 C220 C189 123.6(11) . . ?
C219 C221 C213 120.0 . . ?
C221 C219 C234 120.0 . . ?
C233 C234 C219 120.0 . . ?
C218 C233 C234 120.0 . . ?
C213 C218 C233 120.0 . . ?
C221 C213 C212 123.6(11) . . ?
C218 C213 C212 116.2(11) . . ?
C218 C213 C221 120.0 . . ?
C106 N1 C107 107.8(6) . . ?
C106 N1 C109 111.9(6) . . ?
C108 N1 C106 108.6(6) . . ?
C108 N1 C107 107.5(6) . . ?
C108 N1 C109 111.6(6) . . ?
C109 N1 C107 109.3(6) . . ?
C185 N2 C184 110.2(7) . . ?
C185 N2 C186 107.4(7) . . ?
C185 N2 C187 113.1(9) . . ?
C186 N2 C184 106.8(6) . . ?
C186 N2 C187 108.0(8) . . ?
C187 N2 C184 111.1(6) . . ?
C209 N3 C212 98.5(12) . . ?
C210 N3 C209 106.2(13) . . ?
C210 N3 C211 109.6(19) . . ?
C210 N3 C212 123.9(17) . . ?
C211 N3 C209 114.2(14) . . ?
C211 N3 C212 104.2(10) . . ?
C152 C103 C42 119(2) . . ?
O1 C152 C300 112.5(16) . . ?
C103 C152 O1 126(2) . . ?
C103 C152 C300 117.5(17) . . ?
C301 C300 C152 121.1(11) . . ?
C301 C300 C305 120.0 . . ?
C305 C300 C152 118.8(10) . . ?
C302 C301 C300 120.0 . . ?
C301 C302 C303 120.0 . . ?
C302 C303 C304 120.0 . . ?
C302 C303 C304 143.5(10) . 3_546 ?
C302 C303 C305 172.6(13) . 3_546 ?
C304 C303 C304 23.6(9) . 3_546 ?
C304 C303 C305 67.2(13) . 3_546 ?
C304 C303 C305 43.6(7) 3_546 3_546 ?
C303 C304 C303 156.3(12) . 3_546 ?
C303 C304 C305 84.8(10) 3_546 3_546 ?
C303 C304 C305 71.5(14) . 3_546 ?
C304 C304 C303 97(3) 3_546 . ?
C304 C304 C303 59(2) 3_546 3_546 ?
C304 C304 C305 143(3) 3_546 . ?
C304 C304 C305 25.7(18) 3_546 3_546 ?
C305 C304 C303 120.0 . . ?
C305 C304 C303 83.6(12) . 3_546 ?
C305 C304 C305 168.4(14) . 3_546 ?
C300 C305 C303 172.6(12) . 3_546 ?
C300 C305 C304 131.5(10) . 3_546 ?
C304 C305 C300 120.0 . . ?
C304 C305 C303 52.8(11) . 3_546 ?
C304 C305 C303 41.2(4) 3_546 3_546 ?
C304 C305 C304 11.7(10) . 3_546 ?
C42 C61 C307 122.2(11) . . ?
O1 C307 C61 114.5(9) . . ?
O1 C307 C308 119.7(12) . . ?
C308 C307 C61 124.2(8) . . ?
C309 C308 C307 119.0(9) . . ?
C341 C308 C307 121.0(9) . . ?
C341 C308 C309 120.0 . . ?
C310 C309 C308 120.0 . . ?
C309 C310 C311 120.0 . . ?
C312 C311 C310 120.0 . . ?
C311 C312 C341 120.0 . . ?
C308 C341 C312 120.0 . . ?
C333 C334 C169 120.0 . . ?
C334 C333 C332 120.0 . . ?
C331 C332 C333 119.9 . . ?
C330 C331 C332 120.0 . . ?
C169 C330 C331 120.0 . . ?
C334 C169 C176 127.0(8) . . ?
C330 C169 C176 113.0(8) . . ?
C330 C169 C334 120.0 . . ?
C326 C321 C320 120.0 . . ?
C63 C320 C321 109.9(12) . . ?
C63 C320 C324 130.1(12) . . ?
C324 C320 C321 120.0 . . ?
C320 C324 C323 119.9 . . ?
C325 C323 C324 120.1 . . ?
C326 C325 C323 120.0 . . ?
C325 C326 C321 120.0 . . ?
C176 C369 C156 130.7(8) . . ?
C180 C369 C176 109.1(8) . . ?
C180 C369 C156 120.0 . . ?
C369 C180 C201 120.0 . . ?
C180 C201 C208 120.0 . . ?
C192 C208 C201 119.9 . . ?
C208 C192 C156 120.1 . . ?
C192 C156 C369 120.0 . . ?
C166 C160 C197 120.0 . . ?
C160 C166 C63 122.3(7) . . ?
C160 C166 C199 120.1 . . ?
C199 C166 C63 117.5(7) . . ?
C166 C199 C205 120.0 . . ?
C193 C205 C199 120.0 . . ?
C205 C193 C197 120.0 . . ?
C160 C197 C193 120.1 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
