# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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. 
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data_1a
_database_code_depnum_ccdc_archive 'CCDC 1920443'
loop_
_audit_author_name
_audit_author_address
'Ge Li'
;Lanzhou University
China
;
_audit_update_record             
;
2019-08-20 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-08-15
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.07.31 svn.r3643 for OlexSys, GUI svn.r5859)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C48 H45 Dy N6 Na1.5 O12), H N0.5 O2, 2(N O3)'
_chemical_formula_sum            'C96 H91 Dy2 N14.50 Na3 O32'
_chemical_formula_weight         2353.80
_chemical_absolute_configuration ?
_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'
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   21.876(6)
_cell_length_b                   20.204(5)
_cell_length_c                   56.153(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     24819(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9806
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.191
_cell_measurement_theta_min      2.272
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.278
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1166 before and 0.0634 after correction.
The Ratio of minimum to maximum transmission is 0.6694.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9516
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0679
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -66
_diffrn_reflns_number            61577
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         0.725
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.862
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                20209
_reflns_number_total             21795
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'SAINT v7.68A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.076
_refine_diff_density_min         -2.670
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.070(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1335
_refine_ls_number_reflns         21795
_refine_ls_number_restraints     188
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0593
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0481P)²+226.9290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1310
_refine_ls_wR_factor_ref         0.1328
_refine_special_details          
'Refined as a 2-component inversion twin.,SQUEEZE'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.930(13)
 0.070(13)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
3. Restrained distances
 H6-O26
 2 with sigma of 0.02
 N13-O25
 1.2 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C62) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C64)
\\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C63) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C28) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C65) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O6) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C41) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O25) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O27) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C62, C60, C59, C61, C63, C64
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C32, C31, C30, C28, C29, C27
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N13, O25, O26, O27
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: H25A(0.5) H25B(0.5) O26(0.5) O27(0.5) N13(0.5)
7.a Riding coordinates:
 O12(H12), O21(H21A), O24(H24A), O18(H18), O25(H25A,H25B)
7.b Ternary CH refined with riding coordinates:
 C26(H26), C10(H10), C42(H42), C86(H86), C58(H58), C70(H70)
7.c Aromatic/amide H refined with riding coordinates:
 N6(H6A), N4(H4), N2(H2), C40(H40), C24(H24), C8(H8), C37(H37), C46(H46),
 C20(H20), C21(H21), C28(H28), C36(H36), C38(H38), C47(H47), C48(H48), C31(H31),
  C15(H15), C32(H32), C12(H12A), C29(H29), C14(H14), C30(H30), C13(H13),
 C16(H16), C6(H6B), C5(H5), C4(H4A), C22(H22), C45(H45), C44(H44), N12(H12B),
 N10(H10A), N8(H8A), C62(H62), C61(H61), C60(H60), C64(H64), C63(H63), C74(H74),
  C56(H56), C54(H54), C88(H88), C68(H68), C93(H93), C53(H53), C84(H84),
 C77(H77), C92(H92), C72(H72), C78(H78), C90(H90), C89(H89), C52(H52), C79(H79),
  C95(H95), C91(H91), C73(H73), C75(H75), C76(H76), C94(H94)
7.d Fitted hexagon refined as free rotating group:
 C62(C61,C60,C59,C64,C63)
7.e Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C3(H3A,H3B,H3C), C35(H35A,H35B,H35C), C96(H96A,H96B,
 H96C), C51(H51A,H51B,H51C), C80(H80A,H80B,H80C)
7.f Idealised tetrahedral OH refined as rotating group:
 O9(H9), O6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.21287(2) 0.37953(2) 0.53438(2) 0.01803(12) Uani 1 1 d . . . . .
Na1 Na 0.16654(19) 0.5525(2) 0.52374(8) 0.0226(10) Uani 1 1 d . . . . .
Na2 Na 0.3021(3) 0.500000 0.500000 0.0229(14) Uani 1 2 d S T P . .
O10 O 0.0648(3) 0.4130(4) 0.47572(13) 0.0241(18) Uani 1 1 d . . . . .
O4 O 0.3726(3) 0.4290(4) 0.48270(14) 0.0243(18) Uani 1 1 d . . . . .
O7 O 0.1951(3) 0.5959(4) 0.56022(14) 0.0229(18) Uani 1 1 d . . . . .
O2 O 0.2429(3) 0.4882(3) 0.53971(12) 0.0179(16) Uani 1 1 d . . . . .
O1 O 0.1330(3) 0.4323(4) 0.51465(14) 0.0193(16) Uani 1 1 d . . . . .
O3 O 0.2607(3) 0.3960(4) 0.49804(13) 0.0187(16) Uani 1 1 d . . . . .
O8 O 0.2746(3) 0.2792(4) 0.53404(15) 0.0236(17) Uani 1 1 d . . . . .
O11 O 0.2355(3) 0.3767(4) 0.57567(13) 0.0255(17) Uani 1 1 d . . . . .
O12 O 0.2019(4) 0.4588(4) 0.62952(14) 0.035(2) Uani 1 1 d . . . . .
H12 H 0.177832 0.493288 0.630780 0.053 Uiso 1 1 d R U . . .
O9 O 0.4316(4) 0.2392(5) 0.5212(2) 0.051(3) Uani 1 1 d . . . . .
H9 H 0.446924 0.214285 0.511326 0.077 Uiso 1 1 calc R U . . .
O6 O 0.0092(4) 0.2197(5) 0.51471(16) 0.041(2) Uani 1 1 d . U . . .
H6 H 0.021880 0.181561 0.514550 0.062 Uiso 1 1 calc DR U . . .
O5 O 0.1306(3) 0.3039(4) 0.54481(14) 0.0256(18) Uani 1 1 d . . . . .
N3 N 0.3303(4) 0.3910(5) 0.54336(15) 0.0193(19) Uani 1 1 d . . . . .
N6 N 0.1593(4) 0.4444(5) 0.58613(15) 0.019(2) Uani 1 1 d . . . . .
H6A H 0.141884 0.470053 0.596302 0.023 Uiso 1 1 calc R U . . .
N4 N 0.3626(4) 0.3382(4) 0.53613(17) 0.0198(19) Uani 1 1 d . . . . .
H4 H 0.401539 0.340447 0.534132 0.024 Uiso 1 1 calc R U . . .
N2 N 0.1189(4) 0.2708(5) 0.50684(17) 0.026(2) Uani 1 1 d . . . . .
H2 H 0.097732 0.251738 0.495911 0.032 Uiso 1 1 calc R U . . .
N1 N 0.1763(4) 0.2974(5) 0.50217(17) 0.023(2) Uani 1 1 d . . . . .
N5 N 0.1346(4) 0.4318(5) 0.56383(17) 0.024(2) Uani 1 1 d . . . . .
C40 C 0.0761(5) 0.4431(5) 0.5616(2) 0.021(2) Uani 1 1 d . . . . .
H40 H 0.054657 0.459460 0.574621 0.025 Uiso 1 1 calc R U . . .
C39 C 0.0435(5) 0.4314(5) 0.5398(2) 0.022(3) Uani 1 1 d . . . . .
C24 C 0.3590(5) 0.4344(6) 0.5556(2) 0.024(3) Uani 1 1 d . . . . .
H24 H 0.400367 0.427424 0.558465 0.029 Uiso 1 1 calc R U . . .
C26 C 0.3681(6) 0.2195(6) 0.5255(2) 0.033(3) Uani 1 1 d . . . . .
H26 H 0.350811 0.200032 0.510987 0.040 Uiso 1 1 calc R U . . .
C25 C 0.3322(5) 0.2828(6) 0.5322(2) 0.026(3) Uani 1 1 d . . . . .
C8 C 0.2038(5) 0.2723(5) 0.4844(2) 0.021(2) Uani 1 1 d . . . . .
H8 H 0.184204 0.238286 0.476272 0.025 Uiso 1 1 calc R U . . .
C7 C 0.2627(6) 0.2923(6) 0.4760(2) 0.031(3) Uani 1 1 d . . . . .
C17 C 0.2746(5) 0.5176(5) 0.55726(18) 0.017(2) Uani 1 1 d . . . . .
C37 C -0.0572(5) 0.4151(7) 0.5213(3) 0.035(3) Uani 1 1 d . . . . .
H37 H -0.099406 0.411060 0.522456 0.042 Uiso 1 1 calc R U . . .
C2 C 0.3486(5) 0.3689(5) 0.47510(19) 0.023(3) Uani 1 1 d . . . . .
C9 C 0.0985(5) 0.2762(5) 0.52890(19) 0.022(2) Uani 1 1 d . . . . .
C41 C 0.2109(5) 0.4142(5) 0.59049(18) 0.020(2) Uani 1 1 d . U . . .
C34 C 0.0354(5) 0.4161(6) 0.4973(2) 0.021(2) Uani 1 1 d . . . . .
C46 C 0.3178(9) 0.2430(8) 0.6361(3) 0.062(5) Uani 1 1 d . . . . .
H46 H 0.333564 0.201641 0.639924 0.074 Uiso 1 1 calc R U . . .
C1 C 0.2900(5) 0.3539(5) 0.4836(2) 0.024(2) Uani 1 1 d . . . . .
C10 C 0.0334(5) 0.2529(6) 0.5341(2) 0.030(3) Uani 1 1 d . . . . .
H10 H 0.008672 0.292839 0.536327 0.036 Uiso 1 1 calc R U . . .
C33 C 0.0730(5) 0.4262(6) 0.5173(2) 0.024(3) Uani 1 1 d . . . . .
C20 C 0.2846(6) 0.6049(6) 0.5872(2) 0.036(3) Uani 1 1 d . . . . .
H20 H 0.267617 0.641312 0.594862 0.043 Uiso 1 1 calc R U . . .
C21 C 0.3405(6) 0.5832(8) 0.5942(2) 0.042(4) Uani 1 1 d . . . . .
H21 H 0.362240 0.604774 0.606138 0.050 Uiso 1 1 calc R U . . .
C28 C 0.3503(7) 0.1055(8) 0.5408(3) 0.061(4) Uani 1 1 d . U . . .
H28 H 0.336411 0.093984 0.525758 0.074 Uiso 1 1 calc R U . . .
C27 C 0.3669(6) 0.1695(7) 0.5453(2) 0.035(3) Uani 1 1 d . U . . .
C36 C -0.0272(5) 0.4103(6) 0.4995(2) 0.028(3) Uani 1 1 d . . . . .
H36 H -0.050290 0.402909 0.485889 0.033 Uiso 1 1 calc R U . . .
C43 C 0.2702(5) 0.3641(6) 0.62251(19) 0.027(3) Uani 1 1 d . . . . .
C11 C 0.0315(5) 0.2157(6) 0.5575(2) 0.029(3) Uani 1 1 d . . . . .
C19 C 0.1712(6) 0.6547(6) 0.5705(2) 0.032(3) Uani 1 1 d . . . . .
H19A H 0.195514 0.691819 0.565642 0.047 Uiso 1 1 calc R U . . .
H19B H 0.172093 0.650981 0.587557 0.047 Uiso 1 1 calc R U . . .
H19C H 0.129780 0.660932 0.565312 0.047 Uiso 1 1 calc R U . . .
C42 C 0.2438(5) 0.4283(6) 0.61413(19) 0.022(2) Uani 1 1 d . . . . .
H42 H 0.277398 0.459229 0.611071 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4339(5) 0.4460(6) 0.4745(2) 0.023(3) Uani 1 1 d . . . . .
H3A H 0.435602 0.442440 0.457490 0.034 Uiso 1 1 calc R U . . .
H3B H 0.462951 0.416140 0.481497 0.034 Uiso 1 1 calc R U . . .
H3C H 0.443344 0.490498 0.479200 0.034 Uiso 1 1 calc R U . . .
C38 C -0.0199(5) 0.4265(6) 0.5416(2) 0.030(3) Uani 1 1 d . U . . .
H38 H -0.038227 0.430849 0.556410 0.036 Uiso 1 1 calc R U . . .
C47 C 0.3543(8) 0.2893(8) 0.6250(3) 0.051(4) Uani 1 1 d . . . . .
H47 H 0.395355 0.280306 0.622266 0.061 Uiso 1 1 calc R U . . .
C48 C 0.3296(7) 0.3490(7) 0.6180(2) 0.040(3) Uani 1 1 d . . . . .
H48 H 0.354051 0.379530 0.610138 0.048 Uiso 1 1 calc R U . . .
C35 C 0.0297(6) 0.4052(7) 0.4548(2) 0.038(3) Uani 1 1 d . . . . .
H35A H -0.000208 0.439935 0.453948 0.057 Uiso 1 1 calc R U . . .
H35B H 0.009342 0.363113 0.455196 0.057 Uiso 1 1 calc R U . . .
H35C H 0.055949 0.407331 0.441174 0.057 Uiso 1 1 calc R U . . .
C31 C 0.3895(11) 0.1362(10) 0.5853(3) 0.083(5) Uani 1 1 d . U . . .
H31 H 0.402861 0.146952 0.600516 0.099 Uiso 1 1 calc R U . . .
C15 C 0.0445(7) 0.1134(9) 0.5786(3) 0.061(5) Uani 1 1 d . . . . .
H15 H 0.054101 0.068542 0.578649 0.073 Uiso 1 1 calc R U . . .
C32 C 0.3879(9) 0.1842(8) 0.5675(3) 0.062(4) Uani 1 1 d . U . . .
H32 H 0.401342 0.226894 0.570852 0.075 Uiso 1 1 calc R U . . .
C12 C 0.0122(8) 0.2446(9) 0.5776(2) 0.057(4) Uani 1 1 d . . . . .
H12A H 0.000815 0.288913 0.577343 0.068 Uiso 1 1 calc R U . . .
C29 C 0.3539(8) 0.0570(9) 0.5585(4) 0.063(4) Uani 1 1 d . U . . .
H29 H 0.344147 0.013161 0.555183 0.076 Uiso 1 1 calc R U . . .
C14 C 0.0251(9) 0.1454(11) 0.6001(3) 0.070(6) Uani 1 1 d . . . . .
H14 H 0.024157 0.121925 0.614374 0.084 Uiso 1 1 calc R U . . .
C30 C 0.3719(10) 0.0756(11) 0.5804(4) 0.087(5) Uani 1 1 d . U . . .
H30 H 0.371968 0.044234 0.592512 0.104 Uiso 1 1 calc R U . . .
C13 C 0.0086(10) 0.2083(12) 0.5996(3) 0.078(6) Uani 1 1 d . . . . .
H13 H -0.005219 0.229009 0.613401 0.094 Uiso 1 1 calc R U . . .
C16 C 0.0488(6) 0.1495(7) 0.5581(2) 0.037(3) Uani 1 1 d . . . . .
H16 H 0.063591 0.129438 0.544380 0.044 Uiso 1 1 calc R U . . .
C6 C 0.2951(6) 0.2522(6) 0.4593(2) 0.032(3) Uani 1 1 d . . . . .
H6B H 0.276733 0.214326 0.453173 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3510(6) 0.2682(7) 0.4524(3) 0.040(3) Uani 1 1 d . . . . .
H5 H 0.372148 0.239813 0.442332 0.048 Uiso 1 1 calc R U . . .
C4 C 0.3792(6) 0.3270(6) 0.4599(2) 0.032(3) Uani 1 1 d . . . . .
H4A H 0.418265 0.337628 0.454634 0.039 Uiso 1 1 calc R U . . .
C18 C 0.2506(6) 0.5738(5) 0.5683(2) 0.027(3) Uani 1 1 d . . . . .
C22 C 0.3639(6) 0.5276(6) 0.5830(2) 0.029(3) Uani 1 1 d . . . . .
H22 H 0.402481 0.512325 0.587273 0.035 Uiso 1 1 calc R U . . .
C23 C 0.3313(5) 0.4942(6) 0.5655(2) 0.026(3) Uani 1 1 d . . . . .
C45 C 0.2563(7) 0.2587(7) 0.6415(2) 0.043(4) Uani 1 1 d . . . . .
H45 H 0.231838 0.228357 0.649524 0.052 Uiso 1 1 calc R U . . .
C44 C 0.2335(6) 0.3177(7) 0.6350(2) 0.030(3) Uani 1 1 d . . . . .
H44 H 0.193217 0.328207 0.638703 0.036 Uiso 1 1 calc R U . . .
Dy2 Dy 0.10839(2) 0.38852(3) 0.78642(2) 0.02127(13) Uani 1 1 d . . . . .
Na4 Na 0.0509(2) 0.4368(2) 0.72722(8) 0.0263(10) Uani 1 1 d . . . . .
Na3 Na 0.000000 0.2909(3) 0.750000 0.0284(15) Uani 1 2 d S T P . .
O19 O 0.1364(4) 0.4023(4) 0.70579(13) 0.0279(19) Uani 1 1 d . . . . .
O13 O 0.0129(4) 0.3374(4) 0.78738(15) 0.0290(18) Uani 1 1 d . . . . .
O22 O -0.0295(4) 0.2149(4) 0.77932(16) 0.034(2) Uani 1 1 d . . . . .
O14 O 0.1008(4) 0.3524(4) 0.74752(13) 0.0254(18) Uani 1 1 d . . . . .
O15 O 0.0490(3) 0.4730(4) 0.77062(13) 0.0215(17) Uani 1 1 d . . . . .
O16 O -0.0433(4) 0.5445(4) 0.78759(16) 0.0302(19) Uani 1 1 d . . . . .
O23 O 0.1491(4) 0.4766(4) 0.80987(15) 0.0260(18) Uani 1 1 d . . . . .
O17 O 0.2161(4) 0.3642(4) 0.78086(15) 0.034(2) Uani 1 1 d . . . . .
O21 O 0.1357(6) 0.1659(5) 0.84761(17) 0.061(3) Uani 1 1 d . . . . .
H21A H 0.151912 0.136641 0.837522 0.091 Uiso 1 1 d R U . . .
O20 O 0.1240(4) 0.3270(4) 0.82254(15) 0.031(2) Uani 1 1 d . . . . .
O24 O 0.1026(5) 0.5944(5) 0.85305(16) 0.046(3) Uani 1 1 d . . . . .
H24A H 0.072033 0.584961 0.860930 0.069 Uiso 1 1 d R U . . .
O18 O 0.3253(5) 0.3898(7) 0.7342(2) 0.078(4) Uani 1 1 d . . . . .
H18 H 0.313792 0.412987 0.721671 0.117 Uiso 1 1 d R U . . .
N12 N 0.0620(4) 0.4897(5) 0.83080(17) 0.025(2) Uani 1 1 d . . . . .
H12B H 0.039790 0.512673 0.840363 0.030 Uiso 1 1 calc R U . . .
N10 N 0.1255(5) 0.2292(5) 0.8044(2) 0.034(3) Uani 1 1 d . . . . .
H10A H 0.123882 0.186720 0.805134 0.041 Uiso 1 1 calc R U . . .
N9 N 0.1318(4) 0.2625(4) 0.78298(19) 0.026(2) Uani 1 1 d . . . . .
N7 N 0.1718(4) 0.4718(5) 0.76121(17) 0.026(2) Uani 1 1 d . . . . .
N8 N 0.2267(5) 0.4442(5) 0.75329(18) 0.032(3) Uani 1 1 d . . . . .
H8A H 0.247637 0.462133 0.742030 0.039 Uiso 1 1 calc R U . . .
N11 N 0.0424(4) 0.4310(5) 0.82170(18) 0.023(2) Uani 1 1 d . . . . .
C62 C 0.4446(7) 0.3751(9) 0.8078(3) 0.124(6) Uani 1 1 d G U . . .
H62 H 0.474888 0.377717 0.819380 0.149 Uiso 1 1 calc R U . . .
C61 C 0.4411(7) 0.3200(7) 0.7931(3) 0.110(5) Uani 1 1 d G U . . .
H61 H 0.469064 0.285621 0.794807 0.132 Uiso 1 1 calc R U . . .
C60 C 0.3959(7) 0.3161(6) 0.7757(3) 0.087(4) Uani 1 1 d G U . . .
H60 H 0.393527 0.279216 0.765899 0.105 Uiso 1 1 calc R U . . .
C59 C 0.3541(6) 0.3675(7) 0.7732(2) 0.066(4) Uani 1 1 d G U . . .
C64 C 0.3576(6) 0.4227(6) 0.7879(3) 0.092(5) Uani 1 1 d G U . . .
H64 H 0.329637 0.457002 0.786136 0.110 Uiso 1 1 calc R U . . .
C63 C 0.4028(8) 0.4265(7) 0.8052(3) 0.110(5) Uani 1 1 d G U . . .
H63 H 0.405174 0.463408 0.815045 0.132 Uiso 1 1 calc R U . . .
C74 C 0.1835(12) 0.3504(13) 0.9035(3) 0.088(8) Uani 1 1 d . . . . .
H74 H 0.199514 0.377510 0.915356 0.105 Uiso 1 1 calc R U . . .
C56 C 0.1644(6) 0.5332(6) 0.7575(2) 0.032(3) Uani 1 1 d . . . . .
H56 H 0.193950 0.556088 0.748935 0.038 Uiso 1 1 calc R U . . .
C86 C 0.1380(6) 0.5772(6) 0.8328(2) 0.028(3) Uani 1 1 d . . . . .
H86 H 0.129607 0.609572 0.820176 0.033 Uiso 1 1 calc R U . . .
C54 C 0.1171(7) 0.6394(6) 0.7682(2) 0.036(3) Uani 1 1 d . . . . .
H54 H 0.152867 0.659911 0.763172 0.043 Uiso 1 1 calc R U . . .
C85 C 0.1180(6) 0.5098(6) 0.8240(2) 0.026(3) Uani 1 1 d . . . . .
C96 C -0.0560(7) 0.1511(7) 0.7748(2) 0.045(4) Uani 1 1 d . . . . .
H96A H -0.056723 0.143076 0.757938 0.067 Uiso 1 1 calc R U . . .
H96B H -0.096991 0.150105 0.780893 0.067 Uiso 1 1 calc R U . . .
H96C H -0.032060 0.117576 0.782493 0.067 Uiso 1 1 calc R U . . .
C66 C 0.1403(5) 0.3189(6) 0.73502(19) 0.024(3) Uani 1 1 d . . . . .
C67 C 0.1662(6) 0.2573(6) 0.7423(2) 0.028(3) Uani 1 1 d . . . . .
C88 C 0.2476(7) 0.5780(7) 0.8187(3) 0.047(4) Uani 1 1 d . . . . .
H88 H 0.232994 0.580291 0.803136 0.057 Uiso 1 1 calc R U . . .
C68 C 0.1512(6) 0.2276(7) 0.7651(3) 0.036(3) Uani 1 1 d . . . . .
H68 H 0.155726 0.182126 0.766977 0.043 Uiso 1 1 calc R U . . .
C65 C 0.1587(5) 0.3419(6) 0.7123(2) 0.027(3) Uani 1 1 d . U . . .
C93 C -0.0578(6) 0.3037(7) 0.8448(2) 0.036(3) Uani 1 1 d . . . . .
H93 H -0.065219 0.325578 0.859112 0.043 Uiso 1 1 calc R U . . .
C53 C 0.0714(7) 0.6764(6) 0.7773(3) 0.040(3) Uani 1 1 d . . . . .
H53 H 0.076289 0.721788 0.779292 0.048 Uiso 1 1 calc R U . . .
C58 C 0.3043(6) 0.3580(8) 0.7560(3) 0.046(4) Uani 1 1 d . . . . .
H58 H 0.297904 0.310657 0.753196 0.055 Uiso 1 1 calc R U . . .
C50 C 0.0092(6) 0.5786(6) 0.7818(2) 0.029(3) Uani 1 1 d . . . . .
C49 C 0.0565(6) 0.5374(6) 0.7725(2) 0.024(3) Uani 1 1 d . . . . .
C84 C -0.0005(5) 0.4018(6) 0.8334(2) 0.030(3) Uani 1 1 d . . . . .
H84 H -0.017212 0.423600 0.846413 0.036 Uiso 1 1 calc R U . . .
C71 C 0.1377(7) 0.2727(8) 0.8678(3) 0.045(4) Uani 1 1 d . . . . .
C51 C -0.0955(6) 0.5859(7) 0.7959(2) 0.038(3) Uani 1 1 d . . . . .
H51A H -0.099401 0.624060 0.785860 0.056 Uiso 1 1 calc R U . . .
H51B H -0.088144 0.599919 0.812028 0.056 Uiso 1 1 calc R U . . .
H51C H -0.132487 0.560447 0.795316 0.056 Uiso 1 1 calc R U . . .
C83 C -0.0246(5) 0.3362(6) 0.8273(2) 0.025(3) Uani 1 1 d . . . . .
C80 C 0.1535(6) 0.4270(6) 0.6828(2) 0.028(3) Uani 1 1 d . . . . .
H80A H 0.151564 0.391768 0.671318 0.043 Uiso 1 1 calc R U . . .
H80B H 0.194484 0.444010 0.683423 0.043 Uiso 1 1 calc R U . . .
H80C H 0.126051 0.461754 0.678140 0.043 Uiso 1 1 calc R U . . .
C57 C 0.2448(5) 0.3901(7) 0.7638(2) 0.029(3) Uani 1 1 d . . . . .
C81 C -0.0396(6) 0.2415(6) 0.8013(3) 0.033(3) Uani 1 1 d . . . . .
C69 C 0.1222(6) 0.2665(6) 0.8236(2) 0.031(3) Uani 1 1 d . . . . .
C77 C 0.2097(7) 0.2227(7) 0.7280(3) 0.044(4) Uani 1 1 d . . . . .
H77 H 0.225326 0.182280 0.733002 0.053 Uiso 1 1 calc R U . . .
C55 C 0.1116(5) 0.5688(5) 0.7663(2) 0.022(2) Uani 1 1 d . . . . .
C92 C 0.2296(7) 0.5755(7) 0.8608(3) 0.049(4) Uani 1 1 d . . . . .
H92 H 0.203178 0.575959 0.873784 0.059 Uiso 1 1 calc R U . . .
C82 C -0.0142(5) 0.3070(6) 0.8049(2) 0.021(3) Uani 1 1 d . . . . .
C72 C 0.1044(9) 0.3278(9) 0.8764(3) 0.061(5) Uani 1 1 d . . . . .
H72 H 0.066477 0.338044 0.869954 0.073 Uiso 1 1 calc R U . . .
C78 C 0.2284(6) 0.2494(7) 0.7067(2) 0.039(3) Uani 1 1 d . . . . .
H78 H 0.256597 0.226809 0.697371 0.047 Uiso 1 1 calc R U . . .
C87 C 0.2071(6) 0.5776(6) 0.8378(2) 0.035(3) Uani 1 1 d . . . . .
C90 C 0.3304(9) 0.5739(8) 0.8457(3) 0.059(5) Uani 1 1 d . . . . .
H90 H 0.372305 0.573778 0.848491 0.070 Uiso 1 1 calc R U . . .
C89 C 0.3104(7) 0.5751(8) 0.8231(3) 0.052(4) Uani 1 1 d . . . . .
H89 H 0.337995 0.574003 0.810532 0.062 Uiso 1 1 calc R U . . .
C52 C 0.0173(7) 0.6459(7) 0.7834(3) 0.042(3) Uani 1 1 d . . . . .
H52 H -0.014972 0.671804 0.788844 0.050 Uiso 1 1 calc R U . . .
C79 C 0.2060(6) 0.3083(7) 0.6994(2) 0.037(3) Uani 1 1 d . . . . .
H79 H 0.221656 0.327538 0.685602 0.044 Uiso 1 1 calc R U . . .
C95 C -0.0680(7) 0.2104(7) 0.8200(3) 0.043(4) Uani 1 1 d . . . . .
H95 H -0.079915 0.166573 0.817979 0.051 Uiso 1 1 calc R U . . .
C91 C 0.2925(9) 0.5728(8) 0.8642(3) 0.063(5) Uani 1 1 d . . . . .
H91 H 0.308243 0.570218 0.879554 0.076 Uiso 1 1 calc R U . . .
C73 C 0.1283(9) 0.3662(10) 0.8945(3) 0.067(5) Uani 1 1 d . . . . .
H73 H 0.106662 0.402341 0.900304 0.081 Uiso 1 1 calc R U . . .
C75 C 0.2169(11) 0.2981(13) 0.8965(4) 0.089(8) Uani 1 1 d . . . . .
H75 H 0.253808 0.287553 0.903794 0.107 Uiso 1 1 calc R U . . .
C76 C 0.1942(8) 0.2614(9) 0.8782(3) 0.055(4) Uani 1 1 d . . . . .
H76 H 0.217889 0.226722 0.872401 0.066 Uiso 1 1 calc R U . . .
C94 C -0.0803(6) 0.2409(7) 0.8420(2) 0.040(3) Uani 1 1 d . . . . .
H94 H -0.102343 0.219648 0.853957 0.048 Uiso 1 1 calc R U . . .
C70 C 0.1131(6) 0.2313(6) 0.8472(2) 0.034(3) Uani 1 1 d . . . . .
H70 H 0.068868 0.228037 0.849621 0.041 Uiso 1 1 calc R U . . .
O25 O -0.0076(5) 0.1179(7) 0.4671(3) 0.092(4) Uani 1 1 d D U . . .
H25A H 0.017984 0.086468 0.468540 0.138 Uiso 0.5 1 d R U P A 2
H25B H -0.000016 0.149708 0.476240 0.138 Uiso 0.5 1 d R U P A 2
O26 O 0.0646(11) 0.1051(12) 0.4990(4) 0.071(7) Uani 0.5 1 d D U P B 1
O27 O 0.0612(13) 0.0338(16) 0.4711(6) 0.097(10) Uani 0.5 1 d . U P B 1
N13 N 0.0364(13) 0.0903(15) 0.4777(6) 0.069(9) Uiso 0.5 1 d D . P B 1
O28 O 0.0872(5) 0.5490(5) 0.60892(17) 0.046(3) Uani 1 1 d . . . . .
O29 O 0.0346(5) 0.5497(5) 0.64154(19) 0.057(3) Uani 1 1 d . . . . .
O30 O 0.0160(6) 0.4777(6) 0.61483(19) 0.063(3) Uani 1 1 d . . . . .
N14 N 0.0455(5) 0.5255(6) 0.6208(2) 0.035(3) Uani 1 1 d . . . . .
O31 O 0.2419(6) 0.0197(6) 0.7899(2) 0.076(4) Uani 1 1 d . . . . .
O32 O 0.1687(11) 0.0891(7) 0.7994(3) 0.144(9) Uani 1 1 d . . . . .
O33 O 0.1844(8) 0.0635(7) 0.7627(3) 0.090(5) Uani 1 1 d . . . . .
N15 N 0.2016(9) 0.0586(7) 0.7842(3) 0.087(6) 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 Na1 3.683(5) 3_566 ?
Dy1 Na1 3.687(4) . ?
Dy1 Na2 3.669(3) . ?
Dy1 O2 2.311(7) . ?
Dy1 O1 2.327(7) . ?
Dy1 O3 2.317(7) . ?
Dy1 O8 2.436(7) . ?
Dy1 O11 2.372(8) . ?
Dy1 O5 2.431(8) . ?
Dy1 N3 2.628(8) . ?
Dy1 N1 2.582(9) . ?
Dy1 N5 2.604(9) . ?
Na1 Na1 3.407(9) 3_566 ?
Na1 Na2 3.420(7) . ?
Na1 O10 2.333(8) 3_566 ?
Na1 O7 2.314(9) . ?
Na1 O2 2.299(8) . ?
Na1 O1 2.587(8) . ?
Na1 O1 2.298(9) 3_566 ?
Na1 O3 2.612(8) 3_566 ?
Na1 C17 3.103(11) . ?
Na1 C33 3.111(12) 3_566 ?
Na2 O4 2.320(8) . ?
Na2 O4 2.320(9) 3_566 ?
Na2 O2 2.589(8) 3_566 ?
Na2 O2 2.589(8) . ?
Na2 O3 2.291(8) . ?
Na2 O3 2.290(8) 3_566 ?
Na2 C1 3.103(11) 3_566 ?
Na2 C1 3.103(11) . ?
O10 C34 1.375(13) . ?
O10 C35 1.410(14) . ?
O4 C2 1.390(14) . ?
O4 C3 1.457(12) . ?
O7 C19 1.420(13) . ?
O7 C18 1.370(15) . ?
O2 C17 1.343(12) . ?
O1 C33 1.327(13) . ?
O3 C1 1.338(13) . ?
O8 C25 1.267(14) . ?
O11 C41 1.247(13) . ?
O12 H12 0.8756 . ?
O12 C42 1.403(14) . ?
O9 H9 0.8200 . ?
O9 C26 1.464(16) . ?
O6 H6 0.8200 . ?
O6 C10 1.386(15) . ?
O5 C9 1.268(13) . ?
N3 N4 1.341(12) . ?
N3 C24 1.280(15) . ?
N6 H6A 0.8600 . ?
N6 N5 1.387(12) . ?
N6 C41 1.307(14) . ?
N4 H4 0.8600 . ?
N4 C25 1.321(15) . ?
N2 H2 0.8600 . ?
N2 N1 1.391(13) . ?
N2 C9 1.321(14) . ?
N1 C8 1.270(14) . ?
N5 C40 1.307(14) . ?
C40 H40 0.9300 . ?
C40 C39 1.434(16) . ?
C39 C33 1.423(16) . ?
C39 C38 1.393(16) . ?
C24 H24 0.9300 . ?
C24 C23 1.461(17) . ?
C26 H26 0.9800 . ?
C26 C25 1.546(17) . ?
C26 C27 1.504(17) . ?
C8 H8 0.9300 . ?
C8 C7 1.431(17) . ?
C7 C1 1.444(17) . ?
C7 C6 1.430(17) . ?
C17 C18 1.397(16) . ?
C17 C23 1.404(16) . ?
C37 H37 0.9300 . ?
C37 C36 1.388(18) . ?
C37 C38 1.421(18) . ?
C2 C1 1.401(16) . ?
C2 C4 1.375(16) . ?
C9 C10 1.528(16) . ?
C41 C42 1.536(15) . ?
C34 C33 1.404(16) . ?
C34 C36 1.381(15) . ?
C46 H46 0.9300 . ?
C46 C47 1.38(2) . ?
C46 C45 1.42(2) . ?
C10 H10 0.9800 . ?
C10 C11 1.513(18) . ?
C20 H20 0.9300 . ?
C20 C21 1.358(19) . ?
C20 C18 1.440(17) . ?
C21 H21 0.9300 . ?
C21 C22 1.385(19) . ?
C28 H28 0.9300 . ?
C28 C27 1.37(2) . ?
C28 C29 1.39(2) . ?
C27 C32 1.36(2) . ?
C36 H36 0.9300 . ?
C43 C42 1.495(16) . ?
C43 C48 1.358(18) . ?
C43 C44 1.420(17) . ?
C11 C12 1.338(19) . ?
C11 C16 1.392(19) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C42 H42 0.9800 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C38 H38 0.9300 . ?
C47 H47 0.9300 . ?
C47 C48 1.38(2) . ?
C48 H48 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C32 1.39(2) . ?
C31 C30 1.31(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.43(3) . ?
C15 C16 1.37(2) . ?
C32 H32 0.9300 . ?
C12 H12A 0.9300 . ?
C12 C13 1.44(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.34(3) . ?
C14 H14 0.9300 . ?
C14 C13 1.32(3) . ?
C30 H30 0.9300 . ?
C13 H13 0.9300 . ?
C16 H16 0.9300 . ?
C6 H6B 0.9300 . ?
C6 C5 1.321(18) . ?
C5 H5 0.9300 . ?
C5 C4 1.403(18) . ?
C4 H4A 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.390(17) . ?
C45 H45 0.9300 . ?
C45 C44 1.342(19) . ?
C44 H44 0.9300 . ?
Dy2 Na4 3.686(5) . ?
Dy2 Na4 3.700(5) 4_556 ?
Dy2 Na3 3.701(4) . ?
Dy2 O13 2.330(8) . ?
Dy2 O14 2.309(8) . ?
Dy2 O15 2.322(8) . ?
Dy2 O23 2.386(8) . ?
Dy2 O17 2.427(9) . ?
Dy2 O20 2.403(8) . ?
Dy2 N9 2.604(9) . ?
Dy2 N7 2.599(10) . ?
Dy2 N11 2.598(9) . ?
Na4 Na4 3.393(9) 4_556 ?
Na4 Na3 3.402(7) . ?
Na4 O19 2.330(9) . ?
Na4 O13 2.581(9) 4_556 ?
Na4 O14 2.324(9) . ?
Na4 O15 2.545(9) . ?
Na4 O15 2.308(9) 4_556 ?
Na4 O16 2.335(9) 4_556 ?
Na4 C66 3.114(13) . ?
Na4 C49 3.108(13) 4_556 ?
Na3 O13 2.318(9) 4_556 ?
Na3 O13 2.317(9) . ?
Na3 O22 2.341(9) 4_556 ?
Na3 O22 2.341(10) . ?
Na3 O14 2.536(9) . ?
Na3 O14 2.536(9) 4_556 ?
Na3 C82 3.115(12) . ?
Na3 C82 3.115(12) 4_556 ?
O19 C65 1.365(14) . ?
O19 C80 1.436(13) . ?
O13 C82 1.302(13) . ?
O22 C96 1.437(15) . ?
O22 C81 1.362(17) . ?
O14 C66 1.303(14) . ?
O15 C49 1.316(14) . ?
O16 C50 1.379(15) . ?
O16 C51 1.490(13) . ?
O23 C85 1.243(14) . ?
O17 C57 1.262(14) . ?
O21 H21A 0.8926 . ?
O21 C70 1.410(16) . ?
O20 C69 1.225(15) . ?
O24 H24A 0.8237 . ?
O24 C86 1.421(15) . ?
O18 H18 0.8816 . ?
O18 C58 1.457(18) . ?
N12 H12B 0.8600 . ?
N12 N11 1.361(13) . ?
N12 C85 1.346(16) . ?
N10 H10A 0.8600 . ?
N10 N9 1.386(14) . ?
N10 C69 1.315(17) . ?
N9 C68 1.298(17) . ?
N7 N8 1.398(14) . ?
N7 C56 1.267(16) . ?
N8 H8A 0.8600 . ?
N8 C57 1.303(16) . ?
N11 C84 1.287(15) . ?
C62 H62 0.9300 . ?
C62 C61 1.3900 . ?
C62 C63 1.3900 . ?
C61 H61 0.9300 . ?
C61 C60 1.3900 . ?
C60 H60 0.9300 . ?
C60 C59 1.3900 . ?
C59 C64 1.3900 . ?
C59 C58 1.466(18) . ?
C64 H64 0.9300 . ?
C64 C63 1.3900 . ?
C63 H63 0.9300 . ?
C74 H74 0.9300 . ?
C74 C73 1.35(3) . ?
C74 C75 1.34(3) . ?
C56 H56 0.9300 . ?
C56 C55 1.448(17) . ?
C86 H86 0.9800 . ?
C86 C85 1.512(16) . ?
C86 C87 1.538(19) . ?
C54 H54 0.9300 . ?
C54 C53 1.348(19) . ?
C54 C55 1.435(16) . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C66 C67 1.427(17) . ?
C66 C65 1.415(17) . ?
C67 C68 1.451(18) . ?
C67 C77 1.430(17) . ?
C88 H88 0.9300 . ?
C88 C87 1.39(2) . ?
C88 C89 1.40(2) . ?
C68 H68 0.9300 . ?
C65 C79 1.436(18) . ?
C93 H93 0.9300 . ?
C93 C83 1.388(16) . ?
C93 C94 1.37(2) . ?
C53 H53 0.9300 . ?
C53 C52 1.38(2) . ?
C58 H58 0.9800 . ?
C58 C57 1.518(17) . ?
C50 C49 1.427(17) . ?
C50 C52 1.373(17) . ?
C49 C55 1.404(17) . ?
C84 H84 0.9300 . ?
C84 C83 1.466(17) . ?
C71 C72 1.42(2) . ?
C71 C76 1.39(2) . ?
C71 C70 1.52(2) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C83 C82 1.409(17) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 C82 1.450(17) . ?
C81 C95 1.37(2) . ?
C69 C70 1.519(16) . ?
C77 H77 0.9300 . ?
C77 C78 1.369(19) . ?
C92 H92 0.9300 . ?
C92 C87 1.38(2) . ?
C92 C91 1.39(2) . ?
C72 H72 0.9300 . ?
C72 C73 1.38(2) . ?
C78 H78 0.9300 . ?
C78 C79 1.353(19) . ?
C90 H90 0.9300 . ?
C90 C89 1.34(2) . ?
C90 C91 1.33(3) . ?
C89 H89 0.9300 . ?
C52 H52 0.9300 . ?
C79 H79 0.9300 . ?
C95 H95 0.9300 . ?
C95 C94 1.41(2) . ?
C91 H91 0.9300 . ?
C73 H73 0.9300 . ?
C75 H75 0.9300 . ?
C75 C76 1.36(3) . ?
C76 H76 0.9300 . ?
C94 H94 0.9300 . ?
C70 H70 0.9800 . ?
O25 H25A 0.8503 . ?
O25 H25B 0.8386 . ?
O25 N13 1.26(2) . ?
O26 N13 1.38(4) . ?
O27 N13 1.32(4) . ?
O28 N14 1.223(13) . ?
O29 N14 1.287(15) . ?
O30 N14 1.210(15) . ?
O31 N15 1.22(2) . ?
O32 N15 1.278(19) . ?
O33 N15 1.27(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
Na1 Dy1 Na1 55.06(12) 3_566 . ?
Na2 Dy1 Na1 55.41(9) . . ?
Na2 Dy1 Na1 55.44(9) . 3_566 ?
O2 Dy1 Na1 36.77(19) . . ?
O2 Dy1 Na1 80.72(18) . 3_566 ?
O2 Dy1 Na2 44.48(18) . . ?
O2 Dy1 O1 80.8(2) . . ?
O2 Dy1 O3 81.3(3) . . ?
O2 Dy1 O8 129.3(3) . . ?
O2 Dy1 O11 80.6(3) . . ?
O2 Dy1 O5 140.9(3) . . ?
O2 Dy1 N3 67.3(3) . . ?
O2 Dy1 N1 142.1(3) . . ?
O2 Dy1 N5 73.7(3) . . ?
O1 Dy1 Na1 36.94(19) . 3_566 ?
O1 Dy1 Na1 44.13(19) . . ?
O1 Dy1 Na2 81.07(19) . . ?
O1 Dy1 O8 142.6(3) . . ?
O1 Dy1 O11 129.3(3) . . ?
O1 Dy1 O5 81.2(3) . . ?
O1 Dy1 N3 141.7(3) . . ?
O1 Dy1 N1 74.2(3) . . ?
O1 Dy1 N5 67.9(3) . . ?
O3 Dy1 Na1 44.80(19) . 3_566 ?
O3 Dy1 Na1 81.10(19) . . ?
O3 Dy1 Na2 36.97(18) . . ?
O3 Dy1 O1 81.6(3) . . ?
O3 Dy1 O8 82.1(3) . . ?
O3 Dy1 O11 140.4(3) . . ?
O3 Dy1 O5 129.5(3) . . ?
O3 Dy1 N3 73.4(3) . . ?
O3 Dy1 N1 67.4(3) . . ?
O3 Dy1 N5 142.9(3) . . ?
O8 Dy1 Na1 117.1(2) . 3_566 ?
O8 Dy1 Na1 160.00(19) . . ?
O8 Dy1 Na2 104.64(19) . . ?
O8 Dy1 N3 62.1(3) . . ?
O8 Dy1 N1 68.4(3) . . ?
O8 Dy1 N5 135.0(3) . . ?
O11 Dy1 Na1 103.8(2) . . ?
O11 Dy1 Na1 158.9(2) . 3_566 ?
O11 Dy1 Na2 114.79(19) . . ?
O11 Dy1 O8 82.7(3) . . ?
O11 Dy1 O5 84.5(3) . . ?
O11 Dy1 N3 67.1(2) . . ?
O11 Dy1 N1 137.3(3) . . ?
O11 Dy1 N5 61.7(3) . . ?
O5 Dy1 Na1 115.53(19) . . ?
O5 Dy1 Na1 104.1(2) . 3_566 ?
O5 Dy1 Na2 159.6(2) . . ?
O5 Dy1 O8 83.7(2) . . ?
O5 Dy1 N3 137.1(3) . . ?
O5 Dy1 N1 62.3(3) . . ?
O5 Dy1 N5 67.4(3) . . ?
N3 Dy1 Na1 102.5(2) . . ?
N3 Dy1 Na1 114.0(2) . 3_566 ?
N3 Dy1 Na2 61.5(2) . . ?
N1 Dy1 Na1 114.2(2) . . ?
N1 Dy1 Na1 62.2(2) . 3_566 ?
N1 Dy1 Na2 102.9(2) . . ?
N1 Dy1 N3 119.6(3) . . ?
N1 Dy1 N5 120.1(3) . . ?
N5 Dy1 Na1 62.5(2) . . ?
N5 Dy1 Na1 103.3(2) . 3_566 ?
N5 Dy1 Na2 114.5(2) . . ?
N5 Dy1 N3 119.0(3) . . ?
Dy1 Na1 Dy1 114.92(11) 3_566 . ?
Na1 Na1 Dy1 62.40(13) 3_566 . ?
Na1 Na1 Dy1 62.53(13) 3_566 3_566 ?
Na1 Na1 Na2 60.13(9) 3_566 . ?
Na2 Na1 Dy1 62.02(7) . . ?
Na2 Na1 Dy1 62.07(8) . 3_566 ?
O10 Na1 Dy1 122.9(3) 3_566 . ?
O10 Na1 Dy1 99.4(2) 3_566 3_566 ?
O10 Na1 Na1 101.3(2) 3_566 3_566 ?
O10 Na1 Na2 157.7(3) 3_566 . ?
O10 Na1 O1 90.7(3) 3_566 . ?
O10 Na1 O3 129.8(3) 3_566 3_566 ?
O10 Na1 C17 141.9(3) 3_566 . ?
O10 Na1 C33 48.8(3) 3_566 3_566 ?
O7 Na1 Dy1 124.7(2) . 3_566 ?
O7 Na1 Dy1 98.1(2) . . ?
O7 Na1 Na1 158.2(3) . 3_566 ?
O7 Na1 Na2 103.2(2) . . ?
O7 Na1 O10 97.6(3) . 3_566 ?
O7 Na1 O1 127.4(3) . . ?
O7 Na1 O3 92.9(3) . 3_566 ?
O7 Na1 C17 49.0(3) . . ?
O7 Na1 C33 141.3(3) . 3_566 ?
O2 Na1 Dy1 110.9(2) . 3_566 ?
O2 Na1 Dy1 37.00(18) . . ?
O2 Na1 Na1 87.3(2) . 3_566 ?
O2 Na1 Na2 49.2(2) . . ?
O2 Na1 O10 149.0(3) . 3_566 ?
O2 Na1 O7 70.9(3) . . ?
O2 Na1 O1 75.7(3) . . ?
O2 Na1 O3 80.5(3) . 3_566 ?
O2 Na1 C17 23.2(3) . . ?
O2 Na1 C33 147.7(3) . 3_566 ?
O1 Na1 Dy1 111.5(2) 3_566 . ?
O1 Na1 Dy1 37.5(2) 3_566 3_566 ?
O1 Na1 Dy1 104.7(2) . 3_566 ?
O1 Na1 Dy1 38.78(18) . . ?
O1 Na1 Na1 49.4(2) 3_566 3_566 ?
O1 Na1 Na1 42.38(19) . 3_566 ?
O1 Na1 Na2 87.3(2) 3_566 . ?
O1 Na1 Na2 83.0(2) . . ?
O1 Na1 O10 70.6(3) 3_566 3_566 ?
O1 Na1 O7 150.0(3) 3_566 . ?
O1 Na1 O2 132.3(3) 3_566 . ?
O1 Na1 O1 81.4(3) 3_566 . ?
O1 Na1 O3 120.3(3) . 3_566 ?
O1 Na1 O3 76.1(3) 3_566 3_566 ?
O1 Na1 C17 147.4(3) 3_566 . ?
O1 Na1 C17 97.0(3) . . ?
O1 Na1 C33 78.3(3) . 3_566 ?
O1 Na1 C33 22.6(3) 3_566 3_566 ?
O3 Na1 Dy1 103.7(2) 3_566 . ?
O3 Na1 Dy1 38.70(16) 3_566 3_566 ?
O3 Na1 Na1 83.2(2) 3_566 3_566 ?
O3 Na1 Na2 42.02(17) 3_566 . ?
O3 Na1 C17 76.9(3) 3_566 . ?
O3 Na1 C33 96.7(3) 3_566 3_566 ?
C17 Na1 Dy1 114.4(2) . 3_566 ?
C17 Na1 Dy1 58.5(2) . . ?
C17 Na1 Na1 109.5(2) . 3_566 ?
C17 Na1 Na2 60.3(2) . . ?
C17 Na1 C33 169.0(3) . 3_566 ?
C33 Na1 Dy1 58.2(2) 3_566 3_566 ?
C33 Na1 Dy1 115.6(2) 3_566 . ?
C33 Na1 Na1 60.4(2) 3_566 3_566 ?
C33 Na1 Na2 108.9(3) 3_566 . ?
Dy1 Na2 Dy1 115.71(16) 3_566 . ?
Na1 Na2 Dy1 62.49(11) 3_566 . ?
Na1 Na2 Dy1 62.57(11) . . ?
Na1 Na2 Dy1 62.48(11) . 3_566 ?
Na1 Na2 Dy1 62.57(11) 3_566 3_566 ?
Na1 Na2 Na1 59.75(18) . 3_566 ?
O4 Na2 Dy1 99.4(2) . . ?
O4 Na2 Dy1 99.4(2) 3_566 3_566 ?
O4 Na2 Dy1 122.9(2) 3_566 . ?
O4 Na2 Dy1 122.9(2) . 3_566 ?
O4 Na2 Na1 102.8(2) . 3_566 ?
O4 Na2 Na1 158.7(2) 3_566 3_566 ?
O4 Na2 Na1 158.7(2) . . ?
O4 Na2 Na1 102.8(2) 3_566 . ?
O4 Na2 O4 96.6(4) 3_566 . ?
O4 Na2 O2 91.7(2) . 3_566 ?
O4 Na2 O2 129.5(3) . . ?
O4 Na2 O2 91.7(2) 3_566 . ?
O4 Na2 O2 129.5(3) 3_566 3_566 ?
O4 Na2 C1 140.3(4) 3_566 . ?
O4 Na2 C1 49.0(3) 3_566 3_566 ?
O4 Na2 C1 140.3(4) . 3_566 ?
O4 Na2 C1 49.0(3) . . ?
O2 Na2 Dy1 104.4(2) 3_566 . ?
O2 Na2 Dy1 38.72(16) 3_566 3_566 ?
O2 Na2 Dy1 104.4(2) . 3_566 ?
O2 Na2 Dy1 38.72(16) . . ?
O2 Na2 Na1 82.7(2) 3_566 . ?
O2 Na2 Na1 42.22(19) . . ?
O2 Na2 Na1 42.22(19) 3_566 3_566 ?
O2 Na2 Na1 82.7(2) . 3_566 ?
O2 Na2 O2 120.0(4) . 3_566 ?
O2 Na2 C1 77.9(3) 3_566 . ?
O2 Na2 C1 77.9(3) . 3_566 ?
O2 Na2 C1 97.2(3) . . ?
O2 Na2 C1 97.2(3) 3_566 3_566 ?
O3 Na2 Dy1 111.9(2) 3_566 . ?
O3 Na2 Dy1 37.48(18) . . ?
O3 Na2 Dy1 111.9(2) . 3_566 ?
O3 Na2 Dy1 37.48(18) 3_566 3_566 ?
O3 Na2 Na1 49.8(2) . 3_566 ?
O3 Na2 Na1 87.7(2) . . ?
O3 Na2 Na1 87.7(2) 3_566 3_566 ?
O3 Na2 Na1 49.8(2) 3_566 . ?
O3 Na2 O4 71.1(3) 3_566 3_566 ?
O3 Na2 O4 148.2(3) . 3_566 ?
O3 Na2 O4 71.1(3) . . ?
O3 Na2 O4 148.2(3) 3_566 . ?
O3 Na2 O2 76.1(2) . . ?
O3 Na2 O2 81.1(3) . 3_566 ?
O3 Na2 O2 76.1(2) 3_566 3_566 ?
O3 Na2 O2 81.1(3) 3_566 . ?
O3 Na2 O3 133.4(4) 3_566 . ?
O3 Na2 C1 23.0(3) . . ?
O3 Na2 C1 148.6(3) 3_566 . ?
O3 Na2 C1 23.0(3) 3_566 3_566 ?
O3 Na2 C1 148.6(3) . 3_566 ?
C1 Na2 Dy1 115.5(2) 3_566 . ?
C1 Na2 Dy1 115.5(2) . 3_566 ?
C1 Na2 Dy1 58.6(2) 3_566 3_566 ?
C1 Na2 Dy1 58.6(2) . . ?
C1 Na2 Na1 109.7(3) 3_566 3_566 ?
C1 Na2 Na1 61.0(2) 3_566 . ?
C1 Na2 Na1 109.7(3) . . ?
C1 Na2 Na1 61.0(2) . 3_566 ?
C1 Na2 C1 170.2(5) . 3_566 ?
C34 O10 Na1 114.8(6) . 3_566 ?
C34 O10 C35 119.0(8) . . ?
C35 O10 Na1 124.3(7) . 3_566 ?
C2 O4 Na2 114.7(6) . . ?
C2 O4 C3 117.1(8) . . ?
C3 O4 Na2 126.7(7) . . ?
C19 O7 Na1 125.3(7) . . ?
C18 O7 Na1 114.1(7) . . ?
C18 O7 C19 117.6(9) . . ?
Dy1 O2 Na2 96.8(2) . . ?
Na1 O2 Dy1 106.2(3) . . ?
Na1 O2 Na2 88.6(3) . . ?
C17 O2 Dy1 131.5(6) . . ?
C17 O2 Na1 114.3(6) . . ?
C17 O2 Na2 109.5(6) . . ?
Dy1 O1 Na1 97.1(3) . . ?
Na1 O1 Dy1 105.6(3) 3_566 . ?
Na1 O1 Na1 88.2(3) 3_566 . ?
C33 O1 Dy1 130.3(7) . . ?
C33 O1 Na1 110.3(7) . . ?
C33 O1 Na1 115.7(7) . 3_566 ?
Dy1 O3 Na1 96.5(3) . 3_566 ?
Na2 O3 Dy1 105.5(3) . . ?
Na2 O3 Na1 88.2(3) . 3_566 ?
C1 O3 Dy1 131.1(6) . . ?
C1 O3 Na1 110.4(7) . 3_566 ?
C1 O3 Na2 115.0(6) . . ?
C25 O8 Dy1 120.4(7) . . ?
C41 O11 Dy1 123.2(7) . . ?
C42 O12 H12 142.4 . . ?
C26 O9 H9 109.5 . . ?
C10 O6 H6 109.5 . . ?
C9 O5 Dy1 121.2(7) . . ?
N4 N3 Dy1 112.8(6) . . ?
C24 N3 Dy1 130.0(7) . . ?
C24 N3 N4 116.7(9) . . ?
N5 N6 H6A 122.6 . . ?
C41 N6 H6A 122.6 . . ?
C41 N6 N5 114.8(9) . . ?
N3 N4 H4 121.3 . . ?
C25 N4 N3 117.3(9) . . ?
C25 N4 H4 121.3 . . ?
N1 N2 H2 121.6 . . ?
C9 N2 H2 121.6 . . ?
C9 N2 N1 116.7(9) . . ?
N2 N1 Dy1 113.3(7) . . ?
C8 N1 Dy1 131.3(8) . . ?
C8 N1 N2 114.9(9) . . ?
N6 N5 Dy1 113.1(6) . . ?
C40 N5 Dy1 130.8(8) . . ?
C40 N5 N6 115.8(10) . . ?
N5 C40 H40 118.7 . . ?
N5 C40 C39 122.7(11) . . ?
C39 C40 H40 118.7 . . ?
C33 C39 C40 123.0(10) . . ?
C38 C39 C40 116.5(11) . . ?
C38 C39 C33 120.5(11) . . ?
N3 C24 H24 117.7 . . ?
N3 C24 C23 124.6(11) . . ?
C23 C24 H24 117.7 . . ?
O9 C26 H26 109.8 . . ?
O9 C26 C25 107.3(10) . . ?
O9 C26 C27 108.7(11) . . ?
C25 C26 H26 109.8 . . ?
C27 C26 H26 109.8 . . ?
C27 C26 C25 111.5(10) . . ?
O8 C25 N4 122.3(11) . . ?
O8 C25 C26 118.6(11) . . ?
N4 C25 C26 119.1(10) . . ?
N1 C8 H8 117.5 . . ?
N1 C8 C7 124.9(10) . . ?
C7 C8 H8 117.5 . . ?
C8 C7 C1 121.2(10) . . ?
C6 C7 C8 120.2(11) . . ?
C6 C7 C1 118.6(11) . . ?
O2 C17 Na1 42.5(5) . . ?
O2 C17 C18 119.4(10) . . ?
O2 C17 C23 123.2(10) . . ?
C18 C17 Na1 78.3(7) . . ?
C18 C17 C23 117.4(10) . . ?
C23 C17 Na1 161.5(8) . . ?
C36 C37 H37 121.8 . . ?
C36 C37 C38 116.4(10) . . ?
C38 C37 H37 121.8 . . ?
O4 C2 C1 115.5(10) . . ?
C4 C2 O4 123.0(10) . . ?
C4 C2 C1 121.6(11) . . ?
O5 C9 N2 120.7(10) . . ?
O5 C9 C10 121.1(10) . . ?
N2 C9 C10 118.0(10) . . ?
O11 C41 N6 122.1(10) . . ?
O11 C41 C42 119.1(10) . . ?
N6 C41 C42 118.7(9) . . ?
O10 C34 C33 116.0(9) . . ?
O10 C34 C36 122.6(10) . . ?
C36 C34 C33 121.5(11) . . ?
C47 C46 H46 120.1 . . ?
C47 C46 C45 119.7(14) . . ?
C45 C46 H46 120.1 . . ?
O3 C1 Na2 42.0(5) . . ?
O3 C1 C7 121.9(10) . . ?
O3 C1 C2 120.5(10) . . ?
C7 C1 Na2 160.4(8) . . ?
C2 C1 Na2 79.5(7) . . ?
C2 C1 C7 117.6(10) . . ?
O6 C10 C9 110.7(10) . . ?
O6 C10 H10 106.6 . . ?
O6 C10 C11 115.7(10) . . ?
C9 C10 H10 106.6 . . ?
C11 C10 C9 110.3(10) . . ?
C11 C10 H10 106.6 . . ?
O1 C33 Na1 41.7(5) . 3_566 ?
O1 C33 C39 122.7(11) . . ?
O1 C33 C34 120.2(11) . . ?
C39 C33 Na1 161.0(8) . 3_566 ?
C34 C33 Na1 79.3(7) . 3_566 ?
C34 C33 C39 117.0(10) . . ?
C21 C20 H20 118.7 . . ?
C21 C20 C18 122.6(12) . . ?
C18 C20 H20 118.7 . . ?
C20 C21 H21 121.2 . . ?
C20 C21 C22 117.6(12) . . ?
C22 C21 H21 121.2 . . ?
C27 C28 H28 119.4 . . ?
C27 C28 C29 121.3(18) . . ?
C29 C28 H28 119.4 . . ?
C28 C27 C26 120.3(14) . . ?
C32 C27 C26 121.7(14) . . ?
C32 C27 C28 117.7(14) . . ?
C37 C36 H36 118.6 . . ?
C34 C36 C37 122.8(11) . . ?
C34 C36 H36 118.6 . . ?
C48 C43 C42 120.4(12) . . ?
C48 C43 C44 118.9(12) . . ?
C44 C43 C42 120.7(11) . . ?
C12 C11 C10 121.6(13) . . ?
C12 C11 C16 119.0(14) . . ?
C16 C11 C10 119.4(12) . . ?
O7 C19 H19A 109.5 . . ?
O7 C19 H19B 109.5 . . ?
O7 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O12 C42 C41 107.9(9) . . ?
O12 C42 C43 116.1(10) . . ?
O12 C42 H42 108.5 . . ?
C41 C42 H42 108.5 . . ?
C43 C42 C41 107.0(9) . . ?
C43 C42 H42 108.5 . . ?
O4 C3 H3A 109.5 . . ?
O4 C3 H3B 109.5 . . ?
O4 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C39 C38 C37 121.8(12) . . ?
C39 C38 H38 119.1 . . ?
C37 C38 H38 119.1 . . ?
C46 C47 H47 120.2 . . ?
C46 C47 C48 119.7(15) . . ?
C48 C47 H47 120.2 . . ?
C43 C48 C47 121.3(15) . . ?
C43 C48 H48 119.3 . . ?
C47 C48 H48 119.3 . . ?
O10 C35 H35A 109.5 . . ?
O10 C35 H35B 109.5 . . ?
O10 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C30 C31 C32 120(2) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C16 C15 C14 119.3(17) . . ?
C27 C32 C31 120.8(18) . . ?
C27 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C11 C12 H12A 119.4 . . ?
C11 C12 C13 121.3(17) . . ?
C13 C12 H12A 119.4 . . ?
C28 C29 H29 121.0 . . ?
C30 C29 C28 118.0(19) . . ?
C30 C29 H29 121.0 . . ?
C15 C14 H14 120.1 . . ?
C13 C14 C15 119.8(17) . . ?
C13 C14 H14 120.1 . . ?
C31 C30 C29 123(2) . . ?
C31 C30 H30 118.7 . . ?
C29 C30 H30 118.7 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.5(19) . . ?
C14 C13 H13 120.2 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 121.0(15) . . ?
C15 C16 H16 119.5 . . ?
C7 C6 H6B 119.6 . . ?
C5 C6 C7 120.7(12) . . ?
C5 C6 H6B 119.6 . . ?
C6 C5 H5 119.1 . . ?
C6 C5 C4 121.8(12) . . ?
C4 C5 H5 119.1 . . ?
C2 C4 C5 119.5(12) . . ?
C2 C4 H4A 120.2 . . ?
C5 C4 H4A 120.2 . . ?
O7 C18 C17 116.9(10) . . ?
O7 C18 C20 124.0(11) . . ?
C17 C18 C20 119.1(11) . . ?
C21 C22 H22 119.2 . . ?
C21 C22 C23 121.7(12) . . ?
C23 C22 H22 119.2 . . ?
C17 C23 C24 121.3(10) . . ?
C22 C23 C24 117.1(11) . . ?
C22 C23 C17 121.5(11) . . ?
C46 C45 H45 120.2 . . ?
C44 C45 C46 119.5(14) . . ?
C44 C45 H45 120.2 . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.8(13) . . ?
C45 C44 H44 119.6 . . ?
Na4 Dy2 Na4 54.70(13) . 4_556 ?
Na4 Dy2 Na3 54.74(10) 4_556 . ?
Na4 Dy2 Na3 54.85(10) . . ?
O13 Dy2 Na4 80.4(2) . . ?
O13 Dy2 Na4 43.7(2) . 4_556 ?
O13 Dy2 Na3 37.1(2) . . ?
O13 Dy2 O23 130.7(3) . . ?
O13 Dy2 O17 141.5(3) . . ?
O13 Dy2 O20 83.0(3) . . ?
O13 Dy2 N9 75.2(3) . . ?
O13 Dy2 N7 141.0(3) . . ?
O13 Dy2 N11 68.3(3) . . ?
O14 Dy2 Na4 37.4(2) . . ?
O14 Dy2 Na4 79.6(2) . 4_556 ?
O14 Dy2 Na3 42.5(2) . . ?
O14 Dy2 O13 79.5(3) . . ?
O14 Dy2 O15 80.3(3) . . ?
O14 Dy2 O23 141.7(3) . . ?
O14 Dy2 O17 83.3(3) . . ?
O14 Dy2 O20 130.2(3) . . ?
O14 Dy2 N9 68.6(3) . . ?
O14 Dy2 N7 74.2(3) . . ?
O14 Dy2 N11 141.8(3) . . ?
O15 Dy2 Na4 36.8(2) . 4_556 ?
O15 Dy2 Na4 43.1(2) . . ?
O15 Dy2 Na3 79.8(2) . . ?
O15 Dy2 O13 80.4(3) . . ?
O15 Dy2 O23 82.6(3) . . ?
O15 Dy2 O17 130.0(3) . . ?
O15 Dy2 O20 141.5(3) . . ?
O15 Dy2 N9 143.2(3) . . ?
O15 Dy2 N7 67.3(3) . . ?
O15 Dy2 N11 74.8(3) . . ?
O23 Dy2 Na4 105.6(2) . 4_556 ?
O23 Dy2 Na4 115.3(2) . . ?
O23 Dy2 Na3 160.3(2) . . ?
O23 Dy2 O17 82.0(3) . . ?
O23 Dy2 O20 82.4(3) . . ?
O23 Dy2 N9 134.2(3) . . ?
O23 Dy2 N7 67.6(3) . . ?
O23 Dy2 N11 62.6(3) . . ?
O17 Dy2 Na4 160.3(2) . 4_556 ?
O17 Dy2 Na4 105.6(2) . . ?
O17 Dy2 Na3 116.3(2) . . ?
O17 Dy2 N9 66.5(3) . . ?
O17 Dy2 N7 62.8(3) . . ?
O17 Dy2 N11 134.8(3) . . ?
O20 Dy2 Na4 116.4(2) . 4_556 ?
O20 Dy2 Na4 161.2(2) . . ?
O20 Dy2 Na3 106.4(2) . . ?
O20 Dy2 O17 82.3(3) . . ?
O20 Dy2 N9 61.9(3) . . ?
O20 Dy2 N7 135.9(3) . . ?
O20 Dy2 N11 66.8(3) . . ?
N9 Dy2 Na4 105.0(2) . . ?
N9 Dy2 Na4 115.3(2) . 4_556 ?
N9 Dy2 Na3 64.1(2) . . ?
N7 Dy2 Na4 61.3(2) . . ?
N7 Dy2 Na4 102.7(2) . 4_556 ?
N7 Dy2 Na3 112.7(2) . . ?
N7 Dy2 N9 119.2(3) . . ?
N11 Dy2 Na4 63.1(2) . 4_556 ?
N11 Dy2 Na4 114.2(2) . . ?
N11 Dy2 Na3 104.0(2) . . ?
N11 Dy2 N9 119.3(3) . . ?
N11 Dy2 N7 119.9(3) . . ?
Dy2 Na4 Dy2 115.99(12) . 4_556 ?
Na4 Na4 Dy2 62.45(13) 4_556 4_556 ?
Na4 Na4 Dy2 62.86(14) 4_556 . ?
Na4 Na4 Na3 60.09(10) 4_556 . ?
Na3 Na4 Dy2 62.65(8) . 4_556 ?
Na3 Na4 Dy2 62.80(8) . . ?
O19 Na4 Dy2 124.7(3) . 4_556 ?
O19 Na4 Dy2 96.5(2) . . ?
O19 Na4 Na4 156.4(3) . 4_556 ?
O19 Na4 Na3 101.4(2) . . ?
O19 Na4 O13 92.1(3) . 4_556 ?
O19 Na4 O15 126.4(3) . . ?
O19 Na4 O16 98.7(3) . 4_556 ?
O19 Na4 C66 48.7(3) . . ?
O19 Na4 C49 143.6(3) . 4_556 ?
O13 Na4 Dy2 105.4(2) 4_556 . ?
O13 Na4 Dy2 38.63(18) 4_556 4_556 ?
O13 Na4 Na4 83.4(2) 4_556 4_556 ?
O13 Na4 Na3 42.9(2) 4_556 . ?
O13 Na4 C66 77.8(3) 4_556 . ?
O13 Na4 C49 95.8(3) 4_556 4_556 ?
O14 Na4 Dy2 110.5(3) . 4_556 ?
O14 Na4 Dy2 37.1(2) . . ?
O14 Na4 Na4 86.5(2) . 4_556 ?
O14 Na4 Na3 48.2(2) . . ?
O14 Na4 O19 69.9(3) . . ?
O14 Na4 O13 80.7(3) . 4_556 ?
O14 Na4 O15 75.4(3) . . ?
O14 Na4 O16 153.1(4) . 4_556 ?
O14 Na4 C66 22.2(3) . . ?
O14 Na4 C49 146.4(3) . 4_556 ?
O15 Na4 Dy2 105.0(2) . 4_556 ?
O15 Na4 Dy2 37.1(2) 4_556 4_556 ?
O15 Na4 Dy2 38.55(19) . . ?
O15 Na4 Dy2 111.1(2) 4_556 . ?
O15 Na4 Na4 48.6(2) 4_556 4_556 ?
O15 Na4 Na4 42.9(2) . 4_556 ?
O15 Na4 Na3 86.8(2) 4_556 . ?
O15 Na4 Na3 83.3(2) . . ?
O15 Na4 O19 151.8(4) 4_556 . ?
O15 Na4 O13 121.3(3) . 4_556 ?
O15 Na4 O13 75.6(3) 4_556 4_556 ?
O15 Na4 O14 130.7(3) 4_556 . ?
O15 Na4 O15 81.0(3) 4_556 . ?
O15 Na4 O16 69.9(3) 4_556 4_556 ?
O15 Na4 C66 95.5(3) . . ?
O15 Na4 C66 146.1(3) 4_556 . ?
O15 Na4 C49 78.2(3) . 4_556 ?
O15 Na4 C49 22.5(3) 4_556 4_556 ?
O16 Na4 Dy2 126.3(3) 4_556 . ?
O16 Na4 Dy2 96.0(3) 4_556 4_556 ?
O16 Na4 Na4 102.8(2) 4_556 4_556 ?
O16 Na4 Na3 156.7(3) 4_556 . ?
O16 Na4 O13 125.0(3) 4_556 4_556 ?
O16 Na4 O15 94.1(3) 4_556 . ?
O16 Na4 C66 143.9(4) 4_556 . ?
O16 Na4 C49 48.6(3) 4_556 4_556 ?
C66 Na4 Dy2 57.1(2) . . ?
C66 Na4 Dy2 114.8(2) . 4_556 ?
C66 Na4 Na4 107.8(3) . 4_556 ?
C66 Na4 Na3 59.3(2) . . ?
C49 Na4 Dy2 115.3(2) 4_556 . ?
C49 Na4 Dy2 57.4(2) 4_556 4_556 ?
C49 Na4 Na4 60.0(2) 4_556 4_556 ?
C49 Na4 Na3 108.5(3) 4_556 . ?
C49 Na4 C66 167.2(4) 4_556 . ?
Dy2 Na3 Dy2 115.58(17) . 4_556 ?
Na4 Na3 Dy2 62.61(12) . 4_556 ?
Na4 Na3 Dy2 62.35(12) . . ?
Na4 Na3 Dy2 62.36(12) 4_556 4_556 ?
Na4 Na3 Dy2 62.61(12) 4_556 . ?
Na4 Na3 Na4 59.82(19) . 4_556 ?
O13 Na3 Dy2 37.3(2) 4_556 4_556 ?
O13 Na3 Dy2 111.3(3) . 4_556 ?
O13 Na3 Dy2 37.3(2) . . ?
O13 Na3 Dy2 111.3(3) 4_556 . ?
O13 Na3 Na4 87.1(3) . . ?
O13 Na3 Na4 87.1(3) 4_556 4_556 ?
O13 Na3 Na4 49.3(2) 4_556 . ?
O13 Na3 Na4 49.3(2) . 4_556 ?
O13 Na3 O13 132.1(5) . 4_556 ?
O13 Na3 O22 70.3(3) . . ?
O13 Na3 O22 70.3(3) 4_556 4_556 ?
O13 Na3 O22 150.4(3) . 4_556 ?
O13 Na3 O22 150.4(3) 4_556 . ?
O13 Na3 O14 81.8(3) . 4_556 ?
O13 Na3 O14 75.2(3) . . ?
O13 Na3 O14 75.2(3) 4_556 4_556 ?
O13 Na3 O14 81.8(3) 4_556 . ?
O13 Na3 C82 22.1(3) 4_556 4_556 ?
O13 Na3 C82 147.3(4) 4_556 . ?
O13 Na3 C82 147.3(4) . 4_556 ?
O13 Na3 C82 22.1(3) . . ?
O22 Na3 Dy2 124.2(2) 4_556 . ?
O22 Na3 Dy2 97.9(2) 4_556 4_556 ?
O22 Na3 Dy2 124.2(2) . 4_556 ?
O22 Na3 Dy2 97.9(2) . . ?
O22 Na3 Na4 102.3(2) . 4_556 ?
O22 Na3 Na4 157.3(3) . . ?
O22 Na3 Na4 157.3(3) 4_556 4_556 ?
O22 Na3 Na4 102.3(2) 4_556 . ?
O22 Na3 O22 98.1(5) 4_556 . ?
O22 Na3 O14 126.8(3) . . ?
O22 Na3 O14 92.5(3) . 4_556 ?
O22 Na3 O14 92.5(3) 4_556 . ?
O22 Na3 O14 126.8(3) 4_556 4_556 ?
O22 Na3 C82 142.4(4) . 4_556 ?
O22 Na3 C82 49.1(3) 4_556 4_556 ?
O22 Na3 C82 142.4(4) 4_556 . ?
O22 Na3 C82 49.1(3) . . ?
O14 Na3 Dy2 105.4(2) . 4_556 ?
O14 Na3 Dy2 105.4(2) 4_556 . ?
O14 Na3 Dy2 37.97(18) . . ?
O14 Na3 Dy2 37.97(18) 4_556 4_556 ?
O14 Na3 Na4 83.1(3) . 4_556 ?
O14 Na3 Na4 43.1(2) . . ?
O14 Na3 Na4 83.1(3) 4_556 . ?
O14 Na3 Na4 43.1(2) 4_556 4_556 ?
O14 Na3 O14 121.3(4) 4_556 . ?
O14 Na3 C82 95.1(3) . . ?
O14 Na3 C82 95.1(3) 4_556 4_556 ?
O14 Na3 C82 78.9(3) . 4_556 ?
O14 Na3 C82 78.9(3) 4_556 . ?
C82 Na3 Dy2 115.3(2) . 4_556 ?
C82 Na3 Dy2 57.4(2) . . ?
C82 Na3 Dy2 57.4(2) 4_556 4_556 ?
C82 Na3 Dy2 115.3(2) 4_556 . ?
C82 Na3 Na4 108.3(3) . . ?
C82 Na3 Na4 108.3(3) 4_556 4_556 ?
C82 Na3 Na4 60.3(2) . 4_556 ?
C82 Na3 Na4 60.3(2) 4_556 . ?
C82 Na3 C82 168.0(5) 4_556 . ?
C65 O19 Na4 114.6(7) . . ?
C65 O19 C80 117.3(9) . . ?
C80 O19 Na4 124.8(7) . . ?
Dy2 O13 Na4 97.6(3) . 4_556 ?
Na3 O13 Dy2 105.6(3) . . ?
Na3 O13 Na4 87.8(3) . 4_556 ?
C82 O13 Dy2 129.4(7) . . ?
C82 O13 Na4 111.1(7) . 4_556 ?
C82 O13 Na3 115.9(7) . . ?
C96 O22 Na3 125.1(8) . . ?
C81 O22 Na3 115.0(7) . . ?
C81 O22 C96 116.6(10) . . ?
Dy2 O14 Na4 105.4(3) . . ?
Dy2 O14 Na3 99.5(3) . . ?
Na4 O14 Na3 88.7(3) . . ?
C66 O14 Dy2 128.8(7) . . ?
C66 O14 Na4 115.4(7) . . ?
C66 O14 Na3 110.6(7) . . ?
Dy2 O15 Na4 98.4(3) . . ?
Na4 O15 Dy2 106.1(3) 4_556 . ?
Na4 O15 Na4 88.6(3) 4_556 . ?
C49 O15 Dy2 128.8(7) . . ?
C49 O15 Na4 111.0(7) . . ?
C49 O15 Na4 115.3(7) . 4_556 ?
C50 O16 Na4 116.2(7) . 4_556 ?
C50 O16 C51 115.6(9) . . ?
C51 O16 Na4 125.5(7) . 4_556 ?
C85 O23 Dy2 123.5(8) . . ?
C57 O17 Dy2 119.8(8) . . ?
C70 O21 H21A 138.6 . . ?
C69 O20 Dy2 123.5(8) . . ?
C86 O24 H24A 144.8 . . ?
C58 O18 H18 144.6 . . ?
N11 N12 H12B 121.8 . . ?
C85 N12 H12B 121.8 . . ?
C85 N12 N11 116.4(9) . . ?
N9 N10 H10A 122.0 . . ?
C69 N10 H10A 122.0 . . ?
C69 N10 N9 116.0(10) . . ?
N10 N9 Dy2 113.0(7) . . ?
C68 N9 Dy2 130.8(8) . . ?
C68 N9 N10 116.1(10) . . ?
N8 N7 Dy2 112.0(7) . . ?
C56 N7 Dy2 130.9(8) . . ?
C56 N7 N8 116.6(10) . . ?
N7 N8 H8A 121.6 . . ?
C57 N8 N7 116.9(10) . . ?
C57 N8 H8A 121.6 . . ?
N12 N11 Dy2 113.5(6) . . ?
C84 N11 Dy2 129.9(8) . . ?
C84 N11 N12 116.0(10) . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 C62 120.0 . . ?
C60 C61 H61 120.0 . . ?
C61 C60 H60 120.0 . . ?
C61 C60 C59 120.0 . . ?
C59 C60 H60 120.0 . . ?
C60 C59 C64 120.0 . . ?
C60 C59 C58 117.4(11) . . ?
C64 C59 C58 122.4(11) . . ?
C59 C64 H64 120.0 . . ?
C59 C64 C63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63 120.0 . . ?
C73 C74 H74 117.9 . . ?
C75 C74 H74 117.9 . . ?
C75 C74 C73 124(2) . . ?
N7 C56 H56 118.9 . . ?
N7 C56 C55 122.2(12) . . ?
C55 C56 H56 118.9 . . ?
O24 C86 H86 108.3 . . ?
O24 C86 C85 108.8(10) . . ?
O24 C86 C87 112.7(10) . . ?
C85 C86 H86 108.3 . . ?
C85 C86 C87 110.4(10) . . ?
C87 C86 H86 108.3 . . ?
C53 C54 H54 119.4 . . ?
C53 C54 C55 121.2(13) . . ?
C55 C54 H54 119.4 . . ?
O23 C85 N12 121.1(11) . . ?
O23 C85 C86 122.4(11) . . ?
N12 C85 C86 116.4(11) . . ?
O22 C96 H96A 109.5 . . ?
O22 C96 H96B 109.5 . . ?
O22 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
O14 C66 Na4 42.4(5) . . ?
O14 C66 C67 124.1(10) . . ?
O14 C66 C65 120.2(11) . . ?
C67 C66 Na4 163.1(8) . . ?
C65 C66 Na4 78.5(7) . . ?
C65 C66 C67 115.7(11) . . ?
C66 C67 C68 121.6(11) . . ?
C66 C67 C77 121.8(11) . . ?
C77 C67 C68 116.5(11) . . ?
C87 C88 H88 120.4 . . ?
C87 C88 C89 119.1(15) . . ?
C89 C88 H88 120.4 . . ?
N9 C68 C67 122.1(12) . . ?
N9 C68 H68 119.0 . . ?
C67 C68 H68 119.0 . . ?
O19 C65 C66 115.8(10) . . ?
O19 C65 C79 123.0(11) . . ?
C66 C65 C79 120.4(11) . . ?
C83 C93 H93 118.5 . . ?
C94 C93 H93 118.5 . . ?
C94 C93 C83 123.0(13) . . ?
C54 C53 H53 120.6 . . ?
C54 C53 C52 118.9(12) . . ?
C52 C53 H53 120.6 . . ?
O18 C58 C59 105.1(11) . . ?
O18 C58 H58 109.9 . . ?
O18 C58 C57 108.8(11) . . ?
C59 C58 H58 109.9 . . ?
C59 C58 C57 113.2(12) . . ?
C57 C58 H58 109.9 . . ?
O16 C50 C49 113.5(10) . . ?
C52 C50 O16 125.9(12) . . ?
C52 C50 C49 120.5(13) . . ?
O15 C49 Na4 42.2(5) . 4_556 ?
O15 C49 C50 121.0(11) . . ?
O15 C49 C55 122.2(11) . . ?
C50 C49 Na4 80.3(7) . 4_556 ?
C55 C49 Na4 160.8(8) . 4_556 ?
C55 C49 C50 116.7(10) . . ?
N11 C84 H84 118.0 . . ?
N11 C84 C83 124.0(11) . . ?
C83 C84 H84 118.0 . . ?
C72 C71 C70 120.7(14) . . ?
C76 C71 C72 116.3(16) . . ?
C76 C71 C70 123.0(14) . . ?
O16 C51 H51A 109.5 . . ?
O16 C51 H51B 109.5 . . ?
O16 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C93 C83 C84 116.9(12) . . ?
C93 C83 C82 121.3(12) . . ?
C82 C83 C84 121.8(10) . . ?
O19 C80 H80A 109.5 . . ?
O19 C80 H80B 109.5 . . ?
O19 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
O17 C57 N8 122.7(11) . . ?
O17 C57 C58 117.9(12) . . ?
N8 C57 C58 119.3(11) . . ?
O22 C81 C82 115.1(11) . . ?
O22 C81 C95 125.9(12) . . ?
C95 C81 C82 118.9(13) . . ?
O20 C69 N10 122.1(11) . . ?
O20 C69 C70 120.8(12) . . ?
N10 C69 C70 117.0(11) . . ?
C67 C77 H77 120.1 . . ?
C78 C77 C67 119.8(12) . . ?
C78 C77 H77 120.1 . . ?
C54 C55 C56 116.9(12) . . ?
C49 C55 C56 123.0(10) . . ?
C49 C55 C54 120.1(11) . . ?
C87 C92 H92 120.6 . . ?
C87 C92 C91 118.8(16) . . ?
C91 C92 H92 120.6 . . ?
O13 C82 Na3 42.0(5) . . ?
O13 C82 C83 123.5(10) . . ?
O13 C82 C81 119.9(11) . . ?
C83 C82 Na3 160.8(8) . . ?
C83 C82 C81 116.4(10) . . ?
C81 C82 Na3 78.7(8) . . ?
C71 C72 H72 120.0 . . ?
C73 C72 C71 120.0(18) . . ?
C73 C72 H72 120.0 . . ?
C77 C78 H78 119.9 . . ?
C79 C78 C77 120.3(12) . . ?
C79 C78 H78 119.9 . . ?
C88 C87 C86 118.8(12) . . ?
C92 C87 C86 121.6(13) . . ?
C92 C87 C88 119.6(14) . . ?
C89 C90 H90 118.8 . . ?
C91 C90 H90 118.8 . . ?
C91 C90 C89 122.3(18) . . ?
C88 C89 H89 120.3 . . ?
C90 C89 C88 119.4(17) . . ?
C90 C89 H89 120.3 . . ?
C53 C52 H52 118.8 . . ?
C50 C52 C53 122.4(14) . . ?
C50 C52 H52 118.8 . . ?
C65 C79 H79 119.3 . . ?
C78 C79 C65 121.5(12) . . ?
C78 C79 H79 119.3 . . ?
C81 C95 H95 118.0 . . ?
C81 C95 C94 124.0(13) . . ?
C94 C95 H95 118.0 . . ?
C92 C91 H91 119.7 . . ?
C90 C91 C92 120.6(18) . . ?
C90 C91 H91 119.7 . . ?
C74 C73 C72 119(2) . . ?
C74 C73 H73 120.6 . . ?
C72 C73 H73 120.6 . . ?
C74 C75 H75 121.6 . . ?
C74 C75 C76 117(2) . . ?
C76 C75 H75 121.6 . . ?
C71 C76 H76 118.2 . . ?
C75 C76 C71 123.6(19) . . ?
C75 C76 H76 118.2 . . ?
C93 C94 C95 115.9(12) . . ?
C93 C94 H94 122.0 . . ?
C95 C94 H94 122.0 . . ?
O21 C70 C71 112.2(11) . . ?
O21 C70 C69 114.0(11) . . ?
O21 C70 H70 106.3 . . ?
C71 C70 H70 106.3 . . ?
C69 C70 C71 111.1(11) . . ?
C69 C70 H70 106.3 . . ?
H25A O25 H25B 112.6 . . ?
O25 N13 O26 131(3) . . ?
O25 N13 O27 124(3) . . ?
O27 N13 O26 104(3) . . ?
O28 N14 O29 119.0(12) . . ?
O30 N14 O28 123.9(12) . . ?
O30 N14 O29 117.0(11) . . ?
O31 N15 O32 123(2) . . ?
O31 N15 O33 121.0(15) . . ?
O33 N15 O32 115.6(19) . . ?

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 O2 C17 Na1 -143.8(10) . . . . ?
Dy1 O2 C17 C18 -127.5(9) . . . . ?
Dy1 O2 C17 C23 51.8(13) . . . . ?
Dy1 O1 C33 Na1 -142.9(11) . . . 3_566 ?
Dy1 O1 C33 C39 51.7(15) . . . . ?
Dy1 O1 C33 C34 -130.4(9) . . . . ?
Dy1 O3 C1 Na2 -143.1(11) . . . . ?
Dy1 O3 C1 C7 51.7(15) . . . . ?
Dy1 O3 C1 C2 -129.4(9) . . . . ?
Dy1 O8 C25 N4 16.8(15) . . . . ?
Dy1 O8 C25 C26 -164.3(8) . . . . ?
Dy1 O11 C41 N6 20.1(15) . . . . ?
Dy1 O11 C41 C42 -156.7(7) . . . . ?
Dy1 O5 C9 N2 20.7(14) . . . . ?
Dy1 O5 C9 C10 -154.6(8) . . . . ?
Dy1 N3 N4 C25 -18.7(11) . . . . ?
Dy1 N3 C24 C23 -7.7(17) . . . . ?
Dy1 N1 C8 C7 -9.6(18) . . . . ?
Dy1 N5 C40 C39 -4.7(17) . . . . ?
Na1 O10 C34 C33 -12.6(12) 3_566 . . . ?
Na1 O10 C34 C36 166.9(9) 3_566 . . . ?
Na1 O7 C18 C17 -15.8(12) . . . . ?
Na1 O7 C18 C20 164.3(9) . . . . ?
Na1 O2 C17 C18 16.3(12) . . . . ?
Na1 O2 C17 C23 -164.4(9) . . . . ?
Na1 O1 C33 Na1 98.1(6) . . . 3_566 ?
Na1 O1 C33 C39 -67.4(12) . . . . ?
Na1 O1 C33 C39 -165.5(8) 3_566 . . . ?
Na1 O1 C33 C34 12.5(13) 3_566 . . . ?
Na1 O1 C33 C34 110.6(10) . . . . ?
Na1 O3 C1 Na2 97.9(6) 3_566 . . . ?
Na1 O3 C1 C7 -67.3(11) 3_566 . . . ?
Na1 O3 C1 C2 111.6(10) 3_566 . . . ?
Na1 C17 C18 O7 10.9(8) . . . . ?
Na1 C17 C18 C20 -169.2(11) . . . . ?
Na1 C17 C23 C24 -36(3) . . . . ?
Na1 C17 C23 C22 142(2) . . . . ?
Na2 O4 C2 C1 -13.9(11) . . . . ?
Na2 O4 C2 C4 165.0(9) . . . . ?
Na2 O2 C17 Na1 97.5(6) . . . . ?
Na2 O2 C17 C18 113.8(9) . . . . ?
Na2 O2 C17 C23 -66.9(11) . . . . ?
Na2 O3 C1 C7 -165.2(8) . . . . ?
Na2 O3 C1 C2 13.7(13) . . . . ?
O10 C34 C33 Na1 8.7(9) . . . 3_566 ?
O10 C34 C33 O1 0.3(16) . . . . ?
O10 C34 C33 C39 178.3(10) . . . . ?
O10 C34 C36 C37 -178.4(11) . . . . ?
O4 C2 C1 Na2 9.5(8) . . . . ?
O4 C2 C1 O3 0.2(15) . . . . ?
O4 C2 C1 C7 179.2(9) . . . . ?
O4 C2 C4 C5 -177.9(11) . . . . ?
O2 C17 C18 O7 -0.3(15) . . . . ?
O2 C17 C18 C20 179.7(10) . . . . ?
O2 C17 C23 C24 -1.5(17) . . . . ?
O2 C17 C23 C22 177.2(10) . . . . ?
O11 C41 C42 O12 -167.1(10) . . . . ?
O11 C41 C42 C43 -41.5(14) . . . . ?
O9 C26 C25 O8 172.0(10) . . . . ?
O9 C26 C25 N4 -9.0(15) . . . . ?
O9 C26 C27 C28 -112.7(14) . . . . ?
O9 C26 C27 C32 60.5(17) . . . . ?
O6 C10 C11 C12 -133.3(14) . . . . ?
O6 C10 C11 C16 45.2(16) . . . . ?
O5 C9 C10 O6 -175.5(10) . . . . ?
O5 C9 C10 C11 -46.2(15) . . . . ?
N3 N4 C25 O8 3.0(16) . . . . ?
N3 N4 C25 C26 -175.9(10) . . . . ?
N3 C24 C23 C17 -16.6(18) . . . . ?
N3 C24 C23 C22 164.6(11) . . . . ?
N6 N5 C40 C39 -178.8(10) . . . . ?
N6 C41 C42 O12 15.9(14) . . . . ?
N6 C41 C42 C43 141.5(10) . . . . ?
N4 N3 C24 C23 -178.6(10) . . . . ?
N2 N1 C8 C7 179.0(11) . . . . ?
N2 C9 C10 O6 9.1(15) . . . . ?
N2 C9 C10 C11 138.4(11) . . . . ?
N1 N2 C9 O5 -0.6(15) . . . . ?
N1 N2 C9 C10 174.8(9) . . . . ?
N1 C8 C7 C1 -14.9(19) . . . . ?
N1 C8 C7 C6 166.7(12) . . . . ?
N5 N6 C41 O11 -0.5(15) . . . . ?
N5 N6 C41 C42 176.4(10) . . . . ?
N5 C40 C39 C33 -19.6(18) . . . . ?
N5 C40 C39 C38 161.6(11) . . . . ?
C40 C39 C33 Na1 -31(3) . . . 3_566 ?
C40 C39 C33 O1 -0.6(18) . . . . ?
C40 C39 C33 C34 -178.6(10) . . . . ?
C40 C39 C38 C37 179.9(11) . . . . ?
C24 N3 N4 C25 153.7(10) . . . . ?
C26 C27 C32 C31 -176.5(16) . . . . ?
C25 C26 C27 C28 129.2(13) . . . . ?
C25 C26 C27 C32 -57.5(18) . . . . ?
C8 C7 C1 Na2 -33(3) . . . . ?
C8 C7 C1 O3 -2.8(17) . . . . ?
C8 C7 C1 C2 178.2(11) . . . . ?
C8 C7 C6 C5 -176.2(13) . . . . ?
C7 C6 C5 C4 -4(2) . . . . ?
C9 N2 N1 Dy1 -17.1(12) . . . . ?
C9 N2 N1 C8 155.9(11) . . . . ?
C9 C10 C11 C12 100.2(15) . . . . ?
C9 C10 C11 C16 -81.4(13) . . . . ?
C41 N6 N5 Dy1 -15.9(11) . . . . ?
C41 N6 N5 C40 159.3(10) . . . . ?
C46 C47 C48 C43 2(2) . . . . ?
C46 C45 C44 C43 1(2) . . . . ?
C1 C7 C6 C5 5.4(19) . . . . ?
C1 C2 C4 C5 1.0(19) . . . . ?
C10 C11 C12 C13 178.0(15) . . . . ?
C10 C11 C16 C15 -176.4(12) . . . . ?
C33 C39 C38 C37 1.1(18) . . . . ?
C33 C34 C36 C37 1.1(19) . . . . ?
C20 C21 C22 C23 -1.3(19) . . . . ?
C21 C20 C18 O7 -177.6(11) . . . . ?
C21 C20 C18 C17 2.4(19) . . . . ?
C21 C22 C23 C24 -177.1(11) . . . . ?
C21 C22 C23 C17 4.1(18) . . . . ?
C28 C27 C32 C31 -3(3) . . . . ?
C28 C29 C30 C31 -4(3) . . . . ?
C27 C26 C25 O8 -69.1(15) . . . . ?
C27 C26 C25 N4 109.9(13) . . . . ?
C27 C28 C29 C30 3(3) . . . . ?
C36 C37 C38 C39 -1.2(19) . . . . ?
C36 C34 C33 Na1 -170.8(11) . . . 3_566 ?
C36 C34 C33 O1 -179.2(11) . . . . ?
C36 C34 C33 C39 -1.2(17) . . . . ?
C11 C12 C13 C14 0(3) . . . . ?
C19 O7 C18 C17 -177.3(10) . . . . ?
C19 O7 C18 C20 2.8(16) . . . . ?
C42 C43 C48 C47 -178.1(13) . . . . ?
C42 C43 C44 C45 176.7(11) . . . . ?
C3 O4 C2 C1 179.0(9) . . . . ?
C3 O4 C2 C4 -2.1(15) . . . . ?
C38 C39 C33 Na1 147(2) . . . 3_566 ?
C38 C39 C33 O1 178.1(11) . . . . ?
C38 C39 C33 C34 0.1(17) . . . . ?
C38 C37 C36 C34 0.1(19) . . . . ?
C47 C46 C45 C44 3(2) . . . . ?
C48 C43 C42 O12 -142.6(12) . . . . ?
C48 C43 C42 C41 96.9(13) . . . . ?
C48 C43 C44 C45 -2.5(18) . . . . ?
C35 O10 C34 C33 -177.8(11) . . . . ?
C35 O10 C34 C36 1.7(17) . . . . ?
C15 C14 C13 C12 -2(3) . . . . ?
C32 C31 C30 C29 2(4) . . . . ?
C12 C11 C16 C15 2(2) . . . . ?
C29 C28 C27 C26 174.4(13) . . . . ?
C29 C28 C27 C32 1(2) . . . . ?
C14 C15 C16 C11 -4(2) . . . . ?
C30 C31 C32 C27 2(3) . . . . ?
C16 C11 C12 C13 0(2) . . . . ?
C16 C15 C14 C13 4(3) . . . . ?
C6 C7 C1 Na2 145.1(19) . . . . ?
C6 C7 C1 O3 175.6(11) . . . . ?
C6 C7 C1 C2 -3.4(17) . . . . ?
C6 C5 C4 C2 1(2) . . . . ?
C4 C2 C1 Na2 -169.4(11) . . . . ?
C4 C2 C1 O3 -178.7(11) . . . . ?
C4 C2 C1 C7 0.3(16) . . . . ?
C18 C17 C23 C24 177.8(11) . . . . ?
C18 C17 C23 C22 -3.5(16) . . . . ?
C18 C20 C21 C22 -1.9(19) . . . . ?
C23 C17 C18 O7 -179.6(10) . . . . ?
C23 C17 C18 C20 0.4(16) . . . . ?
C45 C46 C47 C48 -4(2) . . . . ?
C44 C43 C42 O12 38.2(15) . . . . ?
C44 C43 C42 C41 -82.3(13) . . . . ?
C44 C43 C48 C47 1.2(19) . . . . ?
Dy2 O13 C82 Na3 -141.7(11) . . . . ?
Dy2 O13 C82 C83 54.9(15) . . . . ?
Dy2 O13 C82 C81 -129.7(9) . . . . ?
Dy2 O14 C66 Na4 -139.4(11) . . . . ?
Dy2 O14 C66 C67 54.3(15) . . . . ?
Dy2 O14 C66 C65 -127.8(9) . . . . ?
Dy2 O15 C49 Na4 -140.6(10) . . . 4_556 ?
Dy2 O15 C49 C50 -123.8(10) . . . . ?
Dy2 O15 C49 C55 54.1(14) . . . . ?
Dy2 O23 C85 N12 14.0(15) . . . . ?
Dy2 O23 C85 C86 -160.3(8) . . . . ?
Dy2 O17 C57 N8 22.3(16) . . . . ?
Dy2 O17 C57 C58 -160.6(9) . . . . ?
Dy2 O20 C69 N10 15.9(17) . . . . ?
Dy2 O20 C69 C70 -161.3(9) . . . . ?
Dy2 N9 C68 C67 2.3(19) . . . . ?
Dy2 N7 N8 C57 -15.8(13) . . . . ?
Dy2 N7 C56 C55 -5.3(19) . . . . ?
Dy2 N11 C84 C83 -4.9(17) . . . . ?
Na4 O19 C65 C66 -18.8(12) . . . . ?
Na4 O19 C65 C79 171.9(9) . . . . ?
Na4 O13 C82 Na3 98.2(6) 4_556 . . . ?
Na4 O13 C82 C83 -65.2(12) 4_556 . . . ?
Na4 O13 C82 C81 110.2(10) 4_556 . . . ?
Na4 O14 C66 C67 -166.3(9) . . . . ?
Na4 O14 C66 C65 11.6(13) . . . . ?
Na4 O15 C49 Na4 98.8(6) . . . 4_556 ?
Na4 O15 C49 C50 16.9(13) 4_556 . . . ?
Na4 O15 C49 C50 115.6(10) . . . . ?
Na4 O15 C49 C55 -165.3(9) 4_556 . . . ?
Na4 O15 C49 C55 -66.5(12) . . . . ?
Na4 O16 C50 C49 -13.9(13) 4_556 . . . ?
Na4 O16 C50 C52 163.1(12) 4_556 . . . ?
Na4 C66 C67 C68 -35(3) . . . . ?
Na4 C66 C67 C77 147(2) . . . . ?
Na4 C66 C65 O19 12.9(8) . . . . ?
Na4 C66 C65 C79 -177.5(11) . . . . ?
Na4 C49 C55 C56 -32(3) 4_556 . . . ?
Na4 C49 C55 C54 148(2) 4_556 . . . ?
Na3 O13 C82 C83 -163.3(9) . . . . ?
Na3 O13 C82 C81 12.0(13) . . . . ?
Na3 O22 C81 C82 -17.0(13) . . . . ?
Na3 O22 C81 C95 166.8(11) . . . . ?
Na3 O14 C66 Na4 98.7(6) . . . . ?
Na3 O14 C66 C67 -67.6(12) . . . . ?
Na3 O14 C66 C65 110.3(10) . . . . ?
O19 C65 C79 C78 178.0(12) . . . . ?
O22 C81 C82 Na3 11.7(9) . . . . ?
O22 C81 C82 O13 3.6(16) . . . . ?
O22 C81 C82 C83 179.2(10) . . . . ?
O22 C81 C95 C94 -176.7(13) . . . . ?
O14 C66 C67 C68 -1.8(19) . . . . ?
O14 C66 C67 C77 -179.6(12) . . . . ?
O14 C66 C65 O19 5.0(16) . . . . ?
O14 C66 C65 C79 174.6(11) . . . . ?
O15 C49 C55 C56 -0.5(18) . . . . ?
O15 C49 C55 C54 178.8(11) . . . . ?
O16 C50 C49 Na4 9.5(9) . . . 4_556 ?
O16 C50 C49 O15 -1.9(16) . . . . ?
O16 C50 C49 C55 -179.9(10) . . . . ?
O16 C50 C52 C53 -179.9(12) . . . . ?
O20 C69 C70 O21 -155.9(12) . . . . ?
O20 C69 C70 C71 -27.9(17) . . . . ?
O24 C86 C85 O23 -164.5(11) . . . . ?
O24 C86 C85 N12 21.0(15) . . . . ?
O24 C86 C87 C88 -164.2(11) . . . . ?
O24 C86 C87 C92 17.7(17) . . . . ?
O18 C58 C57 O17 172.2(12) . . . . ?
O18 C58 C57 N8 -10.6(18) . . . . ?
N12 N11 C84 C83 -175.5(10) . . . . ?
N10 N9 C68 C67 -173.3(11) . . . . ?
N10 C69 C70 O21 26.7(17) . . . . ?
N10 C69 C70 C71 154.7(12) . . . . ?
N9 N10 C69 O20 0.6(18) . . . . ?
N9 N10 C69 C70 178.0(10) . . . . ?
N7 N8 C57 O17 -2.6(18) . . . . ?
N7 N8 C57 C58 -179.7(11) . . . . ?
N7 C56 C55 C54 159.7(12) . . . . ?
N7 C56 C55 C49 -21(2) . . . . ?
N8 N7 C56 C55 -175.7(11) . . . . ?
N11 N12 C85 O23 1.3(16) . . . . ?
N11 N12 C85 C86 175.9(10) . . . . ?
N11 C84 C83 C93 162.8(12) . . . . ?
N11 C84 C83 C82 -16.8(18) . . . . ?
C62 C61 C60 C59 0.0 . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C61 C60 C59 C64 0.0 . . . . ?
C61 C60 C59 C58 -174.8(13) . . . . ?
C60 C59 C64 C63 0.0 . . . . ?
C60 C59 C58 O18 -96.0(13) . . . . ?
C60 C59 C58 C57 145.3(11) . . . . ?
C59 C64 C63 C62 0.0 . . . . ?
C59 C58 C57 O17 -71.3(16) . . . . ?
C59 C58 C57 N8 105.9(15) . . . . ?
C64 C59 C58 O18 89.3(13) . . . . ?
C64 C59 C58 C57 -29.4(16) . . . . ?
C63 C62 C61 C60 0.0 . . . . ?
C74 C75 C76 C71 -4(3) . . . . ?
C56 N7 N8 C57 156.4(12) . . . . ?
C54 C53 C52 C50 3(2) . . . . ?
C85 N12 N11 Dy2 -13.4(12) . . . . ?
C85 N12 N11 C84 158.8(11) . . . . ?
C85 C86 C87 C88 73.9(15) . . . . ?
C85 C86 C87 C92 -104.2(14) . . . . ?
C96 O22 C81 C82 -177.7(11) . . . . ?
C96 O22 C81 C95 6.2(19) . . . . ?
C66 C67 C68 N9 -24(2) . . . . ?
C66 C67 C77 C78 1(2) . . . . ?
C66 C65 C79 C78 9.2(19) . . . . ?
C67 C66 C65 O19 -177.0(10) . . . . ?
C67 C66 C65 C79 -7.4(16) . . . . ?
C67 C77 C78 C79 0(2) . . . . ?
C68 C67 C77 C78 -176.8(13) . . . . ?
C65 C66 C67 C68 -179.7(12) . . . . ?
C65 C66 C67 C77 2.5(18) . . . . ?
C93 C83 C82 Na3 139(2) . . . . ?
C93 C83 C82 O13 175.0(11) . . . . ?
C93 C83 C82 C81 -0.5(17) . . . . ?
C53 C54 C55 C56 -176.8(12) . . . . ?
C53 C54 C55 C49 4(2) . . . . ?
C58 C59 C64 C63 174.6(14) . . . . ?
C50 C49 C55 C56 177.4(11) . . . . ?
C50 C49 C55 C54 -3.3(17) . . . . ?
C49 C50 C52 C53 -3(2) . . . . ?
C84 C83 C82 Na3 -41(3) . . . . ?
C84 C83 C82 O13 -5.5(17) . . . . ?
C84 C83 C82 C81 179.0(10) . . . . ?
C71 C72 C73 C74 0(3) . . . . ?
C51 O16 C50 C49 -176.2(10) . . . . ?
C51 O16 C50 C52 0.8(19) . . . . ?
C83 C93 C94 C95 0(2) . . . . ?
C80 O19 C65 C66 -179.4(10) . . . . ?
C80 O19 C65 C79 11.3(16) . . . . ?
C81 C95 C94 C93 -5(2) . . . . ?
C69 N10 N9 Dy2 -14.1(13) . . . . ?
C69 N10 N9 C68 162.2(12) . . . . ?
C77 C67 C68 N9 154.2(13) . . . . ?
C77 C78 C79 C65 -5(2) . . . . ?
C55 C54 C53 C52 -4(2) . . . . ?
C82 C81 C95 C94 7(2) . . . . ?
C72 C71 C76 C75 3(2) . . . . ?
C72 C71 C70 O21 -154.3(13) . . . . ?
C72 C71 C70 C69 76.8(17) . . . . ?
C87 C86 C85 O23 -40.4(16) . . . . ?
C87 C86 C85 N12 145.1(11) . . . . ?
C87 C88 C89 C90 -2(2) . . . . ?
C87 C92 C91 C90 2(2) . . . . ?
C89 C88 C87 C86 -176.9(13) . . . . ?
C89 C88 C87 C92 1(2) . . . . ?
C89 C90 C91 C92 -3(3) . . . . ?
C52 C50 C49 Na4 -167.7(13) . . . 4_556 ?
C52 C50 C49 O15 -179.1(12) . . . . ?
C52 C50 C49 C55 2.9(18) . . . . ?
C95 C81 C82 Na3 -171.8(12) . . . . ?
C95 C81 C82 O13 -180.0(12) . . . . ?
C95 C81 C82 C83 -4.3(17) . . . . ?
C91 C92 C87 C86 177.0(13) . . . . ?
C91 C92 C87 C88 -1(2) . . . . ?
C91 C90 C89 C88 3(3) . . . . ?
C73 C74 C75 C76 4(3) . . . . ?
C75 C74 C73 C72 -2(3) . . . . ?
C76 C71 C72 C73 -1(2) . . . . ?
C76 C71 C70 O21 28.9(19) . . . . ?
C76 C71 C70 C69 -100.0(16) . . . . ?
C94 C93 C83 C84 -176.6(12) . . . . ?
C94 C93 C83 C82 3(2) . . . . ?
C70 C71 C72 C73 -177.7(14) . . . . ?
C70 C71 C76 C75 179.6(15) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.846 -0.010 -0.002 7680 2365 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.930(13)
2 0.070(13)

_chemical_properties_physical    Efflorescent
####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 1920447'
loop_
_audit_author_name
_audit_author_address
'Ge Li'
;Lanzhou University
China
;
_audit_update_record             
;
2019-08-20 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-08-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C120 H104 Dy4 N16 O25, 2(N O3), 5(H2 O), C2 H3 N'
_chemical_formula_sum            'C122 H117 Dy4 N19 O36'
_chemical_formula_weight         3075.34
_chemical_absolute_configuration ad
_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'
Dy Dy -9.8046 9.8477 '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'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   16.5304(4)
_cell_length_b                   21.5083(5)
_cell_length_c                   34.7813(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12366.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    153.15
_cell_measurement_theta_max      66.626
_cell_measurement_theta_min      2.960
_shelx_estimated_absorpt_T_max   0.553
_shelx_estimated_absorpt_T_min   0.274
_exptl_absorpt_coefficient_mu    13.459
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.3963
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1465 before and 0.0998 after correction.
The Ratio of minimum to maximum transmission is 0.5264.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6136
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            92156
_diffrn_reflns_point_group_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        66.632
_diffrn_reflns_theta_max         66.632
_diffrn_reflns_theta_min         2.415
_diffrn_ambient_temperature      153.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.766
_reflns_Friedel_fraction_full    0.903
_reflns_Friedel_fraction_max     0.903
_reflns_number_gt                19872
_reflns_number_total             20869
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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         1.726
_refine_diff_density_min         -1.685
_refine_diff_density_rms         0.125
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.050(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1918
_refine_ls_number_reflns         20869
_refine_ls_number_restraints     1794
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0401
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0581P)²+28.6735P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1061
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.950(4)
 0.050(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
3. Restrained distances
 O36-N19 = N19-O35
 1.2 with sigma of 0.02
 N19-O34
 1.2 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(N23) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C126) \\sim Ueq, Uanis(O25)
\\sim Ueq, Uanis(N17) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O27) \\sim Ueq,
Uanis(C70) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N19) \\sim Ueq, Uanis(O35) \\sim Ueq, Uanis(O34) \\sim Ueq, Uanis(O36)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C52A) \\sim Ueq,
Uanis(C57A) \\sim Ueq, Uanis(C56A) \\sim Ueq, Uanis(C55A) \\sim Ueq,
Uanis(C54A) \\sim Ueq, Uanis(C53A) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C67) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C70)
\\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C68A) \\sim Ueq,
Uanis(C69A) \\sim Ueq, Uanis(C70A) \\sim Ueq, Uanis(C71A) \\sim Ueq,
Uanis(C72A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C86) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C82A)
\\sim Ueq, Uanis(C86A) \\sim Ueq, Uanis(C87A) \\sim Ueq, Uanis(C83) \\sim Ueq,
Uanis(C83A) \\sim Ueq, Uanis(C84A) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C85)
\\sim Ueq, Uanis(C85A) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C1A) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C103) \\sim Ueq, Uanis(C1B)
\\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C1C) \\sim Ueq, Uanis(C105) \\sim Ueq,
Uanis(C1D) \\sim Ueq, Uanis(C106) \\sim Ueq, Uanis(C1E) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(O39) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O22) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N11) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Rigid body (RIGU) restrains
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C35, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C48, C49,
 C50, C51, C52, C53, C54, C55, C56, C57, C58, C59, C60, C61, C62, C63, C64, C65,
  C66, C67, C68, C69, C70, C71, C72, C73, C74, C75, C76, C77, C78, C79, C80,
 C81, C82, C83, C84, C85, C86, C87, C88, C89, C90, C91, C92, C93, C94, C95, C96,
  C97, C98, C99, C100, C101, C102, C103, C104, C105, C106, C107, C108, C109,
 C110, C111, C112, C113, C114, C115, C116, C117, C118, C119, C120, C121, C122,
 C124, C125, C126, C82A, C83A, C84A, C85A, C86A, C87A, C52A, C57A, C56A, C55A,
 C54A, C53A, C51A, C68A, C69A, C70A, C71A, C72A, C1A, C1B, C1C, C1D, C1E, N1,
 N2, N3, N4, N5, N7, N8, N9, N10, N11, N12, N13, N14, N15, N16, N20, N17, N18,
 N21, N19, N23, O1, O2, O3, O4, O5, O6, O7, O8, O9, O10, O11, O12, O13, O14,
 O15, O16, O17, O18, O19, O20, O21, O22, O23, O24, O37, O25, O26, O27, O28, O29,
  O30, O31, O32, O33, O35, O34, O36, O38, O39, O14A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
6. Others
 Sof(H81A)=Sof(C82A)=Sof(C83A)=Sof(H83A)=Sof(C84A)=Sof(H84A)=Sof(C85A)=
 Sof(H85A)=Sof(C86A)=Sof(H86A)=Sof(C87A)=Sof(H87A)=1-FVAR(1)
 Sof(H81)=Sof(C82)=Sof(C83)=Sof(H83)=Sof(C84)=Sof(H84)=Sof(C85)=Sof(H85)=
 Sof(C86)=Sof(H86)=Sof(C87)=Sof(H87)=FVAR(1)
 Sof(C52A)=Sof(C57A)=Sof(H57A)=Sof(C56A)=Sof(H56A)=Sof(C55A)=Sof(H55A)=
 Sof(C54A)=Sof(H54A)=Sof(C53A)=Sof(H53A)=Sof(C51A)=Sof(H51A)=Sof(O14A)=
 Sof(H14B)=1-FVAR(2)
 Sof(O14)=Sof(H14)=Sof(C51)=Sof(H51)=Sof(C52)=Sof(C53)=Sof(H53)=Sof(C54)=
 Sof(H54)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56)=Sof(C57)=Sof(H57)=FVAR(2)
 Sof(C68A)=Sof(H68A)=Sof(C69A)=Sof(H69A)=Sof(C70A)=Sof(H70A)=Sof(C71A)=
 Sof(H71A)=Sof(C72A)=Sof(H72A)=1-FVAR(3)
 Sof(C68)=Sof(H68)=Sof(C69)=Sof(H69)=Sof(C70)=Sof(H70)=Sof(C71)=Sof(H71)=
 Sof(C72)=Sof(H72)=FVAR(3)
 Sof(C1A)=Sof(H1A)=Sof(C1B)=Sof(H1B)=Sof(C1C)=Sof(H1C)=Sof(C1D)=Sof(H1D)=
 Sof(C1E)=Sof(H1E)=1-FVAR(4)
 Sof(C102)=Sof(H102)=Sof(C103)=Sof(H103)=Sof(C104)=Sof(H104)=Sof(C105)=
 Sof(H105)=Sof(C106)=Sof(H106)=FVAR(4)
 Fixed Sof: O25(0.5) O26(0.5) O27(0.5) N17(0.5) C122(0.5) N21(0.5) C124(0.5)
 H12B(0.5) H12C(0.5) H12D(0.5) O35(0.5) N19(0.5) O34(0.5) O36(0.5) C125(0.5)
 N23(0.5) C126(0.5) H12E(0.5) H12F(0.5) H12G(0.5)
7.a Riding coordinates:
 O4(H4), O7(H7), O10(H10), O17(H17), O20(H20), O22(H22), O24(H24), O31(H31A,
 H31B), O32(H32A,H32B), O33(H33A,H33B), O38(H38A,H38B), O39(H39A,H39B)
7.b Ternary CH refined with riding coordinates:
 C5(H5A), C20(H20A), C36(H36), C51(H51), C66(H66), C81(H81), C81(H81A),
 C100(H100), C115(H115), C51A(H51A)
7.c Aromatic/amide H refined with riding coordinates:
 N2(H2), N4(H4A), N5(H5), N8(H8), N10(H10A), N12(H12), N13(H13), N15(H15),
 C3(H3), C7(H7A), C8(H8A), C9(H9), C10(H10B), C11(H11), C12(H12A), C13(H13A),
 C14(H14A), C15(H15A), C18(H18), C22(H22A), C23(H23), C24(H24A), C25(H25),
 C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C33(H33), C38(H38), C39(H39),
  C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
 C49(H49), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59),
  C60(H60), C61(H61), C64(H64), C68(H68), C69(H69), C70(H70), C71(H71),
 C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C79(H79), C83(H83), C84(H84),
  C85(H85), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90), C91(H91),
 C93(H93), C96(H96), C97(H97), C98(H98), C99(H99), C102(H102), C103(H103),
 C104(H104), C105(H105), C106(H106), C108(H108), C111(H111), C112(H112),
 C113(H113), C114(H114), C117(H117), C118(H118), C119(H119), C120(H120),
 C121(H121), C83A(H83A), C84A(H84A), C85A(H85A), C86A(H86A), C87A(H87A),
 C57A(H57A), C56A(H56A), C55A(H55A), C54A(H54A), C53A(H53A), C68A(H68A),
 C69A(H69A), C70A(H70A), C71A(H71A), C72A(H72A), C1A(H1A), C1B(H1B), C1C(H1C),
 C1D(H1D), C1E(H1E)
7.d Idealised Me refined as rotating group:
 C124(H12B,H12C,H12D), C126(H12E,H12F,H12G)
7.e Idealised tetrahedral OH refined as rotating group:
 O14(H14), O14A(H14B)
;
_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 0.41011(2) 0.49140(2) 0.68710(2) 0.00669(10) Uani 1 1 d . . . . .
Dy2 Dy 0.19632(2) 0.51928(2) 0.68884(2) 0.00774(10) Uani 1 1 d . . . . .
Dy3 Dy 0.18957(2) 0.52021(2) 0.58681(2) 0.00858(11) Uani 1 1 d . . . . .
Dy4 Dy 0.40172(2) 0.49453(2) 0.58494(2) 0.00741(10) Uani 1 1 d . . . . .
O1 O 0.2994(3) 0.5051(2) 0.63711(14) 0.0100(9) Uani 1 1 d . U . . .
O2 O 0.3223(3) 0.5708(2) 0.70201(13) 0.0094(10) Uani 1 1 d . U . . .
O3 O 0.4560(3) 0.4114(3) 0.73016(14) 0.0135(10) Uani 1 1 d . U . . .
O4 O 0.4305(3) 0.3549(3) 0.82371(16) 0.0208(12) Uani 1 1 d . U . . .
H4 H 0.414559 0.383731 0.838739 0.031 Uiso 1 1 d R . . . .
O5 O 0.2865(3) 0.4403(2) 0.70444(13) 0.0094(10) Uani 1 1 d . U . . .
O6 O 0.1585(3) 0.6047(3) 0.72902(15) 0.0158(11) Uani 1 1 d . U . . .
O7 O 0.1465(5) 0.6539(3) 0.82708(17) 0.0356(16) Uani 1 1 d . U . . .
H7 H 0.175472 0.683435 0.834832 0.053 Uiso 1 1 d R . . . .
O8 O 0.1504(3) 0.4554(2) 0.63664(14) 0.0095(9) Uani 1 1 d . U . . .
O9 O 0.1763(3) 0.5897(2) 0.63999(14) 0.0103(9) Uani 1 1 d . U . . .
O10 O -0.1212(4) 0.4418(4) 0.7284(2) 0.0396(17) Uani 1 1 d . U . . .
H10 H -0.149403 0.475318 0.729959 0.059 Uiso 1 1 d R . . . .
O11 O 0.2831(3) 0.4413(2) 0.57014(14) 0.0108(10) Uani 1 1 d . U . . .
O12 O 0.4196(3) 0.4207(2) 0.63709(14) 0.0097(9) Uani 1 1 d . U . . .
O13 O 0.5209(3) 0.5512(2) 0.71170(14) 0.0138(10) Uani 1 1 d . U . . .
O14 O 0.7322(6) 0.5412(6) 0.7321(3) 0.031(3) Uani 0.658(17) 1 d . U P A 1
H14 H 0.766172 0.558404 0.717642 0.047 Uiso 0.658(17) 1 calc GR . P A 1
O15 O 0.4523(3) 0.5541(2) 0.63472(14) 0.0097(9) Uani 1 1 d . U . . .
O16 O 0.4706(3) 0.4081(3) 0.55593(15) 0.0165(11) Uani 1 1 d . U . . .
O17 O 0.6686(4) 0.3521(3) 0.5337(2) 0.0346(15) Uani 1 1 d . U . . .
H17 H 0.685218 0.341695 0.555615 0.052 Uiso 1 1 d R . . . .
O18 O 0.3069(3) 0.5751(2) 0.57382(14) 0.0113(10) Uani 1 1 d . U . . .
O19 O 0.1183(3) 0.4577(3) 0.53862(15) 0.0211(12) Uani 1 1 d . U . . .
O20 O 0.1135(5) 0.4377(4) 0.43644(16) 0.0378(17) Uani 1 1 d . U . . .
H20 H 0.148200 0.413784 0.426736 0.057 Uiso 1 1 d R . . . .
O21 O 0.4693(3) 0.5673(3) 0.54245(15) 0.0159(11) Uani 1 1 d . U . . .
O22 O 0.4637(5) 0.6229(4) 0.4459(2) 0.0446(17) Uani 1 1 d . U . . .
H22 H 0.417374 0.638997 0.440812 0.067 Uiso 1 1 d R . . . .
O23 O 0.1113(3) 0.6051(3) 0.56318(14) 0.0164(11) Uani 1 1 d . U . . .
O24 O -0.0933(3) 0.6481(3) 0.54372(17) 0.0252(13) Uani 1 1 d . U . . .
H24 H -0.116355 0.667630 0.562166 0.038 Uiso 1 1 d R . . . .
N1 N 0.4031(4) 0.5147(3) 0.76160(16) 0.0113(11) Uani 1 1 d . U . . .
N2 N 0.4311(4) 0.4665(3) 0.78423(16) 0.0128(11) Uani 1 1 d . U . . .
H2 H 0.433158 0.469438 0.809446 0.015 Uiso 1 1 calc R . . . .
N3 N 0.2092(4) 0.5043(3) 0.76318(17) 0.0125(11) Uani 1 1 d . U . . .
N4 N 0.1841(4) 0.5554(3) 0.78476(18) 0.0164(12) Uani 1 1 d . U . . .
H4A H 0.183780 0.554968 0.810063 0.020 Uiso 1 1 calc R . . . .
N5 N -0.0098(4) 0.5156(4) 0.7005(2) 0.0227(14) Uani 1 1 d . U . . .
H5 H -0.061955 0.523893 0.700973 0.027 Uiso 1 1 calc R . . . .
O37 O 0.0935(3) 0.4525(2) 0.71663(14) 0.0152(10) Uani 1 1 d . U . . .
N7 N 0.5592(4) 0.4491(3) 0.67516(17) 0.0140(11) Uani 1 1 d . U . . .
N8 N 0.6182(4) 0.4851(4) 0.6919(2) 0.0234(14) Uani 1 1 d . U . . .
H8 H 0.669657 0.474795 0.690982 0.028 Uiso 1 1 calc R . . . .
N9 N 0.5614(3) 0.4944(3) 0.58801(17) 0.0122(11) Uani 1 1 d . U . . .
N10 N 0.5962(4) 0.4446(3) 0.56852(18) 0.0160(12) Uani 1 1 d . U . . .
H10A H 0.649012 0.440660 0.566197 0.019 Uiso 1 1 calc R . . . .
N11 N 0.2099(4) 0.5482(3) 0.51399(17) 0.0161(12) Uani 1 1 d . U . . .
N12 N 0.1702(4) 0.5102(4) 0.48848(18) 0.0215(13) Uani 1 1 d . U . . .
H12 H 0.172787 0.516361 0.463497 0.026 Uiso 1 1 calc R . . . .
N13 N 0.4132(4) 0.5284(4) 0.48871(18) 0.0257(14) Uani 1 1 d . U . . .
H13 H 0.407725 0.529269 0.463545 0.031 Uiso 1 1 calc R . . . .
N14 N 0.3768(4) 0.4831(3) 0.51094(16) 0.0160(11) Uani 1 1 d . U . . .
N15 N -0.0089(4) 0.5616(3) 0.57817(19) 0.0180(13) Uani 1 1 d . U . . .
H15 H -0.062033 0.563399 0.577619 0.022 Uiso 1 1 calc R . . . .
N16 N 0.0308(3) 0.5126(3) 0.59529(16) 0.0129(11) Uani 1 1 d . U . . .
C1 C 0.3295(4) 0.6227(3) 0.7232(2) 0.0100(12) Uani 1 1 d . U . . .
C2 C 0.3588(5) 0.6215(4) 0.7612(2) 0.0151(14) Uani 1 1 d . U . . .
C3 C 0.3879(5) 0.5656(4) 0.7800(2) 0.0149(14) Uani 1 1 d . U . . .
H3 H 0.396255 0.566399 0.807019 0.018 Uiso 1 1 calc R . . . .
C4 C 0.4547(5) 0.4157(4) 0.7661(2) 0.0120(13) Uani 1 1 d . U . . .
C5 C 0.4823(5) 0.3610(4) 0.7911(2) 0.0159(13) Uani 1 1 d . U . . .
H5A H 0.478618 0.321995 0.775512 0.019 Uiso 1 1 calc R . . . .
C6 C 0.5686(5) 0.3693(3) 0.8039(2) 0.0149(13) Uani 1 1 d . U . . .
C7 C 0.5905(6) 0.3552(5) 0.8417(2) 0.029(2) Uani 1 1 d . U . . .
H7A H 0.550826 0.340820 0.859335 0.035 Uiso 1 1 calc R . . . .
C8 C 0.6709(6) 0.3621(6) 0.8535(3) 0.042(2) Uani 1 1 d . U . . .
H8A H 0.685573 0.353519 0.879377 0.050 Uiso 1 1 calc R . . . .
C9 C 0.7294(6) 0.3816(5) 0.8273(3) 0.035(2) Uani 1 1 d . U . . .
H9 H 0.784193 0.385470 0.835228 0.042 Uiso 1 1 calc R . . . .
C10 C 0.7079(6) 0.3952(4) 0.7903(3) 0.0296(18) Uani 1 1 d . U . . .
H10B H 0.747916 0.409029 0.772591 0.036 Uiso 1 1 calc R . . . .
C11 C 0.6283(5) 0.3890(4) 0.7783(3) 0.0228(16) Uani 1 1 d . U . . .
H11 H 0.614304 0.398212 0.752403 0.027 Uiso 1 1 calc R . . . .
C12 C 0.3594(6) 0.6769(4) 0.7828(3) 0.0271(19) Uani 1 1 d . U . . .
H12A H 0.377313 0.675960 0.808710 0.033 Uiso 1 1 calc R . . . .
C13 C 0.3345(7) 0.7325(4) 0.7669(3) 0.031(2) Uani 1 1 d . U . . .
H13A H 0.335011 0.769630 0.781724 0.037 Uiso 1 1 calc R . . . .
C14 C 0.3087(6) 0.7334(4) 0.7290(3) 0.0260(18) Uani 1 1 d . U . . .
H14A H 0.293329 0.771728 0.717573 0.031 Uiso 1 1 calc R . . . .
C15 C 0.3050(5) 0.6792(4) 0.7075(2) 0.0165(15) Uani 1 1 d . U . . .
H15A H 0.285599 0.680627 0.681780 0.020 Uiso 1 1 calc R . . . .
C16 C 0.2805(4) 0.3916(3) 0.7274(2) 0.0097(12) Uani 1 1 d . U . . .
C17 C 0.2511(5) 0.3966(4) 0.7657(2) 0.0133(13) Uani 1 1 d . U . . .
C18 C 0.2253(5) 0.4547(4) 0.7829(2) 0.0158(14) Uani 1 1 d . U . . .
H18 H 0.219905 0.456485 0.810043 0.019 Uiso 1 1 calc R . . . .
C19 C 0.1608(5) 0.6042(4) 0.7648(2) 0.0150(14) Uani 1 1 d . U . . .
C20 C 0.1305(6) 0.6613(4) 0.7868(2) 0.0241(15) Uani 1 1 d . U . . .
H20A H 0.158715 0.699368 0.777142 0.029 Uiso 1 1 calc R . . . .
C21 C 0.0395(6) 0.6671(4) 0.7793(3) 0.0260(15) Uani 1 1 d . U . . .
C22 C -0.0144(7) 0.6252(6) 0.7962(4) 0.048(3) Uani 1 1 d . U . . .
H22A H 0.005785 0.594646 0.813431 0.057 Uiso 1 1 calc R . . . .
C23 C -0.0963(8) 0.6271(6) 0.7885(4) 0.053(2) Uani 1 1 d . U . . .
H23 H -0.132538 0.598852 0.800512 0.063 Uiso 1 1 calc R . . . .
C24 C -0.1247(7) 0.6717(6) 0.7624(3) 0.044(2) Uani 1 1 d . U . . .
H24A H -0.180606 0.672844 0.756002 0.053 Uiso 1 1 calc R . . . .
C25 C -0.0733(7) 0.7134(5) 0.7460(3) 0.041(2) Uani 1 1 d . U . . .
H25 H -0.093733 0.744265 0.729019 0.049 Uiso 1 1 calc R . . . .
C26 C 0.0098(6) 0.7111(5) 0.7542(3) 0.0319(18) Uani 1 1 d . U . . .
H26 H 0.045628 0.739907 0.742365 0.038 Uiso 1 1 calc R . . . .
C27 C 0.2488(5) 0.3433(4) 0.7892(2) 0.0190(15) Uani 1 1 d . U . . .
H27 H 0.230449 0.347122 0.814982 0.023 Uiso 1 1 calc R . . . .
C28 C 0.2722(5) 0.2863(4) 0.7760(3) 0.0225(15) Uani 1 1 d . U . . .
H28 H 0.269469 0.250835 0.792185 0.027 Uiso 1 1 calc R . . . .
C29 C 0.3001(5) 0.2810(4) 0.7385(2) 0.0225(16) Uani 1 1 d . U . . .
H29 H 0.316140 0.241440 0.728988 0.027 Uiso 1 1 calc R . . . .
C30 C 0.3050(5) 0.3328(4) 0.7146(2) 0.0149(14) Uani 1 1 d . U . . .
H30 H 0.325189 0.328146 0.689191 0.018 Uiso 1 1 calc R . . . .
C31 C 0.1398(4) 0.6457(3) 0.6388(2) 0.0117(12) Uani 1 1 d . U . . .
C32 C 0.0621(5) 0.6556(4) 0.6537(2) 0.0182(14) Uani 1 1 d . U . . .
C33 C 0.0148(5) 0.6081(4) 0.6730(2) 0.0195(15) Uani 1 1 d . U . . .
H33 H -0.040529 0.616256 0.678252 0.023 Uiso 1 1 calc R . . . .
N20 N 0.0445(4) 0.5553(3) 0.68321(18) 0.0152(12) Uani 1 1 d . U . . .
C35 C 0.0196(5) 0.4646(4) 0.7165(2) 0.0169(13) Uani 1 1 d . U . . .
C36 C -0.0411(5) 0.4212(5) 0.7364(3) 0.0243(16) Uani 1 1 d . U . . .
H36 H -0.033916 0.377835 0.726576 0.029 Uiso 1 1 calc R . . . .
C37 C -0.0255(5) 0.4226(4) 0.7788(3) 0.0264(16) Uani 1 1 d . U . . .
C38 C -0.0722(7) 0.4593(5) 0.8027(3) 0.040(2) Uani 1 1 d . U . . .
H38 H -0.116467 0.482047 0.792383 0.048 Uiso 1 1 calc R . . . .
C39 C -0.0549(8) 0.4632(7) 0.8415(3) 0.054(3) Uani 1 1 d . U . . .
H39 H -0.087942 0.487831 0.857877 0.065 Uiso 1 1 calc R . . . .
C40 C 0.0106(8) 0.4312(7) 0.8567(3) 0.057(3) Uani 1 1 d . U . . .
H40 H 0.023931 0.435075 0.883163 0.068 Uiso 1 1 calc R . . . .
C41 C 0.0561(8) 0.3937(7) 0.8329(3) 0.057(3) Uani 1 1 d . U . . .
H41 H 0.099186 0.369799 0.843267 0.068 Uiso 1 1 calc R . . . .
C42 C 0.0393(6) 0.3904(5) 0.7937(3) 0.037(2) Uani 1 1 d . U . . .
H42 H 0.072530 0.366086 0.777310 0.045 Uiso 1 1 calc R . . . .
C43 C 0.0239(6) 0.7143(4) 0.6483(3) 0.0272(17) Uani 1 1 d . U . . .
H43 H -0.029505 0.720549 0.657525 0.033 Uiso 1 1 calc R . . . .
C44 C 0.0630(6) 0.7616(4) 0.6300(3) 0.0334(19) Uani 1 1 d . U . . .
H44 H 0.036696 0.800392 0.626315 0.040 Uiso 1 1 calc R . . . .
C45 C 0.1423(6) 0.7526(4) 0.6166(3) 0.0282(18) Uani 1 1 d . U . . .
H45 H 0.170297 0.785824 0.604516 0.034 Uiso 1 1 calc R . . . .
C46 C 0.1799(5) 0.6957(4) 0.6210(2) 0.0189(15) Uani 1 1 d . U . . .
H46 H 0.233529 0.690189 0.611837 0.023 Uiso 1 1 calc R . . . .
C47 C 0.4529(4) 0.3645(3) 0.6326(2) 0.0118(12) Uani 1 1 d . U . . .
C48 C 0.5320(5) 0.3508(4) 0.6441(2) 0.0144(13) Uani 1 1 d . U . . .
C49 C 0.5844(5) 0.3963(4) 0.6629(2) 0.0168(14) Uani 1 1 d . U . . .
H49 H 0.639911 0.386313 0.666117 0.020 Uiso 1 1 calc R . . . .
C50 C 0.5928(5) 0.5372(4) 0.7099(2) 0.0183(14) Uani 1 1 d . U . . .
C51 C 0.6574(9) 0.5741(8) 0.7301(4) 0.021(2) Uani 0.658(17) 1 d . U P A 1
H51 H 0.666466 0.613410 0.715364 0.026 Uiso 0.658(17) 1 calc R . P A 1
C52 C 0.6287(9) 0.5913(8) 0.7702(5) 0.024(2) Uani 0.658(17) 1 d . U P A 1
C53 C 0.5789(11) 0.6429(9) 0.7764(6) 0.025(3) Uani 0.658(17) 1 d . U P A 1
H53 H 0.564835 0.668479 0.755108 0.031 Uiso 0.658(17) 1 calc R . P A 1
C54 C 0.5499(10) 0.6579(8) 0.8121(5) 0.031(3) Uani 0.658(17) 1 d . U P A 1
H54 H 0.520311 0.695140 0.816191 0.037 Uiso 0.658(17) 1 calc R . P A 1
C55 C 0.5653(10) 0.6160(8) 0.8426(5) 0.034(3) Uani 0.658(17) 1 d . U P A 1
H55 H 0.543038 0.624175 0.867269 0.041 Uiso 0.658(17) 1 calc R . P A 1
C56 C 0.6121(11) 0.5637(8) 0.8372(4) 0.034(3) Uani 0.658(17) 1 d . U P A 1
H56 H 0.621686 0.535851 0.857929 0.040 Uiso 0.658(17) 1 calc R . P A 1
C57 C 0.6453(9) 0.5519(7) 0.8007(4) 0.030(2) Uani 0.658(17) 1 d . U P A 1
H57 H 0.679294 0.516847 0.797014 0.036 Uiso 0.658(17) 1 calc R . P A 1
C58 C 0.5661(5) 0.2924(4) 0.6356(2) 0.0215(15) Uani 1 1 d . U . . .
H58 H 0.619954 0.283856 0.643492 0.026 Uiso 1 1 calc R . . . .
C59 C 0.5232(6) 0.2475(4) 0.6163(3) 0.0261(16) Uani 1 1 d . U . . .
H59 H 0.547384 0.208687 0.610151 0.031 Uiso 1 1 calc R . . . .
C60 C 0.4434(6) 0.2603(4) 0.6057(3) 0.0247(16) Uani 1 1 d . U . . .
H60 H 0.412456 0.229288 0.592979 0.030 Uiso 1 1 calc R . . . .
C61 C 0.4088(5) 0.3174(3) 0.6137(2) 0.0195(15) Uani 1 1 d . U . . .
H61 H 0.354383 0.325043 0.606242 0.023 Uiso 1 1 calc R . . . .
C62 C 0.5074(4) 0.5996(3) 0.6357(2) 0.0113(12) Uani 1 1 d . U . . .
C63 C 0.5840(5) 0.5937(4) 0.6178(2) 0.0156(13) Uani 1 1 d . U . . .
C64 C 0.6095(5) 0.5376(4) 0.5975(2) 0.0188(15) Uani 1 1 d . U . . .
H64 H 0.665088 0.533319 0.591092 0.023 Uiso 1 1 calc R . . . .
C65 C 0.5449(5) 0.4029(4) 0.5535(2) 0.0160(13) Uani 1 1 d . U . . .
C66 C 0.5831(6) 0.3482(4) 0.5327(3) 0.0256(15) Uani 1 1 d . U . . .
H66 H 0.565660 0.308697 0.545454 0.031 Uiso 1 1 calc R . . . .
C67 C 0.5542(6) 0.3479(5) 0.4915(3) 0.0342(17) Uani 1 1 d . U . . .
C68 C 0.503(2) 0.3082(17) 0.4745(10) 0.041(4) Uani 0.45(5) 1 d . U P B 1
H68 H 0.481550 0.275605 0.489688 0.049 Uiso 0.45(5) 1 calc R . P B 1
C69 C 0.480(2) 0.311(2) 0.4354(11) 0.049(5) Uani 0.45(5) 1 d . U P B 1
H69 H 0.452347 0.277517 0.423443 0.059 Uiso 0.45(5) 1 calc R . P B 1
C70 C 0.498(2) 0.366(2) 0.4147(10) 0.054(6) Uani 0.45(5) 1 d . U P B 1
H70 H 0.486918 0.367629 0.387917 0.065 Uiso 0.45(5) 1 calc R . P B 1
C71 C 0.529(2) 0.4104(19) 0.4299(9) 0.047(5) Uani 0.45(5) 1 d . U P B 1
H71 H 0.535027 0.448804 0.416796 0.056 Uiso 0.45(5) 1 calc R . P B 1
C72 C 0.553(2) 0.4028(17) 0.4677(9) 0.041(4) Uani 0.45(5) 1 d . U P B 1
H72 H 0.573002 0.439451 0.479825 0.050 Uiso 0.45(5) 1 calc R . P B 1
C73 C 0.6389(5) 0.6435(4) 0.6193(2) 0.0233(16) Uani 1 1 d . U . . .
H73 H 0.689853 0.639664 0.606913 0.028 Uiso 1 1 calc R . . . .
C74 C 0.6205(5) 0.6973(4) 0.6382(3) 0.0281(17) Uani 1 1 d . U . . .
H74 H 0.658336 0.730506 0.638934 0.034 Uiso 1 1 calc R . . . .
C75 C 0.5460(6) 0.7029(4) 0.6564(3) 0.0254(17) Uani 1 1 d . U . . .
H75 H 0.533217 0.740069 0.669880 0.030 Uiso 1 1 calc R . . . .
C76 C 0.4906(5) 0.6551(4) 0.6550(2) 0.0180(14) Uani 1 1 d . U . . .
H76 H 0.439823 0.660008 0.667422 0.022 Uiso 1 1 calc R . . . .
C77 C 0.3180(5) 0.6305(4) 0.5568(2) 0.0141(13) Uani 1 1 d . U . . .
C78 C 0.2829(5) 0.6444(4) 0.5207(2) 0.0196(14) Uani 1 1 d . U . . .
C79 C 0.2361(5) 0.5997(4) 0.4995(2) 0.0213(15) Uani 1 1 d . U . . .
H79 H 0.223823 0.608493 0.473377 0.026 Uiso 1 1 calc R . . . .
C80 C 0.1275(5) 0.4634(4) 0.5035(2) 0.0214(15) Uani 1 1 d . U . . .
C81 C 0.0940(6) 0.4170(5) 0.4745(2) 0.0265(16) Uani 1 1 d . U . . .
H81 H 0.126107 0.378155 0.478432 0.032 Uiso 0.48(4) 1 calc R . P C 1
H81A H 0.117807 0.374980 0.479208 0.032 Uiso 0.52(4) 1 calc R . P C 2
C82 C 0.0064(18) 0.3980(15) 0.4799(9) 0.030(4) Uani 0.48(4) 1 d . U P C 1
C83 C -0.0464(17) 0.4193(16) 0.4533(9) 0.035(5) Uani 0.48(4) 1 d . U P C 1
H83 H -0.027750 0.444188 0.432501 0.043 Uiso 0.48(4) 1 calc R . P C 1
C84 C -0.1311(16) 0.4041(17) 0.4565(8) 0.043(5) Uani 0.48(4) 1 d . U P C 1
H84 H -0.168244 0.417535 0.437356 0.051 Uiso 0.48(4) 1 calc R . P C 1
C85 C -0.1576(16) 0.3701(17) 0.4874(8) 0.047(5) Uani 0.48(4) 1 d . U P C 1
H85 H -0.213333 0.360346 0.490363 0.056 Uiso 0.48(4) 1 calc R . P C 1
C86 C -0.1022(15) 0.3507(15) 0.5136(7) 0.038(5) Uani 0.48(4) 1 d . U P C 1
H86 H -0.119581 0.327777 0.535444 0.046 Uiso 0.48(4) 1 calc R . P C 1
C87 C -0.0202(17) 0.3639(14) 0.5090(9) 0.035(5) Uani 0.48(4) 1 d . U P C 1
H87 H 0.017467 0.348105 0.527209 0.042 Uiso 0.48(4) 1 calc R . P C 1
C88 C 0.2964(5) 0.7041(4) 0.5048(3) 0.0270(17) Uani 1 1 d . U . . .
H88 H 0.271917 0.714138 0.480868 0.032 Uiso 1 1 calc R . . . .
C89 C 0.3431(6) 0.7479(5) 0.5225(3) 0.0314(19) Uani 1 1 d . U . . .
H89 H 0.350979 0.787556 0.511112 0.038 Uiso 1 1 calc R . . . .
C90 C 0.3790(5) 0.7336(4) 0.5576(3) 0.0258(17) Uani 1 1 d . U . . .
H90 H 0.412075 0.763465 0.570154 0.031 Uiso 1 1 calc R . . . .
C91 C 0.3668(5) 0.6756(4) 0.5744(2) 0.0194(15) Uani 1 1 d . U . . .
H91 H 0.391939 0.666472 0.598282 0.023 Uiso 1 1 calc R . . . .
C92 C 0.4574(5) 0.5710(4) 0.5075(2) 0.0206(14) Uani 1 1 d . U . . .
C93 C 0.3467(5) 0.4381(5) 0.4922(2) 0.0244(16) Uani 1 1 d . U . . .
H93 H 0.353506 0.437253 0.465054 0.029 Uiso 1 1 calc R . . . .
C94 C 0.3024(5) 0.3880(4) 0.5103(2) 0.0223(15) Uani 1 1 d . U . . .
C95 C 0.2711(5) 0.3912(4) 0.5485(2) 0.0161(14) Uani 1 1 d . U . . .
C96 C 0.2230(5) 0.3424(4) 0.5622(3) 0.0255(17) Uani 1 1 d . U . . .
H96 H 0.200421 0.344842 0.587276 0.031 Uiso 1 1 calc R . . . .
C97 C 0.2078(6) 0.2906(5) 0.5395(3) 0.038(2) Uani 1 1 d . U . . .
H97 H 0.174773 0.258042 0.549166 0.045 Uiso 1 1 calc R . . . .
C98 C 0.2412(7) 0.2860(6) 0.5023(3) 0.046(3) Uani 1 1 d . U . . .
H98 H 0.233018 0.249734 0.487209 0.055 Uiso 1 1 calc R . . . .
C99 C 0.2856(6) 0.3349(5) 0.4882(3) 0.039(2) Uani 1 1 d . U . . .
H99 H 0.305662 0.332705 0.462594 0.047 Uiso 1 1 calc R . . . .
C100 C 0.4930(6) 0.6229(5) 0.4836(3) 0.0325(17) Uani 1 1 d . U . . .
H100 H 0.480524 0.663710 0.496009 0.039 Uiso 1 1 calc R . . . .
C101 C 0.5841(6) 0.6137(4) 0.4822(3) 0.0257(15) Uani 1 1 d . U . . .
C102 C 0.6180(16) 0.5957(12) 0.4482(8) 0.027(4) Uani 0.52(4) 1 d . U P D 1
H102 H 0.584635 0.588544 0.426397 0.032 Uiso 0.52(4) 1 calc R . P D 1
C103 C 0.7012(14) 0.5879(13) 0.4454(7) 0.033(4) Uani 0.52(4) 1 d . U P D 1
H103 H 0.725816 0.569174 0.423660 0.040 Uiso 0.52(4) 1 calc R . P D 1
C104 C 0.7459(14) 0.6092(15) 0.4764(7) 0.041(5) Uani 0.52(4) 1 d . U P D 1
H104 H 0.803256 0.606955 0.475274 0.049 Uiso 0.52(4) 1 calc R . P D 1
C105 C 0.7087(15) 0.6342(16) 0.5097(8) 0.040(4) Uani 0.52(4) 1 d . U P D 1
H105 H 0.741042 0.648824 0.530417 0.048 Uiso 0.52(4) 1 calc R . P D 1
C106 C 0.6270(17) 0.6372(13) 0.5120(8) 0.031(4) Uani 0.52(4) 1 d . U P D 1
H106 H 0.600833 0.655147 0.533663 0.037 Uiso 0.52(4) 1 calc R . P D 1
C107 C 0.0368(5) 0.6066(4) 0.5623(2) 0.0145(13) Uani 1 1 d . U . . .
C108 C -0.0118(5) 0.4689(4) 0.6066(2) 0.0189(14) Uani 1 1 d . U . . .
H108 H -0.068694 0.472490 0.603262 0.023 Uiso 1 1 calc R . . . .
C109 C 0.0189(5) 0.4124(4) 0.6245(2) 0.0167(14) Uani 1 1 d . U . . .
C110 C 0.0977(4) 0.4077(3) 0.6387(2) 0.0119(12) Uani 1 1 d . U . . .
C111 C 0.1221(5) 0.3518(4) 0.6567(2) 0.0188(15) Uani 1 1 d . U . . .
H111 H 0.175708 0.347829 0.666197 0.023 Uiso 1 1 calc R . . . .
C112 C 0.0680(6) 0.3027(4) 0.6605(3) 0.0261(17) Uani 1 1 d . U . . .
H112 H 0.084901 0.265387 0.672673 0.031 Uiso 1 1 calc R . . . .
C113 C -0.0109(6) 0.3077(4) 0.6466(3) 0.0284(18) Uani 1 1 d . U . . .
H113 H -0.047712 0.274013 0.649129 0.034 Uiso 1 1 calc R . . . .
C114 C -0.0347(5) 0.3619(4) 0.6292(3) 0.0258(18) Uani 1 1 d . U . . .
H114 H -0.088633 0.365542 0.620040 0.031 Uiso 1 1 calc R . . . .
C115 C -0.0084(5) 0.6590(4) 0.5425(2) 0.0181(14) Uani 1 1 d . U . . .
H115 H 0.004539 0.699517 0.555124 0.022 Uiso 1 1 calc R . . . .
C116 C 0.0187(5) 0.6603(4) 0.5007(2) 0.0181(14) Uani 1 1 d . U . . .
C117 C -0.0062(6) 0.6144(5) 0.4756(3) 0.0286(18) Uani 1 1 d . U . . .
H117 H -0.041492 0.582493 0.484306 0.034 Uiso 1 1 calc R . . . .
C118 C 0.0202(7) 0.6146(5) 0.4373(3) 0.035(2) Uani 1 1 d . U . . .
H118 H 0.002990 0.582944 0.420075 0.042 Uiso 1 1 calc R . . . .
C119 C 0.0706(6) 0.6606(5) 0.4248(3) 0.0339(19) Uani 1 1 d . U . . .
H119 H 0.087148 0.661385 0.398648 0.041 Uiso 1 1 calc R . . . .
C120 C 0.0986(6) 0.7070(5) 0.4502(2) 0.0317(18) Uani 1 1 d . U . . .
H120 H 0.134957 0.738238 0.441488 0.038 Uiso 1 1 calc R . . . .
C121 C 0.0723(5) 0.7064(4) 0.4882(2) 0.0247(16) Uani 1 1 d . U . . .
H121 H 0.090684 0.737328 0.505589 0.030 Uiso 1 1 calc R . . . .
O25 O 0.3010(7) 0.5394(6) 0.4217(3) 0.022(2) Uani 0.5 1 d . U P E 1
O26 O 0.3171(7) 0.6514(6) 0.4154(3) 0.020(2) Uani 0.5 1 d . U P E 1
O27 O 0.2393(7) 0.5906(6) 0.3762(3) 0.028(2) Uani 0.5 1 d . U P E 1
N17 N 0.2854(9) 0.5980(7) 0.4041(4) 0.0228(19) Uani 0.5 1 d . U P E 1
O28 O 0.7544(10) 0.2507(7) 0.5893(4) 0.114(5) Uani 1 1 d . U . . .
O29 O 0.7868(6) 0.2711(5) 0.6488(3) 0.066(3) Uani 1 1 d . U . . .
O30 O 0.7555(6) 0.3430(5) 0.6062(3) 0.058(2) Uani 1 1 d . U . . .
N18 N 0.7669(6) 0.2872(5) 0.6144(3) 0.049(2) Uani 1 1 d . U . . .
O31 O 0.1901(8) 0.3632(5) 0.3893(3) 0.090(4) Uani 1 1 d . U . . .
H31A H 0.235278 0.381973 0.382394 0.135 Uiso 1 1 d R . . . .
H31B H 0.207718 0.325343 0.392094 0.135 Uiso 1 1 d R . . . .
O32 O 0.0975(6) 0.5123(4) 0.3646(2) 0.057(2) Uani 1 1 d . U . . .
H32A H 0.088687 0.487928 0.383087 0.085 Uiso 1 1 d R . . . .
H32B H 0.135997 0.535558 0.373667 0.085 Uiso 1 1 d R . . . .
O33 O 0.2985(9) 0.4595(7) 0.3681(3) 0.107(5) Uani 1 1 d . U . . .
H33A H 0.329698 0.463679 0.385972 0.160 Uiso 1 1 d R . . . .
H33B H 0.263728 0.485789 0.378072 0.160 Uiso 1 1 d R . . . .
C122 C 0.7136(14) 0.3845(18) 0.3772(9) 0.061(7) Uani 0.5 1 d . U P . .
N21 N 0.7051(13) 0.4312(16) 0.3838(8) 0.073(7) Uani 0.5 1 d . U P . .
C124 C 0.7284(16) 0.3193(16) 0.3688(11) 0.080(9) Uani 0.5 1 d . U P . .
H12B H 0.684937 0.303323 0.352388 0.120 Uiso 0.5 1 calc GR . P . .
H12C H 0.729824 0.295678 0.392880 0.120 Uiso 0.5 1 calc GR . P . .
H12D H 0.780318 0.315035 0.355492 0.120 Uiso 0.5 1 calc GR . P . .
O35 O 0.8272(8) 0.5798(7) 0.6128(4) 0.039(3) Uani 0.5 1 d D U P F 1
N19 N 0.8283(11) 0.5945(7) 0.6421(5) 0.042(2) Uani 0.5 1 d D U P F 1
O34 O 0.8174(9) 0.6481(7) 0.6595(4) 0.040(3) Uani 0.5 1 d D U P F 1
O36 O 0.8266(10) 0.5486(8) 0.6659(5) 0.049(3) Uani 0.5 1 d D U P F 1
O38 O 0.7783(8) 0.4607(9) 0.5659(6) 0.175(10) Uani 1 1 d . U . . .
H38A H 0.795868 0.498081 0.564009 0.262 Uiso 1 1 d R . . . .
H38B H 0.775008 0.461931 0.591109 0.262 Uiso 1 1 d R . . . .
C125 C 0.7808(13) 0.4338(11) 0.6656(6) 0.039(3) Uani 0.5 1 d . U P G 2
N23 N 0.7773(12) 0.4720(10) 0.6478(6) 0.050(4) Uani 0.5 1 d . U P G 2
C126 C 0.7878(15) 0.3775(12) 0.6882(8) 0.051(4) Uani 0.5 1 d . U P G 2
H12E H 0.794047 0.341740 0.670997 0.076 Uiso 0.5 1 calc GR . P G 2
H12F H 0.738930 0.372167 0.703812 0.076 Uiso 0.5 1 calc GR . P G 2
H12G H 0.835090 0.380541 0.705068 0.076 Uiso 0.5 1 calc GR . P G 2
O39 O 0.8286(8) 0.7107(10) 0.5996(5) 0.179(9) Uani 1 1 d . U . . .
H39A H 0.817526 0.696408 0.621277 0.269 Uiso 1 1 d R . . . .
H39B H 0.819556 0.751028 0.602657 0.269 Uiso 1 1 d R . . . .
C82A C 0.0018(16) 0.4142(11) 0.4784(7) 0.022(3) Uani 0.52(4) 1 d . U P C 2
C83A C -0.0498(15) 0.4407(13) 0.4528(7) 0.030(4) Uani 0.52(4) 1 d . U P C 2
H83A H -0.029036 0.465251 0.432369 0.036 Uiso 0.52(4) 1 calc R . P C 2
C84A C -0.1316(14) 0.4322(15) 0.4563(7) 0.040(4) Uani 0.52(4) 1 d . U P C 2
H84A H -0.166044 0.448464 0.436844 0.048 Uiso 0.52(4) 1 calc R . P C 2
C85A C -0.1649(16) 0.4018(16) 0.4861(8) 0.048(5) Uani 0.52(4) 1 d . U P C 2
H85A H -0.221922 0.396946 0.487758 0.058 Uiso 0.52(4) 1 calc R . P C 2
C86A C -0.1144(15) 0.3775(16) 0.5148(8) 0.045(5) Uani 0.52(4) 1 d . U P C 2
H86A H -0.137471 0.357307 0.536504 0.054 Uiso 0.52(4) 1 calc R . P C 2
C87A C -0.0312(16) 0.3826(13) 0.5117(8) 0.035(4) Uani 0.52(4) 1 d . U P C 2
H87A H 0.003383 0.365784 0.530907 0.042 Uiso 0.52(4) 1 calc R . P C 2
C52A C 0.646(2) 0.594(2) 0.7630(11) 0.039(4) Uani 0.342(17) 1 d . U P A 2
C57A C 0.699(2) 0.5602(16) 0.7884(10) 0.043(4) Uani 0.342(17) 1 d . U P A 2
H57A H 0.746343 0.538099 0.781257 0.052 Uiso 0.342(17) 1 calc R . P A 2
C56A C 0.659(2) 0.5671(18) 0.8344(11) 0.047(5) Uani 0.342(17) 1 d . U P A 2
H56A H 0.673278 0.537733 0.853683 0.057 Uiso 0.342(17) 1 calc R . P A 2
C55A C 0.614(2) 0.6087(18) 0.8419(11) 0.048(5) Uani 0.342(17) 1 d . U P A 2
H55A H 0.609724 0.619682 0.868308 0.057 Uiso 0.342(17) 1 calc R . P A 2
C54A C 0.569(2) 0.6415(19) 0.8171(11) 0.045(4) Uani 0.342(17) 1 d . U P A 2
H54A H 0.525550 0.667226 0.825108 0.053 Uiso 0.342(17) 1 calc R . P A 2
C53A C 0.593(3) 0.635(2) 0.7755(15) 0.041(4) Uani 0.342(17) 1 d . U P A 2
H53A H 0.567841 0.661197 0.757280 0.049 Uiso 0.342(17) 1 calc R . P A 2
C51A C 0.655(2) 0.5919(17) 0.7201(10) 0.028(4) Uani 0.342(17) 1 d . U P A 2
H51A H 0.641681 0.632163 0.707191 0.034 Uiso 0.342(17) 1 calc R . P A 2
O14A O 0.7346(12) 0.5682(12) 0.7097(9) 0.040(6) Uani 0.342(17) 1 d . U P A 2
H14B H 0.755983 0.592072 0.693475 0.061 Uiso 0.342(17) 1 calc GR . P A 2
C68A C 0.5141(18) 0.2921(14) 0.4815(8) 0.044(4) Uani 0.55(5) 1 d . U P B 2
H68A H 0.509306 0.258725 0.499236 0.053 Uiso 0.55(5) 1 calc R . P B 2
C69A C 0.4813(16) 0.2877(16) 0.4440(8) 0.048(5) Uani 0.55(5) 1 d . U P B 2
H69A H 0.454071 0.250908 0.436205 0.058 Uiso 0.55(5) 1 calc R . P B 2
C70A C 0.4892(17) 0.3384(18) 0.4181(8) 0.052(5) Uani 0.55(5) 1 d . U P B 2
H70A H 0.460379 0.340004 0.394509 0.063 Uiso 0.55(5) 1 calc R . P B 2
C71A C 0.545(2) 0.3887(16) 0.4301(8) 0.053(5) Uani 0.55(5) 1 d . U P B 2
H71A H 0.559033 0.418949 0.411369 0.064 Uiso 0.55(5) 1 calc R . P B 2
C72A C 0.580(2) 0.3956(14) 0.4688(8) 0.046(4) Uani 0.55(5) 1 d . U P B 2
H72A H 0.615162 0.428158 0.476681 0.055 Uiso 0.55(5) 1 calc R . P B 2
C1A C 0.6251(18) 0.5790(15) 0.4516(9) 0.031(4) Uani 0.48(4) 1 d . U P D 2
H1A H 0.594956 0.563249 0.430450 0.038 Uiso 0.48(4) 1 calc R . P D 2
C1B C 0.7102(16) 0.5691(16) 0.4535(8) 0.037(4) Uani 0.48(4) 1 d . U P D 2
H1B H 0.737036 0.552149 0.431710 0.044 Uiso 0.48(4) 1 calc R . P D 2
C1C C 0.7534(15) 0.5826(16) 0.4845(7) 0.038(5) Uani 0.48(4) 1 d . U P D 2
H1C H 0.809569 0.573217 0.484953 0.046 Uiso 0.48(4) 1 calc R . P D 2
C1D C 0.7180(14) 0.6099(14) 0.5159(7) 0.031(4) Uani 0.48(4) 1 d . U P D 2
H1D H 0.749643 0.620367 0.537812 0.038 Uiso 0.48(4) 1 calc R . P D 2
C1E C 0.6363(18) 0.6221(16) 0.5154(9) 0.033(4) Uani 0.48(4) 1 d . U P D 2
H1E H 0.612238 0.637106 0.538444 0.039 Uiso 0.48(4) 1 calc R . P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.5851(6) . ?
Dy1 Dy4 3.5565(5) . ?
Dy1 O1 2.542(5) . ?
Dy1 O2 2.300(5) . ?
Dy1 O3 2.405(5) . ?
Dy1 O5 2.398(5) . ?
Dy1 O12 2.316(5) . ?
Dy1 O13 2.395(5) . ?
Dy1 O15 2.372(5) . ?
Dy1 N1 2.642(6) . ?
Dy1 N7 2.660(6) . ?
Dy2 Dy3 3.5504(5) . ?
Dy2 O1 2.496(5) . ?
Dy2 O2 2.403(5) . ?
Dy2 O5 2.324(5) . ?
Dy2 O6 2.392(5) . ?
Dy2 O8 2.400(5) . ?
Dy2 O9 2.301(5) . ?
Dy2 N3 2.614(6) . ?
Dy2 O37 2.426(5) . ?
Dy2 N20 2.633(6) . ?
Dy3 Dy4 3.5506(6) . ?
Dy3 O1 2.542(5) . ?
Dy3 O8 2.316(5) . ?
Dy3 O9 2.389(5) . ?
Dy3 O11 2.369(5) . ?
Dy3 O18 2.315(5) . ?
Dy3 O19 2.451(5) . ?
Dy3 O23 2.383(5) . ?
Dy3 N11 2.625(6) . ?
Dy3 N16 2.645(6) . ?
Dy4 O1 2.491(5) . ?
Dy4 O11 2.329(5) . ?
Dy4 O12 2.429(5) . ?
Dy4 O15 2.311(5) . ?
Dy4 O16 2.403(5) . ?
Dy4 O18 2.369(5) . ?
Dy4 O21 2.425(5) . ?
Dy4 N9 2.641(6) . ?
Dy4 N14 2.618(6) . ?
O2 C1 1.343(9) . ?
O3 C4 1.253(9) . ?
O4 C5 1.427(9) . ?
O5 C16 1.319(9) . ?
O6 C19 1.245(9) . ?
O7 C20 1.434(10) . ?
O8 C110 1.348(8) . ?
O9 C31 1.347(8) . ?
O10 C36 1.424(11) . ?
O11 C95 1.328(9) . ?
O12 C47 1.336(9) . ?
O13 C50 1.228(9) . ?
O14 C51 1.426(18) . ?
O15 C62 1.337(8) . ?
O16 C65 1.236(10) . ?
O17 C66 1.418(12) . ?
O18 C77 1.342(9) . ?
O19 C80 1.239(10) . ?
O20 C81 1.434(10) . ?
O21 C92 1.236(10) . ?
O22 C100 1.397(12) . ?
O23 C107 1.232(10) . ?
O24 C115 1.423(10) . ?
N1 N2 1.382(9) . ?
N1 C3 1.292(10) . ?
N2 C4 1.319(10) . ?
N3 N4 1.394(9) . ?
N3 C18 1.295(10) . ?
N4 C19 1.318(11) . ?
N5 N20 1.378(10) . ?
N5 C35 1.324(11) . ?
O37 C35 1.249(9) . ?
N7 N8 1.375(9) . ?
N7 C49 1.282(10) . ?
N8 C50 1.349(11) . ?
N9 N10 1.393(9) . ?
N9 C64 1.268(10) . ?
N10 C65 1.340(11) . ?
N11 N12 1.373(10) . ?
N11 C79 1.292(12) . ?
N12 C80 1.334(12) . ?
N13 N14 1.382(10) . ?
N13 C92 1.340(12) . ?
N14 C93 1.270(11) . ?
N15 N16 1.376(9) . ?
N15 C107 1.346(11) . ?
N16 C108 1.239(11) . ?
C1 C2 1.408(10) . ?
C1 C15 1.392(11) . ?
C2 C3 1.452(11) . ?
C2 C12 1.408(11) . ?
C4 C5 1.534(10) . ?
C5 C6 1.505(11) . ?
C6 C7 1.397(11) . ?
C6 C11 1.395(11) . ?
C7 C8 1.399(13) . ?
C8 C9 1.392(15) . ?
C9 C10 1.370(15) . ?
C10 C11 1.387(13) . ?
C12 C13 1.381(13) . ?
C13 C14 1.385(13) . ?
C14 C15 1.387(12) . ?
C16 C17 1.423(10) . ?
C16 C30 1.401(11) . ?
C17 C18 1.449(11) . ?
C17 C27 1.409(11) . ?
C19 C20 1.532(11) . ?
C20 C21 1.532(13) . ?
C21 C22 1.396(15) . ?
C21 C26 1.380(14) . ?
C22 C23 1.382(18) . ?
C23 C24 1.402(18) . ?
C24 C25 1.361(17) . ?
C25 C26 1.404(15) . ?
C27 C28 1.365(13) . ?
C28 C29 1.388(13) . ?
C29 C30 1.392(11) . ?
C31 C32 1.402(11) . ?
C31 C46 1.405(11) . ?
C32 C33 1.452(12) . ?
C32 C43 1.423(12) . ?
C33 N20 1.287(11) . ?
C35 C36 1.535(11) . ?
C36 C37 1.497(13) . ?
C37 C38 1.382(14) . ?
C37 C42 1.377(15) . ?
C38 C39 1.384(16) . ?
C39 C40 1.386(19) . ?
C40 C41 1.38(2) . ?
C41 C42 1.391(16) . ?
C43 C44 1.361(14) . ?
C44 C45 1.405(14) . ?
C45 C46 1.381(12) . ?
C47 C48 1.398(11) . ?
C47 C61 1.412(11) . ?
C48 C49 1.461(11) . ?
C48 C58 1.408(11) . ?
C50 C51 1.505(16) . ?
C50 C51A 1.60(3) . ?
C51 C52 1.52(2) . ?
C52 C53 1.40(2) . ?
C52 C57 1.39(2) . ?
C53 C54 1.37(3) . ?
C54 C55 1.42(2) . ?
C55 C56 1.38(2) . ?
C56 C57 1.41(2) . ?
C58 C59 1.374(13) . ?
C59 C60 1.397(14) . ?
C60 C61 1.383(12) . ?
C62 C63 1.415(11) . ?
C62 C76 1.399(11) . ?
C63 C64 1.460(11) . ?
C63 C73 1.404(11) . ?
C65 C66 1.519(11) . ?
C66 C67 1.510(13) . ?
C67 C68 1.34(3) . ?
C67 C72 1.44(4) . ?
C67 C68A 1.42(3) . ?
C67 C72A 1.36(3) . ?
C68 C69 1.42(4) . ?
C69 C70 1.41(5) . ?
C70 C71 1.20(5) . ?
C71 C72 1.39(4) . ?
C73 C74 1.364(13) . ?
C74 C75 1.390(13) . ?
C75 C76 1.378(12) . ?
C77 C78 1.417(11) . ?
C77 C91 1.403(12) . ?
C78 C79 1.437(13) . ?
C78 C88 1.415(12) . ?
C80 C81 1.522(11) . ?
C81 C82 1.52(3) . ?
C81 C82A 1.53(3) . ?
C82 C83 1.35(4) . ?
C82 C87 1.33(4) . ?
C83 C84 1.44(4) . ?
C84 C85 1.37(4) . ?
C85 C86 1.36(4) . ?
C86 C87 1.39(4) . ?
C88 C89 1.365(15) . ?
C89 C90 1.391(13) . ?
C90 C91 1.390(12) . ?
C92 C100 1.510(12) . ?
C93 C94 1.447(13) . ?
C94 C95 1.430(11) . ?
C94 C99 1.405(13) . ?
C95 C96 1.399(12) . ?
C96 C97 1.388(13) . ?
C97 C98 1.412(16) . ?
C98 C99 1.372(17) . ?
C100 C101 1.521(13) . ?
C101 C102 1.36(3) . ?
C101 C106 1.35(3) . ?
C101 C1A 1.47(3) . ?
C101 C1E 1.45(3) . ?
C102 C103 1.39(3) . ?
C103 C104 1.38(3) . ?
C104 C105 1.42(3) . ?
C105 C106 1.35(3) . ?
C107 C115 1.517(11) . ?
C108 C109 1.458(12) . ?
C109 C110 1.397(11) . ?
C109 C114 1.411(11) . ?
C110 C111 1.413(11) . ?
C111 C112 1.391(12) . ?
C112 C113 1.396(14) . ?
C113 C114 1.370(13) . ?
C115 C116 1.520(10) . ?
C116 C117 1.381(13) . ?
C116 C121 1.401(13) . ?
C117 C118 1.403(13) . ?
C118 C119 1.365(15) . ?
C119 C120 1.411(15) . ?
C120 C121 1.390(12) . ?
O25 N17 1.425(19) . ?
O26 N17 1.321(19) . ?
O27 N17 1.244(19) . ?
O28 N18 1.192(15) . ?
O29 N18 1.287(13) . ?
O30 N18 1.248(14) . ?
C122 N21 1.04(4) . ?
C122 C124 1.45(5) . ?
O35 N19 1.069(17) . ?
N19 O34 1.314(18) . ?
N19 O36 1.289(18) . ?
C125 N23 1.03(3) . ?
C125 C126 1.45(3) . ?
C82A C83A 1.36(3) . ?
C82A C87A 1.45(3) . ?
C83A C84A 1.37(3) . ?
C84A C85A 1.35(4) . ?
C85A C86A 1.40(4) . ?
C86A C87A 1.38(3) . ?
C52A C57A 1.44(5) . ?
C52A C53A 1.31(6) . ?
C52A C51A 1.50(5) . ?
C57A C56A 1.74(5) . ?
C56A C55A 1.19(5) . ?
C55A C54A 1.34(6) . ?
C54A C53A 1.50(6) . ?
C51A O14A 1.45(4) . ?
C68A C69A 1.41(3) . ?
C69A C70A 1.42(4) . ?
C70A C71A 1.48(4) . ?
C71A C72A 1.47(4) . ?
C1A C1B 1.42(4) . ?
C1B C1C 1.33(4) . ?
C1C C1D 1.37(3) . ?
C1D C1E 1.38(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy4 Dy1 Dy2 88.580(12) . . ?
O1 Dy1 Dy2 44.12(11) . . ?
O1 Dy1 Dy4 44.47(11) . . ?
O1 Dy1 N1 128.11(17) . . ?
O1 Dy1 N7 126.89(17) . . ?
O2 Dy1 Dy2 41.41(12) . . ?
O2 Dy1 Dy4 100.76(12) . . ?
O2 Dy1 O1 67.27(16) . . ?
O2 Dy1 O3 126.15(17) . . ?
O2 Dy1 O5 75.26(18) . . ?
O2 Dy1 O12 134.40(17) . . ?
O2 Dy1 O13 90.21(17) . . ?
O2 Dy1 O15 86.38(17) . . ?
O2 Dy1 N1 67.07(18) . . ?
O2 Dy1 N7 150.90(19) . . ?
O3 Dy1 Dy2 114.84(13) . . ?
O3 Dy1 Dy4 130.40(12) . . ?
O3 Dy1 O1 137.42(17) . . ?
O3 Dy1 N1 62.52(18) . . ?
O3 Dy1 N7 63.91(19) . . ?
O5 Dy1 Dy2 39.84(12) . . ?
O5 Dy1 Dy4 103.10(11) . . ?
O5 Dy1 O1 67.13(16) . . ?
O5 Dy1 O3 77.52(17) . . ?
O5 Dy1 N1 78.61(17) . . ?
O5 Dy1 N7 132.25(19) . . ?
O12 Dy1 Dy2 100.92(12) . . ?
O12 Dy1 Dy4 42.68(11) . . ?
O12 Dy1 O1 67.14(16) . . ?
O12 Dy1 O3 88.63(17) . . ?
O12 Dy1 O5 86.88(17) . . ?
O12 Dy1 O13 124.67(17) . . ?
O12 Dy1 O15 77.10(16) . . ?
O12 Dy1 N1 149.78(18) . . ?
O12 Dy1 N7 66.13(18) . . ?
O13 Dy1 Dy2 131.14(13) . . ?
O13 Dy1 Dy4 112.12(12) . . ?
O13 Dy1 O1 137.11(17) . . ?
O13 Dy1 O3 85.44(18) . . ?
O13 Dy1 O5 143.88(16) . . ?
O13 Dy1 N1 65.27(18) . . ?
O13 Dy1 N7 62.02(19) . . ?
O15 Dy1 Dy2 102.00(12) . . ?
O15 Dy1 Dy4 39.94(11) . . ?
O15 Dy1 O1 67.70(16) . . ?
O15 Dy1 O3 142.45(17) . . ?
O15 Dy1 O5 134.81(17) . . ?
O15 Dy1 O13 75.18(17) . . ?
O15 Dy1 N1 131.20(18) . . ?
O15 Dy1 N7 78.58(18) . . ?
N1 Dy1 Dy2 84.74(13) . . ?
N1 Dy1 Dy4 167.08(14) . . ?
N1 Dy1 N7 104.99(18) . . ?
N7 Dy1 Dy2 166.73(14) . . ?
N7 Dy1 Dy4 83.49(13) . . ?
Dy3 Dy2 Dy1 90.861(12) . . ?
O1 Dy2 Dy1 45.15(11) . . ?
O1 Dy2 Dy3 45.72(11) . . ?
O1 Dy2 N3 129.93(17) . . ?
O1 Dy2 N20 129.24(17) . . ?
O2 Dy2 Dy1 39.28(12) . . ?
O2 Dy2 Dy3 102.43(11) . . ?
O2 Dy2 O1 66.56(16) . . ?
O2 Dy2 N3 78.31(18) . . ?
O2 Dy2 O37 143.51(16) . . ?
O2 Dy2 N20 134.79(19) . . ?
O5 Dy2 Dy1 41.38(12) . . ?
O5 Dy2 Dy3 104.93(12) . . ?
O5 Dy2 O1 69.00(16) . . ?
O5 Dy2 O2 74.74(18) . . ?
O5 Dy2 O6 126.36(18) . . ?
O5 Dy2 O8 87.76(17) . . ?
O5 Dy2 N3 68.06(18) . . ?
O5 Dy2 O37 85.58(17) . . ?
O5 Dy2 N20 147.48(19) . . ?
O6 Dy2 Dy1 113.34(13) . . ?
O6 Dy2 Dy3 124.85(13) . . ?
O6 Dy2 O1 133.89(17) . . ?
O6 Dy2 O2 76.18(18) . . ?
O6 Dy2 O8 143.05(17) . . ?
O6 Dy2 N3 62.51(19) . . ?
O6 Dy2 O37 92.24(18) . . ?
O6 Dy2 N20 64.43(19) . . ?
O8 Dy2 Dy1 101.72(11) . . ?
O8 Dy2 Dy3 40.28(11) . . ?
O8 Dy2 O1 66.46(15) . . ?
O8 Dy2 O2 133.01(16) . . ?
O8 Dy2 N3 134.70(19) . . ?
O8 Dy2 O37 74.99(17) . . ?
O8 Dy2 N20 79.10(18) . . ?
O9 Dy2 Dy1 103.85(12) . . ?
O9 Dy2 Dy3 41.73(12) . . ?
O9 Dy2 O1 69.29(16) . . ?
O9 Dy2 O2 87.81(17) . . ?
O9 Dy2 O5 138.26(17) . . ?
O9 Dy2 O6 83.55(18) . . ?
O9 Dy2 O8 76.88(17) . . ?
O9 Dy2 N3 145.43(19) . . ?
O9 Dy2 O37 125.72(17) . . ?
O9 Dy2 N20 67.32(18) . . ?
N3 Dy2 Dy1 85.15(13) . . ?
N3 Dy2 Dy3 172.63(14) . . ?
N3 Dy2 N20 100.82(19) . . ?
O37 Dy2 Dy1 126.73(13) . . ?
O37 Dy2 Dy3 112.31(12) . . ?
O37 Dy2 O1 133.86(17) . . ?
O37 Dy2 N3 65.80(18) . . ?
O37 Dy2 N20 62.38(19) . . ?
N20 Dy2 Dy1 170.85(14) . . ?
N20 Dy2 Dy3 83.92(13) . . ?
Dy2 Dy3 Dy4 89.223(12) . . ?
O1 Dy3 Dy2 44.67(11) . . ?
O1 Dy3 Dy4 44.56(11) . . ?
O1 Dy3 N11 127.03(17) . . ?
O1 Dy3 N16 128.59(16) . . ?
O8 Dy3 Dy2 42.06(12) . . ?
O8 Dy3 Dy4 101.31(12) . . ?
O8 Dy3 O1 66.90(16) . . ?
O8 Dy3 O9 76.80(16) . . ?
O8 Dy3 O11 86.22(17) . . ?
O8 Dy3 O19 92.70(18) . . ?
O8 Dy3 O23 124.55(17) . . ?
O8 Dy3 N11 153.6(2) . . ?
O8 Dy3 N16 66.58(17) . . ?
O9 Dy3 Dy2 39.87(11) . . ?
O9 Dy3 Dy4 101.67(12) . . ?
O9 Dy3 O1 67.20(16) . . ?
O9 Dy3 O19 145.98(17) . . ?
O9 Dy3 N11 128.0(2) . . ?
O9 Dy3 N16 82.02(18) . . ?
O11 Dy3 Dy2 102.72(12) . . ?
O11 Dy3 Dy4 40.48(12) . . ?
O11 Dy3 O1 67.11(16) . . ?
O11 Dy3 O9 134.30(17) . . ?
O11 Dy3 O19 75.71(18) . . ?
O11 Dy3 O23 144.97(17) . . ?
O11 Dy3 N11 81.07(19) . . ?
O11 Dy3 N16 129.09(19) . . ?
O18 Dy3 Dy2 99.89(12) . . ?
O18 Dy3 Dy4 41.27(13) . . ?
O18 Dy3 O1 66.50(16) . . ?
O18 Dy3 O8 133.40(17) . . ?
O18 Dy3 O9 84.76(17) . . ?
O18 Dy3 O11 76.77(18) . . ?
O18 Dy3 O19 123.32(18) . . ?
O18 Dy3 O23 89.82(18) . . ?
O18 Dy3 N11 65.65(19) . . ?
O18 Dy3 N16 152.13(19) . . ?
O19 Dy3 Dy2 134.07(14) . . ?
O19 Dy3 Dy4 112.16(13) . . ?
O19 Dy3 O1 138.09(19) . . ?
O19 Dy3 N11 61.8(2) . . ?
O19 Dy3 N16 64.24(19) . . ?
O23 Dy3 Dy2 111.47(13) . . ?
O23 Dy3 Dy4 130.46(13) . . ?
O23 Dy3 O1 136.28(18) . . ?
O23 Dy3 O9 74.80(17) . . ?
O23 Dy3 O19 85.6(2) . . ?
O23 Dy3 N11 63.96(19) . . ?
O23 Dy3 N16 63.07(19) . . ?
N11 Dy3 Dy2 164.09(15) . . ?
N11 Dy3 Dy4 83.79(14) . . ?
N11 Dy3 N16 104.38(18) . . ?
N16 Dy3 Dy2 85.38(12) . . ?
N16 Dy3 Dy4 166.43(14) . . ?
Dy3 Dy4 Dy1 91.327(12) . . ?
O1 Dy4 Dy1 45.62(11) . . ?
O1 Dy4 Dy3 45.71(11) . . ?
O1 Dy4 N9 130.48(17) . . ?
O1 Dy4 N14 128.15(17) . . ?
O11 Dy4 Dy1 104.15(12) . . ?
O11 Dy4 Dy3 41.32(13) . . ?
O11 Dy4 O1 68.55(16) . . ?
O11 Dy4 O12 86.90(17) . . ?
O11 Dy4 O16 85.73(18) . . ?
O11 Dy4 O18 76.52(18) . . ?
O11 Dy4 O21 124.80(18) . . ?
O11 Dy4 N9 148.17(18) . . ?
O11 Dy4 N14 66.68(18) . . ?
O12 Dy4 Dy1 40.26(11) . . ?
O12 Dy4 Dy3 102.02(11) . . ?
O12 Dy4 O1 66.33(16) . . ?
O12 Dy4 N9 81.22(17) . . ?
O12 Dy4 N14 133.8(2) . . ?
O15 Dy4 Dy1 41.22(12) . . ?
O15 Dy4 Dy3 104.93(12) . . ?
O15 Dy4 O1 69.48(16) . . ?
O15 Dy4 O11 138.02(17) . . ?
O15 Dy4 O12 76.06(16) . . ?
O15 Dy4 O16 124.90(18) . . ?
O15 Dy4 O18 87.49(17) . . ?
O15 Dy4 O21 86.11(17) . . ?
O15 Dy4 N9 66.96(18) . . ?
O15 Dy4 N14 147.7(2) . . ?
O16 Dy4 Dy1 112.73(13) . . ?
O16 Dy4 Dy3 126.60(13) . . ?
O16 Dy4 O1 134.31(17) . . ?
O16 Dy4 O12 75.51(17) . . ?
O16 Dy4 O21 91.43(18) . . ?
O16 Dy4 N9 62.76(19) . . ?
O16 Dy4 N14 65.76(19) . . ?
O18 Dy4 Dy1 101.70(12) . . ?
O18 Dy4 Dy3 40.15(12) . . ?
O18 Dy4 O1 66.59(16) . . ?
O18 Dy4 O12 132.93(16) . . ?
O18 Dy4 O16 144.24(17) . . ?
O18 Dy4 O21 74.53(17) . . ?
O18 Dy4 N9 131.97(18) . . ?
O18 Dy4 N14 78.68(19) . . ?
O21 Dy4 Dy1 127.10(13) . . ?
O21 Dy4 Dy3 111.46(12) . . ?
O21 Dy4 O1 134.25(17) . . ?
O21 Dy4 O12 145.17(17) . . ?
O21 Dy4 N9 64.22(18) . . ?
O21 Dy4 N14 62.2(2) . . ?
N9 Dy4 Dy1 85.45(13) . . ?
N9 Dy4 Dy3 170.51(14) . . ?
N14 Dy4 Dy1 170.59(15) . . ?
N14 Dy4 Dy3 82.94(13) . . ?
N14 Dy4 N9 101.35(18) . . ?
Dy2 O1 Dy1 90.73(16) . . ?
Dy2 O1 Dy3 89.61(14) . . ?
Dy3 O1 Dy1 179.2(2) . . ?
Dy4 O1 Dy1 89.92(14) . . ?
Dy4 O1 Dy2 178.2(2) . . ?
Dy4 O1 Dy3 89.72(16) . . ?
Dy1 O2 Dy2 99.31(18) . . ?
C1 O2 Dy1 133.3(4) . . ?
C1 O2 Dy2 124.4(4) . . ?
C4 O3 Dy1 124.2(5) . . ?
Dy2 O5 Dy1 98.78(18) . . ?
C16 O5 Dy1 125.4(4) . . ?
C16 O5 Dy2 132.3(4) . . ?
C19 O6 Dy2 124.7(5) . . ?
Dy3 O8 Dy2 97.66(17) . . ?
C110 O8 Dy2 126.9(4) . . ?
C110 O8 Dy3 132.7(4) . . ?
Dy2 O9 Dy3 98.40(17) . . ?
C31 O9 Dy2 132.6(4) . . ?
C31 O9 Dy3 125.2(4) . . ?
Dy4 O11 Dy3 98.20(18) . . ?
C95 O11 Dy3 128.5(5) . . ?
C95 O11 Dy4 130.6(5) . . ?
Dy1 O12 Dy4 97.06(16) . . ?
C47 O12 Dy1 135.1(4) . . ?
C47 O12 Dy4 123.7(4) . . ?
C50 O13 Dy1 126.2(5) . . ?
Dy4 O15 Dy1 98.84(17) . . ?
C62 O15 Dy1 126.7(4) . . ?
C62 O15 Dy4 132.1(4) . . ?
C65 O16 Dy4 124.7(5) . . ?
Dy3 O18 Dy4 98.57(19) . . ?
C77 O18 Dy3 130.8(5) . . ?
C77 O18 Dy4 129.1(4) . . ?
C80 O19 Dy3 124.1(5) . . ?
C92 O21 Dy4 124.6(5) . . ?
C107 O23 Dy3 124.9(5) . . ?
N2 N1 Dy1 113.7(4) . . ?
C3 N1 Dy1 130.9(5) . . ?
C3 N1 N2 114.7(6) . . ?
C4 N2 N1 116.6(6) . . ?
N4 N3 Dy2 114.3(4) . . ?
C18 N3 Dy2 129.9(5) . . ?
C18 N3 N4 115.2(6) . . ?
C19 N4 N3 115.6(6) . . ?
C35 N5 N20 117.2(6) . . ?
C35 O37 Dy2 124.1(5) . . ?
N8 N7 Dy1 113.5(5) . . ?
C49 N7 Dy1 130.9(5) . . ?
C49 N7 N8 114.2(7) . . ?
C50 N8 N7 116.3(6) . . ?
N10 N9 Dy4 113.3(4) . . ?
C64 N9 Dy4 129.5(5) . . ?
C64 N9 N10 115.6(6) . . ?
C65 N10 N9 116.2(6) . . ?
N12 N11 Dy3 115.2(5) . . ?
C79 N11 Dy3 128.0(5) . . ?
C79 N11 N12 114.8(6) . . ?
C80 N12 N11 116.7(6) . . ?
C92 N13 N14 116.5(6) . . ?
N13 N14 Dy4 114.6(5) . . ?
C93 N14 Dy4 129.7(6) . . ?
C93 N14 N13 114.9(6) . . ?
C107 N15 N16 117.4(6) . . ?
N15 N16 Dy3 112.2(4) . . ?
C108 N16 Dy3 130.3(5) . . ?
C108 N16 N15 116.5(6) . . ?
O2 C1 C2 122.0(7) . . ?
O2 C1 C15 119.0(6) . . ?
C15 C1 C2 119.0(7) . . ?
C1 C2 C3 123.6(7) . . ?
C12 C2 C1 119.2(7) . . ?
C12 C2 C3 117.3(7) . . ?
N1 C3 C2 122.9(7) . . ?
O3 C4 N2 123.0(7) . . ?
O3 C4 C5 120.2(7) . . ?
N2 C4 C5 116.8(6) . . ?
O4 C5 C4 110.1(6) . . ?
O4 C5 C6 110.2(6) . . ?
C6 C5 C4 111.0(6) . . ?
C7 C6 C5 119.9(7) . . ?
C11 C6 C5 121.2(7) . . ?
C11 C6 C7 118.9(8) . . ?
C6 C7 C8 120.0(9) . . ?
C9 C8 C7 120.0(9) . . ?
C10 C9 C8 120.0(9) . . ?
C9 C10 C11 120.5(9) . . ?
C10 C11 C6 120.6(8) . . ?
C13 C12 C2 121.2(8) . . ?
C12 C13 C14 118.9(8) . . ?
C13 C14 C15 121.1(8) . . ?
C14 C15 C1 120.6(7) . . ?
O5 C16 C17 122.2(7) . . ?
O5 C16 C30 120.2(7) . . ?
C30 C16 C17 117.6(7) . . ?
C16 C17 C18 123.5(7) . . ?
C27 C17 C16 119.5(7) . . ?
C27 C17 C18 117.0(7) . . ?
N3 C18 C17 123.5(7) . . ?
O6 C19 N4 122.9(7) . . ?
O6 C19 C20 118.9(7) . . ?
N4 C19 C20 118.1(7) . . ?
O7 C20 C19 109.8(7) . . ?
O7 C20 C21 110.9(7) . . ?
C21 C20 C19 107.5(7) . . ?
C22 C21 C20 120.2(9) . . ?
C26 C21 C20 120.9(9) . . ?
C26 C21 C22 118.8(10) . . ?
C23 C22 C21 121.7(11) . . ?
C22 C23 C24 118.3(12) . . ?
C25 C24 C23 120.9(11) . . ?
C24 C25 C26 120.2(11) . . ?
C21 C26 C25 120.1(10) . . ?
C28 C27 C17 121.8(8) . . ?
C27 C28 C29 119.0(8) . . ?
C28 C29 C30 120.9(8) . . ?
C29 C30 C16 121.2(8) . . ?
O9 C31 C32 122.3(7) . . ?
O9 C31 C46 119.1(7) . . ?
C32 C31 C46 118.5(7) . . ?
C31 C32 C33 123.8(7) . . ?
C31 C32 C43 119.5(8) . . ?
C43 C32 C33 116.6(8) . . ?
N20 C33 C32 123.0(7) . . ?
N5 N20 Dy2 114.0(5) . . ?
C33 N20 Dy2 130.0(6) . . ?
C33 N20 N5 114.7(7) . . ?
N5 C35 C36 116.9(7) . . ?
O37 C35 N5 122.2(7) . . ?
O37 C35 C36 120.8(7) . . ?
O10 C36 C35 109.4(7) . . ?
O10 C36 C37 110.3(7) . . ?
C37 C36 C35 108.5(7) . . ?
C38 C37 C36 120.5(9) . . ?
C42 C37 C36 119.7(9) . . ?
C42 C37 C38 119.6(10) . . ?
C37 C38 C39 120.4(11) . . ?
C38 C39 C40 120.2(12) . . ?
C41 C40 C39 119.1(11) . . ?
C40 C41 C42 120.6(12) . . ?
C37 C42 C41 120.0(11) . . ?
C44 C43 C32 120.9(9) . . ?
C43 C44 C45 119.6(9) . . ?
C46 C45 C44 120.3(9) . . ?
C45 C46 C31 121.0(8) . . ?
O12 C47 C48 122.8(7) . . ?
O12 C47 C61 119.4(7) . . ?
C48 C47 C61 117.7(7) . . ?
C47 C48 C49 122.7(7) . . ?
C47 C48 C58 120.1(7) . . ?
C58 C48 C49 117.0(7) . . ?
N7 C49 C48 123.4(7) . . ?
O13 C50 N8 121.9(7) . . ?
O13 C50 C51 122.2(9) . . ?
O13 C50 C51A 115.5(14) . . ?
N8 C50 C51 115.8(9) . . ?
N8 C50 C51A 120.8(14) . . ?
O14 C51 C50 112.0(12) . . ?
O14 C51 C52 110.3(12) . . ?
C50 C51 C52 109.7(12) . . ?
C53 C52 C51 121.1(16) . . ?
C57 C52 C51 119.6(15) . . ?
C57 C52 C53 119.0(15) . . ?
C54 C53 C52 122.1(18) . . ?
C53 C54 C55 117.9(16) . . ?
C56 C55 C54 121.2(15) . . ?
C55 C56 C57 119.2(15) . . ?
C52 C57 C56 120.3(15) . . ?
C59 C58 C48 121.6(8) . . ?
C58 C59 C60 118.5(8) . . ?
C61 C60 C59 120.9(8) . . ?
C60 C61 C47 121.2(8) . . ?
O15 C62 C63 122.2(7) . . ?
O15 C62 C76 120.1(7) . . ?
C76 C62 C63 117.7(7) . . ?
C62 C63 C64 122.9(7) . . ?
C73 C63 C62 119.6(7) . . ?
C73 C63 C64 117.5(7) . . ?
N9 C64 C63 123.4(7) . . ?
O16 C65 N10 122.8(7) . . ?
O16 C65 C66 121.0(7) . . ?
N10 C65 C66 116.2(7) . . ?
O17 C66 C65 110.9(7) . . ?
O17 C66 C67 109.8(7) . . ?
C67 C66 C65 108.9(8) . . ?
C68 C67 C66 128.5(18) . . ?
C68 C67 C72 105(2) . . ?
C72 C67 C66 122.9(16) . . ?
C68A C67 C66 112.7(15) . . ?
C72A C67 C66 116.6(15) . . ?
C72A C67 C68A 130.0(19) . . ?
C67 C68 C69 125(3) . . ?
C70 C69 C68 118(3) . . ?
C71 C70 C69 122(3) . . ?
C70 C71 C72 117(3) . . ?
C71 C72 C67 130(3) . . ?
C74 C73 C63 121.3(8) . . ?
C73 C74 C75 119.4(8) . . ?
C76 C75 C74 120.5(8) . . ?
C75 C76 C62 121.5(8) . . ?
O18 C77 C78 121.5(7) . . ?
O18 C77 C91 120.0(7) . . ?
C91 C77 C78 118.4(7) . . ?
C77 C78 C79 122.2(8) . . ?
C88 C78 C77 118.3(8) . . ?
C88 C78 C79 119.5(7) . . ?
N11 C79 C78 123.7(7) . . ?
O19 C80 N12 121.7(8) . . ?
O19 C80 C81 122.9(8) . . ?
N12 C80 C81 115.4(7) . . ?
O20 C81 C80 109.0(7) . . ?
O20 C81 C82 114.4(13) . . ?
O20 C81 C82A 108.5(11) . . ?
C80 C81 C82A 109.3(12) . . ?
C82 C81 C80 116.3(14) . . ?
C83 C82 C81 116(2) . . ?
C87 C82 C81 124(2) . . ?
C87 C82 C83 120(3) . . ?
C82 C83 C84 120(3) . . ?
C85 C84 C83 119(3) . . ?
C86 C85 C84 118(3) . . ?
C85 C86 C87 121(3) . . ?
C82 C87 C86 122(3) . . ?
C89 C88 C78 122.6(8) . . ?
C88 C89 C90 119.0(8) . . ?
C91 C90 C89 120.3(9) . . ?
C90 C91 C77 121.4(8) . . ?
O21 C92 N13 121.5(8) . . ?
O21 C92 C100 121.7(8) . . ?
N13 C92 C100 116.7(7) . . ?
N14 C93 C94 122.8(7) . . ?
C95 C94 C93 123.6(8) . . ?
C99 C94 C93 117.8(8) . . ?
C99 C94 C95 118.5(9) . . ?
O11 C95 C94 120.7(7) . . ?
O11 C95 C96 120.1(7) . . ?
C96 C95 C94 119.1(7) . . ?
C97 C96 C95 120.8(9) . . ?
C96 C97 C98 120.5(10) . . ?
C99 C98 C97 118.9(9) . . ?
C98 C99 C94 122.1(10) . . ?
O22 C100 C92 112.4(8) . . ?
O22 C100 C101 108.2(8) . . ?
C92 C100 C101 108.0(7) . . ?
C102 C101 C100 118.1(14) . . ?
C106 C101 C100 116.4(14) . . ?
C106 C101 C102 123.7(18) . . ?
C1A C101 C100 123.2(15) . . ?
C1E C101 C100 123.0(15) . . ?
C1E C101 C1A 112(2) . . ?
C101 C102 C103 120(2) . . ?
C104 C103 C102 116(2) . . ?
C103 C104 C105 122(2) . . ?
C106 C105 C104 120(2) . . ?
C105 C106 C101 117(2) . . ?
O23 C107 N15 122.1(7) . . ?
O23 C107 C115 121.6(7) . . ?
N15 C107 C115 116.4(7) . . ?
N16 C108 C109 124.7(7) . . ?
C110 C109 C108 122.4(7) . . ?
C110 C109 C114 119.3(7) . . ?
C114 C109 C108 118.2(7) . . ?
O8 C110 C109 121.9(7) . . ?
O8 C110 C111 119.1(7) . . ?
C109 C110 C111 118.9(7) . . ?
C112 C111 C110 120.3(8) . . ?
C111 C112 C113 120.6(8) . . ?
C114 C113 C112 119.1(8) . . ?
C113 C114 C109 121.7(8) . . ?
O24 C115 C107 110.5(7) . . ?
O24 C115 C116 108.8(6) . . ?
C107 C115 C116 107.6(6) . . ?
C117 C116 C115 120.3(8) . . ?
C117 C116 C121 119.8(8) . . ?
C121 C116 C115 119.8(8) . . ?
C116 C117 C118 120.4(9) . . ?
C119 C118 C117 119.6(9) . . ?
C118 C119 C120 121.0(9) . . ?
C121 C120 C119 119.0(9) . . ?
C120 C121 C116 120.1(9) . . ?
O26 N17 O25 124.7(12) . . ?
O27 N17 O25 109.4(13) . . ?
O27 N17 O26 125.9(14) . . ?
O28 N18 O29 123.1(14) . . ?
O28 N18 O30 116.1(13) . . ?
O30 N18 O29 120.7(11) . . ?
N21 C122 C124 178(3) . . ?
O35 N19 O34 134.1(18) . . ?
O35 N19 O36 112.6(17) . . ?
O36 N19 O34 112.1(15) . . ?
N23 C125 C126 176(3) . . ?
C83A C82A C81 123(2) . . ?
C83A C82A C87A 119(2) . . ?
C87A C82A C81 117.6(19) . . ?
C82A C83A C84A 120(2) . . ?
C85A C84A C83A 122(2) . . ?
C84A C85A C86A 119(2) . . ?
C87A C86A C85A 120(2) . . ?
C86A C87A C82A 118(2) . . ?
C57A C52A C51A 122(3) . . ?
C53A C52A C57A 123(4) . . ?
C53A C52A C51A 115(4) . . ?
C52A C57A C56A 107(3) . . ?
C55A C56A C57A 120(3) . . ?
C56A C55A C54A 127(4) . . ?
C55A C54A C53A 115(4) . . ?
C52A C53A C54A 124(4) . . ?
C52A C51A C50 100(2) . . ?
O14A C51A C50 106(2) . . ?
O14A C51A C52A 111(3) . . ?
C69A C68A C67 118(2) . . ?
C68A C69A C70A 120(2) . . ?
C69A C70A C71A 116(2) . . ?
C72A C71A C70A 125(2) . . ?
C67 C72A C71A 109(2) . . ?
C1B C1A C101 120(2) . . ?
C1C C1B C1A 122(3) . . ?
C1B C1C C1D 121(2) . . ?
C1C C1D C1E 119(2) . . ?
C1D C1E C101 125(3) . . ?

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 O2 C1 C2 -51.8(9) . . . . ?
Dy1 O2 C1 C15 130.1(6) . . . . ?
Dy1 O3 C4 N2 -3.2(10) . . . . ?
Dy1 O3 C4 C5 177.6(5) . . . . ?
Dy1 O5 C16 C17 105.5(7) . . . . ?
Dy1 O5 C16 C30 -73.2(8) . . . . ?
Dy1 O12 C47 C48 -47.9(10) . . . . ?
Dy1 O12 C47 C61 135.6(6) . . . . ?
Dy1 O13 C50 N8 2.3(11) . . . . ?
Dy1 O13 C50 C51 -172.9(8) . . . . ?
Dy1 O13 C50 C51A 166.9(15) . . . . ?
Dy1 O15 C62 C63 109.9(7) . . . . ?
Dy1 O15 C62 C76 -69.7(8) . . . . ?
Dy1 N1 N2 C4 -2.0(8) . . . . ?
Dy1 N1 C3 C2 9.6(11) . . . . ?
Dy1 N7 N8 C50 -3.2(8) . . . . ?
Dy1 N7 C49 C48 14.5(11) . . . . ?
Dy2 O2 C1 C2 104.1(7) . . . . ?
Dy2 O2 C1 C15 -74.1(8) . . . . ?
Dy2 O5 C16 C17 -48.7(10) . . . . ?
Dy2 O5 C16 C30 132.6(6) . . . . ?
Dy2 O6 C19 N4 -0.8(11) . . . . ?
Dy2 O6 C19 C20 -176.9(5) . . . . ?
Dy2 O8 C110 C109 107.4(7) . . . . ?
Dy2 O8 C110 C111 -70.8(8) . . . . ?
Dy2 O9 C31 C32 -49.6(9) . . . . ?
Dy2 O9 C31 C46 132.2(6) . . . . ?
Dy2 N3 N4 C19 -2.7(8) . . . . ?
Dy2 N3 C18 C17 9.0(11) . . . . ?
Dy2 O37 C35 N5 0.8(10) . . . . ?
Dy2 O37 C35 C36 -177.2(5) . . . . ?
Dy3 O8 C110 C109 -49.4(9) . . . . ?
Dy3 O8 C110 C111 132.4(6) . . . . ?
Dy3 O9 C31 C32 103.3(7) . . . . ?
Dy3 O9 C31 C46 -74.9(8) . . . . ?
Dy3 O11 C95 C94 105.6(8) . . . . ?
Dy3 O11 C95 C96 -70.3(9) . . . . ?
Dy3 O18 C77 C78 -51.3(10) . . . . ?
Dy3 O18 C77 C91 130.1(6) . . . . ?
Dy3 O19 C80 N12 -8.8(11) . . . . ?
Dy3 O19 C80 C81 169.1(6) . . . . ?
Dy3 O23 C107 N15 6.2(10) . . . . ?
Dy3 O23 C107 C115 -172.5(5) . . . . ?
Dy3 N11 N12 C80 -1.0(8) . . . . ?
Dy3 N11 C79 C78 20.5(12) . . . . ?
Dy3 N16 C108 C109 11.1(11) . . . . ?
Dy4 O11 C95 C94 -51.3(10) . . . . ?
Dy4 O11 C95 C96 132.8(7) . . . . ?
Dy4 O12 C47 C48 103.6(7) . . . . ?
Dy4 O12 C47 C61 -72.8(8) . . . . ?
Dy4 O15 C62 C63 -49.0(9) . . . . ?
Dy4 O15 C62 C76 131.5(6) . . . . ?
Dy4 O16 C65 N10 2.9(11) . . . . ?
Dy4 O16 C65 C66 -176.6(5) . . . . ?
Dy4 O18 C77 C78 111.4(7) . . . . ?
Dy4 O18 C77 C91 -67.2(9) . . . . ?
Dy4 O21 C92 N13 -9.6(11) . . . . ?
Dy4 O21 C92 C100 171.6(6) . . . . ?
Dy4 N9 N10 C65 -4.0(8) . . . . ?
Dy4 N9 C64 C63 15.3(11) . . . . ?
Dy4 N14 C93 C94 14.7(12) . . . . ?
O2 C1 C2 C3 3.6(12) . . . . ?
O2 C1 C2 C12 -175.5(8) . . . . ?
O2 C1 C15 C14 177.6(8) . . . . ?
O3 C4 C5 O4 -140.1(7) . . . . ?
O3 C4 C5 C6 97.6(8) . . . . ?
O4 C5 C6 C7 15.7(10) . . . . ?
O4 C5 C6 C11 -166.6(7) . . . . ?
O5 C16 C17 C18 0.0(12) . . . . ?
O5 C16 C17 C27 -177.8(7) . . . . ?
O5 C16 C30 C29 179.2(7) . . . . ?
O6 C19 C20 O7 -173.8(7) . . . . ?
O6 C19 C20 C21 65.4(10) . . . . ?
O7 C20 C21 C22 -47.6(12) . . . . ?
O7 C20 C21 C26 136.1(9) . . . . ?
O8 C110 C111 C112 177.5(7) . . . . ?
O9 C31 C32 C33 2.3(12) . . . . ?
O9 C31 C32 C43 -174.1(7) . . . . ?
O9 C31 C46 C45 175.3(7) . . . . ?
O10 C36 C37 C38 -20.8(12) . . . . ?
O10 C36 C37 C42 163.7(9) . . . . ?
O11 C95 C96 C97 178.0(8) . . . . ?
O12 C47 C48 C49 1.5(11) . . . . ?
O12 C47 C48 C58 -174.4(7) . . . . ?
O12 C47 C61 C60 174.8(7) . . . . ?
O13 C50 C51 O14 165.3(10) . . . . ?
O13 C50 C51 C52 42.5(16) . . . . ?
O13 C50 C51A C52A 75(3) . . . . ?
O13 C50 C51A O14A -170.4(18) . . . . ?
O14 C51 C52 C53 153.3(16) . . . . ?
O14 C51 C52 C57 -33.2(19) . . . . ?
O15 C62 C63 C64 -0.9(11) . . . . ?
O15 C62 C63 C73 179.0(7) . . . . ?
O15 C62 C76 C75 -179.8(7) . . . . ?
O16 C65 C66 O17 -179.9(7) . . . . ?
O16 C65 C66 C67 59.2(10) . . . . ?
O17 C66 C67 C68 129(2) . . . . ?
O17 C66 C67 C72 -75(2) . . . . ?
O17 C66 C67 C68A 117.0(15) . . . . ?
O17 C66 C67 C72A -54.0(19) . . . . ?
O18 C77 C78 C79 -2.4(12) . . . . ?
O18 C77 C78 C88 179.1(7) . . . . ?
O18 C77 C91 C90 -179.6(7) . . . . ?
O19 C80 C81 O20 178.7(8) . . . . ?
O19 C80 C81 C82 47.6(17) . . . . ?
O19 C80 C81 C82A 60.2(14) . . . . ?
O20 C81 C82 C83 -19(3) . . . . ?
O20 C81 C82 C87 163(2) . . . . ?
O20 C81 C82A C83A -14(3) . . . . ?
O20 C81 C82A C87A 167.6(18) . . . . ?
O21 C92 C100 O22 -172.3(8) . . . . ?
O21 C92 C100 C101 68.5(11) . . . . ?
O22 C100 C101 C102 -12.3(17) . . . . ?
O22 C100 C101 C106 153.3(15) . . . . ?
O22 C100 C101 C1A -29.4(19) . . . . ?
O22 C100 C101 C1E 168.8(18) . . . . ?
O23 C107 C115 O24 176.8(7) . . . . ?
O23 C107 C115 C116 58.1(10) . . . . ?
O24 C115 C116 C117 -47.2(10) . . . . ?
O24 C115 C116 C121 135.9(8) . . . . ?
N1 N2 C4 O3 3.4(11) . . . . ?
N1 N2 C4 C5 -177.3(6) . . . . ?
N2 N1 C3 C2 179.4(7) . . . . ?
N2 C4 C5 O4 40.6(9) . . . . ?
N2 C4 C5 C6 -81.6(8) . . . . ?
N3 N4 C19 O6 2.4(11) . . . . ?
N3 N4 C19 C20 178.5(7) . . . . ?
N4 N3 C18 C17 179.0(7) . . . . ?
N4 C19 C20 O7 9.9(11) . . . . ?
N4 C19 C20 C21 -110.8(9) . . . . ?
N5 C35 C36 O10 8.3(11) . . . . ?
N5 C35 C36 C37 -112.0(8) . . . . ?
O37 C35 C36 O10 -173.6(7) . . . . ?
O37 C35 C36 C37 66.1(10) . . . . ?
N7 N8 C50 O13 1.0(11) . . . . ?
N7 N8 C50 C51 176.5(9) . . . . ?
N7 N8 C50 C51A -162.8(16) . . . . ?
N8 N7 C49 C48 180.0(7) . . . . ?
N8 C50 C51 O14 -10.2(15) . . . . ?
N8 C50 C51 C52 -133.0(12) . . . . ?
N8 C50 C51A C52A -121(2) . . . . ?
N8 C50 C51A O14A -6(3) . . . . ?
N9 N10 C65 O16 1.2(11) . . . . ?
N9 N10 C65 C66 -179.2(6) . . . . ?
N10 N9 C64 C63 179.5(7) . . . . ?
N10 C65 C66 O17 0.5(10) . . . . ?
N10 C65 C66 C67 -120.4(8) . . . . ?
N11 N12 C80 O19 6.1(12) . . . . ?
N11 N12 C80 C81 -171.9(7) . . . . ?
N12 N11 C79 C78 -176.5(7) . . . . ?
N12 C80 C81 O20 -3.2(11) . . . . ?
N12 C80 C81 C82 -134.4(15) . . . . ?
N12 C80 C81 C82A -121.8(12) . . . . ?
N13 N14 C93 C94 -176.7(8) . . . . ?
N13 C92 C100 O22 8.8(12) . . . . ?
N13 C92 C100 C101 -110.4(9) . . . . ?
N14 N13 C92 O21 4.8(12) . . . . ?
N14 N13 C92 C100 -176.3(7) . . . . ?
N14 C93 C94 C95 16.0(14) . . . . ?
N14 C93 C94 C99 -167.8(9) . . . . ?
N15 N16 C108 C109 178.4(7) . . . . ?
N15 C107 C115 O24 -2.0(10) . . . . ?
N15 C107 C115 C116 -120.7(8) . . . . ?
N16 N15 C107 O23 -0.7(11) . . . . ?
N16 N15 C107 C115 178.0(6) . . . . ?
N16 C108 C109 C110 14.9(12) . . . . ?
N16 C108 C109 C114 -168.2(8) . . . . ?
C1 C2 C3 N1 12.8(12) . . . . ?
C1 C2 C12 C13 -2.3(14) . . . . ?
C2 C1 C15 C14 -0.6(12) . . . . ?
C2 C12 C13 C14 -0.2(16) . . . . ?
C3 N1 N2 C4 -173.6(7) . . . . ?
C3 C2 C12 C13 178.5(9) . . . . ?
C4 C5 C6 C7 137.8(8) . . . . ?
C4 C5 C6 C11 -44.4(10) . . . . ?
C5 C6 C7 C8 179.2(9) . . . . ?
C5 C6 C11 C10 -178.6(8) . . . . ?
C6 C7 C8 C9 -1.6(17) . . . . ?
C7 C6 C11 C10 -0.8(13) . . . . ?
C7 C8 C9 C10 1.3(17) . . . . ?
C8 C9 C10 C11 -0.8(16) . . . . ?
C9 C10 C11 C6 0.6(14) . . . . ?
C11 C6 C7 C8 1.4(14) . . . . ?
C12 C2 C3 N1 -168.1(8) . . . . ?
C12 C13 C14 C15 2.3(16) . . . . ?
C13 C14 C15 C1 -1.9(14) . . . . ?
C15 C1 C2 C3 -178.3(7) . . . . ?
C15 C1 C2 C12 2.7(12) . . . . ?
C16 C17 C18 N3 16.1(12) . . . . ?
C16 C17 C27 C28 -1.7(12) . . . . ?
C17 C16 C30 C29 0.4(11) . . . . ?
C17 C27 C28 C29 0.9(13) . . . . ?
C18 N3 N4 C19 -174.3(7) . . . . ?
C18 C17 C27 C28 -179.6(8) . . . . ?
C19 C20 C21 C22 72.4(11) . . . . ?
C19 C20 C21 C26 -103.8(9) . . . . ?
C20 C21 C22 C23 -176.6(11) . . . . ?
C20 C21 C26 C25 176.5(9) . . . . ?
C21 C22 C23 C24 1.2(19) . . . . ?
C22 C21 C26 C25 0.2(14) . . . . ?
C22 C23 C24 C25 -2.1(18) . . . . ?
C23 C24 C25 C26 2.0(17) . . . . ?
C24 C25 C26 C21 -1.0(16) . . . . ?
C26 C21 C22 C23 -0.3(17) . . . . ?
C27 C17 C18 N3 -166.1(7) . . . . ?
C27 C28 C29 C30 0.5(13) . . . . ?
C28 C29 C30 C16 -1.2(13) . . . . ?
C30 C16 C17 C18 178.7(7) . . . . ?
C30 C16 C17 C27 1.0(11) . . . . ?
C31 C32 C33 N20 10.8(13) . . . . ?
C31 C32 C43 C44 -2.4(13) . . . . ?
C32 C31 C46 C45 -3.0(12) . . . . ?
C32 C33 N20 Dy2 14.6(12) . . . . ?
C32 C33 N20 N5 -179.0(7) . . . . ?
C32 C43 C44 C45 -0.6(14) . . . . ?
C33 C32 C43 C44 -179.0(9) . . . . ?
N20 N5 C35 O37 0.9(11) . . . . ?
N20 N5 C35 C36 179.0(7) . . . . ?
C35 N5 N20 Dy2 -1.9(8) . . . . ?
C35 N5 N20 C33 -170.6(7) . . . . ?
C35 C36 C37 C38 99.0(10) . . . . ?
C35 C36 C37 C42 -76.5(11) . . . . ?
C36 C37 C38 C39 -176.5(10) . . . . ?
C36 C37 C42 C41 177.4(10) . . . . ?
C37 C38 C39 C40 1.3(18) . . . . ?
C38 C37 C42 C41 1.8(15) . . . . ?
C38 C39 C40 C41 -2.5(19) . . . . ?
C39 C40 C41 C42 3.4(19) . . . . ?
C40 C41 C42 C37 -3.1(18) . . . . ?
C42 C37 C38 C39 -1.0(15) . . . . ?
C43 C32 C33 N20 -172.7(8) . . . . ?
C43 C44 C45 C46 1.8(14) . . . . ?
C44 C45 C46 C31 0.0(13) . . . . ?
C46 C31 C32 C33 -179.5(8) . . . . ?
C46 C31 C32 C43 4.1(11) . . . . ?
C47 C48 C49 N7 10.2(11) . . . . ?
C47 C48 C58 C59 -0.4(12) . . . . ?
C48 C47 C61 C60 -1.9(11) . . . . ?
C48 C58 C59 C60 -1.6(13) . . . . ?
C49 N7 N8 C50 -171.3(7) . . . . ?
C49 C48 C58 C59 -176.6(7) . . . . ?
C50 C51 C52 C53 -82.9(19) . . . . ?
C50 C51 C52 C57 90.7(17) . . . . ?
C51 C52 C53 C54 177.4(16) . . . . ?
C51 C52 C57 C56 -173.3(14) . . . . ?
C52 C53 C54 C55 -6(3) . . . . ?
C53 C52 C57 C56 0(2) . . . . ?
C53 C54 C55 C56 4(3) . . . . ?
C54 C55 C56 C57 0(3) . . . . ?
C55 C56 C57 C52 -2(2) . . . . ?
C57 C52 C53 C54 4(3) . . . . ?
C58 C48 C49 N7 -173.8(7) . . . . ?
C58 C59 C60 C61 1.8(13) . . . . ?
C59 C60 C61 C47 0.0(13) . . . . ?
C61 C47 C48 C49 178.0(7) . . . . ?
C61 C47 C48 C58 2.1(11) . . . . ?
C62 C63 C64 N9 13.3(12) . . . . ?
C62 C63 C73 C74 1.2(13) . . . . ?
C63 C62 C76 C75 0.7(11) . . . . ?
C63 C73 C74 C75 0.0(14) . . . . ?
C64 N9 N10 C65 -170.8(7) . . . . ?
C64 C63 C73 C74 -179.0(8) . . . . ?
C65 C66 C67 C68 -109(2) . . . . ?
C65 C66 C67 C72 47(2) . . . . ?
C65 C66 C67 C68A -121.4(15) . . . . ?
C65 C66 C67 C72A 67.6(19) . . . . ?
C66 C67 C68 C69 -180(2) . . . . ?
C66 C67 C72 C71 -179(3) . . . . ?
C66 C67 C68A C69A 177.3(19) . . . . ?
C66 C67 C72A C71A -178.7(16) . . . . ?
C67 C68 C69 C70 -13(5) . . . . ?
C67 C68A C69A C70A 0(4) . . . . ?
C68 C67 C72 C71 -19(4) . . . . ?
C68 C69 C70 C71 -5(5) . . . . ?
C69 C70 C71 C72 8(5) . . . . ?
C70 C71 C72 C67 5(5) . . . . ?
C72 C67 C68 C69 21(4) . . . . ?
C73 C63 C64 N9 -166.5(8) . . . . ?
C73 C74 C75 C76 -0.8(14) . . . . ?
C74 C75 C76 C62 0.5(13) . . . . ?
C76 C62 C63 C64 178.7(7) . . . . ?
C76 C62 C63 C73 -1.5(11) . . . . ?
C77 C78 C79 N11 13.0(13) . . . . ?
C77 C78 C88 C89 1.5(13) . . . . ?
C78 C77 C91 C90 1.8(12) . . . . ?
C78 C88 C89 C90 0.0(15) . . . . ?
C79 N11 N12 C80 -166.2(7) . . . . ?
C79 C78 C88 C89 -177.1(9) . . . . ?
C80 C81 C82 C83 110(3) . . . . ?
C80 C81 C82 C87 -69(3) . . . . ?
C80 C81 C82A C83A 105(2) . . . . ?
C80 C81 C82A C87A -74(2) . . . . ?
C81 C82 C83 C84 -179(2) . . . . ?
C81 C82 C87 C86 176(2) . . . . ?
C81 C82A C83A C84A 175(2) . . . . ?
C81 C82A C87A C86A -177(2) . . . . ?
C82 C83 C84 C85 2(4) . . . . ?
C83 C82 C87 C86 -2(5) . . . . ?
C83 C84 C85 C86 -1(4) . . . . ?
C84 C85 C86 C87 -1(4) . . . . ?
C85 C86 C87 C82 3(4) . . . . ?
C87 C82 C83 C84 -1(5) . . . . ?
C88 C78 C79 N11 -168.5(8) . . . . ?
C88 C89 C90 C91 -0.5(14) . . . . ?
C89 C90 C91 C77 -0.3(13) . . . . ?
C91 C77 C78 C79 176.2(8) . . . . ?
C91 C77 C78 C88 -2.3(12) . . . . ?
C92 N13 N14 Dy4 1.3(9) . . . . ?
C92 N13 N14 C93 -169.0(7) . . . . ?
C92 C100 C101 C102 109.6(15) . . . . ?
C92 C100 C101 C106 -84.8(16) . . . . ?
C92 C100 C101 C1A 92.5(18) . . . . ?
C92 C100 C101 C1E -69.3(19) . . . . ?
C93 C94 C95 O11 -1.6(13) . . . . ?
C93 C94 C95 C96 174.3(8) . . . . ?
C93 C94 C99 C98 -177.3(10) . . . . ?
C94 C95 C96 C97 2.1(14) . . . . ?
C95 C94 C99 C98 -0.9(16) . . . . ?
C95 C96 C97 C98 0.4(16) . . . . ?
C96 C97 C98 C99 -3.0(18) . . . . ?
C97 C98 C99 C94 3.3(18) . . . . ?
C99 C94 C95 O11 -177.8(8) . . . . ?
C99 C94 C95 C96 -1.8(13) . . . . ?
C100 C101 C102 C103 178.8(17) . . . . ?
C100 C101 C106 C105 -174.6(19) . . . . ?
C100 C101 C1A C1B -176.1(19) . . . . ?
C100 C101 C1E C1D 175(2) . . . . ?
C101 C102 C103 C104 -10(3) . . . . ?
C101 C1A C1B C1C 9(4) . . . . ?
C102 C101 C106 C105 -10(3) . . . . ?
C102 C103 C104 C105 3(4) . . . . ?
C103 C104 C105 C106 1(4) . . . . ?
C104 C105 C106 C101 2(4) . . . . ?
C106 C101 C102 C103 14(3) . . . . ?
C107 N15 N16 Dy3 -4.0(8) . . . . ?
C107 N15 N16 C108 -173.5(7) . . . . ?
C107 C115 C116 C117 72.5(10) . . . . ?
C107 C115 C116 C121 -104.4(9) . . . . ?
C108 C109 C110 O8 0.0(11) . . . . ?
C108 C109 C110 C111 178.2(7) . . . . ?
C108 C109 C114 C113 -178.5(8) . . . . ?
C109 C110 C111 C112 -0.7(12) . . . . ?
C110 C109 C114 C113 -1.5(13) . . . . ?
C110 C111 C112 C113 0.2(13) . . . . ?
C111 C112 C113 C114 -0.3(14) . . . . ?
C112 C113 C114 C109 0.9(14) . . . . ?
C114 C109 C110 O8 -176.9(7) . . . . ?
C114 C109 C110 C111 1.3(11) . . . . ?
C115 C116 C117 C118 -178.5(8) . . . . ?
C115 C116 C121 C120 178.6(8) . . . . ?
C116 C117 C118 C119 -0.2(15) . . . . ?
C117 C116 C121 C120 1.8(13) . . . . ?
C117 C118 C119 C120 1.9(15) . . . . ?
C118 C119 C120 C121 -1.7(15) . . . . ?
C119 C120 C121 C116 -0.1(13) . . . . ?
C121 C116 C117 C118 -1.7(13) . . . . ?
C82A C83A C84A C85A 5(4) . . . . ?
C83A C82A C87A C86A 4(4) . . . . ?
C83A C84A C85A C86A 0(4) . . . . ?
C84A C85A C86A C87A -2(4) . . . . ?
C85A C86A C87A C82A 1(4) . . . . ?
C87A C82A C83A C84A -7(4) . . . . ?
C52A C57A C56A C55A -21(5) . . . . ?
C57A C52A C53A C54A -12(7) . . . . ?
C57A C52A C51A C50 94(4) . . . . ?
C57A C52A C51A O14A -17(5) . . . . ?
C57A C56A C55A C54A 22(7) . . . . ?
C56A C55A C54A C53A -15(7) . . . . ?
C55A C54A C53A C52A 8(7) . . . . ?
C53A C52A C57A C56A 16(5) . . . . ?
C53A C52A C51A C50 -93(4) . . . . ?
C53A C52A C51A O14A 155(4) . . . . ?
C51A C52A C57A C56A -172(3) . . . . ?
C51A C52A C53A C54A 175(4) . . . . ?
C68A C67 C72A C71A 12(4) . . . . ?
C68A C69A C70A C71A 11(4) . . . . ?
C69A C70A C71A C72A -12(4) . . . . ?
C70A C71A C72A C67 1(4) . . . . ?
C72A C67 C68A C69A -13(4) . . . . ?
C1A C101 C1E C1D 11(4) . . . . ?
C1A C1B C1C C1D -3(4) . . . . ?
C1B C1C C1D C1E 1(4) . . . . ?
C1C C1D C1E C101 -6(4) . . . . ?
C1E C101 C1A C1B -12(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.950(4)
2 0.050(4)

####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 1920448'
loop_
_audit_author_name
_audit_author_address
'Ge Li'
;Lanzhou University
China
;
_audit_update_record             
;
2019-08-20 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-08-15
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.07.31 svn.r3643 for OlexSys, GUI svn.r5859)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C96 H90 Dy2 N12 Na3 O24), 2(N2 O6), H2 N O4, C H4 Cl2, 3(H4 O2), O2, 2.5(C4 H6 N2)'
_chemical_formula_sum            'C203 H213 Cl2 Dy4 N34 Na6 O72'
_chemical_formula_weight         5139.90
_chemical_absolute_configuration ad
_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'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 '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'

_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      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   20.2482(2)
_cell_length_b                   21.6632(2)
_cell_length_c                   55.8238(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     24486.6(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    28791
_cell_measurement_temperature    119.99(10)
_cell_measurement_theta_max      74.0980
_cell_measurement_theta_min      3.1090
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.454
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10436
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_number            42582
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.480
_diffrn_reflns_theta_min         3.091
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     41.00  87.36   0.38    2.00    --    0.00  77.00 -30.00  122
  2  ω    -34.00  17.30   0.38    2.00    --    0.00  77.00 -30.00  135
  3  ω     60.00 159.18   0.38   11.00    --   95.80  82.00  60.00  261
  4  ω     47.00 120.72   0.38   11.00    --   95.80 -45.00  60.00  194
  5  ω     14.00  39.08   0.38   11.00    --   95.80 -61.00  90.00   66
  6  ω     78.00 119.80   0.38   11.00    --   95.80 -61.00  90.00  110
  7  ω     13.00 121.30   0.38   11.00    --   95.80 -45.00 -90.00  285
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0011185000
_diffrn_orient_matrix_UB_12      -0.0616660000
_diffrn_orient_matrix_UB_13      -0.0137409000
_diffrn_orient_matrix_UB_21      -0.0593383000
_diffrn_orient_matrix_UB_22      0.0213890000
_diffrn_orient_matrix_UB_23      -0.0151324000
_diffrn_orient_matrix_UB_31      0.0476089000
_diffrn_orient_matrix_UB_32      0.0282210000
_diffrn_orient_matrix_UB_33      -0.0185427000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.729
_reflns_Friedel_fraction_full    0.873
_reflns_Friedel_fraction_max     0.807
_reflns_number_gt                20652
_reflns_number_total             22387
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.788
_refine_diff_density_min         -1.364
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 
;
 Flack x determined using 7859 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0007(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1552
_refine_ls_number_reflns         22387
_refine_ls_number_restraints     183
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0789P)²+21.1960P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1243
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O32-N15
 1.2 with sigma of 0.02
 N18-C101
 1.2 with sigma of 0.02
 Cl2-C103 = C103-Cl1
 1.7 with sigma of 0.02
 O31-N15 = N15-O33
 1.2 with sigma of 0.02
 O32-O31
 2.2 with sigma of 0.02
 C101-C102
 1.5 with sigma of 0.02
 H30A-H10D
 2.2 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C28) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C28A) \\sim Ueq, Uanis(C31A) \\sim Ueq, Uanis(C32A) \\sim Ueq,
Uanis(C29A) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C30A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O31) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(N15) \\sim Ueq, Uanis(O33)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 N14, O28, O29, O30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C28, C29, C30, C31, C32, C29A, C31A, C32A, C30A, C28A, C27
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: C28(0.5) H28(0.5) C29(0.5) H29(0.5) C30(0.5) H30(0.5) C31(0.5)
 H31(0.5) C32(0.5) H32(0.5) O31(0.5) H31B(0.5) H31C(0.5) O32(0.5) N15(0.5)
 Cl1(0.5) O37(0.5) N17(0.5) C99(0.5) C100(0.5) H10A(0.5) H10B(0.5) H10C(0.5)
 Cl2(0.5) C28A(0.5) H28A(0.5) C29A(0.5) H29A(0.5) C30A(0.5) H30A(0.5) C31A(0.5)
 H31A(0.5) C32A(0.5) H32A(0.5) O37A(0.5) C103(0.5)
6.a Riding coordinates:
 O8(H8), O12(H12), N3(H3), O24(H24A), O31(H31B,H31C), O35(H35A,H35B), O36(H36A,
 H36B), O38(H38D,H38E), C102(H10D,H10E,H10F)
6.b Ternary CH refined with riding coordinates:
 C10(H10), C26(H26), C42(H42), C58(H58), C74(H74), C90(H90)
6.c Secondary CH2 refined with riding coordinates:
 C103(H10G,H10H)
6.d Aromatic/amide H refined with riding coordinates:
 N1(H1), N5(H5), C2(H2), C7(H7), C8(H8A), C9(H9), C12(H12A), C13(H13),
 C14(H14), C15(H15), C16(H16), C18(H18), C23(H23), C24(H24), C25(H25), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C39(H39), C40(H40),
 C41(H41), C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), N7(H7A), N9(H9A),
 N11(H11), C50(H50), C55(H55), C56(H56), C57(H57), C60(H60), C61(H61), C62(H62),
  C63(H63), C64(H64), C66(H66), C71(H71), C72(H72), C73(H73), C76(H76),
 C77(H77), C78(H78), C79(H79), C80(H80), C82(H82), C87(H87), C88(H88), C89(H89),
  C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C28A(H28A), C29A(H29A),
 C30A(H30A), C31A(H31A), C32A(H32A)
6.e Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C22(H22A,H22B,H22C), C38(H38A,H38B,H38C), C54(H54A,H54B,
 H54C), C70(H70A,H70B,H70C), C86(H86A,H86B,H86C), C98(H98A,H98B,H98C),
 C100(H10A,H10B,H10C)
6.f Idealised tetrahedral OH refined as rotating group:
 O4(H4), O16(H16A), O20(H20)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.39143(2) 0.60895(2) 0.53651(2) 0.03515(10) Uani 1 1 d . . . . .
Na1 Na 0.44051(13) 0.44857(12) 0.52295(5) 0.0387(6) Uani 1 1 d . . . . .
Na4 Na 0.29387(18) 0.500000 0.500000 0.0394(8) Uani 1 2 d S T P . .
O1 O 0.4796(2) 0.6496(2) 0.56019(8) 0.0397(10) Uani 1 1 d . . . . .
O2 O 0.3409(2) 0.5132(2) 0.53725(8) 0.0374(9) Uani 1 1 d . . . . .
O3 O 0.2184(2) 0.4707(3) 0.52968(9) 0.0474(12) Uani 1 1 d . . . . .
O4 O 0.5995(3) 0.6029(3) 0.60314(10) 0.0599(15) Uani 1 1 d . . . . .
H4 H 0.631260 0.579609 0.599625 0.090 Uiso 1 1 calc R U . . .
O5 O 0.3670(3) 0.7179(2) 0.53120(9) 0.0472(11) Uani 1 1 d . . . . .
O6 O 0.4763(2) 0.5497(2) 0.52049(8) 0.0370(10) Uani 1 1 d . . . . .
O7 O 0.5493(2) 0.4576(2) 0.53760(10) 0.0467(11) Uani 1 1 d . . . . .
O8 O 0.3911(6) 0.8294(4) 0.48511(16) 0.114(3) Uani 1 1 d . . . . .
H8 H 0.430826 0.823087 0.479745 0.170 Uiso 1 1 d R U . . .
O9 O 0.3297(2) 0.6232(2) 0.57261(9) 0.0424(11) Uani 1 1 d . . . . .
O10 O 0.3560(2) 0.6017(2) 0.49744(8) 0.0377(9) Uani 1 1 d . . . . .
O11 O 0.4066(2) 0.6394(2) 0.45559(8) 0.0418(11) Uani 1 1 d . . . . .
O12 O 0.1679(3) 0.6313(4) 0.59684(12) 0.0753(19) Uani 1 1 d . . . . .
H12 H 0.140334 0.606838 0.591858 0.113 Uiso 1 1 d R U . . .
N1 N 0.4937(3) 0.5613(3) 0.58091(10) 0.0414(13) Uani 1 1 d . . . . .
H1 H 0.516823 0.538496 0.590899 0.050 Uiso 1 1 calc R U . . .
N2 N 0.4337(3) 0.5413(3) 0.57141(10) 0.0385(12) Uani 1 1 d . . . . .
N3 N 0.4458(3) 0.7303(3) 0.50337(12) 0.0477(14) Uani 1 1 d . . . . .
H3 H 0.443474 0.734182 0.486161 0.057 Uiso 1 1 d R U . . .
N4 N 0.4729(3) 0.6746(3) 0.51110(10) 0.0408(13) Uani 1 1 d . . . . .
N5 N 0.2313(3) 0.6233(3) 0.55441(10) 0.0441(14) Uani 1 1 d . . . . .
H5 H 0.187988 0.620930 0.555003 0.053 Uiso 1 1 calc R U . . .
N6 N 0.2659(3) 0.6306(3) 0.53288(10) 0.0433(13) Uani 1 1 d . . . . .
C1 C 0.5135(3) 0.6165(3) 0.57400(12) 0.0403(14) Uani 1 1 d . . . . .
C2 C 0.4057(4) 0.4974(3) 0.58337(12) 0.0410(15) Uani 1 1 d . . . . .
H2 H 0.428421 0.480750 0.596777 0.049 Uiso 1 1 calc R U . . .
C3 C 0.3414(4) 0.4724(3) 0.57742(12) 0.0392(14) Uani 1 1 d . . . . .
C4 C 0.3118(3) 0.4837(3) 0.55505(12) 0.0382(14) Uani 1 1 d . . . . .
C5 C 0.2462(4) 0.4594(3) 0.55189(13) 0.0428(15) Uani 1 1 d . . . . .
C6 C 0.1540(4) 0.4462(5) 0.52568(17) 0.062(2) Uani 1 1 d . . . . .
H6A H 0.140691 0.454160 0.509082 0.094 Uiso 1 1 calc R U . . .
H6B H 0.122550 0.465947 0.536607 0.094 Uiso 1 1 calc R U . . .
H6C H 0.154419 0.401578 0.528593 0.094 Uiso 1 1 calc R U . . .
C7 C 0.2147(4) 0.4275(4) 0.56988(13) 0.0494(18) Uani 1 1 d . . . . .
H7 H 0.170992 0.412823 0.567473 0.059 Uiso 1 1 calc R U . . .
C8 C 0.2466(4) 0.4167(4) 0.59164(14) 0.0515(19) Uani 1 1 d . . . . .
H8A H 0.225104 0.393970 0.603928 0.062 Uiso 1 1 calc R U . . .
C9 C 0.3085(4) 0.4391(4) 0.59511(14) 0.0499(18) Uani 1 1 d . . . . .
H9 H 0.329924 0.431780 0.609985 0.060 Uiso 1 1 calc R U . . .
C10 C 0.5812(4) 0.6376(4) 0.58286(15) 0.0480(17) Uani 1 1 d . . . . .
H10 H 0.614167 0.629446 0.569899 0.058 Uiso 1 1 calc R U . . .
C11 C 0.5807(4) 0.7069(3) 0.58797(14) 0.0446(16) Uani 1 1 d . . . . .
C12 C 0.5803(4) 0.7484(4) 0.56903(17) 0.0532(19) Uani 1 1 d . . . . .
H12A H 0.582359 0.733109 0.553097 0.064 Uiso 1 1 calc R U . . .
C13 C 0.5768(5) 0.8114(4) 0.57276(19) 0.063(2) Uani 1 1 d . . . . .
H13 H 0.574863 0.839125 0.559604 0.075 Uiso 1 1 calc R U . . .
C14 C 0.5763(5) 0.8325(5) 0.5955(2) 0.069(3) Uani 1 1 d . . . . .
H14 H 0.575836 0.875835 0.598128 0.082 Uiso 1 1 calc R U . . .
C15 C 0.5765(5) 0.7931(4) 0.61503(19) 0.065(2) Uani 1 1 d . . . . .
H15 H 0.575051 0.808789 0.630917 0.078 Uiso 1 1 calc R U . . .
C16 C 0.5787(4) 0.7304(4) 0.61067(17) 0.056(2) Uani 1 1 d . . . . .
H16 H 0.578849 0.702758 0.623877 0.067 Uiso 1 1 calc R U . . .
C17 C 0.3923(4) 0.7480(3) 0.51454(14) 0.0489(17) Uani 1 1 d . . . . .
C18 C 0.5348(4) 0.6677(4) 0.50700(14) 0.0476(17) Uani 1 1 d . . . . .
H18 H 0.557468 0.698775 0.498218 0.057 Uiso 1 1 calc R U . . .
C19 C 0.5722(3) 0.6134(4) 0.51540(13) 0.0444(15) Uani 1 1 d . . . . .
C20 C 0.5408(3) 0.5588(4) 0.52209(13) 0.0432(15) Uani 1 1 d . . . . .
C21 C 0.5823(3) 0.5110(3) 0.53150(13) 0.0424(15) Uani 1 1 d . . . . .
C22 C 0.5899(4) 0.4077(4) 0.54600(17) 0.060(2) Uani 1 1 d . . . . .
H22A H 0.562583 0.370758 0.548195 0.091 Uiso 1 1 calc R U . . .
H22B H 0.610076 0.419166 0.561317 0.091 Uiso 1 1 calc R U . . .
H22C H 0.624569 0.399135 0.534229 0.091 Uiso 1 1 calc R U . . .
C23 C 0.6493(4) 0.5193(4) 0.53354(16) 0.0537(19) Uani 1 1 d . . . . .
H23 H 0.675734 0.487093 0.540006 0.064 Uiso 1 1 calc R U . . .
C24 C 0.6786(4) 0.5733(4) 0.52638(18) 0.060(2) Uani 1 1 d . . . . .
H24 H 0.724974 0.578341 0.528051 0.071 Uiso 1 1 calc R U . . .
C25 C 0.6415(4) 0.6198(4) 0.51687(16) 0.0534(19) Uani 1 1 d . . . . .
H25 H 0.662188 0.656380 0.511252 0.064 Uiso 1 1 calc R U . . .
C26 C 0.3606(5) 0.8074(4) 0.50656(17) 0.061(2) Uani 1 1 d . . . . .
H26 H 0.312640 0.800056 0.503475 0.074 Uiso 1 1 calc R U . . .
C27 C 0.3679(5) 0.8567(4) 0.5252(2) 0.079(3) Uani 1 1 d . . . . .
C28 C 0.4275(17) 0.8636(17) 0.5353(6) 0.080(7) Uani 0.5 1 d . U P A 1
H28 H 0.462658 0.836254 0.531481 0.095 Uiso 0.5 1 calc R U P A 1
C29 C 0.4370(17) 0.9117(16) 0.5515(6) 0.102(8) Uani 0.5 1 d . U P A 1
H29 H 0.476306 0.913152 0.560745 0.122 Uiso 0.5 1 calc R U P A 1
C30 C 0.3894(17) 0.9578(16) 0.5543(7) 0.115(8) Uani 0.5 1 d . U P A 1
H30 H 0.394095 0.990028 0.565668 0.138 Uiso 0.5 1 calc R U P A 1
C31 C 0.3325(15) 0.9533(13) 0.5387(6) 0.094(6) Uani 0.5 1 d . U P A 1
H31 H 0.302858 0.987199 0.537783 0.113 Uiso 0.5 1 calc R U P A 1
C32 C 0.3203(9) 0.9032(8) 0.5255(4) 0.064(4) Uani 0.5 1 d . U P A 1
H32 H 0.280598 0.899420 0.516541 0.077 Uiso 0.5 1 calc R U P A 1
C33 C 0.2690(4) 0.6201(3) 0.57392(13) 0.0433(16) Uani 1 1 d . . . . .
C34 C 0.2310(4) 0.6516(3) 0.51550(14) 0.0453(16) Uani 1 1 d . . . . .
H34 H 0.184948 0.657711 0.517754 0.054 Uiso 1 1 calc R U . . .
C35 C 0.2607(4) 0.6665(4) 0.49226(13) 0.0442(16) Uani 1 1 d . . . . .
C36 C 0.3219(3) 0.6425(3) 0.48478(12) 0.0384(14) Uani 1 1 d . . . . .
C37 C 0.3472(4) 0.6642(3) 0.46230(14) 0.0432(15) Uani 1 1 d . . . . .
C38 C 0.4318(4) 0.6583(4) 0.43291(14) 0.0523(18) Uani 1 1 d . . . . .
H38A H 0.469062 0.631747 0.428446 0.078 Uiso 1 1 calc R U . . .
H38B H 0.446762 0.701212 0.433900 0.078 Uiso 1 1 calc R U . . .
H38C H 0.397002 0.654808 0.420792 0.078 Uiso 1 1 calc R U . . .
C39 C 0.3133(4) 0.7075(4) 0.44924(13) 0.0497(18) Uani 1 1 d . . . . .
H39 H 0.332250 0.723182 0.434905 0.060 Uiso 1 1 calc R U . . .
C40 C 0.2513(5) 0.7291(4) 0.45665(15) 0.059(2) Uani 1 1 d . . . . .
H40 H 0.227177 0.757159 0.446953 0.071 Uiso 1 1 calc R U . . .
C41 C 0.2262(4) 0.7094(4) 0.47777(14) 0.0525(19) Uani 1 1 d . . . . .
H41 H 0.184646 0.724658 0.482995 0.063 Uiso 1 1 calc R U . . .
C42 C 0.2336(4) 0.6097(4) 0.59791(13) 0.0534(19) Uani 1 1 d . . . . .
H42 H 0.231333 0.564094 0.600431 0.064 Uiso 1 1 calc R U . . .
C43 C 0.2748(5) 0.6362(5) 0.61849(16) 0.064(2) Uani 1 1 d . . . . .
C44 C 0.3299(6) 0.6023(5) 0.62696(16) 0.072(3) Uani 1 1 d . . . . .
H44 H 0.340009 0.563338 0.620059 0.086 Uiso 1 1 calc R U . . .
C45 C 0.3689(7) 0.6251(7) 0.64505(19) 0.091(4) Uani 1 1 d . . . . .
H45 H 0.405770 0.602525 0.650841 0.109 Uiso 1 1 calc R U . . .
C46 C 0.3524(8) 0.6831(8) 0.6547(2) 0.102(5) Uani 1 1 d . . . . .
H46 H 0.378328 0.699196 0.667465 0.122 Uiso 1 1 calc R U . . .
C47 C 0.2991(7) 0.7180(6) 0.6462(2) 0.086(3) Uani 1 1 d . . . . .
H47 H 0.289319 0.757366 0.652797 0.103 Uiso 1 1 calc R U . . .
C48 C 0.2608(6) 0.6934(5) 0.6278(2) 0.080(3) Uani 1 1 d . . . . .
H48 H 0.224575 0.716431 0.621696 0.096 Uiso 1 1 calc R U . . .
Dy2 Dy 0.38083(2) 0.28172(2) 0.71520(2) 0.03100(9) Uani 1 1 d . . . . .
Na2 Na 0.500000 0.19141(14) 0.750000 0.0325(7) Uani 1 2 d S T P . .
Na3 Na 0.44717(13) 0.32815(11) 0.77379(5) 0.0359(5) Uani 1 1 d . . . . .
O13 O 0.3055(2) 0.3642(2) 0.70465(9) 0.0384(10) Uani 1 1 d . . . . .
O14 O 0.3964(2) 0.23332(17) 0.75160(7) 0.0304(8) Uani 1 1 d . . . . .
O15 O 0.4285(2) 0.12067(18) 0.76712(8) 0.0337(9) Uani 1 1 d . . . . .
O16 O 0.2144(3) 0.4823(2) 0.73467(10) 0.0504(13) Uani 1 1 d . . . . .
H16A H 0.222968 0.519627 0.737329 0.076 Uiso 1 1 calc R U . . .
O17 O 0.3781(2) 0.2584(2) 0.67357(8) 0.0385(10) Uani 1 1 d . . . . .
O18 O 0.4327(2) 0.36150(17) 0.73497(8) 0.0334(9) Uani 1 1 d . . . . .
O19 O 0.4128(2) 0.4304(2) 0.77431(9) 0.0417(11) Uani 1 1 d . . . . .
O20 O 0.4621(3) 0.2945(3) 0.61937(9) 0.0557(14) Uani 1 1 d . . . . .
H20 H 0.488983 0.275907 0.610472 0.083 Uiso 1 1 calc R U . . .
O21 O 0.7190(2) 0.2191(2) 0.78450(9) 0.0403(10) Uani 1 1 d . . . . .
O22 O 0.5101(2) 0.25107(18) 0.78990(7) 0.0314(9) Uani 1 1 d . . . . .
O23 O 0.4027(2) 0.2995(2) 0.81054(8) 0.0383(10) Uani 1 1 d . . . . .
O24 O 0.7600(3) 0.0630(3) 0.76955(12) 0.0632(17) Uani 1 1 d . . . . .
H24A H 0.764580 0.028025 0.777378 0.095 Uiso 1 1 d R U . . .
N7 N 0.2715(3) 0.3766(2) 0.74263(10) 0.0390(12) Uani 1 1 d . . . . .
H7A H 0.251108 0.398743 0.753601 0.047 Uiso 1 1 calc R U . . .
N8 N 0.2985(3) 0.3187(2) 0.74773(10) 0.0365(12) Uani 1 1 d . . . . .
N9 N 0.4457(3) 0.3361(3) 0.66345(11) 0.0406(13) Uani 1 1 d . . . . .
H9A H 0.471163 0.355052 0.652992 0.049 Uiso 1 1 calc R U . . .
N10 N 0.4339(3) 0.3602(2) 0.68602(10) 0.0376(12) Uani 1 1 d . . . . .
N11 N 0.6610(3) 0.1298(2) 0.78634(10) 0.0362(11) Uani 1 1 d . . . . .
H11 H 0.659362 0.089396 0.784792 0.043 Uiso 1 1 calc R U . . .
N12 N 0.6064(3) 0.1648(2) 0.79318(10) 0.0367(11) Uani 1 1 d . . . . .
C49 C 0.2783(3) 0.3962(3) 0.72031(13) 0.0376(14) Uani 1 1 d . . . . .
C50 C 0.2733(3) 0.2910(3) 0.76573(13) 0.0414(15) Uani 1 1 d . . . . .
H50 H 0.238793 0.311067 0.774265 0.050 Uiso 1 1 calc R U . . .
C51 C 0.2944(3) 0.2310(3) 0.77379(12) 0.0368(14) Uani 1 1 d . . . . .
C52 C 0.3543(3) 0.2045(3) 0.76596(12) 0.0316(12) Uani 1 1 d . . . . .
C53 C 0.3694(3) 0.1450(3) 0.77523(11) 0.0322(13) Uani 1 1 d . . . . .
C54 C 0.4448(4) 0.0590(3) 0.77526(13) 0.0404(15) Uani 1 1 d . . . . .
H54A H 0.489020 0.047898 0.769599 0.061 Uiso 1 1 calc R U . . .
H54B H 0.412477 0.029582 0.768887 0.061 Uiso 1 1 calc R U . . .
H54C H 0.443859 0.057817 0.792808 0.061 Uiso 1 1 calc R U . . .
C55 C 0.3273(3) 0.1146(3) 0.79050(11) 0.0367(13) Uani 1 1 d . . . . .
H55 H 0.338751 0.074620 0.796153 0.044 Uiso 1 1 calc R U . . .
C56 C 0.2681(4) 0.1415(3) 0.79785(14) 0.0460(17) Uani 1 1 d . . . . .
H56 H 0.239424 0.120187 0.808460 0.055 Uiso 1 1 calc R U . . .
C57 C 0.2520(4) 0.1989(3) 0.78960(13) 0.0443(16) Uani 1 1 d . . . . .
H57 H 0.211750 0.217497 0.794539 0.053 Uiso 1 1 calc R U . . .
C58 C 0.2526(3) 0.4615(3) 0.71540(13) 0.0401(14) Uani 1 1 d . . . . .
H58 H 0.291684 0.489392 0.713964 0.048 Uiso 1 1 calc R U . . .
C59 C 0.2152(4) 0.4641(3) 0.69191(13) 0.0423(16) Uani 1 1 d . . . . .
C60 C 0.1496(4) 0.4475(3) 0.69081(15) 0.0492(18) Uani 1 1 d . . . . .
H60 H 0.127610 0.433678 0.704861 0.059 Uiso 1 1 calc R U . . .
C61 C 0.1151(6) 0.4509(4) 0.6691(2) 0.074(3) Uani 1 1 d . . . . .
H61 H 0.069739 0.439816 0.668425 0.088 Uiso 1 1 calc R U . . .
C62 C 0.1467(8) 0.4700(5) 0.6490(2) 0.087(4) Uani 1 1 d . . . . .
H62 H 0.123229 0.472583 0.634317 0.105 Uiso 1 1 calc R U . . .
C63 C 0.2140(8) 0.4860(5) 0.64973(18) 0.087(4) Uani 1 1 d . . . . .
H63 H 0.236008 0.498963 0.635570 0.105 Uiso 1 1 calc R U . . .
C64 C 0.2479(6) 0.4828(4) 0.67129(16) 0.063(2) Uani 1 1 d . . . . .
H64 H 0.293354 0.493338 0.671939 0.075 Uiso 1 1 calc R U . . .
C65 C 0.4164(3) 0.2827(3) 0.65852(12) 0.0382(14) Uani 1 1 d . . . . .
C66 C 0.4434(3) 0.4199(3) 0.68803(13) 0.0396(15) Uani 1 1 d . . . . .
H66 H 0.458816 0.442273 0.674493 0.048 Uiso 1 1 calc R U . . .
C67 C 0.4315(4) 0.4526(3) 0.70997(15) 0.0439(17) Uani 1 1 d . . . . .
C68 C 0.4266(3) 0.4229(3) 0.73250(13) 0.0360(14) Uani 1 1 d . . . . .
C69 C 0.4162(3) 0.4609(3) 0.75276(14) 0.0390(15) Uani 1 1 d . . . . .
C70 C 0.4038(4) 0.4675(3) 0.79511(15) 0.0479(17) Uani 1 1 d . . . . .
H70A H 0.412034 0.442603 0.809447 0.072 Uiso 1 1 calc R U . . .
H70B H 0.358388 0.483216 0.795489 0.072 Uiso 1 1 calc R U . . .
H70C H 0.434709 0.502304 0.794701 0.072 Uiso 1 1 calc R U . . .
C71 C 0.4095(4) 0.5241(3) 0.75026(17) 0.0504(18) Uani 1 1 d . . . . .
H71 H 0.400352 0.548509 0.764004 0.060 Uiso 1 1 calc R U . . .
C72 C 0.4158(4) 0.5528(3) 0.72812(17) 0.053(2) Uani 1 1 d . . . . .
H72 H 0.412165 0.596366 0.726844 0.064 Uiso 1 1 calc R U . . .
C73 C 0.4274(4) 0.5177(3) 0.70813(16) 0.0494(18) Uani 1 1 d . . . . .
H73 H 0.432820 0.537059 0.692992 0.059 Uiso 1 1 calc R U . . .
C74 C 0.4318(4) 0.2515(4) 0.63524(13) 0.0444(16) Uani 1 1 d . . . . .
H74 H 0.463506 0.217012 0.638342 0.053 Uiso 1 1 calc R U . . .
C75 C 0.3682(4) 0.2247(4) 0.62599(14) 0.0507(18) Uani 1 1 d . . . . .
C76 C 0.3204(4) 0.2604(4) 0.61519(14) 0.055(2) Uani 1 1 d . . . . .
H76 H 0.328945 0.302984 0.612644 0.066 Uiso 1 1 calc R U . . .
C77 C 0.2620(5) 0.2371(5) 0.60812(17) 0.066(2) Uani 1 1 d . . . . .
H77 H 0.231810 0.262624 0.599675 0.079 Uiso 1 1 calc R U . . .
C78 C 0.2457(6) 0.1780(6) 0.6128(2) 0.083(3) Uani 1 1 d . . . . .
H78 H 0.204053 0.162072 0.607974 0.099 Uiso 1 1 calc R U . . .
C79 C 0.2912(6) 0.1400(5) 0.6251(2) 0.085(3) Uani 1 1 d . . . . .
H79 H 0.280405 0.098348 0.628610 0.102 Uiso 1 1 calc R U . . .
C80 C 0.3524(5) 0.1642(5) 0.63206(19) 0.068(2) Uani 1 1 d . . . . .
H80 H 0.382793 0.139556 0.640821 0.082 Uiso 1 1 calc R U . . .
C81 C 0.7157(3) 0.1619(3) 0.78235(12) 0.0389(14) Uani 1 1 d . . . . .
C82 C 0.5631(3) 0.1338(3) 0.80577(12) 0.0373(14) Uani 1 1 d . . . . .
H82 H 0.570887 0.091174 0.808670 0.045 Uiso 1 1 calc R U . . .
C83 C 0.5040(3) 0.1617(3) 0.81545(11) 0.0334(13) Uani 1 1 d . . . . .
C84 C 0.4814(3) 0.2192(3) 0.80739(11) 0.0326(12) Uani 1 1 d . . . . .
C85 C 0.4245(3) 0.2433(3) 0.81897(12) 0.0360(13) Uani 1 1 d . . . . .
C86 C 0.3440(4) 0.3238(4) 0.82104(15) 0.0498(18) Uani 1 1 d . . . . .
H86A H 0.332994 0.363322 0.813454 0.075 Uiso 1 1 calc R U . . .
H86B H 0.351005 0.330220 0.838236 0.075 Uiso 1 1 calc R U . . .
H86C H 0.307555 0.294678 0.818660 0.075 Uiso 1 1 calc R U . . .
C87 C 0.3934(4) 0.2118(3) 0.83736(12) 0.0448(15) Uani 1 1 d . . . . .
H87 H 0.356735 0.229818 0.845315 0.054 Uiso 1 1 calc R U . . .
C88 C 0.4159(4) 0.1536(4) 0.84422(13) 0.0490(18) Uani 1 1 d . . . . .
H88 H 0.393317 0.131037 0.856296 0.059 Uiso 1 1 calc R U . . .
C89 C 0.4711(4) 0.1291(3) 0.83339(13) 0.0445(16) Uani 1 1 d . . . . .
H89 H 0.486869 0.089633 0.838170 0.053 Uiso 1 1 calc R U . . .
C90 C 0.7778(4) 0.1257(3) 0.77561(14) 0.0441(16) Uani 1 1 d . . . . .
H90 H 0.798482 0.145478 0.761276 0.053 Uiso 1 1 calc R U . . .
C91 C 0.8271(4) 0.1257(4) 0.79576(17) 0.055(2) Uani 1 1 d . . . . .
C92 C 0.8115(5) 0.1039(6) 0.81800(17) 0.074(3) Uani 1 1 d . . . . .
H92 H 0.767122 0.091942 0.820948 0.088 Uiso 1 1 calc R U . . .
C93 C 0.8560(7) 0.0984(8) 0.8363(2) 0.107(5) Uani 1 1 d . . . . .
H93 H 0.843807 0.081396 0.851325 0.128 Uiso 1 1 calc R U . . .
C94 C 0.9202(8) 0.1187(8) 0.8318(3) 0.130(8) Uani 1 1 d . . . . .
H94 H 0.952380 0.115900 0.844119 0.156 Uiso 1 1 calc R U . . .
C95 C 0.9378(6) 0.1429(6) 0.8099(3) 0.095(5) Uani 1 1 d . . . . .
H95 H 0.981504 0.157251 0.807183 0.114 Uiso 1 1 calc R U . . .
C96 C 0.8912(5) 0.1459(4) 0.7918(2) 0.071(3) Uani 1 1 d . . . . .
H96 H 0.903198 0.162002 0.776625 0.086 Uiso 1 1 calc R U . . .
O25 O 0.5542(3) 0.4630(3) 0.60836(12) 0.0725(18) Uani 1 1 d . . . . .
O26 O 0.4799(4) 0.4833(4) 0.63524(11) 0.0739(19) Uani 1 1 d . . . . .
O27 O 0.5510(3) 0.4093(3) 0.64105(12) 0.0641(16) Uani 1 1 d . . . . .
N13 N 0.5287(4) 0.4524(3) 0.62850(12) 0.0538(16) Uani 1 1 d . . . . .
O28 O 0.5217(4) 0.7672(6) 0.46053(16) 0.120(4) Uani 1 1 d . . . . .
O29 O 0.5667(5) 0.8203(5) 0.48833(18) 0.116(3) Uani 1 1 d . . . . .
O30 O 0.5917(5) 0.8436(12) 0.4522(3) 0.279(12) Uani 1 1 d . . . . .
N14 N 0.5594(5) 0.8106(8) 0.4675(2) 0.139(6) Uani 1 1 d . . . . .
O31 O 0.5837(14) 0.2075(11) 0.3239(5) 0.161(10) Uani 0.5 1 d D U P . .
H31B H 0.611481 0.204915 0.312064 0.241 Uiso 0.5 1 d R U P B 2
H31C H 0.615311 0.213835 0.334714 0.241 Uiso 0.5 1 d R U P B 2
O32 O 0.6476(15) 0.2007(10) 0.2970(5) 0.170(11) Uani 0.5 1 d D U P C 1
O33 O 0.7019(9) 0.2156(7) 0.3310(3) 0.172(6) Uani 1 1 d D U . C 1
N15 N 0.6452(12) 0.2069(10) 0.3206(5) 0.098(6) Uani 0.5 1 d D U P C 1
Cl1 Cl 0.8827(6) 0.5025(4) 0.7177(2) 0.149(4) Uani 0.5 1 d D . P . .
O35 O 0.7006(6) 0.5293(5) 0.5947(2) 0.127(4) Uani 1 1 d . . . . .
H35A H 0.712738 0.492508 0.594321 0.191 Uiso 1 1 d R U . . .
H35B H 0.730988 0.548238 0.587131 0.191 Uiso 1 1 d R U . . .
O36 O 0.5635(6) 0.2319(5) 0.5925(2) 0.123(3) Uani 1 1 d . . . . .
H36A H 0.583026 0.196751 0.591654 0.185 Uiso 1 1 d R U . . .
H36B H 0.589586 0.263741 0.595654 0.185 Uiso 1 1 d R U . . .
O37 O 0.0767(16) 0.5378(16) 0.5798(9) 0.20(2) Uani 0.5 1 d . . P D 1
O38 O 0.6404(6) 0.3348(6) 0.6113(3) 0.151(5) Uani 1 1 d . . . . .
H38D H 0.619692 0.343774 0.625034 0.226 Uiso 1 1 d R U . . .
H38E H 0.628742 0.371494 0.605154 0.226 Uiso 1 1 d R U . . .
N16 N 0.3144(8) 0.0850(9) 0.5683(3) 0.144(6) Uani 1 1 d . . . . .
C97 C 0.3623(11) 0.1127(9) 0.5691(3) 0.120(5) Uani 1 1 d . . . . .
C98 C 0.4285(14) 0.1434(10) 0.5725(4) 0.195(12) Uani 1 1 d . . . . .
H98A H 0.431436 0.160271 0.588724 0.293 Uiso 1 1 calc R U . . .
H98B H 0.433383 0.176917 0.560803 0.293 Uiso 1 1 calc R U . . .
H98C H 0.463712 0.113006 0.570060 0.293 Uiso 1 1 calc R U . . .
N17 N 0.6768(9) 0.2835(7) 0.5315(4) 0.074(5) Uani 0.5 1 d . . P . .
C99 C 0.7073(9) 0.2844(7) 0.5471(3) 0.052(4) Uani 0.5 1 d . . P . .
C100 C 0.7498(10) 0.2817(9) 0.5664(4) 0.072(5) Uani 0.5 1 d . . P . .
H10A H 0.787878 0.255886 0.562263 0.107 Uiso 0.5 1 calc R U P . .
H10B H 0.726709 0.263774 0.580157 0.107 Uiso 0.5 1 calc R U P . .
H10C H 0.764861 0.323379 0.570395 0.107 Uiso 0.5 1 calc R U P . .
N18 N 0.4057(6) 0.7539(5) 0.5933(2) 0.108(4) Uani 1 1 d D . . . .
C101 C 0.3869(9) 0.8035(6) 0.6051(3) 0.117(5) Uani 1 1 d D . . . .
C102 C 0.3685(13) 0.8535(8) 0.6156(4) 0.194(12) Uani 1 1 d D . . . .
H10D H 0.360768 0.885627 0.603536 0.290 Uiso 1 1 d DR U . . .
H10E H 0.403138 0.867227 0.626666 0.290 Uiso 1 1 d R U . . .
H10F H 0.327688 0.845917 0.624526 0.290 Uiso 1 1 d R U . . .
Cl2 Cl 0.7585(6) 0.4399(6) 0.71192(18) 0.159(4) Uani 0.5 1 d D . P . .
C28A C 0.416(2) 0.859(2) 0.5427(6) 0.087(7) Uani 0.5 1 d . U P A 2
H28A H 0.450642 0.829037 0.542013 0.105 Uiso 0.5 1 calc R U P A 2
C29A C 0.4191(18) 0.9037(16) 0.5621(6) 0.101(8) Uani 0.5 1 d . U P A 2
H29A H 0.457516 0.907872 0.571717 0.121 Uiso 0.5 1 calc R U P A 2
C30A C 0.365(2) 0.9395(16) 0.5660(7) 0.132(10) Uani 0.5 1 d . U P A 2
H30A H 0.364146 0.966076 0.579559 0.158 Uiso 0.5 1 calc DR U P A 2
C31A C 0.317(2) 0.938(2) 0.5524(8) 0.146(11) Uani 0.5 1 d . U P A 2
H31A H 0.286550 0.971171 0.550512 0.175 Uiso 0.5 1 calc R U P A 2
C32A C 0.311(2) 0.865(2) 0.5364(8) 0.150(9) Uani 0.5 1 d . U P A 2
H32A H 0.274573 0.837779 0.536207 0.180 Uiso 0.5 1 calc R U P A 2
O37A O 0.0856(12) 0.5396(12) 0.5944(5) 0.107(8) Uani 0.5 1 d . . P E 2
C103 C 0.8260(11) 0.4628(13) 0.7021(5) 0.27(4) Uani 0.5 1 d D . P . .
H10G H 0.815627 0.488293 0.687909 0.327 Uiso 1 1 calc R U . . .
H10H H 0.848930 0.425565 0.696059 0.327 Uiso 1 1 calc R U . . .


_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 Na1 3.682(3) 4_566 ?
Dy1 Na1 3.692(3) . ?
Dy1 Na4 3.691(2) . ?
Dy1 O1 2.390(5) . ?
Dy1 O2 2.313(4) . ?
Dy1 O5 2.428(5) . ?
Dy1 O6 2.323(4) . ?
Dy1 O9 2.391(5) . ?
Dy1 O10 2.301(4) . ?
Dy1 N2 2.584(6) . ?
Dy1 N4 2.600(6) . ?
Dy1 N6 2.592(6) . ?
Na1 Na1 3.396(5) 4_566 ?
Na1 Na4 3.421(4) . ?
Na1 O2 2.583(5) . ?
Na1 O6 2.531(5) 4_566 ?
Na1 O6 2.312(5) . ?
Na1 O7 2.358(6) . ?
Na1 O10 2.326(5) 4_566 ?
Na1 O11 2.352(5) 4_566 ?
Na4 O2 2.304(5) . ?
Na4 O2 2.304(5) 4_566 ?
Na4 O3 2.342(5) . ?
Na4 O3 2.342(5) 4_566 ?
Na4 O10 2.542(5) 4_566 ?
Na4 O10 2.542(5) . ?
Na4 C4 3.115(7) 4_566 ?
Na4 C4 3.114(7) . ?
O1 C1 1.256(8) . ?
O2 C4 1.320(8) . ?
O3 C5 1.384(9) . ?
O3 C6 1.425(10) . ?
O4 H4 0.8400 . ?
O4 C10 1.409(9) . ?
O5 C17 1.246(9) . ?
O6 C20 1.324(8) . ?
O7 C21 1.379(9) . ?
O7 C22 1.435(9) . ?
O8 H8 0.8690 . ?
O8 C26 1.429(11) . ?
O9 C33 1.233(9) . ?
O10 C36 1.326(8) . ?
O11 C37 1.370(9) . ?
O11 C38 1.426(9) . ?
O12 H12 0.8189 . ?
O12 C42 1.412(10) . ?
N1 H1 0.8800 . ?
N1 N2 1.394(8) . ?
N1 C1 1.320(9) . ?
N2 C2 1.292(9) . ?
N3 H3 0.9656 . ?
N3 N4 1.394(8) . ?
N3 C17 1.308(10) . ?
N4 C18 1.283(10) . ?
N5 H5 0.8800 . ?
N5 N6 1.400(8) . ?
N5 C33 1.332(10) . ?
N6 C34 1.284(9) . ?
C1 C10 1.527(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.448(10) . ?
C3 C4 1.407(10) . ?
C3 C9 1.393(10) . ?
C4 C5 1.440(10) . ?
C5 C7 1.375(10) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7 0.9500 . ?
C7 C8 1.395(12) . ?
C8 H8A 0.9500 . ?
C8 C9 1.358(12) . ?
C9 H9 0.9500 . ?
C10 H10 1.0000 . ?
C10 C11 1.529(11) . ?
C11 C12 1.388(11) . ?
C11 C16 1.366(12) . ?
C12 H12A 0.9500 . ?
C12 C13 1.382(12) . ?
C13 H13 0.9500 . ?
C13 C14 1.348(15) . ?
C14 H14 0.9500 . ?
C14 C15 1.386(15) . ?
C15 H15 0.9500 . ?
C15 C16 1.381(13) . ?
C16 H16 0.9500 . ?
C17 C26 1.505(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.476(11) . ?
C19 C20 1.394(11) . ?
C19 C25 1.411(10) . ?
C20 C21 1.433(11) . ?
C21 C23 1.373(10) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23 0.9500 . ?
C23 C24 1.372(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.365(12) . ?
C25 H25 0.9500 . ?
C26 H26 1.0000 . ?
C26 C27 1.498(15) . ?
C27 C28 1.34(4) . ?
C27 C32 1.39(2) . ?
C27 C28A 1.39(4) . ?
C27 C32A 1.32(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.39(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.40(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.45(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.33(3) . ?
C32 H32 0.9500 . ?
C33 C42 1.535(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.466(10) . ?
C35 C36 1.408(10) . ?
C35 C41 1.416(10) . ?
C36 C37 1.433(10) . ?
C37 C39 1.372(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39 0.9500 . ?
C39 C40 1.402(12) . ?
C40 H40 0.9500 . ?
C40 C41 1.353(12) . ?
C41 H41 0.9500 . ?
C42 H42 1.0000 . ?
C42 C43 1.531(13) . ?
C43 C44 1.417(15) . ?
C43 C48 1.375(14) . ?
C44 H44 0.9500 . ?
C44 C45 1.374(15) . ?
C45 H45 0.9500 . ?
C45 C46 1.41(2) . ?
C46 H46 0.9500 . ?
C46 C47 1.40(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.392(17) . ?
C48 H48 0.9500 . ?
Dy2 Na2 3.6638(17) . ?
Dy2 Na3 3.676(3) . ?
Dy2 Na3 3.677(3) 3_656 ?
Dy2 O13 2.422(4) . ?
Dy2 O14 2.308(4) . ?
Dy2 O17 2.379(5) . ?
Dy2 O18 2.304(4) . ?
Dy2 O21 2.434(4) 3_656 ?
Dy2 O22 2.324(4) 3_656 ?
Dy2 N8 2.592(6) . ?
Dy2 N10 2.588(5) . ?
Dy2 N12 2.588(5) 3_656 ?
Na2 Na3 3.418(4) 3_656 ?
Na2 Na3 3.418(4) . ?
Na2 O14 2.288(4) 3_656 ?
Na2 O14 2.288(4) . ?
Na2 O15 2.315(5) . ?
Na2 O15 2.315(5) 3_656 ?
Na2 O22 2.583(4) 3_656 ?
Na2 O22 2.583(4) . ?
Na2 C52 3.094(6) . ?
Na2 C52 3.094(6) 3_656 ?
Na3 Na3 3.411(5) 3_656 ?
Na3 O14 2.610(5) . ?
Na3 O18 2.585(5) 3_656 ?
Na3 O18 2.303(5) . ?
Na3 O19 2.323(5) . ?
Na3 O22 2.285(5) . ?
Na3 O23 2.324(5) . ?
Na3 C68 3.115(7) . ?
Na3 C84 3.093(7) . ?
O13 C49 1.244(8) . ?
O14 C52 1.325(7) . ?
O15 C53 1.383(8) . ?
O15 C54 1.450(7) . ?
O16 H16A 0.8400 . ?
O16 C58 1.399(9) . ?
O17 C65 1.259(8) . ?
O18 C68 1.344(7) . ?
O19 C69 1.373(9) . ?
O19 C70 1.424(9) . ?
O20 H20 0.8400 . ?
O20 C74 1.424(9) . ?
O21 C81 1.246(8) . ?
O22 C84 1.329(7) . ?
O23 C85 1.378(8) . ?
O23 C86 1.427(8) . ?
O24 H24A 0.8797 . ?
O24 C90 1.445(9) . ?
N7 H7A 0.8800 . ?
N7 N8 1.398(7) . ?
N7 C49 1.323(9) . ?
N8 C50 1.277(9) . ?
N9 H9A 0.8800 . ?
N9 N10 1.384(8) . ?
N9 C65 1.330(9) . ?
N10 C66 1.313(8) . ?
N11 H11 0.8800 . ?
N11 N12 1.395(7) . ?
N11 C81 1.326(9) . ?
N12 C82 1.309(9) . ?
C49 C58 1.531(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.442(9) . ?
C51 C52 1.412(9) . ?
C51 C57 1.414(9) . ?
C52 C53 1.422(8) . ?
C53 C55 1.374(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55 0.9500 . ?
C55 C56 1.395(10) . ?
C56 H56 0.9500 . ?
C56 C57 1.366(10) . ?
C57 H57 0.9500 . ?
C58 H58 1.0000 . ?
C58 C59 1.515(10) . ?
C59 C60 1.378(12) . ?
C59 C64 1.387(12) . ?
C60 H60 0.9500 . ?
C60 C61 1.402(13) . ?
C61 H61 0.9500 . ?
C61 C62 1.355(17) . ?
C62 H62 0.9500 . ?
C62 C63 1.405(19) . ?
C63 H63 0.9500 . ?
C63 C64 1.387(15) . ?
C64 H64 0.9500 . ?
C65 C74 1.498(10) . ?
C66 H66 0.9500 . ?
C66 C67 1.435(11) . ?
C67 C68 1.416(10) . ?
C67 C73 1.415(9) . ?
C68 C69 1.414(10) . ?
C69 C71 1.384(9) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71 0.9500 . ?
C71 C72 1.389(12) . ?
C72 H72 0.9500 . ?
C72 C73 1.371(12) . ?
C73 H73 0.9500 . ?
C74 H74 1.0000 . ?
C74 C75 1.504(11) . ?
C75 C76 1.378(12) . ?
C75 C80 1.391(13) . ?
C76 H76 0.9500 . ?
C76 C77 1.344(12) . ?
C77 H77 0.9500 . ?
C77 C78 1.348(15) . ?
C78 H78 0.9500 . ?
C78 C79 1.413(17) . ?
C79 H79 0.9500 . ?
C79 C80 1.400(15) . ?
C80 H80 0.9500 . ?
C81 C90 1.530(9) . ?
C82 H82 0.9500 . ?
C82 C83 1.446(9) . ?
C83 C84 1.401(9) . ?
C83 C89 1.396(9) . ?
C84 C85 1.421(9) . ?
C85 C87 1.384(10) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87 0.9500 . ?
C87 C88 1.393(11) . ?
C88 H88 0.9500 . ?
C88 C89 1.377(11) . ?
C89 H89 0.9500 . ?
C90 H90 1.0000 . ?
C90 C91 1.504(11) . ?
C91 C92 1.366(14) . ?
C91 C96 1.387(14) . ?
C92 H92 0.9500 . ?
C92 C93 1.366(14) . ?
C93 H93 0.9500 . ?
C93 C94 1.39(2) . ?
C94 H94 0.9500 . ?
C94 C95 1.38(2) . ?
C95 H95 0.9500 . ?
C95 C96 1.380(16) . ?
C96 H96 0.9500 . ?
O25 N13 1.258(9) . ?
O26 N13 1.252(10) . ?
O27 N13 1.251(8) . ?
O28 N14 1.271(17) . ?
O29 N14 1.193(15) . ?
O30 N14 1.290(14) . ?
O31 H31B 0.8708 . ?
O31 H31C 0.8891 . ?
O31 N15 1.26(2) . ?
O32 N15 1.32(2) . ?
O33 N15 1.300(19) . ?
Cl1 C103 1.68(2) . ?
O35 H35A 0.8335 . ?
O35 H35B 0.8515 . ?
O36 H36A 0.8595 . ?
O36 H36B 0.8867 . ?
O38 H38D 0.8957 . ?
O38 H38E 0.8982 . ?
N16 C97 1.14(2) . ?
C97 C98 1.51(3) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
N17 C99 1.07(2) . ?
C99 C100 1.38(3) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
N18 C101 1.315(14) . ?
C101 C102 1.287(16) . ?
C102 H10D 0.9803 . ?
C102 H10E 0.9799 . ?
C102 H10F 0.9800 . ?
Cl2 C103 1.55(2) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.45(5) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.36(5) . ?
C30A H30A 0.9500 . ?
C30A C31A 1.24(5) . ?
C31A H31A 0.9500 . ?
C31A C32A 1.82(6) . ?
C32A H32A 0.9500 . ?
C103 H10G 0.9900 . ?
C103 H10H 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Na1 Dy1 Na1 54.84(7) 4_566 . ?
Na1 Dy1 Na4 55.27(6) 4_566 . ?
Na4 Dy1 Na1 55.20(6) . . ?
O1 Dy1 Na1 104.99(12) . . ?
O1 Dy1 Na1 114.95(13) . 4_566 ?
O1 Dy1 Na4 160.18(12) . . ?
O1 Dy1 O5 82.06(17) . . ?
O1 Dy1 O9 82.90(17) . . ?
O1 Dy1 N2 62.89(17) . . ?
O1 Dy1 N4 68.04(17) . . ?
O1 Dy1 N6 135.15(18) . . ?
O2 Dy1 Na1 43.88(12) . . ?
O2 Dy1 Na1 80.34(12) . 4_566 ?
O2 Dy1 Na4 36.84(11) . . ?
O2 Dy1 O1 130.62(16) . . ?
O2 Dy1 O5 141.54(17) . . ?
O2 Dy1 O6 80.74(16) . . ?
O2 Dy1 O9 82.50(17) . . ?
O2 Dy1 N2 67.95(17) . . ?
O2 Dy1 N4 141.38(18) . . ?
O2 Dy1 N6 74.33(18) . . ?
O5 Dy1 Na1 160.72(13) . . ?
O5 Dy1 Na1 105.88(13) . 4_566 ?
O5 Dy1 Na4 116.42(13) . . ?
O5 Dy1 N2 135.28(18) . . ?
O5 Dy1 N4 62.04(18) . . ?
O5 Dy1 N6 67.36(18) . . ?
O6 Dy1 Na1 42.82(12) . 4_566 ?
O6 Dy1 Na1 37.09(12) . . ?
O6 Dy1 Na4 80.22(12) . . ?
O6 Dy1 O1 82.17(17) . . ?
O6 Dy1 O5 129.79(17) . . ?
O6 Dy1 O9 141.45(16) . . ?
O6 Dy1 N2 74.46(17) . . ?
O6 Dy1 N4 67.83(18) . . ?
O6 Dy1 N6 142.65(17) . . ?
O9 Dy1 Na1 160.82(13) . 4_566 ?
O9 Dy1 Na1 115.78(12) . . ?
O9 Dy1 Na4 105.57(13) . . ?
O9 Dy1 O5 82.60(17) . . ?
O9 Dy1 N2 67.09(18) . . ?
O9 Dy1 N4 136.12(18) . . ?
O9 Dy1 N6 61.98(17) . . ?
O10 Dy1 Na1 79.96(12) . . ?
O10 Dy1 Na1 37.50(12) . 4_566 ?
O10 Dy1 Na4 42.83(12) . . ?
O10 Dy1 O1 141.46(17) . . ?
O10 Dy1 O2 79.52(17) . . ?
O10 Dy1 O5 83.50(17) . . ?
O10 Dy1 O6 80.10(16) . . ?
O10 Dy1 O9 130.16(17) . . ?
O10 Dy1 N2 141.20(17) . . ?
O10 Dy1 N4 73.61(17) . . ?
O10 Dy1 N6 68.46(17) . . ?
N2 Dy1 Na1 113.48(14) . 4_566 ?
N2 Dy1 Na1 62.07(13) . . ?
N2 Dy1 Na4 103.34(13) . . ?
N2 Dy1 N4 120.77(18) . . ?
N2 Dy1 N6 119.09(18) . . ?
N4 Dy1 Na1 61.45(14) . 4_566 ?
N4 Dy1 Na1 103.42(14) . . ?
N4 Dy1 Na4 112.85(13) . . ?
N6 Dy1 Na1 114.74(14) . . ?
N6 Dy1 Na1 104.80(13) . 4_566 ?
N6 Dy1 Na4 63.14(14) . . ?
N6 Dy1 N4 118.73(18) . . ?
Dy1 Na1 Dy1 115.50(7) 4_566 . ?
Na1 Na1 Dy1 62.43(8) 4_566 . ?
Na1 Na1 Dy1 62.73(8) 4_566 4_566 ?
Na1 Na1 Na4 60.23(5) 4_566 . ?
Na4 Na1 Dy1 62.50(4) . 4_566 ?
Na4 Na1 Dy1 62.39(5) . . ?
O2 Na1 Dy1 104.55(13) . 4_566 ?
O2 Na1 Dy1 38.37(10) . . ?
O2 Na1 Na1 82.95(12) . 4_566 ?
O2 Na1 Na4 42.34(11) . . ?
O6 Na1 Dy1 110.59(14) . 4_566 ?
O6 Na1 Dy1 37.30(12) . . ?
O6 Na1 Dy1 38.59(11) 4_566 4_566 ?
O6 Na1 Dy1 105.04(13) 4_566 . ?
O6 Na1 Na1 42.89(12) 4_566 4_566 ?
O6 Na1 Na1 48.18(13) . 4_566 ?
O6 Na1 Na4 86.60(14) . . ?
O6 Na1 Na4 83.37(12) 4_566 . ?
O6 Na1 O2 75.46(16) . . ?
O6 Na1 O2 120.76(17) 4_566 . ?
O6 Na1 O6 80.77(19) . 4_566 ?
O6 Na1 O7 69.50(18) . . ?
O6 Na1 O10 130.2(2) . 4_566 ?
O6 Na1 O11 152.8(2) . 4_566 ?
O7 Na1 Dy1 95.90(15) . . ?
O7 Na1 Dy1 126.34(17) . 4_566 ?
O7 Na1 Na1 101.97(14) . 4_566 ?
O7 Na1 Na4 156.07(16) . . ?
O7 Na1 O2 125.3(2) . . ?
O7 Na1 O6 93.65(19) . 4_566 ?
O10 Na1 Dy1 37.03(12) 4_566 4_566 ?
O10 Na1 Dy1 110.08(15) 4_566 . ?
O10 Na1 Na1 86.45(14) 4_566 4_566 ?
O10 Na1 Na4 48.00(13) 4_566 . ?
O10 Na1 O2 80.26(17) 4_566 . ?
O10 Na1 O6 75.41(17) 4_566 4_566 ?
O10 Na1 O7 153.6(2) 4_566 . ?
O10 Na1 O11 69.82(18) 4_566 4_566 ?
O11 Na1 Dy1 125.38(16) 4_566 . ?
O11 Na1 Dy1 96.09(14) 4_566 4_566 ?
O11 Na1 Na1 156.27(16) 4_566 4_566 ?
O11 Na1 Na4 101.60(15) 4_566 . ?
O11 Na1 O2 93.08(18) 4_566 . ?
O11 Na1 O6 125.7(2) 4_566 4_566 ?
O11 Na1 O7 99.4(2) 4_566 . ?
Dy1 Na4 Dy1 115.29(10) 4_566 . ?
Na1 Na4 Dy1 62.22(7) 4_566 . ?
Na1 Na4 Dy1 62.41(7) . . ?
Na1 Na4 Dy1 62.22(7) . 4_566 ?
Na1 Na4 Dy1 62.41(7) 4_566 4_566 ?
Na1 Na4 Na1 59.53(11) 4_566 . ?
O2 Na4 Dy1 110.90(16) . 4_566 ?
O2 Na4 Dy1 37.01(11) 4_566 4_566 ?
O2 Na4 Dy1 110.90(16) 4_566 . ?
O2 Na4 Dy1 37.00(11) . . ?
O2 Na4 Na1 49.01(14) . . ?
O2 Na4 Na1 49.01(14) 4_566 4_566 ?
O2 Na4 Na1 86.51(16) . 4_566 ?
O2 Na4 Na1 86.51(16) 4_566 . ?
O2 Na4 O2 131.2(3) 4_566 . ?
O2 Na4 O3 150.94(19) 4_566 . ?
O2 Na4 O3 150.94(19) . 4_566 ?
O2 Na4 O3 70.43(17) 4_566 4_566 ?
O2 Na4 O3 70.42(17) . . ?
O2 Na4 O10 74.84(16) . . ?
O2 Na4 O10 81.53(17) . 4_566 ?
O2 Na4 O10 81.53(17) 4_566 . ?
O2 Na4 O10 74.84(16) 4_566 4_566 ?
O2 Na4 C4 145.9(2) . 4_566 ?
O2 Na4 C4 22.44(16) . . ?
O2 Na4 C4 22.44(16) 4_566 4_566 ?
O2 Na4 C4 145.9(2) 4_566 . ?
O3 Na4 Dy1 97.59(12) 4_566 4_566 ?
O3 Na4 Dy1 124.53(14) 4_566 . ?
O3 Na4 Dy1 124.53(14) . 4_566 ?
O3 Na4 Dy1 97.58(13) . . ?
O3 Na4 Na1 102.33(14) 4_566 4_566 ?
O3 Na4 Na1 156.92(16) . 4_566 ?
O3 Na4 Na1 102.33(14) . . ?
O3 Na4 Na1 156.92(16) 4_566 . ?
O3 Na4 O3 98.5(3) 4_566 . ?
O3 Na4 O10 126.71(17) . . ?
O3 Na4 O10 92.80(17) 4_566 . ?
O3 Na4 O10 126.71(17) 4_566 4_566 ?
O3 Na4 O10 92.80(17) . 4_566 ?
O3 Na4 C4 49.27(18) . . ?
O3 Na4 C4 143.6(2) 4_566 . ?
O3 Na4 C4 49.27(18) 4_566 4_566 ?
O3 Na4 C4 143.6(2) . 4_566 ?
O10 Na4 Dy1 104.97(14) . 4_566 ?
O10 Na4 Dy1 104.97(14) 4_566 . ?
O10 Na4 Dy1 37.97(10) 4_566 4_566 ?
O10 Na4 Dy1 37.97(10) . . ?
O10 Na4 Na1 82.74(14) . . ?
O10 Na4 Na1 42.84(12) . 4_566 ?
O10 Na4 Na1 42.83(12) 4_566 . ?
O10 Na4 Na1 82.74(14) 4_566 4_566 ?
O10 Na4 O10 120.6(2) 4_566 . ?
O10 Na4 C4 95.51(17) . . ?
O10 Na4 C4 77.79(17) 4_566 . ?
O10 Na4 C4 95.51(17) 4_566 4_566 ?
O10 Na4 C4 77.79(17) . 4_566 ?
C4 Na4 Dy1 57.68(13) 4_566 4_566 ?
C4 Na4 Dy1 114.19(14) 4_566 . ?
C4 Na4 Dy1 57.68(13) . . ?
C4 Na4 Dy1 114.19(14) . 4_566 ?
C4 Na4 Na1 107.78(16) . 4_566 ?
C4 Na4 Na1 59.48(14) 4_566 4_566 ?
C4 Na4 Na1 59.48(14) . . ?
C4 Na4 Na1 107.78(16) 4_566 . ?
C4 Na4 C4 166.6(3) . 4_566 ?
C1 O1 Dy1 122.6(4) . . ?
Dy1 O2 Na1 97.75(17) . . ?
Na4 O2 Dy1 106.15(18) . . ?
Na4 O2 Na1 88.65(18) . . ?
C4 O2 Dy1 130.2(4) . . ?
C4 O2 Na1 108.5(4) . . ?
C4 O2 Na4 115.8(4) . . ?
C5 O3 Na4 114.6(4) . . ?
C5 O3 C6 116.5(6) . . ?
C6 O3 Na4 126.0(5) . . ?
C10 O4 H4 109.5 . . ?
C17 O5 Dy1 121.1(5) . . ?
Dy1 O6 Na1 98.58(17) . 4_566 ?
Na1 O6 Dy1 105.61(19) . . ?
Na1 O6 Na1 88.93(18) . 4_566 ?
C20 O6 Dy1 128.4(4) . . ?
C20 O6 Na1 110.2(4) . 4_566 ?
C20 O6 Na1 116.5(4) . . ?
C21 O7 Na1 115.8(4) . . ?
C21 O7 C22 115.9(6) . . ?
C22 O7 Na1 125.8(5) . . ?
C26 O8 H8 129.5 . . ?
C33 O9 Dy1 124.3(5) . . ?
Dy1 O10 Na1 105.47(18) . 4_566 ?
Dy1 O10 Na4 99.20(17) . . ?
Na1 O10 Na4 89.16(18) 4_566 . ?
C36 O10 Dy1 128.5(4) . . ?
C36 O10 Na1 115.7(4) . 4_566 ?
C36 O10 Na4 110.5(4) . . ?
C37 O11 Na1 115.8(4) . 4_566 ?
C37 O11 C38 116.4(6) . . ?
C38 O11 Na1 125.5(5) . 4_566 ?
C42 O12 H12 116.2 . . ?
N2 N1 H1 122.1 . . ?
C1 N1 H1 122.1 . . ?
C1 N1 N2 115.8(6) . . ?
N1 N2 Dy1 113.5(4) . . ?
C2 N2 Dy1 131.4(5) . . ?
C2 N2 N1 114.5(6) . . ?
N4 N3 H3 113.8 . . ?
C17 N3 H3 114.1 . . ?
C17 N3 N4 115.6(6) . . ?
N3 N4 Dy1 113.1(4) . . ?
C18 N4 Dy1 130.9(5) . . ?
C18 N4 N3 115.5(6) . . ?
N6 N5 H5 122.5 . . ?
C33 N5 H5 122.5 . . ?
C33 N5 N6 114.9(6) . . ?
N5 N6 Dy1 113.7(4) . . ?
C34 N6 Dy1 131.5(5) . . ?
C34 N6 N5 114.4(6) . . ?
O1 C1 N1 122.0(6) . . ?
O1 C1 C10 121.3(6) . . ?
N1 C1 C10 116.7(6) . . ?
N2 C2 H2 118.3 . . ?
N2 C2 C3 123.4(6) . . ?
C3 C2 H2 118.3 . . ?
C4 C3 C2 121.4(6) . . ?
C9 C3 C2 117.5(7) . . ?
C9 C3 C4 121.0(7) . . ?
O2 C4 Na4 41.8(3) . . ?
O2 C4 C3 124.2(6) . . ?
O2 C4 C5 119.8(6) . . ?
C3 C4 Na4 160.9(5) . . ?
C3 C4 C5 116.0(6) . . ?
C5 C4 Na4 79.2(4) . . ?
O3 C5 C4 114.9(6) . . ?
C7 C5 O3 123.7(7) . . ?
C7 C5 C4 121.5(7) . . ?
O3 C6 H6A 109.5 . . ?
O3 C6 H6B 109.5 . . ?
O3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7 119.8 . . ?
C5 C7 C8 120.3(7) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8A 120.3 . . ?
C9 C8 C7 119.4(7) . . ?
C9 C8 H8A 120.3 . . ?
C3 C9 H9 119.2 . . ?
C8 C9 C3 121.7(8) . . ?
C8 C9 H9 119.2 . . ?
O4 C10 C1 109.7(6) . . ?
O4 C10 H10 108.2 . . ?
O4 C10 C11 112.1(7) . . ?
C1 C10 H10 108.2 . . ?
C1 C10 C11 110.4(6) . . ?
C11 C10 H10 108.2 . . ?
C12 C11 C10 119.6(7) . . ?
C16 C11 C10 122.7(7) . . ?
C16 C11 C12 117.7(8) . . ?
C11 C12 H12A 119.2 . . ?
C13 C12 C11 121.7(9) . . ?
C13 C12 H12A 119.2 . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.6(9) . . ?
C14 C13 H13 120.7 . . ?
C13 C14 H14 118.9 . . ?
C13 C14 C15 122.1(9) . . ?
C15 C14 H14 118.9 . . ?
C14 C15 H15 121.1 . . ?
C16 C15 C14 117.8(9) . . ?
C16 C15 H15 121.1 . . ?
C11 C16 C15 122.1(9) . . ?
C11 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
O5 C17 N3 122.8(7) . . ?
O5 C17 C26 119.6(8) . . ?
N3 C17 C26 117.6(7) . . ?
N4 C18 H18 118.8 . . ?
N4 C18 C19 122.5(7) . . ?
C19 C18 H18 118.8 . . ?
C20 C19 C18 121.8(7) . . ?
C20 C19 C25 121.4(7) . . ?
C25 C19 C18 116.7(7) . . ?
O6 C20 C19 124.0(7) . . ?
O6 C20 C21 119.7(7) . . ?
C19 C20 C21 116.3(6) . . ?
O7 C21 C20 114.4(6) . . ?
C23 C21 O7 124.5(7) . . ?
C23 C21 C20 121.0(7) . . ?
O7 C22 H22A 109.5 . . ?
O7 C22 H22B 109.5 . . ?
O7 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23 119.5 . . ?
C24 C23 C21 120.9(8) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.3(7) . . ?
C25 C24 H24 119.8 . . ?
C19 C25 H25 120.1 . . ?
C24 C25 C19 119.8(8) . . ?
C24 C25 H25 120.1 . . ?
O8 C26 C17 110.4(8) . . ?
O8 C26 H26 109.2 . . ?
O8 C26 C27 107.6(8) . . ?
C17 C26 H26 109.2 . . ?
C27 C26 C17 111.2(8) . . ?
C27 C26 H26 109.2 . . ?
C28 C27 C26 117.4(17) . . ?
C28 C27 C32 122(2) . . ?
C32 C27 C26 117.0(12) . . ?
C28A C27 C26 125.9(19) . . ?
C32A C27 C26 110(2) . . ?
C32A C27 C28A 106(3) . . ?
C27 C28 H28 120.6 . . ?
C27 C28 C29 119(3) . . ?
C29 C28 H28 120.6 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 121(3) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 122.1 . . ?
C29 C30 C31 116(3) . . ?
C31 C30 H30 122.1 . . ?
C30 C31 H31 118.9 . . ?
C32 C31 C30 122(2) . . ?
C32 C31 H31 118.9 . . ?
C27 C32 H32 121.1 . . ?
C31 C32 C27 117.8(19) . . ?
C31 C32 H32 121.1 . . ?
O9 C33 N5 121.3(6) . . ?
O9 C33 C42 121.7(7) . . ?
N5 C33 C42 117.0(7) . . ?
N6 C34 H34 119.3 . . ?
N6 C34 C35 121.4(7) . . ?
C35 C34 H34 119.3 . . ?
C36 C35 C34 122.9(6) . . ?
C36 C35 C41 120.5(7) . . ?
C41 C35 C34 116.5(7) . . ?
O10 C36 C35 123.1(6) . . ?
O10 C36 C37 120.0(6) . . ?
C35 C36 C37 116.9(6) . . ?
O11 C37 C36 115.1(6) . . ?
O11 C37 C39 124.2(7) . . ?
C39 C37 C36 120.7(7) . . ?
O11 C38 H38A 109.5 . . ?
O11 C38 H38B 109.5 . . ?
O11 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39 119.4 . . ?
C37 C39 C40 121.2(7) . . ?
C40 C39 H39 119.4 . . ?
C39 C40 H40 120.4 . . ?
C41 C40 C39 119.3(7) . . ?
C41 C40 H40 120.4 . . ?
C35 C41 H41 119.4 . . ?
C40 C41 C35 121.3(8) . . ?
C40 C41 H41 119.4 . . ?
O12 C42 C33 110.8(7) . . ?
O12 C42 H42 106.8 . . ?
O12 C42 C43 114.9(8) . . ?
C33 C42 H42 106.8 . . ?
C43 C42 C33 110.2(7) . . ?
C43 C42 H42 106.8 . . ?
C44 C43 C42 119.0(9) . . ?
C48 C43 C42 120.7(10) . . ?
C48 C43 C44 120.2(11) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.7(12) . . ?
C45 C44 H44 119.6 . . ?
C44 C45 H45 121.1 . . ?
C44 C45 C46 117.9(14) . . ?
C46 C45 H45 121.1 . . ?
C45 C46 H46 118.9 . . ?
C47 C46 C45 122.2(12) . . ?
C47 C46 H46 118.9 . . ?
C46 C47 H47 120.8 . . ?
C48 C47 C46 118.3(12) . . ?
C48 C47 H47 120.8 . . ?
C43 C48 C47 120.6(12) . . ?
C43 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
Na2 Dy2 Na3 55.51(5) . . ?
Na2 Dy2 Na3 55.50(5) . 3_656 ?
Na3 Dy2 Na3 55.27(7) . 3_656 ?
O13 Dy2 Na2 159.65(12) . . ?
O13 Dy2 Na3 104.15(12) . . ?
O13 Dy2 Na3 115.78(12) . 3_656 ?
O13 Dy2 O21 83.72(15) . 3_656 ?
O13 Dy2 N8 62.43(16) . . ?
O13 Dy2 N10 67.87(17) . . ?
O13 Dy2 N12 137.81(17) . 3_656 ?
O14 Dy2 Na2 36.96(10) . . ?
O14 Dy2 Na3 44.86(11) . . ?
O14 Dy2 Na3 81.26(11) . 3_656 ?
O14 Dy2 O13 129.43(15) . . ?
O14 Dy2 O17 140.05(14) . . ?
O14 Dy2 O21 81.60(15) . 3_656 ?
O14 Dy2 O22 81.30(14) . 3_656 ?
O14 Dy2 N8 67.14(15) . . ?
O14 Dy2 N10 142.75(17) . . ?
O14 Dy2 N12 72.62(15) . 3_656 ?
O17 Dy2 Na2 114.83(11) . . ?
O17 Dy2 Na3 159.38(12) . . ?
O17 Dy2 Na3 104.11(12) . 3_656 ?
O17 Dy2 O13 84.52(16) . . ?
O17 Dy2 O21 82.44(16) . 3_656 ?
O17 Dy2 N8 137.30(17) . . ?
O17 Dy2 N10 62.27(17) . . ?
O17 Dy2 N12 67.52(16) . 3_656 ?
O18 Dy2 Na2 81.17(12) . . ?
O18 Dy2 Na3 37.06(12) . . ?
O18 Dy2 Na3 44.20(11) . 3_656 ?
O18 Dy2 O13 81.35(16) . . ?
O18 Dy2 O14 81.78(15) . . ?
O18 Dy2 O17 129.66(16) . . ?
O18 Dy2 O21 142.50(16) . 3_656 ?
O18 Dy2 O22 80.80(15) . 3_656 ?
O18 Dy2 N8 74.06(17) . . ?
O18 Dy2 N10 67.64(17) . . ?
O18 Dy2 N12 140.83(17) . 3_656 ?
O21 Dy2 Na2 104.21(11) 3_656 . ?
O21 Dy2 Na3 116.73(12) 3_656 . ?
O21 Dy2 Na3 159.66(11) 3_656 3_656 ?
O21 Dy2 N8 68.53(17) 3_656 . ?
O21 Dy2 N10 135.65(18) 3_656 . ?
O21 Dy2 N12 62.52(17) 3_656 3_656 ?
O22 Dy2 Na2 44.48(10) 3_656 . ?
O22 Dy2 Na3 36.71(11) 3_656 3_656 ?
O22 Dy2 Na3 80.79(11) 3_656 . ?
O22 Dy2 O13 141.19(15) 3_656 . ?
O22 Dy2 O17 80.90(15) 3_656 . ?
O22 Dy2 O21 129.09(15) 3_656 3_656 ?
O22 Dy2 N8 141.77(16) 3_656 . ?
O22 Dy2 N10 73.51(16) 3_656 . ?
O22 Dy2 N12 66.64(16) 3_656 3_656 ?
N8 Dy2 Na2 102.56(12) . . ?
N8 Dy2 Na3 61.78(13) . . ?
N8 Dy2 Na3 114.04(13) . 3_656 ?
N10 Dy2 Na2 114.28(13) . . ?
N10 Dy2 Na3 62.12(14) . 3_656 ?
N10 Dy2 Na3 103.22(14) . . ?
N10 Dy2 N8 120.30(17) . . ?
N12 Dy2 Na2 60.51(13) 3_656 . ?
N12 Dy2 Na3 113.09(13) 3_656 . ?
N12 Dy2 Na3 101.73(13) 3_656 3_656 ?
N12 Dy2 N8 119.58(17) 3_656 . ?
N12 Dy2 N10 119.18(17) 3_656 . ?
Dy2 Na2 Dy2 115.45(8) 3_656 . ?
Na3 Na2 Dy2 62.44(6) . 3_656 ?
Na3 Na2 Dy2 62.42(6) 3_656 3_656 ?
Na3 Na2 Dy2 62.45(6) 3_656 . ?
Na3 Na2 Dy2 62.43(6) . . ?
Na3 Na2 Na3 59.86(10) 3_656 . ?
O14 Na2 Dy2 37.34(10) . . ?
O14 Na2 Dy2 111.80(14) . 3_656 ?
O14 Na2 Dy2 37.34(10) 3_656 3_656 ?
O14 Na2 Dy2 111.80(13) 3_656 . ?
O14 Na2 Na3 87.62(13) . 3_656 ?
O14 Na2 Na3 49.75(12) 3_656 3_656 ?
O14 Na2 Na3 49.75(12) . . ?
O14 Na2 Na3 87.62(13) 3_656 . ?
O14 Na2 O14 133.2(2) 3_656 . ?
O14 Na2 O15 70.89(14) 3_656 3_656 ?
O14 Na2 O15 148.50(17) . 3_656 ?
O14 Na2 O15 148.50(17) 3_656 . ?
O14 Na2 O15 70.89(14) . . ?
O14 Na2 O22 80.81(15) . . ?
O14 Na2 O22 80.81(15) 3_656 3_656 ?
O14 Na2 O22 76.27(14) 3_656 . ?
O14 Na2 O22 76.27(14) . 3_656 ?
O14 Na2 C52 22.80(15) . . ?
O14 Na2 C52 148.12(18) . 3_656 ?
O14 Na2 C52 148.12(18) 3_656 . ?
O14 Na2 C52 22.80(15) 3_656 3_656 ?
O15 Na2 Dy2 123.14(11) . 3_656 ?
O15 Na2 Dy2 123.14(11) 3_656 . ?
O15 Na2 Dy2 99.22(11) 3_656 3_656 ?
O15 Na2 Dy2 99.22(11) . . ?
O15 Na2 Na3 102.56(12) . . ?
O15 Na2 Na3 158.41(13) 3_656 . ?
O15 Na2 Na3 102.56(12) 3_656 3_656 ?
O15 Na2 Na3 158.41(13) . 3_656 ?
O15 Na2 O15 97.1(2) . 3_656 ?
O15 Na2 O22 129.61(15) 3_656 . ?
O15 Na2 O22 129.60(15) . 3_656 ?
O15 Na2 O22 91.42(14) 3_656 3_656 ?
O15 Na2 O22 91.42(14) . . ?
O15 Na2 C52 49.11(15) . . ?
O15 Na2 C52 140.89(18) 3_656 . ?
O15 Na2 C52 140.89(18) . 3_656 ?
O15 Na2 C52 49.11(15) 3_656 3_656 ?
O22 Na2 Dy2 104.02(12) . . ?
O22 Na2 Dy2 39.07(9) . 3_656 ?
O22 Na2 Dy2 39.06(9) 3_656 . ?
O22 Na2 Dy2 104.02(12) 3_656 3_656 ?
O22 Na2 Na3 82.92(12) 3_656 . ?
O22 Na2 Na3 82.91(12) . 3_656 ?
O22 Na2 Na3 41.95(11) 3_656 3_656 ?
O22 Na2 Na3 41.94(11) . . ?
O22 Na2 O22 120.0(2) . 3_656 ?
O22 Na2 C52 97.29(15) 3_656 . ?
O22 Na2 C52 97.29(15) . 3_656 ?
O22 Na2 C52 77.38(15) 3_656 3_656 ?
O22 Na2 C52 77.38(15) . . ?
C52 Na2 Dy2 58.39(12) 3_656 3_656 ?
C52 Na2 Dy2 58.39(12) . . ?
C52 Na2 Dy2 115.23(12) 3_656 . ?
C52 Na2 Dy2 115.23(12) . 3_656 ?
C52 Na2 Na3 109.32(14) 3_656 . ?
C52 Na2 Na3 60.68(12) 3_656 3_656 ?
C52 Na2 Na3 109.32(14) . 3_656 ?
C52 Na2 Na3 60.68(12) . . ?
C52 Na2 C52 169.5(2) . 3_656 ?
Dy2 Na3 Dy2 114.83(6) . 3_656 ?
Na2 Na3 Dy2 62.06(4) . 3_656 ?
Na2 Na3 Dy2 62.07(4) . . ?
Na3 Na3 Dy2 62.38(8) 3_656 . ?
Na3 Na3 Dy2 62.35(8) 3_656 3_656 ?
Na3 Na3 Na2 60.07(5) 3_656 . ?
O14 Na3 Dy2 103.73(11) . 3_656 ?
O14 Na3 Dy2 38.60(9) . . ?
O14 Na3 Na2 42.00(10) . . ?
O14 Na3 Na3 82.98(12) . 3_656 ?
O14 Na3 C68 96.61(17) . . ?
O14 Na3 C84 77.03(15) . . ?
O18 Na3 Dy2 111.34(14) . 3_656 ?
O18 Na3 Dy2 104.61(13) 3_656 . ?
O18 Na3 Dy2 37.07(10) . . ?
O18 Na3 Dy2 38.41(10) 3_656 3_656 ?
O18 Na3 Na2 86.91(12) . . ?
O18 Na3 Na2 82.77(11) 3_656 . ?
O18 Na3 Na3 49.25(13) . 3_656 ?
O18 Na3 Na3 42.46(12) 3_656 3_656 ?
O18 Na3 O14 120.09(16) 3_656 . ?
O18 Na3 O14 75.53(15) . . ?
O18 Na3 O18 81.63(18) . 3_656 ?
O18 Na3 O19 70.99(17) . . ?
O18 Na3 O23 149.9(2) . . ?
O18 Na3 C68 78.55(16) 3_656 . ?
O18 Na3 C68 23.06(16) . . ?
O18 Na3 C84 146.97(18) . . ?
O18 Na3 C84 96.71(17) 3_656 . ?
O19 Na3 Dy2 122.88(15) . 3_656 ?
O19 Na3 Dy2 99.35(15) . . ?
O19 Na3 Na2 157.73(16) . . ?
O19 Na3 Na3 101.41(14) . 3_656 ?
O19 Na3 O14 129.68(19) . . ?
O19 Na3 O18 91.04(17) . 3_656 ?
O19 Na3 O23 97.31(19) . . ?
O19 Na3 C68 48.73(18) . . ?
O19 Na3 C84 141.9(2) . . ?
O22 Na3 Dy2 37.44(11) . 3_656 ?
O22 Na3 Dy2 110.74(13) . . ?
O22 Na3 Na2 49.09(11) . . ?
O22 Na3 Na3 87.52(13) . 3_656 ?
O22 Na3 O14 80.30(15) . . ?
O22 Na3 O18 75.74(15) . 3_656 ?
O22 Na3 O18 132.12(18) . . ?
O22 Na3 O19 149.3(2) . . ?
O22 Na3 O23 70.95(17) . . ?
O22 Na3 C68 147.94(19) . . ?
O22 Na3 C84 22.89(16) . . ?
O23 Na3 Dy2 124.80(15) . . ?
O23 Na3 Dy2 98.41(14) . 3_656 ?
O23 Na3 Na2 103.47(13) . . ?
O23 Na3 Na3 158.46(16) . 3_656 ?
O23 Na3 O14 93.22(16) . . ?
O23 Na3 O18 127.3(2) . 3_656 ?
O23 Na3 C68 141.01(19) . . ?
O23 Na3 C84 49.32(16) . . ?
C68 Na3 Dy2 115.49(14) . 3_656 ?
C68 Na3 Dy2 58.21(14) . . ?
C68 Na3 Na2 109.00(15) . . ?
C68 Na3 Na3 60.49(14) . 3_656 ?
C84 Na3 Dy2 114.37(13) . . ?
C84 Na3 Dy2 58.51(12) . 3_656 ?
C84 Na3 Na2 60.28(12) . . ?
C84 Na3 Na3 109.36(14) . 3_656 ?
C84 Na3 C68 168.98(19) . . ?
C49 O13 Dy2 121.3(4) . . ?
Dy2 O14 Na3 96.55(14) . . ?
Na2 O14 Dy2 105.70(16) . . ?
Na2 O14 Na3 88.24(16) . . ?
C52 O14 Dy2 131.2(4) . . ?
C52 O14 Na2 115.2(4) . . ?
C52 O14 Na3 109.7(4) . . ?
C53 O15 Na2 115.1(3) . . ?
C53 O15 C54 116.5(5) . . ?
C54 O15 Na2 126.7(4) . . ?
C58 O16 H16A 109.5 . . ?
C65 O17 Dy2 123.2(4) . . ?
Dy2 O18 Na3 97.39(15) . 3_656 ?
Na3 O18 Dy2 105.87(16) . . ?
Na3 O18 Na3 88.29(17) . 3_656 ?
C68 O18 Dy2 130.7(4) . . ?
C68 O18 Na3 110.1(4) . 3_656 ?
C68 O18 Na3 114.8(4) . . ?
C69 O19 Na3 115.6(4) . . ?
C69 O19 C70 116.7(5) . . ?
C70 O19 Na3 125.9(4) . . ?
C74 O20 H20 109.5 . . ?
C81 O21 Dy2 120.7(4) . 3_656 ?
Dy2 O22 Na2 96.46(14) 3_656 . ?
Na3 O22 Dy2 105.84(17) . 3_656 ?
Na3 O22 Na2 88.97(16) . . ?
C84 O22 Dy2 130.8(4) . 3_656 ?
C84 O22 Na2 109.8(3) . . ?
C84 O22 Na3 115.1(4) . . ?
C85 O23 Na3 114.4(4) . . ?
C85 O23 C86 116.9(5) . . ?
C86 O23 Na3 125.9(5) . . ?
C90 O24 H24A 131.8 . . ?
N8 N7 H7A 122.0 . . ?
C49 N7 H7A 122.0 . . ?
C49 N7 N8 116.0(5) . . ?
N7 N8 Dy2 112.8(4) . . ?
C50 N8 Dy2 131.5(4) . . ?
C50 N8 N7 115.2(6) . . ?
N10 N9 H9A 122.0 . . ?
C65 N9 H9A 122.0 . . ?
C65 N9 N10 116.0(6) . . ?
N9 N10 Dy2 113.4(4) . . ?
C66 N10 Dy2 130.9(5) . . ?
C66 N10 N9 115.1(6) . . ?
N12 N11 H11 122.5 . . ?
C81 N11 H11 122.5 . . ?
C81 N11 N12 115.0(5) . . ?
N11 N12 Dy2 113.8(4) . 3_656 ?
C82 N12 Dy2 131.8(4) . 3_656 ?
C82 N12 N11 113.5(5) . . ?
O13 C49 N7 122.0(6) . . ?
O13 C49 C58 122.6(6) . . ?
N7 C49 C58 115.4(6) . . ?
N8 C50 H50 118.3 . . ?
N8 C50 C51 123.4(6) . . ?
C51 C50 H50 118.3 . . ?
C52 C51 C50 121.7(6) . . ?
C52 C51 C57 121.1(6) . . ?
C57 C51 C50 117.3(6) . . ?
O14 C52 Na2 42.0(3) . . ?
O14 C52 C51 123.2(5) . . ?
O14 C52 C53 120.6(5) . . ?
C51 C52 Na2 161.1(4) . . ?
C51 C52 C53 116.1(5) . . ?
C53 C52 Na2 79.5(4) . . ?
O15 C53 C52 114.3(5) . . ?
C55 C53 O15 123.8(6) . . ?
C55 C53 C52 121.8(6) . . ?
O15 C54 H54A 109.5 . . ?
O15 C54 H54B 109.5 . . ?
O15 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55 119.5 . . ?
C53 C55 C56 121.0(6) . . ?
C56 C55 H55 119.5 . . ?
C55 C56 H56 120.4 . . ?
C57 C56 C55 119.2(6) . . ?
C57 C56 H56 120.4 . . ?
C51 C57 H57 119.6 . . ?
C56 C57 C51 120.8(7) . . ?
C56 C57 H57 119.6 . . ?
O16 C58 C49 110.4(6) . . ?
O16 C58 H58 107.7 . . ?
O16 C58 C59 112.2(6) . . ?
C49 C58 H58 107.7 . . ?
C59 C58 C49 111.0(6) . . ?
C59 C58 H58 107.7 . . ?
C60 C59 C58 120.7(7) . . ?
C60 C59 C64 119.9(8) . . ?
C64 C59 C58 119.4(8) . . ?
C59 C60 H60 119.8 . . ?
C59 C60 C61 120.3(9) . . ?
C61 C60 H60 119.8 . . ?
C60 C61 H61 120.1 . . ?
C62 C61 C60 119.7(11) . . ?
C62 C61 H61 120.1 . . ?
C61 C62 H62 119.7 . . ?
C61 C62 C63 120.6(10) . . ?
C63 C62 H62 119.7 . . ?
C62 C63 H63 120.3 . . ?
C64 C63 C62 119.4(10) . . ?
C64 C63 H63 120.3 . . ?
C59 C64 H64 120.0 . . ?
C63 C64 C59 119.9(10) . . ?
C63 C64 H64 120.0 . . ?
O17 C65 N9 120.1(7) . . ?
O17 C65 C74 121.2(6) . . ?
N9 C65 C74 118.6(6) . . ?
N10 C66 H66 118.9 . . ?
N10 C66 C67 122.3(6) . . ?
C67 C66 H66 118.9 . . ?
C68 C67 C66 123.1(5) . . ?
C73 C67 C66 116.0(7) . . ?
C73 C67 C68 120.8(7) . . ?
O18 C68 Na3 42.2(3) . . ?
O18 C68 C67 122.3(6) . . ?
O18 C68 C69 120.5(6) . . ?
C67 C68 Na3 161.3(5) . . ?
C69 C68 Na3 79.1(4) . . ?
C69 C68 C67 117.2(5) . . ?
O19 C69 C68 115.4(5) . . ?
O19 C69 C71 124.0(7) . . ?
C71 C69 C68 120.6(7) . . ?
O19 C70 H70A 109.5 . . ?
O19 C70 H70B 109.5 . . ?
O19 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71 119.2 . . ?
C69 C71 C72 121.6(8) . . ?
C72 C71 H71 119.2 . . ?
C71 C72 H72 120.3 . . ?
C73 C72 C71 119.5(6) . . ?
C73 C72 H72 120.3 . . ?
C67 C73 H73 119.9 . . ?
C72 C73 C67 120.2(8) . . ?
C72 C73 H73 119.9 . . ?
O20 C74 C65 109.6(6) . . ?
O20 C74 H74 108.7 . . ?
O20 C74 C75 114.0(6) . . ?
C65 C74 H74 108.7 . . ?
C65 C74 C75 107.1(6) . . ?
C75 C74 H74 108.7 . . ?
C76 C75 C74 122.4(8) . . ?
C76 C75 C80 118.3(8) . . ?
C80 C75 C74 118.5(7) . . ?
C75 C76 H76 118.8 . . ?
C77 C76 C75 122.4(9) . . ?
C77 C76 H76 118.8 . . ?
C76 C77 H77 119.5 . . ?
C76 C77 C78 121.0(10) . . ?
C78 C77 H77 119.5 . . ?
C77 C78 H78 120.4 . . ?
C77 C78 C79 119.1(10) . . ?
C79 C78 H78 120.4 . . ?
C78 C79 H79 120.2 . . ?
C80 C79 C78 119.7(10) . . ?
C80 C79 H79 120.2 . . ?
C75 C80 C79 119.2(9) . . ?
C75 C80 H80 120.4 . . ?
C79 C80 H80 120.4 . . ?
O21 C81 N11 123.3(6) . . ?
O21 C81 C90 119.3(7) . . ?
N11 C81 C90 117.3(6) . . ?
N12 C82 H82 118.7 . . ?
N12 C82 C83 122.6(6) . . ?
C83 C82 H82 118.7 . . ?
C84 C83 C82 121.5(6) . . ?
C89 C83 C82 116.8(6) . . ?
C89 C83 C84 121.7(6) . . ?
O22 C84 Na3 42.0(3) . . ?
O22 C84 C83 123.7(6) . . ?
O22 C84 C85 119.9(6) . . ?
C83 C84 Na3 161.1(5) . . ?
C83 C84 C85 116.4(6) . . ?
C85 C84 Na3 79.3(4) . . ?
O23 C85 C84 115.4(6) . . ?
O23 C85 C87 123.0(6) . . ?
C87 C85 C84 121.6(6) . . ?
O23 C86 H86A 109.5 . . ?
O23 C86 H86B 109.5 . . ?
O23 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C85 C87 H87 119.9 . . ?
C85 C87 C88 120.1(7) . . ?
C88 C87 H87 119.9 . . ?
C87 C88 H88 120.2 . . ?
C89 C88 C87 119.6(7) . . ?
C89 C88 H88 120.2 . . ?
C83 C89 H89 119.8 . . ?
C88 C89 C83 120.4(7) . . ?
C88 C89 H89 119.8 . . ?
O24 C90 C81 109.5(6) . . ?
O24 C90 H90 108.7 . . ?
O24 C90 C91 110.0(6) . . ?
C81 C90 H90 108.7 . . ?
C91 C90 C81 111.2(6) . . ?
C91 C90 H90 108.7 . . ?
C92 C91 C90 121.7(8) . . ?
C92 C91 C96 118.0(9) . . ?
C96 C91 C90 120.3(9) . . ?
C91 C92 H92 118.1 . . ?
C91 C92 C93 123.8(12) . . ?
C93 C92 H92 118.1 . . ?
C92 C93 H93 121.5 . . ?
C92 C93 C94 116.9(14) . . ?
C94 C93 H93 121.5 . . ?
C93 C94 H94 119.3 . . ?
C95 C94 C93 121.4(12) . . ?
C95 C94 H94 119.3 . . ?
C94 C95 H95 120.4 . . ?
C94 C95 C96 119.2(13) . . ?
C96 C95 H95 120.4 . . ?
C91 C96 H96 119.7 . . ?
C95 C96 C91 120.6(12) . . ?
C95 C96 H96 119.7 . . ?
O26 N13 O25 119.7(7) . . ?
O27 N13 O25 119.2(7) . . ?
O27 N13 O26 121.0(7) . . ?
O28 N14 O30 120.9(14) . . ?
O29 N14 O28 120.2(11) . . ?
O29 N14 O30 118.9(15) . . ?
H31B O31 H31C 93.5 . . ?
O31 N15 O32 101(2) . . ?
O31 N15 O33 144(3) . . ?
O33 N15 O32 115(3) . . ?
H35A O35 H35B 103.7 . . ?
H36A O36 H36B 115.2 . . ?
H38D O38 H38E 90.6 . . ?
N16 C97 C98 173(2) . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
N17 C99 C100 175(2) . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 N18 177.1(18) . . ?
C101 C102 H10D 109.3 . . ?
C101 C102 H10E 109.6 . . ?
C101 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C27 C28A H28A 117.4 . . ?
C27 C28A C29A 125(4) . . ?
C29A C28A H28A 117.5 . . ?
C28A C29A H29A 120.9 . . ?
C30A C29A C28A 118(4) . . ?
C30A C29A H29A 120.9 . . ?
C29A C30A H30A 119.3 . . ?
C31A C30A C29A 121(4) . . ?
C31A C30A H30A 119.3 . . ?
C30A C31A H31A 124.1 . . ?
C30A C31A C32A 112(4) . . ?
C32A C31A H31A 124.1 . . ?
C27 C32A C31A 107(3) . . ?
C27 C32A H32A 126.4 . . ?
C31A C32A H32A 126.3 . . ?
Cl1 C103 H10G 105.9 . . ?
Cl1 C103 H10H 105.9 . . ?
Cl2 C103 Cl1 125.7(16) . . ?
Cl2 C103 H10G 105.9 . . ?
Cl2 C103 H10H 105.9 . . ?
H10G C103 H10H 106.2 . . ?

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 O1 C1 N1 -16.8(9) . . . . ?
Dy1 O1 C1 C10 160.9(5) . . . . ?
Dy1 O2 C4 Na4 144.3(7) . . . . ?
Dy1 O2 C4 C3 -53.1(9) . . . . ?
Dy1 O2 C4 C5 128.6(6) . . . . ?
Dy1 O5 C17 N3 -20.1(11) . . . . ?
Dy1 O5 C17 C26 159.7(6) . . . . ?
Dy1 O6 C20 C19 -54.8(9) . . . . ?
Dy1 O6 C20 C21 124.3(6) . . . . ?
Dy1 O9 C33 N5 -16.5(9) . . . . ?
Dy1 O9 C33 C42 160.8(5) . . . . ?
Dy1 O10 C36 C35 -55.5(9) . . . . ?
Dy1 O10 C36 C37 124.7(6) . . . . ?
Dy1 N2 C2 C3 6.1(11) . . . . ?
Dy1 N4 C18 C19 5.3(11) . . . . ?
Dy1 N6 C34 C35 1.9(11) . . . . ?
Na1 O2 C4 Na4 -97.7(4) . . . . ?
Na1 O2 C4 C3 64.9(7) . . . . ?
Na1 O2 C4 C5 -113.4(6) . . . . ?
Na1 O6 C20 C19 64.8(8) 4_566 . . . ?
Na1 O6 C20 C19 164.1(6) . . . . ?
Na1 O6 C20 C21 -116.1(6) 4_566 . . . ?
Na1 O6 C20 C21 -16.9(8) . . . . ?
Na1 O7 C21 C20 13.9(8) . . . . ?
Na1 O7 C21 C23 -164.8(7) . . . . ?
Na1 O10 C36 C35 164.9(6) 4_566 . . . ?
Na1 O10 C36 C37 -15.0(8) 4_566 . . . ?
Na1 O11 C37 C36 14.2(8) 4_566 . . . ?
Na1 O11 C37 C39 -167.1(6) 4_566 . . . ?
Na4 O2 C4 C3 162.6(5) . . . . ?
Na4 O2 C4 C5 -15.7(8) . . . . ?
Na4 O3 C5 C4 16.8(8) . . . . ?
Na4 O3 C5 C7 -163.2(6) . . . . ?
Na4 O10 C36 C35 65.6(8) . . . . ?
Na4 O10 C36 C37 -114.3(6) . . . . ?
Na4 C4 C5 O3 -11.6(5) . . . . ?
Na4 C4 C5 C7 168.4(7) . . . . ?
O1 C1 C10 O4 162.2(7) . . . . ?
O1 C1 C10 C11 38.2(10) . . . . ?
O2 C4 C5 O3 -1.1(10) . . . . ?
O2 C4 C5 C7 179.0(7) . . . . ?
O3 C5 C7 C8 178.6(7) . . . . ?
O4 C10 C11 C12 163.9(7) . . . . ?
O4 C10 C11 C16 -18.2(11) . . . . ?
O5 C17 C26 O8 -171.1(9) . . . . ?
O5 C17 C26 C27 69.5(11) . . . . ?
O6 C20 C21 O7 1.7(10) . . . . ?
O6 C20 C21 C23 -179.5(7) . . . . ?
O7 C21 C23 C24 177.9(8) . . . . ?
O8 C26 C27 C28 -75(2) . . . . ?
O8 C26 C27 C32 85.1(15) . . . . ?
O8 C26 C27 C28A -97(2) . . . . ?
O8 C26 C27 C32A 134(2) . . . . ?
O9 C33 C42 O12 157.1(7) . . . . ?
O9 C33 C42 C43 28.8(11) . . . . ?
O10 C36 C37 O11 0.4(10) . . . . ?
O10 C36 C37 C39 -178.4(7) . . . . ?
O11 C37 C39 C40 177.3(8) . . . . ?
O12 C42 C43 C44 155.9(8) . . . . ?
O12 C42 C43 C48 -27.5(11) . . . . ?
N1 N2 C2 C3 176.3(6) . . . . ?
N1 C1 C10 O4 -20.0(10) . . . . ?
N1 C1 C10 C11 -144.0(7) . . . . ?
N2 N1 C1 O1 1.7(10) . . . . ?
N2 N1 C1 C10 -176.1(6) . . . . ?
N2 C2 C3 C4 15.2(11) . . . . ?
N2 C2 C3 C9 -161.7(7) . . . . ?
N3 N4 C18 C19 175.9(7) . . . . ?
N3 C17 C26 O8 8.7(12) . . . . ?
N3 C17 C26 C27 -110.7(10) . . . . ?
N4 N3 C17 O5 0.7(11) . . . . ?
N4 N3 C17 C26 -179.1(7) . . . . ?
N4 C18 C19 C20 18.7(12) . . . . ?
N4 C18 C19 C25 -159.8(8) . . . . ?
N5 N6 C34 C35 175.3(6) . . . . ?
N5 C33 C42 O12 -25.5(10) . . . . ?
N5 C33 C42 C43 -153.7(7) . . . . ?
N6 N5 C33 O9 -0.4(10) . . . . ?
N6 N5 C33 C42 -177.9(6) . . . . ?
N6 C34 C35 C36 19.7(12) . . . . ?
N6 C34 C35 C41 -157.0(7) . . . . ?
C1 N1 N2 Dy1 11.8(7) . . . . ?
C1 N1 N2 C2 -160.2(6) . . . . ?
C1 C10 C11 C12 -73.5(9) . . . . ?
C1 C10 C11 C16 104.5(9) . . . . ?
C2 C3 C4 Na4 42.9(18) . . . . ?
C2 C3 C4 O2 5.3(11) . . . . ?
C2 C3 C4 C5 -176.3(7) . . . . ?
C2 C3 C9 C8 176.3(7) . . . . ?
C3 C4 C5 O3 -179.5(6) . . . . ?
C3 C4 C5 C7 0.6(11) . . . . ?
C4 C3 C9 C8 -0.6(12) . . . . ?
C4 C5 C7 C8 -1.5(12) . . . . ?
C5 C7 C8 C9 1.4(13) . . . . ?
C6 O3 C5 C4 178.7(7) . . . . ?
C6 O3 C5 C7 -1.4(11) . . . . ?
C7 C8 C9 C3 -0.3(13) . . . . ?
C9 C3 C4 Na4 -140.3(12) . . . . ?
C9 C3 C4 O2 -177.9(7) . . . . ?
C9 C3 C4 C5 0.5(10) . . . . ?
C10 C11 C12 C13 177.0(8) . . . . ?
C10 C11 C16 C15 -178.2(8) . . . . ?
C11 C12 C13 C14 2.4(14) . . . . ?
C12 C11 C16 C15 -0.2(13) . . . . ?
C12 C13 C14 C15 -2.6(15) . . . . ?
C13 C14 C15 C16 1.5(15) . . . . ?
C14 C15 C16 C11 0.0(14) . . . . ?
C16 C11 C12 C13 -1.0(13) . . . . ?
C17 N3 N4 Dy1 16.4(8) . . . . ?
C17 N3 N4 C18 -155.9(7) . . . . ?
C17 C26 C27 C28 46(2) . . . . ?
C17 C26 C27 C32 -153.8(13) . . . . ?
C17 C26 C27 C28A 24(2) . . . . ?
C17 C26 C27 C32A -105(2) . . . . ?
C18 C19 C20 O6 3.3(12) . . . . ?
C18 C19 C20 C21 -175.8(7) . . . . ?
C18 C19 C25 C24 174.5(8) . . . . ?
C19 C20 C21 O7 -179.2(6) . . . . ?
C19 C20 C21 C23 -0.4(11) . . . . ?
C20 C19 C25 C24 -4.1(13) . . . . ?
C20 C21 C23 C24 -0.7(13) . . . . ?
C21 C23 C24 C25 -0.6(15) . . . . ?
C22 O7 C21 C20 177.1(7) . . . . ?
C22 O7 C21 C23 -1.6(11) . . . . ?
C23 C24 C25 C19 2.9(14) . . . . ?
C25 C19 C20 O6 -178.2(7) . . . . ?
C25 C19 C20 C21 2.7(11) . . . . ?
C26 C27 C28 C29 176(2) . . . . ?
C26 C27 C32 C31 -167(2) . . . . ?
C26 C27 C28A C29A -174(3) . . . . ?
C26 C27 C32A C31A -164(2) . . . . ?
C27 C28 C29 C30 -10(5) . . . . ?
C27 C28A C29A C30A 12(5) . . . . ?
C28 C27 C32 C31 -8(3) . . . . ?
C28 C29 C30 C31 -3(6) . . . . ?
C29 C30 C31 C32 11(5) . . . . ?
C30 C31 C32 C27 -6(4) . . . . ?
C32 C27 C28 C29 16(4) . . . . ?
C33 N5 N6 Dy1 14.3(7) . . . . ?
C33 N5 N6 C34 -160.3(7) . . . . ?
C33 C42 C43 C44 -78.2(10) . . . . ?
C33 C42 C43 C48 98.5(9) . . . . ?
C34 C35 C36 O10 4.2(12) . . . . ?
C34 C35 C36 C37 -175.9(7) . . . . ?
C34 C35 C41 C40 176.0(8) . . . . ?
C35 C36 C37 O11 -179.5(6) . . . . ?
C35 C36 C37 C39 1.7(11) . . . . ?
C36 C35 C41 C40 -0.8(13) . . . . ?
C36 C37 C39 C40 -4.0(12) . . . . ?
C37 C39 C40 C41 3.9(13) . . . . ?
C38 O11 C37 C36 177.8(6) . . . . ?
C38 O11 C37 C39 -3.5(11) . . . . ?
C39 C40 C41 C35 -1.4(13) . . . . ?
C41 C35 C36 O10 -179.2(7) . . . . ?
C41 C35 C36 C37 0.7(11) . . . . ?
C42 C43 C44 C45 178.6(9) . . . . ?
C42 C43 C48 C47 -178.6(9) . . . . ?
C43 C44 C45 C46 -0.3(16) . . . . ?
C44 C43 C48 C47 -2.0(15) . . . . ?
C44 C45 C46 C47 -1.3(17) . . . . ?
C45 C46 C47 C48 1.2(18) . . . . ?
C46 C47 C48 C43 0.5(16) . . . . ?
C48 C43 C44 C45 1.9(15) . . . . ?
Dy2 O13 C49 N7 -21.6(9) . . . . ?
Dy2 O13 C49 C58 156.3(5) . . . . ?
Dy2 O14 C52 Na2 144.1(6) . . . . ?
Dy2 O14 C52 C51 -51.7(8) . . . . ?
Dy2 O14 C52 C53 131.1(5) . . . . ?
Dy2 O17 C65 N9 -21.7(8) . . . . ?
Dy2 O17 C65 C74 156.2(5) . . . . ?
Dy2 O18 C68 Na3 142.6(6) . . . . ?
Dy2 O18 C68 C67 -51.1(9) . . . . ?
Dy2 O18 C68 C69 130.0(6) . . . . ?
Dy2 O21 C81 N11 -18.3(9) 3_656 . . . ?
Dy2 O21 C81 C90 163.9(5) 3_656 . . . ?
Dy2 O22 C84 Na3 143.5(6) 3_656 . . . ?
Dy2 O22 C84 C83 -52.9(8) 3_656 . . . ?
Dy2 O22 C84 C85 127.1(5) 3_656 . . . ?
Dy2 N8 C50 C51 9.1(11) . . . . ?
Dy2 N10 C66 C67 8.0(10) . . . . ?
Dy2 N12 C82 C83 9.6(10) 3_656 . . . ?
Na2 O14 C52 C51 164.2(5) . . . . ?
Na2 O14 C52 C53 -12.9(7) . . . . ?
Na2 O15 C53 C52 16.7(6) . . . . ?
Na2 O15 C53 C55 -164.7(5) . . . . ?
Na2 O22 C84 Na3 -98.5(3) . . . . ?
Na2 O22 C84 C83 65.1(6) . . . . ?
Na2 O22 C84 C85 -114.9(5) . . . . ?
Na2 C52 C53 O15 -11.5(4) . . . . ?
Na2 C52 C53 C55 170.0(6) . . . . ?
Na3 O14 C52 Na2 -97.6(3) . . . . ?
Na3 O14 C52 C51 66.6(7) . . . . ?
Na3 O14 C52 C53 -110.5(5) . . . . ?
Na3 O18 C68 Na3 -97.7(4) 3_656 . . . ?
Na3 O18 C68 C67 68.6(7) 3_656 . . . ?
Na3 O18 C68 C67 166.3(5) . . . . ?
Na3 O18 C68 C69 -12.6(8) . . . . ?
Na3 O18 C68 C69 -110.3(6) 3_656 . . . ?
Na3 O19 C69 C68 12.7(7) . . . . ?
Na3 O19 C69 C71 -167.8(6) . . . . ?
Na3 O22 C84 C83 163.6(5) . . . . ?
Na3 O22 C84 C85 -16.4(7) . . . . ?
Na3 O23 C85 C84 14.9(7) . . . . ?
Na3 O23 C85 C87 -164.8(5) . . . . ?
Na3 C68 C69 O19 -8.7(5) . . . . ?
Na3 C68 C69 C71 171.8(7) . . . . ?
Na3 C84 C85 O23 -10.3(5) . . . . ?
Na3 C84 C85 C87 169.4(6) . . . . ?
O13 C49 C58 O16 169.7(6) . . . . ?
O13 C49 C58 C59 44.6(9) . . . . ?
O14 C52 C53 O15 -2.7(8) . . . . ?
O14 C52 C53 C55 178.7(6) . . . . ?
O15 C53 C55 C56 -179.4(6) . . . . ?
O16 C58 C59 C60 -40.3(8) . . . . ?
O16 C58 C59 C64 140.3(7) . . . . ?
O17 C65 C74 O20 165.6(6) . . . . ?
O17 C65 C74 C75 41.4(9) . . . . ?
O18 C68 C69 O19 -0.1(9) . . . . ?
O18 C68 C69 C71 -179.6(7) . . . . ?
O19 C69 C71 C72 177.5(7) . . . . ?
O20 C74 C75 C76 -44.0(11) . . . . ?
O20 C74 C75 C80 146.9(8) . . . . ?
O21 C81 C90 O24 -168.8(6) . . . . ?
O21 C81 C90 C91 69.4(9) . . . . ?
O22 C84 C85 O23 0.7(8) . . . . ?
O22 C84 C85 C87 -179.6(6) . . . . ?
O23 C85 C87 C88 176.7(6) . . . . ?
O24 C90 C91 C92 -64.1(10) . . . . ?
O24 C90 C91 C96 113.3(8) . . . . ?
N7 N8 C50 C51 179.9(6) . . . . ?
N7 C49 C58 O16 -12.3(8) . . . . ?
N7 C49 C58 C59 -137.4(7) . . . . ?
N8 N7 C49 O13 2.0(10) . . . . ?
N8 N7 C49 C58 -176.1(5) . . . . ?
N8 C50 C51 C52 15.0(11) . . . . ?
N8 C50 C51 C57 -163.9(7) . . . . ?
N9 N10 C66 C67 178.0(6) . . . . ?
N9 C65 C74 O20 -16.5(9) . . . . ?
N9 C65 C74 C75 -140.6(6) . . . . ?
N10 N9 C65 O17 3.1(9) . . . . ?
N10 N9 C65 C74 -174.8(6) . . . . ?
N10 C66 C67 C68 18.2(11) . . . . ?
N10 C66 C67 C73 -164.5(7) . . . . ?
N11 N12 C82 C83 177.7(6) . . . . ?
N11 C81 C90 O24 13.3(9) . . . . ?
N11 C81 C90 C91 -108.5(8) . . . . ?
N12 N11 C81 O21 0.2(10) . . . . ?
N12 N11 C81 C90 178.0(6) . . . . ?
N12 C82 C83 C84 15.3(10) . . . . ?
N12 C82 C83 C89 -163.9(6) . . . . ?
C49 N7 N8 Dy2 15.9(7) . . . . ?
C49 N7 N8 C50 -156.7(7) . . . . ?
C49 C58 C59 C60 83.7(8) . . . . ?
C49 C58 C59 C64 -95.6(8) . . . . ?
C50 C51 C52 Na2 36.8(19) . . . . ?
C50 C51 C52 O14 2.7(10) . . . . ?
C50 C51 C52 C53 -180.0(6) . . . . ?
C50 C51 C57 C56 179.4(7) . . . . ?
C51 C52 C53 O15 180.0(6) . . . . ?
C51 C52 C53 C55 1.4(9) . . . . ?
C52 C51 C57 C56 0.4(12) . . . . ?
C52 C53 C55 C56 -0.9(10) . . . . ?
C53 C55 C56 C57 0.2(11) . . . . ?
C54 O15 C53 C52 -177.5(5) . . . . ?
C54 O15 C53 C55 1.1(9) . . . . ?
C55 C56 C57 C51 0.0(12) . . . . ?
C57 C51 C52 Na2 -144.3(12) . . . . ?
C57 C51 C52 O14 -178.4(6) . . . . ?
C57 C51 C52 C53 -1.1(10) . . . . ?
C58 C59 C60 C61 179.0(6) . . . . ?
C58 C59 C64 C63 -179.2(8) . . . . ?
C59 C60 C61 C62 0.6(12) . . . . ?
C60 C59 C64 C63 1.4(12) . . . . ?
C60 C61 C62 C63 0.5(15) . . . . ?
C61 C62 C63 C64 -0.7(16) . . . . ?
C62 C63 C64 C59 -0.3(15) . . . . ?
C64 C59 C60 C61 -1.6(11) . . . . ?
C65 N9 N10 Dy2 13.7(7) . . . . ?
C65 N9 N10 C66 -158.1(6) . . . . ?
C65 C74 C75 C76 77.3(9) . . . . ?
C65 C74 C75 C80 -91.8(10) . . . . ?
C66 C67 C68 Na3 29.5(19) . . . . ?
C66 C67 C68 O18 -0.3(11) . . . . ?
C66 C67 C68 C69 178.6(7) . . . . ?
C66 C67 C73 C72 179.7(7) . . . . ?
C67 C68 C69 O19 -179.1(6) . . . . ?
C67 C68 C69 C71 1.5(10) . . . . ?
C68 C67 C73 C72 -2.9(12) . . . . ?
C68 C69 C71 C72 -3.0(12) . . . . ?
C69 C71 C72 C73 1.6(13) . . . . ?
C70 O19 C69 C68 178.6(6) . . . . ?
C70 O19 C69 C71 -2.0(10) . . . . ?
C71 C72 C73 C67 1.4(12) . . . . ?
C73 C67 C68 Na3 -147.7(12) . . . . ?
C73 C67 C68 O18 -177.5(7) . . . . ?
C73 C67 C68 C69 1.5(10) . . . . ?
C74 C75 C76 C77 -176.2(8) . . . . ?
C74 C75 C80 C79 175.3(10) . . . . ?
C75 C76 C77 C78 4.7(15) . . . . ?
C76 C75 C80 C79 5.7(15) . . . . ?
C76 C77 C78 C79 -0.9(18) . . . . ?
C77 C78 C79 C80 -0.2(19) . . . . ?
C78 C79 C80 C75 -2.3(18) . . . . ?
C80 C75 C76 C77 -7.1(14) . . . . ?
C81 N11 N12 Dy2 15.9(7) . . . 3_656 ?
C81 N11 N12 C82 -154.4(6) . . . . ?
C81 C90 C91 C92 57.4(10) . . . . ?
C81 C90 C91 C96 -125.2(8) . . . . ?
C82 C83 C84 Na3 38.5(17) . . . . ?
C82 C83 C84 O22 2.8(9) . . . . ?
C82 C83 C84 C85 -177.2(6) . . . . ?
C82 C83 C89 C88 177.4(7) . . . . ?
C83 C84 C85 O23 -179.2(5) . . . . ?
C83 C84 C85 C87 0.5(9) . . . . ?
C84 C83 C89 C88 -1.8(11) . . . . ?
C84 C85 C87 C88 -3.0(11) . . . . ?
C85 C87 C88 C89 3.1(11) . . . . ?
C86 O23 C85 C84 177.3(6) . . . . ?
C86 O23 C85 C87 -2.4(9) . . . . ?
C87 C88 C89 C83 -0.8(11) . . . . ?
C89 C83 C84 Na3 -142.3(11) . . . . ?
C89 C83 C84 O22 -178.0(6) . . . . ?
C89 C83 C84 C85 1.9(9) . . . . ?
C90 C91 C92 C93 174.4(10) . . . . ?
C90 C91 C96 C95 -176.3(7) . . . . ?
C91 C92 C93 C94 2.7(19) . . . . ?
C92 C91 C96 C95 1.1(12) . . . . ?
C92 C93 C94 C95 -1(2) . . . . ?
C93 C94 C95 C96 -1.2(19) . . . . ?
C94 C95 C96 C91 0.8(15) . . . . ?
C96 C91 C92 C93 -3.0(15) . . . . ?
C28A C27 C32A C31A 57(4) . . . . ?
C28A C29A C30A C31A -6(6) . . . . ?
C29A C30A C31A C32A 25(6) . . . . ?
C30A C31A C32A C27 -56(5) . . . . ?
C32A C27 C28A C29A -43(4) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.021 0.500 0.000 109 26 ' '
2 0.000 0.611 0.250 699 178 ' '
3 -0.021 0.500 0.500 108 25 ' '
4 0.000 0.389 0.750 699 178 ' '
5 0.500 0.111 0.250 699 178 ' '
6 0.500 0.889 0.750 700 178 ' '
7 0.203 0.130 0.147 9 0 ' '
8 0.203 0.870 0.853 9 0 ' '
9 0.239 0.092 0.414 11 2 ' '
10 0.239 0.908 0.586 11 2 ' '
11 0.261 0.592 0.086 11 2 ' '
12 0.261 0.408 0.914 11 2 ' '
13 0.297 0.630 0.353 9 0 ' '
14 0.297 0.370 0.647 9 0 ' '
15 0.479 1.000 0.500 108 25 ' '
16 0.521 1.000 0.000 109 26 ' '
17 0.703 0.630 0.147 9 0 ' '
18 0.703 0.370 0.853 9 0 ' '
19 0.739 0.592 0.414 11 2 ' '
20 0.739 0.408 0.586 11 2 ' '
21 0.761 0.092 0.086 11 2 ' '
22 0.761 0.908 0.914 11 2 ' '
23 0.797 0.130 0.353 9 0 ' '
24 0.797 0.870 0.647 9 0 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.899
_oxdiff_exptl_absorpt_empirical_full_min 0.569
####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1920446'
loop_
_audit_author_name
_audit_author_address
'Ge Li'
;Lanzhou University
China
;
_audit_update_record             
;
2019-08-20 deposited with the CCDC.	2019-09-06 downloaded from the CCDC.
;
_audit_creation_date             2019-08-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C120 H104 Dy4 N16 O25, C H4 O, 3(N O3), 4(H2 O)'
_chemical_formula_sum            'C121 H116 Dy4 N19 O39'
_chemical_formula_weight         3110.32
_chemical_absolute_configuration ad
_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'
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'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   16.4632(2)
_cell_length_b                   21.6760(4)
_cell_length_c                   34.7600(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12404.3(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23362
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.2920
_cell_measurement_theta_min      1.9700
_shelx_estimated_absorpt_T_max   0.790
_shelx_estimated_absorpt_T_min   0.739
_exptl_absorpt_coefficient_mu    2.473
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6204
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            79531
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.946
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5368
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  84.10   0.30    2.50    --   11.74  57.00  60.00  327
  2  ω     35.00  60.80   0.30    2.50    --   11.74 178.00-120.00   86
  3  ω    -15.00  79.20   0.30    2.50    --   11.74  77.00-180.00  314
  4  ω    -55.00   5.30   0.30    2.50    --   11.74 -57.00 -90.00  201
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0282510000
_diffrn_orient_matrix_UB_12      -0.0064139000
_diffrn_orient_matrix_UB_13      0.0148813000
_diffrn_orient_matrix_UB_21      -0.0304200000
_diffrn_orient_matrix_UB_22      0.0059687000
_diffrn_orient_matrix_UB_23      0.0139576000
_diffrn_orient_matrix_UB_31      -0.0115014000
_diffrn_orient_matrix_UB_32      -0.0315318000
_diffrn_orient_matrix_UB_33      -0.0003820000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.848
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                18330
_reflns_number_total             21873
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.484
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.155
_refine_ls_abs_structure_details 
;
 Flack x determined using 6980 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1662
_refine_ls_number_reflns         21873
_refine_ls_number_restraints     1164
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0521
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0611P)²+62.7325P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1355
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C11-C12
 1.4 with sigma of 0.02
 C12-C13
 1.4 with sigma of 0.02
 C13-C14
 1.4 with sigma of 0.02
 C14-C13
 1.4 with sigma of 0.02
 C13-C12
 1.4 with sigma of 0.02
 C12-C11
 1.4 with sigma of 0.02
 O35-N19 \\sim N19-O36
 with sigma of 0.02
 O37-N19 \\sim N19-O36
 with sigma of 0.02
 O32-N18 \\sim N18-O33
 with sigma of 0.02
 O34-N18 \\sim N18-O33
 with sigma of 0.02
 O37-O35 \\sim O35-O36
 with sigma of 0.02
 O35-O37 \\sim O37-O36
 with sigma of 0.02
 O34-O33 \\sim O33-O32
 with sigma of 0.02
 O34-O32 \\sim O32-O33
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.01
Uanis(N12A) \\sim Ueq, Uanis(N12) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.001
Uanis(N6) \\sim Ueq, Uanis(N10) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O39) \\sim Ueq, Uanis(O36) \\sim Ueq, Uanis(N19) \\sim Ueq, Uanis(O37)
\\sim Ueq, Uanis(O35) \\sim Ueq, Uanis(O38) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: N12(0.5) H12(0.5) N12A(0.5) H12A(0.5)
5.a Riding coordinates:
 O4(H4), O10(H10), O13(H13), O19(H19), O22(H22), O30(H30A,H30B), O31(H31A,
 H31B), O38(H38A,H38B), O39(H39A,H39B)
5.b Ternary CH refined with riding coordinates:
 C9(H9), C24(H24), C39(H39), C54(H54), C69(H69), C84(H84), C99(H99), C114(H114)
5.c Aromatic/amide H refined with riding coordinates:
 N2(H2), N3(H3), N6(H6), N8(H8), N10(H10A), N12(H12), N12A(H12A), N14(H14),
 N16(H16A), C2(H2A), C3(H3A), C4(H4A), C5(H5), C7(H7A), C11(H11), C12(H12B),
 C13(H13A), C14(H14A), C15(H15), C17(H17), C18(H18), C19(H19A), C20(H20),
 C22(H22A), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32),
 C33(H33), C34(H34), C35(H35), C37(H37), C41(H41), C42(H42), C43(H43), C44(H44),
  C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C52(H52), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65),
  C67(H67), C71(H71), C72(H72), C73(H73), C74(H74), C75(H75), C77(H77),
 C78(H78), C79(H79), C80(H80), C82(H82), C86(H86), C87(H87), C88(H88), C89(H89),
  C90(H90), C92(H92), C93(H93), C94(H94), C95(H95), C97(H97), C101(H101),
 C102(H102), C103(H103), C104(H104), C105(H105), C107(H107), C108(H108),
 C109(H109), C110(H110), C112(H112), C116(H116), C117(H117), C118(H118),
 C119(H119), C120(H120)
5.d Idealised Me refined as rotating group:
 C121(H12C,H12D,H12E)
5.e Idealised tetrahedral OH refined as rotating group:
 O7(H7), O16(H16), O25(H25), O26(H26A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.41110(3) 0.51052(3) 0.68599(2) 0.01740(15) Uani 1 1 d . U . . .
Dy2 Dy 0.19715(3) 0.48164(3) 0.68732(2) 0.01879(15) Uani 1 1 d . U . . .
Dy3 Dy 0.19161(3) 0.48252(3) 0.58536(2) 0.01890(16) Uani 1 1 d . U . . .
Dy4 Dy 0.40450(3) 0.50837(3) 0.58374(2) 0.01790(15) Uani 1 1 d . U . . .
O1 O 0.3000(4) 0.4963(4) 0.6360(3) 0.030(2) Uani 1 1 d . U . . .
O2 O 0.4214(5) 0.5806(4) 0.6364(3) 0.0247(18) Uani 1 1 d . U . . .
O3 O 0.5214(5) 0.4506(4) 0.7114(2) 0.0215(19) Uani 1 1 d . U . . .
O4 O 0.7351(7) 0.4493(8) 0.7202(5) 0.090(4) Uani 1 1 d . U . . .
H4 H 0.765511 0.427516 0.706120 0.136 Uiso 1 1 d R . . . .
O5 O 0.4545(5) 0.4486(4) 0.6334(3) 0.0191(17) Uani 1 1 d . U . . .
O6 O 0.4739(5) 0.5942(5) 0.5560(3) 0.028(2) Uani 1 1 d . U . . .
O7 O 0.6743(7) 0.6510(6) 0.5355(4) 0.049(3) Uani 1 1 d . U . . .
H7 H 0.690083 0.673472 0.553001 0.074 Uiso 1 1 calc GR . . . .
O8 O 0.2852(5) 0.5614(5) 0.5694(3) 0.027(2) Uani 1 1 d . U . . .
O9 O 0.4722(5) 0.4373(5) 0.5401(3) 0.029(2) Uani 1 1 d . U . . .
O10 O 0.4600(7) 0.3877(8) 0.4421(4) 0.070(4) Uani 1 1 d . U . . .
H10 H 0.437928 0.359835 0.427970 0.105 Uiso 1 1 d R . . . .
O11 O 0.3100(5) 0.4286(5) 0.5718(2) 0.022(2) Uani 1 1 d . U . . .
O12 O 0.1204(6) 0.5476(5) 0.5384(3) 0.039(3) Uani 1 1 d . U . . .
O13 O 0.1147(8) 0.5654(7) 0.4361(3) 0.071(4) Uani 1 1 d . U . . .
H13 H 0.111481 0.586320 0.415080 0.106 Uiso 1 1 d R . . . .
O14 O 0.1512(4) 0.5457(4) 0.6356(3) 0.0202(17) Uani 1 1 d . U . . .
O15 O 0.1128(5) 0.3988(4) 0.5612(3) 0.025(2) Uani 1 1 d . U . . .
O16 O -0.0932(6) 0.3541(5) 0.5426(3) 0.039(2) Uani 1 1 d . U . . .
H16 H -0.112636 0.337186 0.561645 0.058 Uiso 1 1 calc GR . . . .
O17 O 0.1792(5) 0.4117(4) 0.6381(3) 0.0231(18) Uani 1 1 d . U . . .
O18 O 0.0915(5) 0.5458(4) 0.7145(3) 0.029(2) Uani 1 1 d . U . . .
O19 O -0.1260(6) 0.5531(6) 0.7249(3) 0.052(3) Uani 1 1 d . U . . .
H19 H -0.131958 0.548135 0.701664 0.078 Uiso 1 1 d R . . . .
O20 O 0.2858(5) 0.5602(4) 0.7035(2) 0.022(2) Uani 1 1 d . U . . .
O21 O 0.1603(6) 0.3961(5) 0.7277(3) 0.029(2) Uani 1 1 d . U . . .
O22 O 0.1538(7) 0.3478(6) 0.8251(3) 0.053(3) Uani 1 1 d . U . . .
H22 H 0.157904 0.313812 0.835261 0.080 Uiso 1 1 d R . . . .
O23 O 0.3237(5) 0.4308(4) 0.7012(2) 0.021(2) Uani 1 1 d . U . . .
O24 O 0.4561(5) 0.5910(4) 0.7287(3) 0.025(2) Uani 1 1 d . U . . .
O25 O 0.4291(6) 0.6493(5) 0.8213(3) 0.033(2) Uani 1 1 d . U . . .
H25 H 0.439493 0.623570 0.837859 0.050 Uiso 1 1 calc GR . . . .
N1 N 0.5606(6) 0.5519(5) 0.6748(3) 0.022(2) Uani 1 1 d . U . . .
N2 N 0.6215(6) 0.5152(6) 0.6904(3) 0.033(2) Uani 1 1 d . U . . .
H2 H 0.672322 0.524088 0.688904 0.039 Uiso 1 1 calc R . . . .
N3 N 0.5987(7) 0.5574(5) 0.5683(3) 0.031(3) Uani 1 1 d . U . . .
H3 H 0.650649 0.561177 0.567031 0.037 Uiso 1 1 calc R . . . .
N4 N 0.5626(6) 0.5073(5) 0.5864(3) 0.020(2) Uani 1 1 d . U . . .
N5 N 0.3785(6) 0.5220(7) 0.5105(3) 0.037(3) Uani 1 1 d . U . . .
N6 N 0.4132(6) 0.4806(7) 0.4868(3) 0.038(3) Uani 1 1 d . U . . .
H6 H 0.407274 0.482080 0.462262 0.046 Uiso 1 1 calc R . . . .
N7 N 0.2111(7) 0.4555(7) 0.5124(3) 0.033(3) Uani 1 1 d . U . . .
N8 N 0.1720(7) 0.4913(7) 0.4865(3) 0.038(3) Uani 1 1 d . U . . .
H8 H 0.173302 0.484210 0.462118 0.045 Uiso 1 1 calc R . . . .
N9 N 0.0302(6) 0.4902(5) 0.5933(3) 0.021(2) Uani 1 1 d . U . . .
N10 N -0.0077(6) 0.4425(5) 0.5773(3) 0.023(2) Uani 1 1 d . U . . .
H10A H -0.059902 0.440583 0.577249 0.027 Uiso 1 1 calc R . . . .
N11 N 0.0455(6) 0.4432(6) 0.6808(3) 0.029(2) Uani 1 1 d . U . . .
N12 N -0.0073(14) 0.4874(12) 0.6904(6) 0.015(4) Uani 0.5 1 d . U P A 1
H12 H -0.055862 0.487448 0.681248 0.018 Uiso 0.5 1 calc R . P A 1
N12A N -0.0101(14) 0.4823(12) 0.7013(6) 0.012(4) Uani 0.5 1 d . U P A 2
H12A H -0.060130 0.472115 0.704340 0.015 Uiso 0.5 1 calc R . P A 2
N13 N 0.2081(6) 0.4970(6) 0.7613(3) 0.026(2) Uani 1 1 d . U . . .
N14 N 0.1847(7) 0.4455(6) 0.7829(3) 0.034(3) Uani 1 1 d . U . . .
H14 H 0.185416 0.445937 0.807636 0.040 Uiso 1 1 calc R . . . .
N15 N 0.4025(6) 0.4888(6) 0.7604(3) 0.026(2) Uani 1 1 d . U . . .
N16 N 0.4286(7) 0.5369(6) 0.7834(3) 0.034(3) Uani 1 1 d . U . . .
H16A H 0.428799 0.534359 0.808068 0.041 Uiso 1 1 calc R . . . .
C1 C 0.4549(7) 0.6362(6) 0.6320(4) 0.024(2) Uani 1 1 d . U . . .
C2 C 0.4107(9) 0.6837(6) 0.6138(4) 0.031(3) Uani 1 1 d . U . . .
H2A H 0.356971 0.676704 0.606725 0.037 Uiso 1 1 calc R . . . .
C3 C 0.4462(9) 0.7416(7) 0.6061(4) 0.035(3) Uani 1 1 d . U . . .
H3A H 0.417186 0.771667 0.592901 0.041 Uiso 1 1 calc R . . . .
C4 C 0.5254(9) 0.7533(7) 0.6184(4) 0.037(3) Uani 1 1 d . U . . .
H4A H 0.548661 0.791752 0.614190 0.044 Uiso 1 1 calc R . . . .
C5 C 0.5685(8) 0.7085(6) 0.6366(5) 0.033(3) Uani 1 1 d . U . . .
H5 H 0.621411 0.716922 0.644357 0.040 Uiso 1 1 calc R . . . .
C6 C 0.5354(8) 0.6493(6) 0.6442(4) 0.025(3) Uani 1 1 d . U . . .
C7 C 0.5863(8) 0.6044(6) 0.6617(4) 0.026(3) Uani 1 1 d . U . . .
H7A H 0.641339 0.613244 0.663952 0.032 Uiso 1 1 calc R . . . .
C8 C 0.5926(8) 0.4629(7) 0.7087(4) 0.032(3) Uani 1 1 d . U . . .
C9 C 0.6583(9) 0.4205(9) 0.7249(6) 0.052(4) Uani 1 1 d . U . . .
H9 H 0.657981 0.381764 0.710415 0.062 Uiso 1 1 calc R . . . .
C10 C 0.6411(13) 0.4068(10) 0.7658(6) 0.063(4) Uani 1 1 d . U . . .
C11 C 0.6728(19) 0.4439(13) 0.7949(7) 0.112(6) Uani 1 1 d D U . . .
H11 H 0.709632 0.475579 0.790338 0.134 Uiso 1 1 calc R . . . .
C12 C 0.644(2) 0.4287(15) 0.8322(8) 0.131(6) Uani 1 1 d D U . . .
H12B H 0.666310 0.449282 0.853085 0.157 Uiso 1 1 calc R . . . .
C13 C 0.5824(19) 0.3846(12) 0.8400(7) 0.116(6) Uani 1 1 d D U . . .
H13A H 0.556380 0.383243 0.863730 0.139 Uiso 1 1 calc R . . . .
C14 C 0.5633(16) 0.3444(11) 0.8115(6) 0.085(5) Uani 1 1 d D U . . .
H14A H 0.535090 0.307981 0.816171 0.101 Uiso 1 1 calc R . . . .
C15 C 0.5882(12) 0.3611(8) 0.7756(5) 0.054(4) Uani 1 1 d . U . . .
H15 H 0.566457 0.338547 0.755285 0.065 Uiso 1 1 calc R . . . .
C16 C 0.5086(7) 0.4032(5) 0.6340(4) 0.022(2) Uani 1 1 d . U . . .
C17 C 0.4926(9) 0.3468(6) 0.6537(4) 0.027(3) Uani 1 1 d . U . . .
H17 H 0.442842 0.341557 0.666007 0.032 Uiso 1 1 calc R . . . .
C18 C 0.5476(9) 0.3010(7) 0.6551(4) 0.031(3) Uani 1 1 d . U . . .
H18 H 0.535252 0.265166 0.668523 0.037 Uiso 1 1 calc R . . . .
C19 C 0.6236(8) 0.3060(6) 0.6366(5) 0.031(3) Uani 1 1 d . U . . .
H19A H 0.660332 0.273417 0.637026 0.037 Uiso 1 1 calc R . . . .
C20 C 0.6420(8) 0.3599(7) 0.6182(4) 0.027(3) Uani 1 1 d . U . . .
H20 H 0.692821 0.364165 0.606807 0.032 Uiso 1 1 calc R . . . .
C21 C 0.5875(8) 0.4082(6) 0.6158(4) 0.023(2) Uani 1 1 d . U . . .
C22 C 0.6119(8) 0.4640(6) 0.5957(4) 0.025(3) Uani 1 1 d . U . . .
H22A H 0.666423 0.468606 0.589297 0.030 Uiso 1 1 calc R . . . .
C23 C 0.5494(9) 0.5992(7) 0.5531(4) 0.031(3) Uani 1 1 d . U . . .
C24 C 0.5864(9) 0.6539(7) 0.5332(4) 0.038(3) Uani 1 1 d . U . . .
H24 H 0.567014 0.692068 0.545176 0.045 Uiso 1 1 calc R . . . .
C25 C 0.5623(12) 0.6527(10) 0.4920(5) 0.057(4) Uani 1 1 d . U . . .
C26 C 0.5909(17) 0.6089(12) 0.4684(6) 0.090(5) Uani 1 1 d . U . . .
H26 H 0.629426 0.580277 0.476461 0.108 Uiso 1 1 calc R . . . .
C27 C 0.5582(19) 0.6086(15) 0.4292(7) 0.112(6) Uani 1 1 d . U . . .
H27 H 0.568937 0.576492 0.412183 0.134 Uiso 1 1 calc R . . . .
C28 C 0.5103(19) 0.6586(15) 0.4187(8) 0.108(6) Uani 1 1 d . U . . .
H28 H 0.494291 0.661663 0.393125 0.130 Uiso 1 1 calc R . . . .
C29 C 0.4868(16) 0.7007(14) 0.4419(7) 0.093(5) Uani 1 1 d . U . . .
H29 H 0.453374 0.732613 0.433600 0.111 Uiso 1 1 calc R . . . .
C30 C 0.5110(12) 0.6976(11) 0.4773(6) 0.069(5) Uani 1 1 d . U . . .
H30 H 0.492611 0.727826 0.494114 0.083 Uiso 1 1 calc R . . . .
C31 C 0.2734(9) 0.6103(8) 0.5492(5) 0.036(3) Uani 1 1 d . U . . .
C32 C 0.2242(9) 0.6589(8) 0.5631(5) 0.045(4) Uani 1 1 d . U . . .
H32 H 0.202031 0.656036 0.587647 0.054 Uiso 1 1 calc R . . . .
C33 C 0.2080(10) 0.7115(9) 0.5406(6) 0.057(4) Uani 1 1 d . U . . .
H33 H 0.175226 0.742815 0.550169 0.069 Uiso 1 1 calc R . . . .
C34 C 0.2415(11) 0.7165(10) 0.5037(6) 0.065(4) Uani 1 1 d . U . . .
H34 H 0.232166 0.751733 0.489131 0.078 Uiso 1 1 calc R . . . .
C35 C 0.2873(11) 0.6702(10) 0.4892(6) 0.063(4) Uani 1 1 d . U . . .
H35 H 0.307746 0.673961 0.464411 0.076 Uiso 1 1 calc R . . . .
C36 C 0.3051(9) 0.6164(9) 0.5106(5) 0.047(3) Uani 1 1 d . U . . .
C37 C 0.3480(9) 0.5685(9) 0.4920(5) 0.045(4) Uani 1 1 d . U . . .
H37 H 0.354731 0.570316 0.465438 0.055 Uiso 1 1 calc R . . . .
C38 C 0.4596(8) 0.4349(9) 0.5048(4) 0.040(3) Uani 1 1 d . U . . .
C39 C 0.4906(9) 0.3833(10) 0.4802(5) 0.049(3) Uani 1 1 d . U . . .
H39 H 0.473576 0.343885 0.491443 0.059 Uiso 1 1 calc R . . . .
C40 C 0.5820(9) 0.3858(9) 0.4790(5) 0.046(3) Uani 1 1 d . U . . .
C41 C 0.6280(10) 0.3673(10) 0.5093(5) 0.056(4) Uani 1 1 d . U . . .
H41 H 0.601711 0.353973 0.531535 0.067 Uiso 1 1 calc R . . . .
C42 C 0.7112(10) 0.3673(11) 0.5088(6) 0.066(4) Uani 1 1 d . U . . .
H42 H 0.741141 0.351669 0.529256 0.079 Uiso 1 1 calc R . . . .
C43 C 0.7489(10) 0.3912(11) 0.4768(6) 0.064(4) Uani 1 1 d . U . . .
H43 H 0.805357 0.393246 0.476586 0.077 Uiso 1 1 calc R . . . .
C44 C 0.7087(9) 0.4114(10) 0.4463(5) 0.052(4) Uani 1 1 d . U . . .
H44 H 0.736644 0.427037 0.425200 0.063 Uiso 1 1 calc R . . . .
C45 C 0.6231(10) 0.4091(9) 0.4462(5) 0.051(4) Uani 1 1 d . U . . .
H45 H 0.593913 0.422684 0.424942 0.061 Uiso 1 1 calc R . . . .
C46 C 0.3208(8) 0.3747(8) 0.5542(4) 0.032(3) Uani 1 1 d . U . . .
C47 C 0.3701(8) 0.3298(7) 0.5697(5) 0.036(3) Uani 1 1 d . U . . .
H47 H 0.396533 0.338824 0.592684 0.043 Uiso 1 1 calc R . . . .
C48 C 0.3834(9) 0.2722(8) 0.5535(5) 0.045(4) Uani 1 1 d . U . . .
H48 H 0.415893 0.243361 0.565958 0.055 Uiso 1 1 calc R . . . .
C49 C 0.3467(9) 0.2582(9) 0.5179(5) 0.051(4) Uani 1 1 d . U . . .
H49 H 0.354841 0.220304 0.505963 0.061 Uiso 1 1 calc R . . . .
C50 C 0.2988(9) 0.3024(9) 0.5017(5) 0.046(4) Uani 1 1 d . U . . .
H50 H 0.274055 0.293891 0.478253 0.056 Uiso 1 1 calc R . . . .
C51 C 0.2850(8) 0.3597(8) 0.5186(4) 0.035(3) Uani 1 1 d . U . . .
C52 C 0.2370(8) 0.4058(8) 0.4968(4) 0.038(3) Uani 1 1 d . U . . .
H52 H 0.225317 0.398428 0.471043 0.046 Uiso 1 1 calc R . . . .
C53 C 0.1290(9) 0.5412(9) 0.5027(4) 0.045(3) Uani 1 1 d . U . . .
C54 C 0.0962(11) 0.5889(11) 0.4756(5) 0.062(4) Uani 1 1 d . U . . .
H54 H 0.125659 0.627651 0.479671 0.074 Uiso 1 1 calc R . . . .
C55 C 0.0077(11) 0.6005(13) 0.4806(6) 0.075(4) Uani 1 1 d . U . . .
C56 C -0.0469(13) 0.5811(15) 0.4535(7) 0.096(5) Uani 1 1 d . U . . .
H56 H -0.027168 0.560808 0.431883 0.115 Uiso 1 1 calc R . . . .
C57 C -0.1286(14) 0.5899(16) 0.4564(8) 0.108(6) Uani 1 1 d . U . . .
H57 H -0.164667 0.572240 0.439046 0.130 Uiso 1 1 calc R . . . .
C58 C -0.1559(14) 0.6274(16) 0.4874(8) 0.108(6) Uani 1 1 d . U . . .
H58 H -0.210100 0.639316 0.488627 0.130 Uiso 1 1 calc R . . . .
C59 C -0.1046(14) 0.6455(15) 0.5143(8) 0.107(6) Uani 1 1 d . U . . .
H59 H -0.123213 0.668150 0.535216 0.128 Uiso 1 1 calc R . . . .
C60 C -0.0219(12) 0.6304(14) 0.5112(7) 0.089(5) Uani 1 1 d . U . . .
H60 H 0.013200 0.641483 0.530972 0.107 Uiso 1 1 calc R . . . .
C61 C 0.0989(7) 0.5929(5) 0.6374(4) 0.023(2) Uani 1 1 d . U . . .
C62 C 0.1227(9) 0.6490(7) 0.6558(4) 0.030(3) Uani 1 1 d . U . . .
H62 H 0.175345 0.652856 0.665266 0.036 Uiso 1 1 calc R . . . .
C63 C 0.0708(9) 0.6965(7) 0.6598(4) 0.033(3) Uani 1 1 d . U . . .
H63 H 0.088129 0.732175 0.672133 0.040 Uiso 1 1 calc R . . . .
C64 C -0.0088(9) 0.6933(7) 0.6459(4) 0.036(3) Uani 1 1 d . U . . .
H64 H -0.044242 0.726429 0.648605 0.043 Uiso 1 1 calc R . . . .
C65 C -0.0328(8) 0.6402(7) 0.6281(4) 0.033(3) Uani 1 1 d . U . . .
H65 H -0.085941 0.637443 0.619200 0.039 Uiso 1 1 calc R . . . .
C66 C 0.0194(8) 0.5893(6) 0.6227(4) 0.026(3) Uani 1 1 d . U . . .
C67 C -0.0099(8) 0.5338(7) 0.6052(4) 0.028(3) Uani 1 1 d . U . . .
H67 H -0.065929 0.530421 0.602636 0.034 Uiso 1 1 calc R . . . .
C68 C 0.0375(8) 0.3962(7) 0.5607(4) 0.027(3) Uani 1 1 d . U . . .
C69 C -0.0077(8) 0.3435(7) 0.5416(4) 0.032(3) Uani 1 1 d . U . . .
H69 H 0.004883 0.304835 0.554898 0.038 Uiso 1 1 calc R . . . .
C70 C 0.0209(8) 0.3396(7) 0.4998(4) 0.030(3) Uani 1 1 d . U . . .
C71 C -0.0055(9) 0.3847(8) 0.4741(5) 0.037(3) Uani 1 1 d . U . . .
H71 H -0.040028 0.415837 0.482571 0.045 Uiso 1 1 calc R . . . .
C72 C 0.0197(10) 0.3833(9) 0.4358(5) 0.046(4) Uani 1 1 d . U . . .
H72 H 0.001965 0.413121 0.418495 0.055 Uiso 1 1 calc R . . . .
C73 C 0.0716(10) 0.3367(8) 0.4240(5) 0.043(3) Uani 1 1 d . U . . .
H73 H 0.088952 0.334939 0.398534 0.052 Uiso 1 1 calc R . . . .
C74 C 0.0975(9) 0.2925(8) 0.4502(4) 0.043(3) Uani 1 1 d . U . . .
H74 H 0.132525 0.261242 0.442295 0.052 Uiso 1 1 calc R . . . .
C75 C 0.0711(9) 0.2948(8) 0.4883(4) 0.038(3) Uani 1 1 d . U . . .
H75 H 0.088535 0.265127 0.505712 0.046 Uiso 1 1 calc R . . . .
C76 C 0.1449(7) 0.3550(6) 0.6360(4) 0.025(2) Uani 1 1 d . U . . .
C77 C 0.1852(9) 0.3064(7) 0.6181(4) 0.031(3) Uani 1 1 d . U . . .
H77 H 0.237686 0.312451 0.608963 0.038 Uiso 1 1 calc R . . . .
C78 C 0.1495(10) 0.2505(7) 0.6136(5) 0.041(3) Uani 1 1 d . U . . .
H78 H 0.177698 0.219332 0.601036 0.049 Uiso 1 1 calc R . . . .
C79 C 0.0709(10) 0.2385(7) 0.6275(5) 0.043(3) Uani 1 1 d . U . . .
H79 H 0.046563 0.200158 0.624161 0.052 Uiso 1 1 calc R . . . .
C80 C 0.0317(9) 0.2852(7) 0.6461(4) 0.035(3) Uani 1 1 d . U . . .
H80 H -0.020285 0.277859 0.655522 0.042 Uiso 1 1 calc R . . . .
C81 C 0.0659(8) 0.3439(6) 0.6516(4) 0.028(3) Uani 1 1 d . U . . .
C82 C 0.0183(8) 0.3901(7) 0.6706(4) 0.030(3) Uani 1 1 d . U . . .
H82 H -0.035757 0.380993 0.675976 0.036 Uiso 1 1 calc R . . . .
C83 C 0.0171(8) 0.5313(7) 0.7144(4) 0.031(3) Uani 1 1 d . U . . .
C84 C -0.0444(9) 0.5753(9) 0.7325(5) 0.044(3) Uani 1 1 d . U . . .
H84 H -0.037290 0.617211 0.722481 0.053 Uiso 1 1 calc R . . . .
C85 C -0.0314(10) 0.5738(9) 0.7754(5) 0.048(3) Uani 1 1 d . U . . .
C86 C -0.0728(11) 0.5377(10) 0.7994(6) 0.063(4) Uani 1 1 d . U . . .
H86 H -0.114587 0.513465 0.789622 0.076 Uiso 1 1 calc R . . . .
C87 C -0.0564(13) 0.5351(12) 0.8373(6) 0.078(5) Uani 1 1 d . U . . .
H87 H -0.087794 0.509669 0.852908 0.094 Uiso 1 1 calc R . . . .
C88 C 0.0045(13) 0.5685(12) 0.8536(6) 0.079(5) Uani 1 1 d . U . . .
H88 H 0.017848 0.564038 0.879434 0.095 Uiso 1 1 calc R . . . .
C89 C 0.0457(13) 0.6093(12) 0.8301(6) 0.078(5) Uani 1 1 d . U . . .
H89 H 0.084776 0.635635 0.840329 0.094 Uiso 1 1 calc R . . . .
C90 C 0.0277(12) 0.6104(11) 0.7910(6) 0.065(4) Uani 1 1 d . U . . .
H90 H 0.056746 0.636798 0.775009 0.079 Uiso 1 1 calc R . . . .
C91 C 0.2771(8) 0.6098(7) 0.7260(4) 0.023(3) Uani 1 1 d . U . . .
C92 C 0.3054(8) 0.6685(7) 0.7136(4) 0.031(3) Uani 1 1 d . U . . .
H92 H 0.328177 0.672850 0.689223 0.037 Uiso 1 1 calc R . . . .
C93 C 0.2990(9) 0.7189(8) 0.7376(4) 0.038(3) Uani 1 1 d . U . . .
H93 H 0.315925 0.757242 0.728691 0.045 Uiso 1 1 calc R . . . .
C94 C 0.2679(9) 0.7142(8) 0.7748(5) 0.038(3) Uani 1 1 d . U . . .
H94 H 0.263461 0.748778 0.790515 0.046 Uiso 1 1 calc R . . . .
C95 C 0.2447(9) 0.6585(7) 0.7871(5) 0.035(3) Uani 1 1 d . U . . .
H95 H 0.225992 0.654888 0.812283 0.042 Uiso 1 1 calc R . . . .
C96 C 0.2469(8) 0.6041(7) 0.7639(4) 0.027(3) Uani 1 1 d . U . . .
C97 C 0.2215(8) 0.5473(7) 0.7809(4) 0.031(3) Uani 1 1 d . U . . .
H97 H 0.214103 0.546089 0.807397 0.037 Uiso 1 1 calc R . . . .
C98 C 0.1611(8) 0.3958(7) 0.7633(4) 0.029(3) Uani 1 1 d . U . . .
C99 C 0.1346(9) 0.3404(8) 0.7863(5) 0.039(3) Uani 1 1 d . U . . .
H99 H 0.163076 0.303906 0.776536 0.047 Uiso 1 1 calc R . . . .
C100 C 0.0424(10) 0.3327(8) 0.7785(5) 0.045(3) Uani 1 1 d . U . . .
C101 C 0.0150(10) 0.2907(8) 0.7529(5) 0.047(4) Uani 1 1 d . U . . .
H101 H 0.051070 0.264321 0.740511 0.056 Uiso 1 1 calc R . . . .
C102 C -0.0696(11) 0.2872(9) 0.7453(6) 0.055(4) Uani 1 1 d . U . . .
H102 H -0.089462 0.257810 0.728222 0.066 Uiso 1 1 calc R . . . .
C103 C -0.1223(11) 0.3275(9) 0.7633(6) 0.059(4) Uani 1 1 d . U . . .
H103 H -0.177290 0.327306 0.757111 0.070 Uiso 1 1 calc R . . . .
C104 C -0.0929(12) 0.3677(9) 0.7904(6) 0.067(4) Uani 1 1 d . U . . .
H104 H -0.129036 0.392168 0.804125 0.080 Uiso 1 1 calc R . . . .
C105 C -0.0123(11) 0.3724(9) 0.7975(6) 0.062(4) Uani 1 1 d . U . . .
H105 H 0.006928 0.401650 0.814818 0.074 Uiso 1 1 calc R . . . .
C106 C 0.3334(8) 0.3795(6) 0.7225(4) 0.023(3) Uani 1 1 d . U . . .
C107 C 0.3100(8) 0.3229(7) 0.7071(4) 0.029(3) Uani 1 1 d . U . . .
H107 H 0.290307 0.321097 0.682037 0.035 Uiso 1 1 calc R . . . .
C108 C 0.3158(9) 0.2696(7) 0.7284(4) 0.034(3) Uani 1 1 d . U . . .
H108 H 0.300561 0.232018 0.717751 0.041 Uiso 1 1 calc R . . . .
C109 C 0.3440(10) 0.2723(8) 0.7654(5) 0.042(3) Uani 1 1 d . U . . .
H109 H 0.348775 0.236067 0.779559 0.050 Uiso 1 1 calc R . . . .
C110 C 0.3653(10) 0.3274(7) 0.7819(5) 0.041(3) Uani 1 1 d . U . . .
H110 H 0.381701 0.328711 0.807511 0.049 Uiso 1 1 calc R . . . .
C111 C 0.3624(9) 0.3820(7) 0.7601(4) 0.029(3) Uani 1 1 d . U . . .
C112 C 0.3888(8) 0.4389(7) 0.7787(4) 0.029(3) Uani 1 1 d . U . . .
H112 H 0.395917 0.438793 0.805207 0.034 Uiso 1 1 calc R . . . .
C113 C 0.4539(8) 0.5885(7) 0.7646(4) 0.024(3) Uani 1 1 d . U . . .
C114 C 0.4806(8) 0.6406(7) 0.7896(4) 0.031(3) Uani 1 1 d . U . . .
H114 H 0.477445 0.678231 0.773998 0.037 Uiso 1 1 calc R . . . .
C115 C 0.5688(8) 0.6336(7) 0.8021(4) 0.031(3) Uani 1 1 d . U . . .
C116 C 0.6253(9) 0.6119(7) 0.7781(5) 0.039(3) Uani 1 1 d . U . . .
H116 H 0.610611 0.601496 0.753110 0.047 Uiso 1 1 calc R . . . .
C117 C 0.7076(9) 0.6041(8) 0.7899(5) 0.041(3) Uani 1 1 d . U . . .
H117 H 0.746683 0.588949 0.773062 0.049 Uiso 1 1 calc R . . . .
C118 C 0.7269(10) 0.6198(8) 0.8266(5) 0.046(4) Uani 1 1 d . U . . .
H118 H 0.780046 0.614558 0.835106 0.055 Uiso 1 1 calc R . . . .
C119 C 0.6697(9) 0.6433(8) 0.8517(5) 0.045(3) Uani 1 1 d . U . . .
H119 H 0.684844 0.654976 0.876448 0.054 Uiso 1 1 calc R . . . .
C120 C 0.5901(9) 0.6494(7) 0.8400(4) 0.038(3) Uani 1 1 d . U . . .
H120 H 0.550873 0.663771 0.857078 0.046 Uiso 1 1 calc R . . . .
O26 O 0.7806(10) 0.5461(8) 0.5648(5) 0.087(4) Uani 1 1 d . U . . .
H26A H 0.808811 0.577163 0.563123 0.130 Uiso 1 1 calc GR . . . .
C121 C 0.8045(15) 0.5028(11) 0.5357(7) 0.095(6) Uani 1 1 d . U . . .
H12C H 0.767057 0.504956 0.514513 0.142 Uiso 1 1 calc GR . . . .
H12D H 0.804152 0.461910 0.546211 0.142 Uiso 1 1 calc GR . . . .
H12E H 0.858123 0.512694 0.526777 0.142 Uiso 1 1 calc GR . . . .
O27 O 0.7584(8) 0.6555(7) 0.6080(4) 0.066(3) Uani 1 1 d . U . . .
O28 O 0.7650(12) 0.7522(9) 0.5923(5) 0.104(5) Uani 1 1 d . U . . .
O29 O 0.7885(9) 0.7272(8) 0.6520(5) 0.082(4) Uani 1 1 d . U . . .
N17 N 0.7721(11) 0.7107(10) 0.6173(6) 0.073(4) Uani 1 1 d . U . . .
O30 O 0.1981(11) 0.6369(9) 0.3893(5) 0.105(6) Uani 1 1 d . U . . .
H30A H 0.220613 0.605200 0.378856 0.158 Uiso 1 1 d R . . . .
H30B H 0.235353 0.663420 0.393096 0.158 Uiso 1 1 d R . . . .
O31 O 0.4097(13) 0.5139(7) 0.8638(4) 0.120(7) Uani 1 1 d . U . . .
H31A H 0.354955 0.511726 0.866157 0.180 Uiso 1 1 d R . . . .
H31B H 0.405815 0.550846 0.875347 0.180 Uiso 1 1 d R . . . .
O32 O 0.2883(15) 0.5292(9) 0.3648(5) 0.151(7) Uani 1 1 d D U . . .
O33 O 0.2500(18) 0.4291(12) 0.3739(6) 0.191(8) Uani 1 1 d D U . . .
O34 O 0.3026(13) 0.4847(10) 0.4220(5) 0.151(7) Uani 1 1 d D U . . .
N18 N 0.2752(18) 0.4843(10) 0.3891(5) 0.163(7) Uani 1 1 d D U . . .
O35 O -0.1672(10) 0.4253(10) 0.6208(6) 0.133(6) Uani 1 1 d D U . . .
O36 O -0.1584(12) 0.3193(11) 0.6099(6) 0.140(6) Uani 1 1 d D U . . .
O37 O -0.1836(13) 0.3563(12) 0.6685(6) 0.158(7) Uani 1 1 d D U . . .
N19 N -0.1635(16) 0.3674(11) 0.6331(6) 0.142(6) Uani 1 1 d D U . . .
O38 O -0.2195(10) 0.5428(11) 0.6550(6) 0.144(8) Uani 1 1 d . U . . .
H38A H -0.231403 0.574969 0.642173 0.216 Uiso 1 1 d R . . . .
H38B H -0.195073 0.513069 0.640643 0.216 Uiso 1 1 d R . . . .
O39 O 0.3291(16) 0.3305(14) 0.4068(6) 0.190(11) Uani 1 1 d . U . . .
H39A H 0.297653 0.323539 0.388179 0.285 Uiso 1 1 d R . . . .
H39B H 0.319003 0.367279 0.406149 0.285 Uiso 1 1 d 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 Dy2 3.5777(8) . ?
Dy1 Dy4 3.5563(7) . ?
Dy1 O1 2.541(8) . ?
Dy1 O2 2.303(9) . ?
Dy1 O3 2.401(8) . ?
Dy1 O5 2.379(8) . ?
Dy1 O20 2.404(9) . ?
Dy1 O23 2.310(9) . ?
Dy1 O24 2.408(9) . ?
Dy1 N1 2.648(10) . ?
Dy1 N15 2.634(10) . ?
Dy2 Dy3 3.5454(7) . ?
Dy2 O1 2.480(9) . ?
Dy2 O14 2.395(9) . ?
Dy2 O17 2.305(9) . ?
Dy2 O18 2.419(9) . ?
Dy2 O20 2.312(9) . ?
Dy2 O21 2.404(10) . ?
Dy2 O23 2.405(9) . ?
Dy2 N11 2.642(11) . ?
Dy2 N13 2.598(11) . ?
Dy3 Dy4 3.5497(8) . ?
Dy3 O1 2.524(8) . ?
Dy3 O8 2.367(10) . ?
Dy3 O11 2.321(8) . ?
Dy3 O12 2.455(9) . ?
Dy3 O14 2.316(9) . ?
Dy3 O15 2.384(9) . ?
Dy3 O17 2.399(9) . ?
Dy3 N7 2.623(11) . ?
Dy3 N9 2.677(10) . ?
Dy4 O1 2.515(9) . ?
Dy4 O2 2.425(9) . ?
Dy4 O5 2.309(9) . ?
Dy4 O6 2.387(9) . ?
Dy4 O8 2.330(9) . ?
Dy4 O9 2.433(9) . ?
Dy4 O11 2.362(9) . ?
Dy4 N4 2.605(9) . ?
Dy4 N5 2.599(11) . ?
O2 C1 1.335(15) . ?
O3 C8 1.206(15) . ?
O4 C9 1.42(2) . ?
O5 C16 1.328(14) . ?
O6 C23 1.252(16) . ?
O7 C24 1.449(18) . ?
O8 C31 1.285(18) . ?
O9 C38 1.245(17) . ?
O10 C39 1.42(2) . ?
O11 C46 1.330(18) . ?
O12 C53 1.255(18) . ?
O13 C54 1.50(2) . ?
O14 C61 1.339(14) . ?
O15 C68 1.241(16) . ?
O16 C69 1.426(16) . ?
O17 C76 1.355(15) . ?
O18 C83 1.264(16) . ?
O19 C84 1.450(18) . ?
O20 C91 1.339(16) . ?
O21 C98 1.238(16) . ?
O22 C99 1.394(19) . ?
O23 C106 1.346(16) . ?
O24 C113 1.248(16) . ?
O25 C114 1.403(16) . ?
N1 N2 1.392(15) . ?
N1 C7 1.296(17) . ?
N2 C8 1.384(18) . ?
N3 N4 1.389(15) . ?
N3 C23 1.327(18) . ?
N4 C22 1.282(16) . ?
N5 N6 1.346(17) . ?
N5 C37 1.30(2) . ?
N6 C38 1.40(2) . ?
N7 N8 1.352(16) . ?
N7 C52 1.28(2) . ?
N8 C53 1.41(2) . ?
N9 N10 1.331(15) . ?
N9 C67 1.224(17) . ?
N10 C68 1.377(18) . ?
N11 N12 1.34(3) . ?
N11 N12A 1.44(3) . ?
N11 C82 1.286(18) . ?
N12 C83 1.33(3) . ?
N12A C83 1.24(3) . ?
N13 N14 1.400(17) . ?
N13 C97 1.305(18) . ?
N14 C98 1.331(19) . ?
N15 N16 1.381(16) . ?
N15 C112 1.273(17) . ?
N16 C113 1.362(19) . ?
C1 C2 1.410(19) . ?
C1 C6 1.420(18) . ?
C2 C3 1.41(2) . ?
C3 C4 1.39(2) . ?
C4 C5 1.36(2) . ?
C5 C6 1.419(19) . ?
C6 C7 1.421(19) . ?
C8 C9 1.53(2) . ?
C9 C10 1.48(3) . ?
C10 C11 1.39(3) . ?
C10 C15 1.36(3) . ?
C11 C12 1.424(18) . ?
C12 C13 1.413(18) . ?
C13 C14 1.356(18) . ?
C14 C15 1.36(3) . ?
C16 C17 1.428(18) . ?
C16 C21 1.447(17) . ?
C17 C18 1.34(2) . ?
C18 C19 1.41(2) . ?
C19 C20 1.37(2) . ?
C20 C21 1.382(19) . ?
C21 C22 1.453(19) . ?
C23 C24 1.50(2) . ?
C24 C25 1.49(2) . ?
C25 C26 1.34(3) . ?
C25 C30 1.39(3) . ?
C26 C27 1.47(3) . ?
C27 C28 1.39(4) . ?
C28 C29 1.28(4) . ?
C29 C30 1.29(3) . ?
C31 C32 1.41(2) . ?
C31 C36 1.45(2) . ?
C32 C33 1.41(2) . ?
C33 C34 1.40(3) . ?
C34 C35 1.35(3) . ?
C35 C36 1.41(2) . ?
C36 C37 1.41(3) . ?
C38 C39 1.50(2) . ?
C39 C40 1.51(2) . ?
C40 C41 1.36(2) . ?
C40 C45 1.42(2) . ?
C41 C42 1.37(2) . ?
C42 C43 1.37(3) . ?
C43 C44 1.32(2) . ?
C44 C45 1.41(2) . ?
C46 C47 1.38(2) . ?
C46 C51 1.41(2) . ?
C47 C48 1.39(2) . ?
C48 C49 1.41(2) . ?
C49 C50 1.36(3) . ?
C50 C51 1.39(2) . ?
C51 C52 1.48(2) . ?
C53 C54 1.50(2) . ?
C54 C55 1.49(2) . ?
C55 C56 1.37(3) . ?
C55 C60 1.34(3) . ?
C56 C57 1.36(3) . ?
C57 C58 1.42(4) . ?
C58 C59 1.32(4) . ?
C59 C60 1.40(3) . ?
C61 C62 1.430(19) . ?
C61 C66 1.407(18) . ?
C62 C63 1.34(2) . ?
C63 C64 1.40(2) . ?
C64 C65 1.36(2) . ?
C65 C66 1.412(19) . ?
C66 C67 1.431(19) . ?
C68 C69 1.52(2) . ?
C69 C70 1.53(2) . ?
C70 C71 1.39(2) . ?
C70 C75 1.34(2) . ?
C71 C72 1.40(2) . ?
C72 C73 1.39(2) . ?
C73 C74 1.39(2) . ?
C74 C75 1.39(2) . ?
C76 C77 1.39(2) . ?
C76 C81 1.428(19) . ?
C77 C78 1.36(2) . ?
C78 C79 1.41(2) . ?
C79 C80 1.36(2) . ?
C80 C81 1.41(2) . ?
C81 C82 1.43(2) . ?
C83 C84 1.53(2) . ?
C84 C85 1.51(2) . ?
C85 C86 1.33(3) . ?
C85 C90 1.37(3) . ?
C86 C87 1.35(3) . ?
C87 C88 1.36(3) . ?
C88 C89 1.38(3) . ?
C89 C90 1.39(3) . ?
C91 C92 1.42(2) . ?
C91 C96 1.414(19) . ?
C92 C93 1.38(2) . ?
C93 C94 1.39(2) . ?
C94 C95 1.34(2) . ?
C95 C96 1.43(2) . ?
C96 C97 1.43(2) . ?
C98 C99 1.51(2) . ?
C99 C100 1.55(2) . ?
C100 C101 1.35(2) . ?
C100 C105 1.41(3) . ?
C101 C102 1.42(2) . ?
C102 C103 1.38(3) . ?
C103 C104 1.37(3) . ?
C104 C105 1.35(3) . ?
C106 C107 1.391(19) . ?
C106 C111 1.394(19) . ?
C107 C108 1.38(2) . ?
C108 C109 1.37(2) . ?
C109 C110 1.37(2) . ?
C110 C111 1.41(2) . ?
C111 C112 1.46(2) . ?
C113 C114 1.492(19) . ?
C114 C115 1.523(19) . ?
C115 C116 1.34(2) . ?
C115 C120 1.41(2) . ?
C116 C117 1.43(2) . ?
C117 C118 1.36(2) . ?
C118 C119 1.38(2) . ?
C119 C120 1.38(2) . ?
O26 C121 1.43(3) . ?
O27 N17 1.26(2) . ?
O28 N17 1.26(2) . ?
O29 N17 1.29(2) . ?
O32 N18 1.307(19) . ?
O33 N18 1.37(2) . ?
O34 N18 1.232(19) . ?
O35 N19 1.33(2) . ?
O36 N19 1.32(2) . ?
O37 N19 1.30(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
Dy4 Dy1 Dy2 88.886(18) . . ?
O1 Dy1 Dy2 43.9(2) . . ?
O1 Dy1 Dy4 45.0(2) . . ?
O1 Dy1 N1 127.5(3) . . ?
O1 Dy1 N15 127.7(3) . . ?
O2 Dy1 Dy2 101.4(2) . . ?
O2 Dy1 Dy4 42.5(2) . . ?
O2 Dy1 O1 67.8(3) . . ?
O2 Dy1 O3 125.2(3) . . ?
O2 Dy1 O5 77.0(3) . . ?
O2 Dy1 O20 87.5(3) . . ?
O2 Dy1 O23 135.2(3) . . ?
O2 Dy1 O24 87.8(3) . . ?
O2 Dy1 N1 66.3(3) . . ?
O2 Dy1 N15 149.0(3) . . ?
O3 Dy1 Dy2 130.2(2) . . ?
O3 Dy1 Dy4 112.5(2) . . ?
O3 Dy1 O1 136.9(3) . . ?
O3 Dy1 O20 143.0(3) . . ?
O3 Dy1 O24 86.2(3) . . ?
O3 Dy1 N1 62.2(3) . . ?
O3 Dy1 N15 65.3(3) . . ?
O5 Dy1 Dy2 101.93(19) . . ?
O5 Dy1 Dy4 39.9(2) . . ?
O5 Dy1 O1 67.8(3) . . ?
O5 Dy1 O3 75.5(3) . . ?
O5 Dy1 O20 134.8(3) . . ?
O5 Dy1 O24 142.3(3) . . ?
O5 Dy1 N1 78.4(3) . . ?
O5 Dy1 N15 132.1(3) . . ?
O20 Dy1 Dy2 39.7(2) . . ?
O20 Dy1 Dy4 103.4(2) . . ?
O20 Dy1 O1 67.1(3) . . ?
O20 Dy1 O24 77.5(3) . . ?
O20 Dy1 N1 133.0(3) . . ?
O20 Dy1 N15 77.6(3) . . ?
O23 Dy1 Dy2 41.7(2) . . ?
O23 Dy1 Dy4 101.5(2) . . ?
O23 Dy1 O1 67.5(3) . . ?
O23 Dy1 O3 89.0(3) . . ?
O23 Dy1 O5 86.6(3) . . ?
O23 Dy1 O20 75.1(3) . . ?
O23 Dy1 O24 126.4(3) . . ?
O23 Dy1 N1 150.0(3) . . ?
O23 Dy1 N15 67.0(3) . . ?
O24 Dy1 Dy2 114.9(2) . . ?
O24 Dy1 Dy4 129.4(2) . . ?
O24 Dy1 O1 137.0(3) . . ?
O24 Dy1 N1 63.8(3) . . ?
O24 Dy1 N15 62.6(3) . . ?
N1 Dy1 Dy2 167.4(2) . . ?
N1 Dy1 Dy4 83.5(2) . . ?
N15 Dy1 Dy2 84.4(2) . . ?
N15 Dy1 Dy4 167.9(2) . . ?
N15 Dy1 N1 104.8(3) . . ?
Dy3 Dy2 Dy1 90.656(18) . . ?
O1 Dy2 Dy1 45.26(18) . . ?
O1 Dy2 Dy3 45.40(18) . . ?
O1 Dy2 N11 128.6(3) . . ?
O1 Dy2 N13 130.4(3) . . ?
O14 Dy2 Dy1 101.52(18) . . ?
O14 Dy2 Dy3 40.4(2) . . ?
O14 Dy2 O1 66.5(3) . . ?
O14 Dy2 O18 74.5(3) . . ?
O14 Dy2 O21 143.7(3) . . ?
O14 Dy2 O23 133.6(3) . . ?
O14 Dy2 N11 79.6(3) . . ?
O14 Dy2 N13 133.7(3) . . ?
O17 Dy2 Dy1 103.4(2) . . ?
O17 Dy2 Dy3 42.1(2) . . ?
O17 Dy2 O1 68.7(3) . . ?
O17 Dy2 O14 77.5(3) . . ?
O17 Dy2 O18 125.2(3) . . ?
O17 Dy2 O20 138.2(3) . . ?
O17 Dy2 O21 83.9(3) . . ?
O17 Dy2 O23 87.6(3) . . ?
O17 Dy2 N11 66.9(3) . . ?
O17 Dy2 N13 145.9(3) . . ?
O18 Dy2 Dy1 127.8(2) . . ?
O18 Dy2 Dy3 111.6(2) . . ?
O18 Dy2 O1 134.3(3) . . ?
O18 Dy2 N11 62.3(3) . . ?
O18 Dy2 N13 65.8(3) . . ?
O20 Dy2 Dy1 41.6(2) . . ?
O20 Dy2 Dy3 104.8(2) . . ?
O20 Dy2 O1 69.5(3) . . ?
O20 Dy2 O14 87.4(3) . . ?
O20 Dy2 O18 86.3(3) . . ?
O20 Dy2 O21 125.8(3) . . ?
O20 Dy2 O23 75.1(3) . . ?
O20 Dy2 N11 148.2(3) . . ?
O20 Dy2 N13 67.8(3) . . ?
O21 Dy2 Dy1 113.0(2) . . ?
O21 Dy2 Dy3 125.6(2) . . ?
O21 Dy2 O1 133.7(3) . . ?
O21 Dy2 O18 91.9(3) . . ?
O21 Dy2 O23 75.4(3) . . ?
O21 Dy2 N11 64.5(3) . . ?
O21 Dy2 N13 62.5(3) . . ?
O23 Dy2 Dy1 39.7(2) . . ?
O23 Dy2 Dy3 103.0(2) . . ?
O23 Dy2 O1 67.1(3) . . ?
O23 Dy2 O18 143.9(3) . . ?
O23 Dy2 N11 133.7(3) . . ?
O23 Dy2 N13 78.5(3) . . ?
N11 Dy2 Dy1 169.9(3) . . ?
N11 Dy2 Dy3 83.8(2) . . ?
N13 Dy2 Dy1 85.5(2) . . ?
N13 Dy2 Dy3 171.9(3) . . ?
N13 Dy2 N11 101.0(3) . . ?
Dy2 Dy3 Dy4 89.505(18) . . ?
O1 Dy3 Dy2 44.4(2) . . ?
O1 Dy3 Dy4 45.1(2) . . ?
O1 Dy3 N7 127.9(3) . . ?
O1 Dy3 N9 128.5(3) . . ?
O8 Dy3 Dy2 102.8(2) . . ?
O8 Dy3 Dy4 40.5(2) . . ?
O8 Dy3 O1 67.6(3) . . ?
O8 Dy3 O12 74.9(3) . . ?
O8 Dy3 O15 145.2(3) . . ?
O8 Dy3 O17 134.2(3) . . ?
O8 Dy3 N7 81.6(4) . . ?
O8 Dy3 N9 128.7(3) . . ?
O11 Dy3 Dy2 100.3(2) . . ?
O11 Dy3 Dy4 41.2(2) . . ?
O11 Dy3 O1 66.9(3) . . ?
O11 Dy3 O8 76.7(3) . . ?
O11 Dy3 O12 123.7(3) . . ?
O11 Dy3 O15 90.1(3) . . ?
O11 Dy3 O17 84.6(3) . . ?
O11 Dy3 N7 65.7(3) . . ?
O11 Dy3 N9 152.4(3) . . ?
O12 Dy3 Dy2 132.9(3) . . ?
O12 Dy3 Dy4 111.7(2) . . ?
O12 Dy3 O1 137.2(4) . . ?
O12 Dy3 N7 62.8(4) . . ?
O12 Dy3 N9 63.8(3) . . ?
O14 Dy3 Dy2 42.0(2) . . ?
O14 Dy3 Dy4 101.66(19) . . ?
O14 Dy3 O1 66.9(3) . . ?
O14 Dy3 O8 86.4(3) . . ?
O14 Dy3 O11 133.8(3) . . ?
O14 Dy3 O12 91.4(3) . . ?
O14 Dy3 O15 124.0(3) . . ?
O14 Dy3 O17 77.2(3) . . ?
O14 Dy3 N7 153.6(4) . . ?
O14 Dy3 N9 66.4(3) . . ?
O15 Dy3 Dy2 111.2(2) . . ?
O15 Dy3 Dy4 130.7(2) . . ?
O15 Dy3 O1 136.1(3) . . ?
O15 Dy3 O12 86.7(4) . . ?
O15 Dy3 O17 74.7(3) . . ?
O15 Dy3 N7 63.6(4) . . ?
O15 Dy3 N9 62.9(3) . . ?
O17 Dy3 Dy2 40.1(2) . . ?
O17 Dy3 Dy4 101.38(19) . . ?
O17 Dy3 O1 66.6(3) . . ?
O17 Dy3 O12 146.6(3) . . ?
O17 Dy3 N7 127.3(4) . . ?
O17 Dy3 N9 82.9(3) . . ?
N7 Dy3 Dy2 164.2(3) . . ?
N7 Dy3 Dy4 84.2(2) . . ?
N7 Dy3 N9 103.6(3) . . ?
N9 Dy3 Dy2 85.6(2) . . ?
N9 Dy3 Dy4 166.4(2) . . ?
Dy3 Dy4 Dy1 90.935(18) . . ?
O1 Dy4 Dy1 45.61(18) . . ?
O1 Dy4 Dy3 45.33(18) . . ?
O1 Dy4 N4 131.1(3) . . ?
O1 Dy4 N5 127.4(3) . . ?
O2 Dy4 Dy1 39.9(2) . . ?
O2 Dy4 Dy3 101.71(19) . . ?
O2 Dy4 O1 66.4(3) . . ?
O2 Dy4 O9 145.8(3) . . ?
O2 Dy4 N4 82.2(3) . . ?
O2 Dy4 N5 133.3(4) . . ?
O5 Dy4 Dy1 41.4(2) . . ?
O5 Dy4 Dy3 104.55(19) . . ?
O5 Dy4 O1 69.2(3) . . ?
O5 Dy4 O2 76.0(3) . . ?
O5 Dy4 O6 124.7(3) . . ?
O5 Dy4 O8 137.5(3) . . ?
O5 Dy4 O9 87.0(3) . . ?
O5 Dy4 O11 87.4(3) . . ?
O5 Dy4 N4 67.2(3) . . ?
O5 Dy4 N5 148.7(4) . . ?
O6 Dy4 Dy1 112.2(2) . . ?
O6 Dy4 Dy3 127.0(2) . . ?
O6 Dy4 O1 134.4(3) . . ?
O6 Dy4 O2 75.3(3) . . ?
O6 Dy4 O9 91.3(3) . . ?
O6 Dy4 N4 62.8(3) . . ?
O6 Dy4 N5 66.1(4) . . ?
O8 Dy4 Dy1 103.5(2) . . ?
O8 Dy4 Dy3 41.3(2) . . ?
O8 Dy4 O1 68.3(3) . . ?
O8 Dy4 O2 86.6(3) . . ?
O8 Dy4 O6 86.1(3) . . ?
O8 Dy4 O9 124.4(3) . . ?
O8 Dy4 O11 76.6(3) . . ?
O8 Dy4 N4 148.7(3) . . ?
O8 Dy4 N5 66.1(3) . . ?
O9 Dy4 Dy1 128.2(2) . . ?
O9 Dy4 Dy3 111.2(2) . . ?
O9 Dy4 O1 134.2(3) . . ?
O9 Dy4 N4 63.8(3) . . ?
O9 Dy4 N5 62.4(4) . . ?
O11 Dy4 Dy1 101.9(2) . . ?
O11 Dy4 Dy3 40.3(2) . . ?
O11 Dy4 O1 66.5(3) . . ?
O11 Dy4 O2 132.9(3) . . ?
O11 Dy4 O6 144.5(3) . . ?
O11 Dy4 O9 74.2(3) . . ?
O11 Dy4 N4 131.1(3) . . ?
O11 Dy4 N5 78.6(4) . . ?
N4 Dy4 Dy1 86.2(2) . . ?
N4 Dy4 Dy3 170.0(2) . . ?
N5 Dy4 Dy1 169.3(3) . . ?
N5 Dy4 Dy3 82.6(2) . . ?
N5 Dy4 N4 101.5(3) . . ?
Dy2 O1 Dy1 90.9(3) . . ?
Dy2 O1 Dy3 90.2(2) . . ?
Dy2 O1 Dy4 178.7(4) . . ?
Dy3 O1 Dy1 178.9(4) . . ?
Dy4 O1 Dy1 89.4(2) . . ?
Dy4 O1 Dy3 89.6(3) . . ?
Dy1 O2 Dy4 97.5(3) . . ?
C1 O2 Dy1 135.4(9) . . ?
C1 O2 Dy4 122.9(9) . . ?
C8 O3 Dy1 126.0(9) . . ?
Dy4 O5 Dy1 98.7(3) . . ?
C16 O5 Dy1 127.4(8) . . ?
C16 O5 Dy4 131.8(8) . . ?
C23 O6 Dy4 125.1(9) . . ?
Dy4 O8 Dy3 98.2(4) . . ?
C31 O8 Dy3 128.7(9) . . ?
C31 O8 Dy4 130.6(9) . . ?
C38 O9 Dy4 124.4(10) . . ?
Dy3 O11 Dy4 98.6(4) . . ?
C46 O11 Dy3 130.3(8) . . ?
C46 O11 Dy4 129.5(8) . . ?
C53 O12 Dy3 122.7(10) . . ?
Dy3 O14 Dy2 97.6(3) . . ?
C61 O14 Dy2 127.6(8) . . ?
C61 O14 Dy3 132.3(8) . . ?
C68 O15 Dy3 125.7(9) . . ?
Dy2 O17 Dy3 97.8(3) . . ?
C76 O17 Dy2 133.6(9) . . ?
C76 O17 Dy3 125.2(8) . . ?
C83 O18 Dy2 123.5(9) . . ?
Dy2 O20 Dy1 98.7(3) . . ?
C91 O20 Dy1 126.8(8) . . ?
C91 O20 Dy2 131.8(8) . . ?
C98 O21 Dy2 125.8(9) . . ?
Dy1 O23 Dy2 98.7(3) . . ?
C106 O23 Dy1 132.1(8) . . ?
C106 O23 Dy2 126.3(8) . . ?
C113 O24 Dy1 125.2(9) . . ?
N2 N1 Dy1 114.7(8) . . ?
C7 N1 Dy1 130.7(9) . . ?
C7 N1 N2 113.9(11) . . ?
C8 N2 N1 113.6(10) . . ?
C23 N3 N4 116.9(11) . . ?
N3 N4 Dy4 113.9(7) . . ?
C22 N4 Dy4 130.4(8) . . ?
C22 N4 N3 114.6(10) . . ?
N6 N5 Dy4 116.9(9) . . ?
C37 N5 Dy4 129.7(12) . . ?
C37 N5 N6 112.3(13) . . ?
N5 N6 C38 115.6(12) . . ?
N8 N7 Dy3 117.3(9) . . ?
C52 N7 Dy3 129.7(11) . . ?
C52 N7 N8 111.1(13) . . ?
N7 N8 C53 114.3(11) . . ?
N10 N9 Dy3 111.9(7) . . ?
C67 N9 Dy3 128.2(9) . . ?
C67 N9 N10 119.3(11) . . ?
N9 N10 C68 119.2(10) . . ?
N12 N11 Dy2 111.6(13) . . ?
N12A N11 Dy2 111.9(12) . . ?
C82 N11 Dy2 129.4(9) . . ?
C82 N11 N12 119.0(15) . . ?
C82 N11 N12A 116.3(14) . . ?
C83 N12 N11 118.2(19) . . ?
C83 N12A N11 117.2(19) . . ?
N14 N13 Dy2 114.2(8) . . ?
C97 N13 Dy2 129.5(10) . . ?
C97 N13 N14 115.6(11) . . ?
C98 N14 N13 116.8(12) . . ?
N16 N15 Dy1 114.6(8) . . ?
C112 N15 Dy1 130.6(9) . . ?
C112 N15 N16 114.1(11) . . ?
C113 N16 N15 116.0(11) . . ?
O2 C1 C2 119.9(12) . . ?
O2 C1 C6 122.1(12) . . ?
C2 C1 C6 118.0(12) . . ?
C3 C2 C1 121.3(13) . . ?
C4 C3 C2 119.4(14) . . ?
C5 C4 C3 120.1(14) . . ?
C4 C5 C6 122.1(13) . . ?
C1 C6 C7 122.8(12) . . ?
C5 C6 C1 118.9(13) . . ?
C5 C6 C7 118.2(12) . . ?
N1 C7 C6 124.0(12) . . ?
O3 C8 N2 123.4(12) . . ?
O3 C8 C9 121.9(13) . . ?
N2 C8 C9 114.8(12) . . ?
O4 C9 C8 108.9(13) . . ?
O4 C9 C10 111.7(16) . . ?
C10 C9 C8 109.8(15) . . ?
C11 C10 C9 121(2) . . ?
C15 C10 C9 120.6(18) . . ?
C15 C10 C11 118(2) . . ?
C10 C11 C12 114(2) . . ?
C13 C12 C11 125(3) . . ?
C14 C13 C12 117(3) . . ?
C13 C14 C15 115(2) . . ?
C10 C15 C14 128(2) . . ?
O5 C16 C17 121.2(11) . . ?
O5 C16 C21 122.7(11) . . ?
C17 C16 C21 116.1(11) . . ?
C18 C17 C16 121.6(13) . . ?
C17 C18 C19 121.8(13) . . ?
C20 C19 C18 118.4(12) . . ?
C19 C20 C21 122.1(12) . . ?
C16 C21 C22 121.3(12) . . ?
C20 C21 C16 120.0(12) . . ?
C20 C21 C22 118.7(12) . . ?
N4 C22 C21 123.7(12) . . ?
O6 C23 N3 121.0(13) . . ?
O6 C23 C24 120.6(13) . . ?
N3 C23 C24 118.3(12) . . ?
O7 C24 C23 110.2(12) . . ?
O7 C24 C25 108.7(13) . . ?
C25 C24 C23 108.7(14) . . ?
C26 C25 C24 120.5(18) . . ?
C26 C25 C30 119(2) . . ?
C30 C25 C24 120.4(19) . . ?
C25 C26 C27 116(2) . . ?
C28 C27 C26 117(3) . . ?
C29 C28 C27 124(3) . . ?
C28 C29 C30 118(3) . . ?
C29 C30 C25 125(2) . . ?
O8 C31 C32 120.9(14) . . ?
O8 C31 C36 121.9(16) . . ?
C32 C31 C36 117.1(15) . . ?
C33 C32 C31 121.4(17) . . ?
C34 C33 C32 119.8(18) . . ?
C35 C34 C33 120.2(17) . . ?
C34 C35 C36 122.2(19) . . ?
C35 C36 C31 119.2(17) . . ?
C35 C36 C37 118.1(16) . . ?
C37 C36 C31 122.5(15) . . ?
N5 C37 C36 122.6(15) . . ?
O9 C38 N6 120.0(14) . . ?
O9 C38 C39 122.5(16) . . ?
N6 C38 C39 117.5(14) . . ?
O10 C39 C38 111.2(15) . . ?
O10 C39 C40 109.0(13) . . ?
C38 C39 C40 109.3(14) . . ?
C41 C40 C39 121.5(16) . . ?
C41 C40 C45 117.7(15) . . ?
C45 C40 C39 120.8(16) . . ?
C40 C41 C42 123.0(18) . . ?
C41 C42 C43 117.6(18) . . ?
C44 C43 C42 123.1(17) . . ?
C43 C44 C45 119.3(17) . . ?
C44 C45 C40 119.2(16) . . ?
O11 C46 C47 121.4(13) . . ?
O11 C46 C51 123.3(14) . . ?
C47 C46 C51 115.3(14) . . ?
C46 C47 C48 124.8(15) . . ?
C47 C48 C49 118.9(17) . . ?
C50 C49 C48 117.3(16) . . ?
C49 C50 C51 123.2(16) . . ?
C46 C51 C52 121.0(14) . . ?
C50 C51 C46 120.5(15) . . ?
C50 C51 C52 118.3(14) . . ?
N7 C52 C51 122.0(14) . . ?
O12 C53 N8 122.4(14) . . ?
O12 C53 C54 120.3(17) . . ?
N8 C53 C54 117.2(14) . . ?
O13 C54 C53 105.6(16) . . ?
C55 C54 O13 111.3(16) . . ?
C55 C54 C53 113.3(16) . . ?
C56 C55 C54 121(2) . . ?
C60 C55 C54 122(2) . . ?
C60 C55 C56 117(2) . . ?
C57 C56 C55 124(3) . . ?
C56 C57 C58 117(3) . . ?
C59 C58 C57 120(2) . . ?
C58 C59 C60 120(3) . . ?
C55 C60 C59 122(2) . . ?
O14 C61 C62 119.7(11) . . ?
O14 C61 C66 122.6(11) . . ?
C66 C61 C62 117.7(12) . . ?
C63 C62 C61 121.5(13) . . ?
C62 C63 C64 121.6(14) . . ?
C65 C64 C63 118.0(14) . . ?
C64 C65 C66 122.9(13) . . ?
C61 C66 C65 118.3(12) . . ?
C61 C66 C67 120.9(12) . . ?
C65 C66 C67 120.6(12) . . ?
N9 C67 C66 127.6(12) . . ?
O15 C68 N10 120.1(13) . . ?
O15 C68 C69 122.1(13) . . ?
N10 C68 C69 117.8(11) . . ?
O16 C69 C68 110.7(12) . . ?
O16 C69 C70 109.7(11) . . ?
C68 C69 C70 107.8(12) . . ?
C71 C70 C69 118.2(13) . . ?
C75 C70 C69 121.1(14) . . ?
C75 C70 C71 120.6(15) . . ?
C70 C71 C72 120.2(15) . . ?
C73 C72 C71 118.8(17) . . ?
C72 C73 C74 119.9(15) . . ?
C73 C74 C75 120.1(16) . . ?
C70 C75 C74 120.3(16) . . ?
O17 C76 C77 120.7(12) . . ?
O17 C76 C81 120.8(12) . . ?
C77 C76 C81 118.4(12) . . ?
C78 C77 C76 121.4(14) . . ?
C77 C78 C79 121.7(16) . . ?
C80 C79 C78 117.5(15) . . ?
C79 C80 C81 123.2(14) . . ?
C76 C81 C82 123.7(12) . . ?
C80 C81 C76 117.8(13) . . ?
C80 C81 C82 118.4(13) . . ?
N11 C82 C81 124.2(12) . . ?
O18 C83 N12 118.3(15) . . ?
O18 C83 C84 119.1(14) . . ?
N12 C83 C84 120.3(16) . . ?
N12A C83 O18 124.4(17) . . ?
N12A C83 C84 116.6(16) . . ?
O19 C84 C83 109.4(14) . . ?
O19 C84 C85 107.8(13) . . ?
C85 C84 C83 107.5(13) . . ?
C86 C85 C84 124.0(17) . . ?
C86 C85 C90 117.3(19) . . ?
C90 C85 C84 118.7(18) . . ?
C85 C86 C87 122(2) . . ?
C86 C87 C88 122(2) . . ?
C87 C88 C89 117(2) . . ?
C88 C89 C90 119(2) . . ?
C85 C90 C89 122(2) . . ?
O20 C91 C92 120.3(12) . . ?
O20 C91 C96 120.9(13) . . ?
C96 C91 C92 118.5(13) . . ?
C93 C92 C91 119.9(14) . . ?
C92 C93 C94 122.2(16) . . ?
C95 C94 C93 117.9(15) . . ?
C94 C95 C96 123.8(15) . . ?
C91 C96 C95 117.6(14) . . ?
C91 C96 C97 124.3(13) . . ?
C97 C96 C95 118.1(13) . . ?
N13 C97 C96 123.7(13) . . ?
O21 C98 N14 120.6(14) . . ?
O21 C98 C99 122.1(14) . . ?
N14 C98 C99 117.3(13) . . ?
O22 C99 C98 110.8(13) . . ?
O22 C99 C100 113.9(13) . . ?
C98 C99 C100 106.0(13) . . ?
C101 C100 C99 121.0(16) . . ?
C101 C100 C105 120.4(17) . . ?
C105 C100 C99 118.5(16) . . ?
C100 C101 C102 119.1(18) . . ?
C103 C102 C101 119.9(19) . . ?
C104 C103 C102 119.4(18) . . ?
C105 C104 C103 121(2) . . ?
C104 C105 C100 119.6(19) . . ?
O23 C106 C107 118.9(12) . . ?
O23 C106 C111 121.6(12) . . ?
C107 C106 C111 119.4(13) . . ?
C108 C107 C106 120.9(13) . . ?
C109 C108 C107 119.7(14) . . ?
C108 C109 C110 121.1(15) . . ?
C109 C110 C111 119.9(15) . . ?
C106 C111 C110 118.9(14) . . ?
C106 C111 C112 123.5(13) . . ?
C110 C111 C112 117.6(13) . . ?
N15 C112 C111 123.4(12) . . ?
O24 C113 N16 121.6(12) . . ?
O24 C113 C114 122.8(13) . . ?
N16 C113 C114 115.6(12) . . ?
O25 C114 C113 112.4(12) . . ?
O25 C114 C115 111.5(12) . . ?
C113 C114 C115 111.8(12) . . ?
C116 C115 C114 121.5(14) . . ?
C116 C115 C120 119.8(14) . . ?
C120 C115 C114 118.7(13) . . ?
C115 C116 C117 121.7(16) . . ?
C118 C117 C116 117.6(15) . . ?
C117 C118 C119 121.7(15) . . ?
C120 C119 C118 119.9(16) . . ?
C119 C120 C115 119.3(15) . . ?
O27 N17 O29 123(2) . . ?
O28 N17 O27 119(2) . . ?
O28 N17 O29 118(2) . . ?
O32 N18 O33 116.8(16) . . ?
O34 N18 O32 122.4(19) . . ?
O34 N18 O33 118.4(17) . . ?
O36 N19 O35 123.6(18) . . ?
O37 N19 O35 117.9(18) . . ?
O37 N19 O36 116.7(17) . . ?

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 O2 C1 C2 -134.2(11) . . . . ?
Dy1 O2 C1 C6 47.6(18) . . . . ?
Dy1 O3 C8 N2 1(2) . . . . ?
Dy1 O3 C8 C9 -178.2(12) . . . . ?
Dy1 O5 C16 C17 67.8(15) . . . . ?
Dy1 O5 C16 C21 -110.5(13) . . . . ?
Dy1 O20 C91 C92 67.9(15) . . . . ?
Dy1 O20 C91 C96 -106.1(13) . . . . ?
Dy1 O23 C106 C107 -130.2(11) . . . . ?
Dy1 O23 C106 C111 53.0(17) . . . . ?
Dy1 O24 C113 N16 3.3(18) . . . . ?
Dy1 O24 C113 C114 -178.3(9) . . . . ?
Dy1 N1 N2 C8 0.8(13) . . . . ?
Dy1 N1 C7 C6 -11(2) . . . . ?
Dy1 N15 N16 C113 0.7(14) . . . . ?
Dy1 N15 C112 C111 -9(2) . . . . ?
Dy2 O14 C61 C62 70.4(14) . . . . ?
Dy2 O14 C61 C66 -108.0(13) . . . . ?
Dy2 O17 C76 C77 -132.0(12) . . . . ?
Dy2 O17 C76 C81 49.2(17) . . . . ?
Dy2 O18 C83 N12 -17(2) . . . . ?
Dy2 O18 C83 N12A 2(2) . . . . ?
Dy2 O18 C83 C84 179.9(10) . . . . ?
Dy2 O20 C91 C92 -135.0(11) . . . . ?
Dy2 O20 C91 C96 51.1(17) . . . . ?
Dy2 O21 C98 N14 -0.7(19) . . . . ?
Dy2 O21 C98 C99 178.2(10) . . . . ?
Dy2 O23 C106 C107 73.7(14) . . . . ?
Dy2 O23 C106 C111 -103.2(13) . . . . ?
Dy2 N11 N12 C83 -25(2) . . . . ?
Dy2 N11 N12A C83 9(2) . . . . ?
Dy2 N11 C82 C81 -16(2) . . . . ?
Dy2 N13 N14 C98 0.8(14) . . . . ?
Dy2 N13 C97 C96 -11(2) . . . . ?
Dy3 O8 C31 C32 69(2) . . . . ?
Dy3 O8 C31 C36 -106.5(15) . . . . ?
Dy3 O11 C46 C47 -131.9(11) . . . . ?
Dy3 O11 C46 C51 49.8(19) . . . . ?
Dy3 O12 C53 N8 8(2) . . . . ?
Dy3 O12 C53 C54 -169.0(12) . . . . ?
Dy3 O14 C61 C62 -131.8(11) . . . . ?
Dy3 O14 C61 C66 49.8(17) . . . . ?
Dy3 O15 C68 N10 -4.4(19) . . . . ?
Dy3 O15 C68 C69 174.6(10) . . . . ?
Dy3 O17 C76 C77 74.0(14) . . . . ?
Dy3 O17 C76 C81 -104.8(13) . . . . ?
Dy3 N7 N8 C53 3.4(14) . . . . ?
Dy3 N7 C52 C51 -19(2) . . . . ?
Dy3 N9 N10 C68 2.3(14) . . . . ?
Dy3 N9 C67 C66 -9(2) . . . . ?
Dy4 O2 C1 C2 74.2(14) . . . . ?
Dy4 O2 C1 C6 -104.0(13) . . . . ?
Dy4 O5 C16 C17 -132.4(11) . . . . ?
Dy4 O5 C16 C21 49.3(16) . . . . ?
Dy4 O6 C23 N3 -5(2) . . . . ?
Dy4 O6 C23 C24 176.7(10) . . . . ?
Dy4 O8 C31 C32 -132.8(13) . . . . ?
Dy4 O8 C31 C36 51(2) . . . . ?
Dy4 O9 C38 N6 9.9(19) . . . . ?
Dy4 O9 C38 C39 -168.4(11) . . . . ?
Dy4 O11 C46 C47 65.6(18) . . . . ?
Dy4 O11 C46 C51 -112.7(13) . . . . ?
Dy4 N4 C22 C21 -14.8(19) . . . . ?
Dy4 N5 N6 C38 -0.1(15) . . . . ?
Dy4 N5 C37 C36 -15(2) . . . . ?
O2 C1 C2 C3 -175.2(13) . . . . ?
O2 C1 C6 C5 176.5(13) . . . . ?
O2 C1 C6 C7 0(2) . . . . ?
O3 C8 C9 O4 -175.4(16) . . . . ?
O3 C8 C9 C10 -53(2) . . . . ?
O4 C9 C10 C11 30(3) . . . . ?
O4 C9 C10 C15 -155.8(19) . . . . ?
O5 C16 C17 C18 -178.8(13) . . . . ?
O5 C16 C21 C20 178.5(12) . . . . ?
O5 C16 C21 C22 0(2) . . . . ?
O6 C23 C24 O7 176.5(14) . . . . ?
O6 C23 C24 C25 -64.5(19) . . . . ?
O7 C24 C25 C26 51(3) . . . . ?
O7 C24 C25 C30 -127.4(18) . . . . ?
O8 C31 C32 C33 -177.2(15) . . . . ?
O8 C31 C36 C35 177.4(16) . . . . ?
O8 C31 C36 C37 3(3) . . . . ?
O9 C38 C39 O10 173.1(14) . . . . ?
O9 C38 C39 C40 -67(2) . . . . ?
O10 C39 C40 C41 -163.1(18) . . . . ?
O10 C39 C40 C45 18(3) . . . . ?
O11 C46 C47 C48 179.0(14) . . . . ?
O11 C46 C51 C50 179.9(13) . . . . ?
O11 C46 C51 C52 4(2) . . . . ?
O12 C53 C54 O13 -178.1(14) . . . . ?
O12 C53 C54 C55 -56(3) . . . . ?
O13 C54 C55 C56 10(3) . . . . ?
O13 C54 C55 C60 -169(2) . . . . ?
O14 C61 C62 C63 -176.9(13) . . . . ?
O14 C61 C66 C65 176.1(13) . . . . ?
O14 C61 C66 C67 1(2) . . . . ?
O15 C68 C69 O16 -175.7(13) . . . . ?
O15 C68 C69 C70 -55.7(18) . . . . ?
O16 C69 C70 C71 47.2(18) . . . . ?
O16 C69 C70 C75 -134.0(14) . . . . ?
O17 C76 C77 C78 -175.7(13) . . . . ?
O17 C76 C81 C80 175.6(13) . . . . ?
O17 C76 C81 C82 -1(2) . . . . ?
O18 C83 C84 O19 173.0(13) . . . . ?
O18 C83 C84 C85 -70.3(18) . . . . ?
O19 C84 C85 C86 23(2) . . . . ?
O19 C84 C85 C90 -158.5(16) . . . . ?
O20 C91 C92 C93 -177.5(13) . . . . ?
O20 C91 C96 C95 175.7(12) . . . . ?
O20 C91 C96 C97 -2(2) . . . . ?
O21 C98 C99 O22 170.1(13) . . . . ?
O21 C98 C99 C100 -65.9(19) . . . . ?
O22 C99 C100 C101 -137.8(17) . . . . ?
O22 C99 C100 C105 45(2) . . . . ?
O23 C106 C107 C108 -177.3(13) . . . . ?
O23 C106 C111 C110 175.2(13) . . . . ?
O23 C106 C111 C112 -4(2) . . . . ?
O24 C113 C114 O25 139.3(13) . . . . ?
O24 C113 C114 C115 -94.5(16) . . . . ?
O25 C114 C115 C116 165.3(14) . . . . ?
O25 C114 C115 C120 -13.4(19) . . . . ?
N1 N2 C8 O3 -1(2) . . . . ?
N1 N2 C8 C9 177.9(13) . . . . ?
N2 N1 C7 C6 179.4(12) . . . . ?
N2 C8 C9 O4 6(2) . . . . ?
N2 C8 C9 C10 128.3(15) . . . . ?
N3 N4 C22 C21 178.3(11) . . . . ?
N3 C23 C24 O7 -2(2) . . . . ?
N3 C23 C24 C25 117.4(16) . . . . ?
N4 N3 C23 O6 2(2) . . . . ?
N4 N3 C23 C24 -179.8(12) . . . . ?
N5 N6 C38 O9 -6(2) . . . . ?
N5 N6 C38 C39 172.4(13) . . . . ?
N6 N5 C37 C36 176.9(14) . . . . ?
N6 C38 C39 O10 -5(2) . . . . ?
N6 C38 C39 C40 115.1(16) . . . . ?
N7 N8 C53 O12 -8(2) . . . . ?
N7 N8 C53 C54 169.8(14) . . . . ?
N8 N7 C52 C51 177.4(12) . . . . ?
N8 C53 C54 O13 4(2) . . . . ?
N8 C53 C54 C55 126.6(19) . . . . ?
N9 N10 C68 O15 1(2) . . . . ?
N9 N10 C68 C69 -178.2(12) . . . . ?
N10 N9 C67 C66 -178.9(13) . . . . ?
N10 C68 C69 O16 3.3(19) . . . . ?
N10 C68 C69 C70 123.4(13) . . . . ?
N11 N12 C83 O18 29(3) . . . . ?
N11 N12 C83 C84 -168.0(16) . . . . ?
N11 N12A C83 O18 -8(3) . . . . ?
N11 N12A C83 C84 173.9(15) . . . . ?
N12 N11 C82 C81 165.2(16) . . . . ?
N12 C83 C84 O19 11(2) . . . . ?
N12 C83 C84 C85 127.3(18) . . . . ?
N12A N11 C82 C81 -177.0(15) . . . . ?
N12A C83 C84 O19 -9(2) . . . . ?
N12A C83 C84 C85 108.0(18) . . . . ?
N13 N14 C98 O21 -0.2(19) . . . . ?
N13 N14 C98 C99 -179.2(12) . . . . ?
N14 N13 C97 C96 179.2(12) . . . . ?
N14 C98 C99 O22 -10.9(19) . . . . ?
N14 C98 C99 C100 113.1(15) . . . . ?
N15 N16 C113 O24 -2.5(18) . . . . ?
N15 N16 C113 C114 179.0(11) . . . . ?
N16 N15 C112 C111 -178.7(12) . . . . ?
N16 C113 C114 O25 -42.3(17) . . . . ?
N16 C113 C114 C115 84.0(15) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
C1 C6 C7 N1 -13(2) . . . . ?
C2 C1 C6 C5 -2(2) . . . . ?
C2 C1 C6 C7 -178.0(13) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C3 C4 C5 C6 -1(2) . . . . ?
C4 C5 C6 C1 1(2) . . . . ?
C4 C5 C6 C7 177.0(14) . . . . ?
C5 C6 C7 N1 170.3(13) . . . . ?
C6 C1 C2 C3 3(2) . . . . ?
C7 N1 N2 C8 172.2(12) . . . . ?
C8 C9 C10 C11 -91(3) . . . . ?
C8 C9 C10 C15 83(2) . . . . ?
C9 C10 C11 C12 174(2) . . . . ?
C9 C10 C15 C14 -177(2) . . . . ?
C10 C11 C12 C13 -6(5) . . . . ?
C11 C10 C15 C14 -3(4) . . . . ?
C11 C12 C13 C14 16(5) . . . . ?
C12 C13 C14 C15 -17(4) . . . . ?
C13 C14 C15 C10 12(4) . . . . ?
C15 C10 C11 C12 -1(4) . . . . ?
C16 C17 C18 C19 -1(2) . . . . ?
C16 C21 C22 N4 -13(2) . . . . ?
C17 C16 C21 C20 0.1(19) . . . . ?
C17 C16 C21 C22 -178.2(12) . . . . ?
C17 C18 C19 C20 2(2) . . . . ?
C18 C19 C20 C21 -3(2) . . . . ?
C19 C20 C21 C16 1(2) . . . . ?
C19 C20 C21 C22 179.8(13) . . . . ?
C20 C21 C22 N4 168.2(12) . . . . ?
C21 C16 C17 C18 0(2) . . . . ?
C23 N3 N4 Dy4 1.4(14) . . . . ?
C23 N3 N4 C22 170.5(12) . . . . ?
C23 C24 C25 C26 -69(2) . . . . ?
C23 C24 C25 C30 113(2) . . . . ?
C24 C25 C26 C27 175(2) . . . . ?
C24 C25 C30 C29 180(2) . . . . ?
C25 C26 C27 C28 9(4) . . . . ?
C26 C25 C30 C29 1(4) . . . . ?
C26 C27 C28 C29 -7(5) . . . . ?
C27 C28 C29 C30 2(5) . . . . ?
C28 C29 C30 C25 2(4) . . . . ?
C30 C25 C26 C27 -6(4) . . . . ?
C31 C32 C33 C34 0(3) . . . . ?
C31 C36 C37 N5 -16(3) . . . . ?
C32 C31 C36 C35 1(2) . . . . ?
C32 C31 C36 C37 -173.5(15) . . . . ?
C32 C33 C34 C35 2(3) . . . . ?
C33 C34 C35 C36 -2(3) . . . . ?
C34 C35 C36 C31 0(3) . . . . ?
C34 C35 C36 C37 175.1(19) . . . . ?
C35 C36 C37 N5 168.6(16) . . . . ?
C36 C31 C32 C33 -1(2) . . . . ?
C37 N5 N6 C38 169.2(13) . . . . ?
C38 C39 C40 C41 75(2) . . . . ?
C38 C39 C40 C45 -103.2(19) . . . . ?
C39 C40 C41 C42 178(2) . . . . ?
C39 C40 C45 C44 179.2(18) . . . . ?
C40 C41 C42 C43 5(4) . . . . ?
C41 C40 C45 C44 1(3) . . . . ?
C41 C42 C43 C44 -3(4) . . . . ?
C42 C43 C44 C45 0(4) . . . . ?
C43 C44 C45 C40 1(3) . . . . ?
C45 C40 C41 C42 -3(3) . . . . ?
C46 C47 C48 C49 2(2) . . . . ?
C46 C51 C52 N7 -15(2) . . . . ?
C47 C46 C51 C50 1(2) . . . . ?
C47 C46 C51 C52 -174.0(13) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C48 C49 C50 C51 0(3) . . . . ?
C49 C50 C51 C46 0(2) . . . . ?
C49 C50 C51 C52 175.3(15) . . . . ?
C50 C51 C52 N7 169.0(15) . . . . ?
C51 C46 C47 C48 -3(2) . . . . ?
C52 N7 N8 C53 168.9(13) . . . . ?
C53 C54 C55 C56 -109(3) . . . . ?
C53 C54 C55 C60 72(3) . . . . ?
C54 C55 C56 C57 180(3) . . . . ?
C54 C55 C60 C59 175(2) . . . . ?
C55 C56 C57 C58 7(5) . . . . ?
C56 C55 C60 C59 -5(4) . . . . ?
C56 C57 C58 C59 -9(5) . . . . ?
C57 C58 C59 C60 4(5) . . . . ?
C58 C59 C60 C55 3(5) . . . . ?
C60 C55 C56 C57 -1(5) . . . . ?
C61 C62 C63 C64 -1(2) . . . . ?
C61 C66 C67 N9 -17(2) . . . . ?
C62 C61 C66 C65 -2(2) . . . . ?
C62 C61 C66 C67 -177.5(13) . . . . ?
C62 C63 C64 C65 0(2) . . . . ?
C63 C64 C65 C66 -1(2) . . . . ?
C64 C65 C66 C61 2(2) . . . . ?
C64 C65 C66 C67 177.5(14) . . . . ?
C65 C66 C67 N9 167.6(14) . . . . ?
C66 C61 C62 C63 1(2) . . . . ?
C67 N9 N10 C68 174.0(12) . . . . ?
C68 C69 C70 C71 -73.5(16) . . . . ?
C68 C69 C70 C75 105.4(16) . . . . ?
C69 C70 C71 C72 179.4(14) . . . . ?
C69 C70 C75 C74 -179.1(13) . . . . ?
C70 C71 C72 C73 0(2) . . . . ?
C71 C70 C75 C74 0(2) . . . . ?
C71 C72 C73 C74 0(2) . . . . ?
C72 C73 C74 C75 0(2) . . . . ?
C73 C74 C75 C70 0(2) . . . . ?
C75 C70 C71 C72 1(2) . . . . ?
C76 C77 C78 C79 -1(2) . . . . ?
C76 C81 C82 N11 -11(2) . . . . ?
C77 C76 C81 C80 -3(2) . . . . ?
C77 C76 C81 C82 -179.9(14) . . . . ?
C77 C78 C79 C80 -1(2) . . . . ?
C78 C79 C80 C81 0(2) . . . . ?
C79 C80 C81 C76 2(2) . . . . ?
C79 C80 C81 C82 178.4(15) . . . . ?
C80 C81 C82 N11 172.7(14) . . . . ?
C81 C76 C77 C78 3(2) . . . . ?
C82 N11 N12 C83 153.7(17) . . . . ?
C82 N11 N12A C83 173.5(16) . . . . ?
C83 C84 C85 C86 -94.6(19) . . . . ?
C83 C84 C85 C90 84(2) . . . . ?
C84 C85 C86 C87 176.2(19) . . . . ?
C84 C85 C90 C89 -176.9(19) . . . . ?
C85 C86 C87 C88 -1(3) . . . . ?
C86 C85 C90 C89 1(3) . . . . ?
C86 C87 C88 C89 5(3) . . . . ?
C87 C88 C89 C90 -5(3) . . . . ?
C88 C89 C90 C85 2(3) . . . . ?
C90 C85 C86 C87 -2(3) . . . . ?
C91 C92 C93 C94 2(2) . . . . ?
C91 C96 C97 N13 -14(2) . . . . ?
C92 C91 C96 C95 2(2) . . . . ?
C92 C91 C96 C97 -175.8(13) . . . . ?
C92 C93 C94 C95 1(2) . . . . ?
C93 C94 C95 C96 -3(2) . . . . ?
C94 C95 C96 C91 1(2) . . . . ?
C94 C95 C96 C97 179.0(14) . . . . ?
C95 C96 C97 N13 168.4(13) . . . . ?
C96 C91 C92 C93 -3(2) . . . . ?
C97 N13 N14 C98 172.1(12) . . . . ?
C98 C99 C100 C101 100.2(19) . . . . ?
C98 C99 C100 C105 -77(2) . . . . ?
C99 C100 C101 C102 -177.1(16) . . . . ?
C99 C100 C105 C104 178.4(19) . . . . ?
C100 C101 C102 C103 1(3) . . . . ?
C101 C100 C105 C104 1(3) . . . . ?
C101 C102 C103 C104 -4(3) . . . . ?
C102 C103 C104 C105 6(3) . . . . ?
C103 C104 C105 C100 -4(3) . . . . ?
C105 C100 C101 C102 0(3) . . . . ?
C106 C107 C108 C109 1(2) . . . . ?
C106 C111 C112 N15 -14(2) . . . . ?
C107 C106 C111 C110 -2(2) . . . . ?
C107 C106 C111 C112 179.6(13) . . . . ?
C107 C108 C109 C110 1(3) . . . . ?
C108 C109 C110 C111 -3(3) . . . . ?
C109 C110 C111 C106 4(2) . . . . ?
C109 C110 C111 C112 -177.6(15) . . . . ?
C110 C111 C112 N15 167.3(14) . . . . ?
C111 C106 C107 C108 0(2) . . . . ?
C112 N15 N16 C113 171.9(12) . . . . ?
C113 C114 C115 C116 38(2) . . . . ?
C113 C114 C115 C120 -140.2(14) . . . . ?
C114 C115 C116 C117 -178.8(15) . . . . ?
C114 C115 C120 C119 -180.0(15) . . . . ?
C115 C116 C117 C118 0(3) . . . . ?
C116 C115 C120 C119 1(2) . . . . ?
C116 C117 C118 C119 -1(3) . . . . ?
C117 C118 C119 C120 2(3) . . . . ?
C118 C119 C120 C115 -2(3) . . . . ?
C120 C115 C116 C117 0(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.468
_oxdiff_exptl_absorpt_empirical_full_min 0.800
