# 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. 
# 
#######################################################################

data_Dy6-NO3
_database_code_depnum_ccdc_archive 'CCDC 1937073'
loop_
_audit_author_name
_audit_author_address
'Jingjing Lu'
;CIAC
China
;
_audit_update_record             
;
2019-06-28 deposited with the CCDC.	2019-08-27 downloaded from the CCDC.
;
_audit_creation_date             2019-05-31
_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         'C78 H80 Dy6 N28 O42'
_chemical_formula_sum            'C78 H80 Dy6 N28 O42'
_chemical_formula_weight         3056.70
_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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'

_cell_length_a                   55.955(4)
_cell_length_b                   55.955(4)
_cell_length_c                   20.8428(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     56515(9)
_cell_formula_units_Z            18
_cell_measurement_reflns_used    9754
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.89
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.607
_exptl_absorpt_correction_T_max  0.436
_exptl_absorpt_correction_T_min  0.365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needlelike
_exptl_crystal_F_000             26568
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2081
_diffrn_reflns_av_unetI/netI     0.0940
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       69
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       57
_diffrn_reflns_limit_k_min       -69
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            116093
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.262
_diffrn_reflns_theta_min         0.728
_diffrn_ambient_temperature      153(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6965
_reflns_number_total             12660
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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         1.966
_refine_diff_density_min         -2.055
_refine_diff_density_rms         0.232
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         12660
_refine_ls_number_restraints     207
_refine_ls_R_factor_all          0.1673
_refine_ls_R_factor_gt           0.0867
_refine_ls_restrained_S_all      1.052
_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)+(0.0758P)²+5837.3667P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1954
_refine_ls_wR_factor_ref         0.2656
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 N10-O12
 1.24 with sigma of 0.01
 N14-O21
 1.25 with sigma of 0.02
 N14-O19
 1.25 with sigma of 0.02
 N14-O20
 1.25 with sigma of 0.02
 N12-O17
 1.24 with sigma of 0.04
 N12-O16
 1.24 with sigma of 0.04
 N12-O15
 1.24 with sigma of 0.04
 O16-O17
 2.16 with sigma of 0.04
 O16-O15
 2.16 with sigma of 0.04
 O17-O15
 2.16 with sigma of 0.04
 O19-O19_$1
 2.2 with sigma of 0.04
 N13-C38 \\sim N13-C39
 with sigma of 0.02
 N14-O19 \\sim N14-O20 \\sim N14-O21
 with sigma of 0.02
 O19-O20 \\sim O20-O21 \\sim O21-O19
 with sigma of 0.04
3. Restrained planarity
 C37, O18, N13, C38, C39
 with sigma of 0.1
 N14, O19, O20, O21
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C37 \\sim O18 \\sim N13 \\sim C38 \\sim C39: within 2A with sigma of 0.04 and
sigma for terminal atoms of 0.08
N14 \\sim O19 \\sim O20 \\sim O21: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(O16) \\sim Ueq, Uanis(O17) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O12) \\sim Ueq, Uanis(N10) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(O11)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N13) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C37)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O19) \\sim Ueq, Uanis(N14) \\sim Ueq, Uanis(O21) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O20) \\sim Ueq, Uanis(O20) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
5. Rigid body (RIGU) restrains
 N12, O17, O16, O15
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, O18, N13, C38, C39
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N14, O19, O20, O21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Riding coordinates:
 C36(H36A,H36B,H36C)
6.b Rotating group:
 O13(H13A,H13B)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C9(H9), C12(H12), C16(H16), C17(H17), C18(H18),
 C19(H19), C23(H23), C27(H27), C28(H28), C29(H29), C32(H32), C34(H34), C35(H35),
  C37(H37)
6.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,
 H33C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C)
;
_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
C1 C 0.2277(3) 0.9199(3) 0.5605(9) 0.046(4) Uani 1 1 d . . . . .
C2 C 0.2096(4) 0.9304(4) 0.5358(8) 0.048(4) Uani 1 1 d . . . . .
C3 C 0.1199(4) 0.8636(4) 0.7203(9) 0.054(5) Uani 1 1 d . . . . .
H3 H 0.117546 0.855563 0.760546 0.064 Uiso 1 1 calc R . . . .
C4 C 0.1077(4) 0.8782(4) 0.7053(8) 0.055(5) Uani 1 1 d . . . . .
H4 H 0.095072 0.878904 0.733091 0.065 Uiso 1 1 calc R . . . .
C5 C 0.1362(3) 0.8609(3) 0.6744(8) 0.043(4) Uani 1 1 d . . . . .
C6 C 0.1049(4) 0.9119(4) 0.6257(9) 0.051(4) Uani 1 1 d . . . . .
C7 C 0.2559(3) 0.9358(4) 0.5713(10) 0.061(5) Uani 1 1 d . . . . .
H7 H 0.265497 0.954603 0.562535 0.073 Uiso 1 1 calc R . . . .
C8 C 0.1142(4) 0.8923(4) 0.6473(8) 0.049(4) Uani 1 1 d . . . . .
C9 C 0.1385(4) 0.8309(4) 0.3868(9) 0.055(5) Uani 1 1 d . . . . .
H9 H 0.138108 0.819802 0.353160 0.066 Uiso 1 1 calc R . . . .
C10 C 0.1524(3) 0.8471(3) 0.6835(9) 0.045(4) Uani 1 1 d . . . . .
C11 C 0.0683(4) 0.9779(4) 0.6088(10) 0.057(5) Uani 1 1 d . . . . .
C12 C 0.0833(4) 0.8614(4) 0.3650(10) 0.059(5) Uani 1 1 d . . . . .
H12 H 0.070270 0.866946 0.361443 0.070 Uiso 1 1 calc R . . . .
C13 C 0.1028(3) 0.8712(4) 0.4133(9) 0.054(5) Uani 1 1 d . . . . .
C14 C 0.1219(3) 0.8633(4) 0.4195(9) 0.051(5) Uani 1 1 d . . . . .
C15 C 0.1220(4) 0.8437(4) 0.3807(9) 0.056(5) Uani 1 1 d . . . . .
C16 C 0.1025(4) 0.8334(4) 0.3311(10) 0.063(5) Uani 1 1 d . . . . .
H16 H 0.101870 0.819900 0.303827 0.076 Uiso 1 1 calc R . . . .
C17 C 0.0630(4) 0.9360(4) 0.6655(8) 0.057(5) Uani 1 1 d . . . . .
H17 H 0.053373 0.922707 0.696750 0.069 Uiso 1 1 calc R . . . .
C18 C 0.0329(5) 0.9540(6) 0.6877(11) 0.080(7) Uani 1 1 d . . . . .
H18 H 0.023808 0.939383 0.716073 0.096 Uiso 1 1 calc R . . . .
C19 C 0.0840(4) 0.8429(5) 0.3219(10) 0.069(6) Uani 1 1 d . . . . .
H19 H 0.072181 0.836853 0.286836 0.083 Uiso 1 1 calc R . . . .
C20 C 0.0548(4) 0.9558(4) 0.6528(9) 0.056(5) Uani 1 1 d . . . . .
C21 C 0.1656(4) 0.9858(4) 0.4577(9) 0.049(4) Uani 1 1 d . . . . .
C22 C 0.0756(3) 0.8765(4) 0.4942(11) 0.072(7) Uani 1 1 d . . . . .
H22A H 0.060670 0.872869 0.465895 0.107 Uiso 1 1 calc GR . . . .
H22B H 0.076452 0.888436 0.528235 0.107 Uiso 1 1 calc GR . . . .
H22C H 0.072775 0.859427 0.512003 0.107 Uiso 1 1 calc GR . . . .
C23 C 0.0356(4) 0.9921(5) 0.6388(10) 0.066(6) Uani 1 1 d . . . . .
H23 H 0.028410 1.003752 0.632564 0.079 Uiso 1 1 calc R . . . .
C24 C 0.1933(4) 0.9954(4) 0.4425(11) 0.067(6) Uani 1 1 d . . . . .
C25 C 0.1539(4) 1.0012(4) 0.4340(9) 0.063(5) Uani 1 1 d . . . . .
C26 C 0.0573(4) 0.9959(4) 0.6030(11) 0.069(6) Uani 1 1 d . . . . .
C27 C 0.2086(4) 0.9835(4) 0.4673(10) 0.061(5) Uani 1 1 d . . . . .
H27 H 0.227716 0.994262 0.465194 0.073 Uiso 1 1 calc R . . . .
C28 C 0.0241(5) 0.9722(6) 0.6829(12) 0.101(9) Uani 1 1 d . . . . .
H28 H 0.010278 0.970953 0.709706 0.121 Uiso 1 1 calc R . . . .
C29 C 0.2071(5) 1.0190(4) 0.4027(12) 0.079(7) Uani 1 1 d . . . . .
H29 H 0.225372 1.025122 0.392015 0.095 Uiso 1 1 calc R . . . .
C30 C 0.0628(5) 1.0361(5) 0.5502(14) 0.099(9) Uani 1 1 d . . . . .
H30A H 0.045873 1.027776 0.526137 0.149 Uiso 1 1 calc GR . . . .
H30B H 0.076621 1.051849 0.527176 0.149 Uiso 1 1 calc GR . . . .
H30C H 0.059757 1.041949 0.591240 0.149 Uiso 1 1 calc GR . . . .
C31 C 0.1144(5) 1.0070(5) 0.4323(13) 0.090(8) Uani 1 1 d . . . . .
H31A H 0.126418 1.026337 0.439726 0.134 Uiso 1 1 calc GR . . . .
H31B H 0.097441 1.000816 0.455252 0.134 Uiso 1 1 calc GR . . . .
H31C H 0.110593 1.003774 0.387224 0.134 Uiso 1 1 calc GR . . . .
C32 C 0.0632(6) 0.9273(5) 0.4395(12) 0.078(7) Uani 1 1 d . . . . .
H32 H 0.045268 0.921123 0.453732 0.094 Uiso 1 1 calc R . . . .
C33 C 0.0947(6) 0.9335(6) 0.3511(12) 0.105(9) Uani 1 1 d . . . . .
H33A H 0.101864 0.950502 0.327600 0.158 Uiso 1 1 calc GR . . . .
H33B H 0.093268 0.919246 0.323119 0.158 Uiso 1 1 calc GR . . . .
H33C H 0.106787 0.935878 0.386101 0.158 Uiso 1 1 calc GR . . . .
C34 C 0.1678(5) 1.0241(4) 0.3955(9) 0.062(5) Uani 1 1 d . . . . .
H34 H 0.159221 1.033501 0.380230 0.074 Uiso 1 1 calc R . . . .
C35 C 0.1953(4) 1.0327(4) 0.3800(9) 0.059(5) Uani 1 1 d . . . . .
H35 H 0.205284 1.048077 0.353951 0.071 Uiso 1 1 calc R . . . .
C36 C 0.0455(6) 0.9169(7) 0.3294(12) 0.116(11) Uani 1 1 d . . . . .
H36A H 0.050200 0.931446 0.298861 0.173 Uiso 1 1 d R . . . .
H36B H 0.043590 0.900896 0.307851 0.173 Uiso 1 1 d R . . . .
H36C H 0.028330 0.912416 0.349841 0.173 Uiso 1 1 d R . . . .
Dy3 Dy 0.16533(2) 0.86384(2) 0.52930(4) 0.0442(2) Uani 1 1 d . . . . .
Dy2 Dy 0.15000(2) 0.92282(2) 0.51025(4) 0.0477(2) Uani 1 1 d . . . . .
Dy1 Dy 0.11408(2) 0.96402(2) 0.55063(5) 0.0595(3) Uani 1 1 d . . . . .
N1 N 0.2138(3) 0.8926(3) 0.5719(6) 0.042(3) Uani 1 1 d . . . . .
N2 N 0.1413(3) 0.8741(3) 0.6193(7) 0.051(4) Uani 1 1 d . . . . .
N3 N 0.1541(3) 0.8337(3) 0.4359(7) 0.051(4) Uani 1 1 d . . . . .
N4 N 0.1665(3) 0.8165(3) 0.4307(7) 0.052(4) Uani 1 1 d . . . . .
N5 N 0.0882(3) 0.9143(3) 0.6614(7) 0.053(4) Uani 1 1 d . . . . .
N6 N 0.0833(4) 0.9352(3) 0.6357(8) 0.063(4) Uani 1 1 d . . . . .
N7 N 0.1990(3) 0.9598(3) 0.4918(7) 0.048(3) Uani 1 1 d . . . . .
N8 N 0.1302(3) 0.8894(3) 0.6054(7) 0.050(4) Uani 1 1 d . . . . .
N9 N 0.2205(3) 0.9550(3) 0.5142(9) 0.069(5) Uani 1 1 d . . . . .
N10 N 0.1565(5) 1.0046(5) 0.6300(12) 0.109(7) Uani 1 1 d D U . . .
N11 N 0.0669(4) 0.9257(4) 0.3765(10) 0.084(6) Uani 1 1 d . . . . .
O1 O 0.1830(2) 0.9117(2) 0.5354(5) 0.044(3) Uani 1 1 d . . . . .
O2 O 0.1679(2) 0.8489(2) 0.6350(5) 0.048(3) Uani 1 1 d . . . . .
O3 O 0.1166(3) 0.9254(2) 0.5730(6) 0.053(3) Uani 1 1 d . . . . .
O4 O 0.1501(3) 0.9639(2) 0.4943(6) 0.055(3) Uani 1 1 d . . . . .
O5 O 0.0719(3) 1.0164(3) 0.5591(7) 0.071(4) Uani 1 1 d . . . . .
O6 O 0.1273(3) 0.9923(3) 0.4539(6) 0.065(4) Uani 1 1 d . . . . .
O7 O 0.1407(2) 0.8769(2) 0.4696(5) 0.048(3) Uani 1 1 d . . . . .
O8 O 0.1015(3) 0.8897(3) 0.4586(6) 0.054(3) Uani 1 1 d . . . . .
O9 O 0.0887(3) 0.9812(3) 0.5757(7) 0.075(4) Uani 1 1 d . . . . .
O10 O 0.1516(3) 1.0107(3) 0.5789(7) 0.075(4) Uani 1 1 d . U . . .
O11 O 0.1417(4) 0.9775(4) 0.6467(9) 0.104(6) Uani 1 1 d . U . . .
O12 O 0.1745(5) 1.0197(6) 0.6689(13) 0.165(10) Uani 1 1 d D U . . .
O13 O 0.1715(3) 0.9460(3) 0.6124(6) 0.062(3) Uani 1 1 d . . . . .
H13A H 0.181709 0.939728 0.626815 0.093 Uiso 1 1 d GR . . . .
H13B H 0.159068 0.941547 0.641226 0.093 Uiso 1 1 d GR . . . .
O14 O 0.0824(3) 0.9368(3) 0.4814(7) 0.072(4) Uani 1 1 d . . . . .
O15 O 0.1989(3) 0.8858(3) 0.4424(8) 0.088(4) Uani 1 1 d D U . . .
N12 N 0.2205(7) 0.8888(8) 0.4222(14) 0.166(11) Uani 1 1 d D U . . .
O16 O 0.2349(6) 0.8794(6) 0.4507(13) 0.178(9) Uani 1 1 d D U . . .
O17 O 0.2293(6) 0.9000(6) 0.3650(12) 0.172(8) Uani 1 1 d D U . . .
C37 C 0.1742(7) 0.9295(7) 0.3660(17) 0.139(7) Uani 1 1 d . U . . .
H37 H 0.183825 0.920457 0.376146 0.166 Uiso 1 1 calc R . . . .
O18 O 0.1537(4) 0.9279(3) 0.3994(7) 0.080(4) Uani 1 1 d . U . . .
N13 N 0.1792(5) 0.9454(6) 0.3169(14) 0.143(6) Uani 1 1 d D U . . .
C38 C 0.1993(8) 0.9575(8) 0.2604(17) 0.168(9) Uani 1 1 d D U . . .
H38A H 0.210293 0.977191 0.265462 0.252 Uiso 1 1 calc GR . . . .
H38B H 0.189052 0.953401 0.221095 0.252 Uiso 1 1 calc GR . . . .
H38C H 0.211090 0.949674 0.259369 0.252 Uiso 1 1 calc GR . . . .
C39 C 0.1647(8) 0.9612(8) 0.2956(19) 0.163(9) Uani 1 1 d D U . . .
H39A H 0.149021 0.956238 0.322769 0.244 Uiso 1 1 calc GR . . . .
H39B H 0.158595 0.956501 0.251958 0.244 Uiso 1 1 calc GR . . . .
H39C H 0.177269 0.980670 0.298721 0.244 Uiso 1 1 calc GR . . . .
N14 N 0.0998(4) 0.8016(5) 0.5745(11) 0.212(7) Uani 1 1 d D U . . .
O19 O 0.0922(6) 0.7769(5) 0.5491(13) 0.252(9) Uani 1 1 d D U . . .
O20 O 0.1205(4) 0.8237(4) 0.5476(9) 0.116(5) Uani 1 1 d D U . . .
O21 O 0.0851(6) 0.8004(7) 0.6262(14) 0.224(9) Uani 1 1 d D 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
C1 C2 1.50(2) . ?
C1 C7 1.39(2) . ?
C1 N1 1.34(2) . ?
C2 N9 1.28(2) . ?
C2 O1 1.32(2) . ?
C3 C4 1.34(3) . ?
C3 C5 1.38(2) . ?
C4 C8 1.39(2) . ?
C5 C10 1.47(2) . ?
C5 N2 1.32(2) . ?
C6 C8 1.50(2) . ?
C6 N5 1.26(2) . ?
C6 O3 1.31(2) . ?
C7 C7 1.37(4) 16_455 ?
C8 N8 1.32(2) . ?
C9 C15 1.43(3) . ?
C9 N3 1.30(2) . ?
C10 N4 1.31(2) 16_455 ?
C10 O2 1.30(2) . ?
C11 C20 1.42(3) . ?
C11 C26 1.43(3) . ?
C11 O9 1.27(2) . ?
C12 C13 1.38(2) . ?
C12 C19 1.38(3) . ?
C13 C14 1.35(2) . ?
C13 O8 1.43(2) . ?
C14 C15 1.37(3) . ?
C14 O7 1.40(2) . ?
C15 C16 1.40(3) . ?
C16 C19 1.39(3) . ?
C17 C20 1.42(3) . ?
C17 N6 1.31(2) . ?
C18 C20 1.39(3) . ?
C18 C28 1.33(3) . ?
C21 C24 1.40(3) . ?
C21 C25 1.40(3) . ?
C21 O4 1.33(2) . ?
C22 O8 1.46(2) . ?
C23 C26 1.35(3) . ?
C23 C28 1.34(3) . ?
C24 C27 1.42(3) . ?
C24 C29 1.42(3) . ?
C25 C34 1.38(3) . ?
C25 O6 1.38(2) . ?
C26 O5 1.37(2) . ?
C27 N7 1.26(2) . ?
C29 C35 1.33(3) . ?
C30 O5 1.44(3) . ?
C31 O6 1.41(2) . ?
C32 N11 1.34(3) . ?
C32 O14 1.28(3) . ?
C33 N11 1.49(3) . ?
C34 C35 1.40(3) . ?
C36 N11 1.43(3) . ?
Dy3 Dy3 3.8210(16) 16_455 ?
Dy3 Dy2 3.8229(12) . ?
Dy3 N1 2.523(13) . ?
Dy3 N2 2.535(14) . ?
Dy3 N3 2.445(14) . ?
Dy3 O1 2.350(11) . ?
Dy3 O2 2.269(11) 16_455 ?
Dy3 O2 2.384(11) . ?
Dy3 O7 2.233(12) . ?
Dy3 O15 2.453(18) . ?
Dy3 O20 2.42(2) . ?
Dy2 Dy1 3.8337(13) . ?
Dy2 N7 2.504(15) . ?
Dy2 N8 2.566(13) . ?
Dy2 O1 2.284(11) . ?
Dy2 O3 2.343(11) . ?
Dy2 O4 2.320(12) . ?
Dy2 O7 2.502(11) . ?
Dy2 O8 2.633(13) . ?
Dy2 O13 2.470(13) . ?
Dy2 O18 2.325(15) . ?
Dy1 N6 2.436(16) . ?
Dy1 N10 2.85(2) . ?
Dy1 O3 2.284(12) . ?
Dy1 O4 2.336(12) . ?
Dy1 O6 2.438(12) . ?
Dy1 O9 2.139(14) . ?
Dy1 O10 2.468(15) . ?
Dy1 O11 2.409(19) . ?
Dy1 O14 2.202(17) . ?
N1 N1 1.27(3) 16_455 ?
N2 N8 1.317(19) . ?
N3 N4 1.44(2) . ?
N5 N6 1.44(2) . ?
N7 N9 1.44(2) . ?
N10 O10 1.19(3) . ?
N10 O11 1.36(3) . ?
N10 O12 1.239(10) . ?
O15 N12 1.21(3) . ?
N12 O16 1.30(3) . ?
N12 O17 1.32(3) . ?
C37 O18 1.30(4) . ?
C37 N13 1.29(4) . ?
N13 C38 1.53(3) . ?
N13 C39 1.54(3) . ?
N14 O19 1.337(14) . ?
N14 O20 1.326(14) . ?
N14 O21 1.336(14) . ?

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
C7 C1 C2 125.5(15) . . ?
N1 C1 C2 112.6(14) . . ?
N1 C1 C7 121.9(16) . . ?
N9 C2 C1 119.6(17) . . ?
N9 C2 O1 126.3(16) . . ?
O1 C2 C1 114.0(13) . . ?
C4 C3 C5 118.1(17) . . ?
C3 C4 C8 118.7(17) . . ?
C3 C5 C10 125.7(17) . . ?
N2 C5 C3 120.8(16) . . ?
N2 C5 C10 112.9(15) . . ?
N5 C6 C8 116.8(17) . . ?
N5 C6 O3 128.3(17) . . ?
O3 C6 C8 114.8(15) . . ?
C7 C7 C1 117.3(10) 16_455 . ?
C4 C8 C6 126.0(17) . . ?
N8 C8 C4 120.6(17) . . ?
N8 C8 C6 113.3(15) . . ?
N3 C9 C15 125.0(18) . . ?
N4 C10 C5 120.5(16) 16_455 . ?
O2 C10 C5 114.8(15) . . ?
O2 C10 N4 124.6(16) . 16_455 ?
C20 C11 C26 116.2(18) . . ?
O9 C11 C20 121.9(17) . . ?
O9 C11 C26 121.9(19) . . ?
C13 C12 C19 117.4(19) . . ?
C12 C13 O8 117.0(17) . . ?
C14 C13 C12 122(2) . . ?
C14 C13 O8 120.6(17) . . ?
C13 C14 C15 121.8(18) . . ?
C13 C14 O7 113.3(17) . . ?
C15 C14 O7 124.9(15) . . ?
C14 C15 C9 127.8(17) . . ?
C14 C15 C16 117.0(17) . . ?
C16 C15 C9 115.1(17) . . ?
C19 C16 C15 121.1(19) . . ?
N6 C17 C20 123.8(19) . . ?
C28 C18 C20 124(2) . . ?
C12 C19 C16 120(2) . . ?
C11 C20 C17 124.4(18) . . ?
C18 C20 C11 118(2) . . ?
C18 C20 C17 118(2) . . ?
C24 C21 C25 116.8(18) . . ?
O4 C21 C24 124.8(16) . . ?
O4 C21 C25 118.4(17) . . ?
C28 C23 C26 122(2) . . ?
C21 C24 C27 123.4(17) . . ?
C21 C24 C29 118.2(19) . . ?
C29 C24 C27 118.3(19) . . ?
C34 C25 C21 123.8(19) . . ?
C34 C25 O6 121.1(19) . . ?
O6 C25 C21 115.1(17) . . ?
C23 C26 C11 121(2) . . ?
C23 C26 O5 127.9(19) . . ?
O5 C26 C11 111.1(18) . . ?
N7 C27 C24 126.7(18) . . ?
C18 C28 C23 119(2) . . ?
C35 C29 C24 124(2) . . ?
O14 C32 N11 125(2) . . ?
C25 C34 C35 117.8(19) . . ?
C29 C35 C34 119.7(18) . . ?
Dy3 Dy3 Dy2 145.29(3) 16_455 . ?
N1 Dy3 Dy3 59.1(3) . 16_455 ?
N1 Dy3 Dy2 96.8(3) . . ?
N1 Dy3 N2 96.7(5) . . ?
N2 Dy3 Dy3 95.3(4) . 16_455 ?
N2 Dy3 Dy2 60.5(3) . . ?
N3 Dy3 Dy3 99.5(4) . 16_455 ?
N3 Dy3 Dy2 115.0(4) . . ?
N3 Dy3 N1 122.9(5) . . ?
N3 Dy3 N2 139.8(5) . . ?
N3 Dy3 O15 68.0(5) . . ?
O1 Dy3 Dy3 118.1(3) . 16_455 ?
O1 Dy3 Dy2 33.9(3) . . ?
O1 Dy3 N1 63.1(4) . . ?
O1 Dy3 N2 70.8(4) . . ?
O1 Dy3 N3 130.3(4) . . ?
O1 Dy3 O2 106.5(4) . . ?
O1 Dy3 O15 71.9(4) . . ?
O1 Dy3 O20 134.4(5) . . ?
O2 Dy3 Dy3 35.8(3) 16_455 16_455 ?
O2 Dy3 Dy3 33.8(3) . 16_455 ?
O2 Dy3 Dy2 118.4(3) . . ?
O2 Dy3 Dy2 169.0(3) 16_455 . ?
O2 Dy3 N1 75.5(4) 16_455 . ?
O2 Dy3 N1 70.4(4) . . ?
O2 Dy3 N2 127.4(5) 16_455 . ?
O2 Dy3 N2 61.7(4) . . ?
O2 Dy3 N3 122.2(5) . . ?
O2 Dy3 N3 64.7(4) 16_455 . ?
O2 Dy3 O1 137.2(4) 16_455 . ?
O2 Dy3 O2 66.9(5) 16_455 . ?
O2 Dy3 O15 83.4(5) 16_455 . ?
O2 Dy3 O15 133.8(5) . . ?
O2 Dy3 O20 86.5(6) 16_455 . ?
O2 Dy3 O20 75.2(5) . . ?
O7 Dy3 Dy3 171.5(3) . 16_455 ?
O7 Dy3 Dy2 38.6(3) . . ?
O7 Dy3 N1 129.0(4) . . ?
O7 Dy3 N2 81.7(5) . . ?
O7 Dy3 N3 78.2(5) . . ?
O7 Dy3 O1 68.5(4) . . ?
O7 Dy3 O2 141.6(4) . . ?
O7 Dy3 O2 142.9(4) . 16_455 ?
O7 Dy3 O15 82.4(5) . . ?
O7 Dy3 O20 82.4(6) . . ?
O15 Dy3 Dy3 104.4(4) . 16_455 ?
O15 Dy3 Dy2 86.4(4) . . ?
O15 Dy3 N1 68.3(5) . . ?
O15 Dy3 N2 142.5(5) . . ?
O20 Dy3 Dy3 89.0(5) . 16_455 ?
O20 Dy3 Dy2 104.0(5) . . ?
O20 Dy3 N1 145.3(5) . . ?
O20 Dy3 N2 70.9(6) . . ?
O20 Dy3 N3 72.3(6) . . ?
O20 Dy3 O15 139.6(6) . . ?
Dy3 Dy2 Dy1 155.19(3) . . ?
N7 Dy2 Dy3 96.0(3) . . ?
N7 Dy2 Dy1 102.9(3) . . ?
N7 Dy2 N8 128.0(5) . . ?
N7 Dy2 O8 146.7(4) . . ?
N8 Dy2 Dy3 59.5(3) . . ?
N8 Dy2 Dy1 95.9(3) . . ?
N8 Dy2 O8 83.5(4) . . ?
O1 Dy2 Dy3 35.0(3) . . ?
O1 Dy2 Dy1 148.4(3) . . ?
O1 Dy2 N7 63.9(4) . . ?
O1 Dy2 N8 74.8(4) . . ?
O1 Dy2 O3 131.8(4) . . ?
O1 Dy2 O4 134.5(4) . . ?
O1 Dy2 O7 65.1(4) . . ?
O1 Dy2 O8 126.3(4) . . ?
O1 Dy2 O13 72.3(4) . . ?
O1 Dy2 O18 103.0(5) . . ?
O3 Dy2 Dy3 121.7(3) . . ?
O3 Dy2 Dy1 33.6(3) . . ?
O3 Dy2 N7 127.7(4) . . ?
O3 Dy2 N8 63.0(4) . . ?
O3 Dy2 O7 119.4(4) . . ?
O3 Dy2 O8 72.5(4) . . ?
O3 Dy2 O13 71.4(4) . . ?
O4 Dy2 Dy3 168.5(3) . . ?
O4 Dy2 Dy1 34.7(3) . . ?
O4 Dy2 N7 72.5(4) . . ?
O4 Dy2 N8 128.3(4) . . ?
O4 Dy2 O3 68.0(4) . . ?
O4 Dy2 O7 150.0(4) . . ?
O4 Dy2 O8 97.4(4) . . ?
O4 Dy2 O13 81.1(4) . . ?
O4 Dy2 O18 77.3(5) . . ?
O7 Dy2 Dy3 33.8(3) . . ?
O7 Dy2 Dy1 142.2(3) . . ?
O7 Dy2 N7 112.1(4) . . ?
O7 Dy2 N8 73.8(4) . . ?
O7 Dy2 O8 61.8(4) . . ?
O8 Dy2 Dy3 91.9(3) . . ?
O8 Dy2 Dy1 81.1(3) . . ?
O13 Dy2 Dy3 95.9(3) . . ?
O13 Dy2 Dy1 76.1(3) . . ?
O13 Dy2 N7 69.7(5) . . ?
O13 Dy2 N8 68.6(5) . . ?
O13 Dy2 O7 128.8(4) . . ?
O13 Dy2 O8 141.5(4) . . ?
O18 Dy2 Dy3 99.4(4) . . ?
O18 Dy2 Dy1 100.8(4) . . ?
O18 Dy2 N7 75.7(5) . . ?
O18 Dy2 N8 146.8(5) . . ?
O18 Dy2 O3 125.0(5) . . ?
O18 Dy2 O7 75.4(4) . . ?
O18 Dy2 O8 71.2(5) . . ?
O18 Dy2 O13 143.3(5) . . ?
N6 Dy1 Dy2 100.0(4) . . ?
N6 Dy1 N10 97.8(7) . . ?
N6 Dy1 O6 156.3(5) . . ?
N6 Dy1 O10 118.2(5) . . ?
N10 Dy1 Dy2 97.4(5) . . ?
O3 Dy1 Dy2 34.5(3) . . ?
O3 Dy1 N6 65.4(5) . . ?
O3 Dy1 N10 102.4(6) . . ?
O3 Dy1 O4 68.8(4) . . ?
O3 Dy1 O6 129.8(4) . . ?
O3 Dy1 O10 122.0(5) . . ?
O3 Dy1 O11 78.0(6) . . ?
O4 Dy1 Dy2 34.4(3) . . ?
O4 Dy1 N6 133.7(5) . . ?
O4 Dy1 N10 85.4(6) . . ?
O4 Dy1 O6 66.7(4) . . ?
O4 Dy1 O10 81.1(5) . . ?
O4 Dy1 O11 90.0(6) . . ?
O6 Dy1 Dy2 97.4(3) . . ?
O6 Dy1 N10 95.9(6) . . ?
O6 Dy1 O10 71.9(5) . . ?
O9 Dy1 Dy2 171.6(4) . . ?
O9 Dy1 N6 73.2(5) . . ?
O9 Dy1 N10 88.5(7) . . ?
O9 Dy1 O3 138.2(4) . . ?
O9 Dy1 O4 153.0(5) . . ?
O9 Dy1 O6 88.0(5) . . ?
O9 Dy1 O10 82.5(5) . . ?
O9 Dy1 O11 97.0(6) . . ?
O9 Dy1 O14 89.2(6) . . ?
O10 Dy1 Dy2 105.4(3) . . ?
O10 Dy1 N10 24.6(5) . . ?
O11 Dy1 Dy2 85.6(5) . . ?
O11 Dy1 N6 74.5(6) . . ?
O11 Dy1 N10 28.5(6) . . ?
O11 Dy1 O6 123.1(6) . . ?
O11 Dy1 O10 53.0(6) . . ?
O14 Dy1 Dy2 85.6(4) . . ?
O14 Dy1 N6 87.7(6) . . ?
O14 Dy1 N10 173.1(7) . . ?
O14 Dy1 O3 83.6(5) . . ?
O14 Dy1 O4 93.8(5) . . ?
O14 Dy1 O6 77.6(5) . . ?
O14 Dy1 O10 148.6(5) . . ?
O14 Dy1 O11 158.4(6) . . ?
C1 N1 Dy3 119.4(11) . . ?
N1 N1 C1 120.8(9) 16_455 . ?
N1 N1 Dy3 118.8(4) 16_455 . ?
C5 N2 Dy3 120.6(11) . . ?
N8 N2 C5 121.0(14) . . ?
N8 N2 Dy3 117.4(11) . . ?
C9 N3 Dy3 129.1(13) . . ?
C9 N3 N4 112.3(15) . . ?
N4 N3 Dy3 118.5(10) . . ?
C10 N4 N3 108.8(14) 16_455 . ?
C6 N5 N6 108.9(15) . . ?
C17 N6 Dy1 131.4(14) . . ?
C17 N6 N5 111.7(16) . . ?
N5 N6 Dy1 116.8(11) . . ?
C27 N7 Dy2 130.2(13) . . ?
C27 N7 N9 111.8(15) . . ?
N9 N7 Dy2 118.0(10) . . ?
C8 N8 Dy2 119.7(11) . . ?
C8 N8 N2 120.3(14) . . ?
N2 N8 Dy2 118.1(10) . . ?
C2 N9 N7 108.9(14) . . ?
O10 N10 Dy1 59.4(13) . . ?
O10 N10 O11 117(2) . . ?
O10 N10 O12 128(3) . . ?
O11 N10 Dy1 57.4(12) . . ?
O12 N10 Dy1 173(2) . . ?
O12 N10 O11 115(3) . . ?
C32 N11 C33 120(2) . . ?
C32 N11 C36 124(2) . . ?
C36 N11 C33 115(2) . . ?
C2 O1 Dy3 124.6(10) . . ?
C2 O1 Dy2 121.9(10) . . ?
Dy2 O1 Dy3 111.2(4) . . ?
C10 O2 Dy3 122.7(10) . 16_455 ?
C10 O2 Dy3 126.3(11) . . ?
Dy3 O2 Dy3 110.4(5) 16_455 . ?
C6 O3 Dy2 128.1(11) . . ?
C6 O3 Dy1 118.0(10) . . ?
Dy1 O3 Dy2 111.9(5) . . ?
C21 O4 Dy2 132.2(11) . . ?
C21 O4 Dy1 116.9(11) . . ?
Dy2 O4 Dy1 110.9(4) . . ?
C26 O5 C30 115.9(17) . . ?
C25 O6 C31 118.0(15) . . ?
C25 O6 Dy1 113.9(11) . . ?
C31 O6 Dy1 124.3(12) . . ?
C14 O7 Dy3 130.9(10) . . ?
C14 O7 Dy2 121.5(10) . . ?
Dy3 O7 Dy2 107.6(4) . . ?
C13 O8 C22 111.5(13) . . ?
C13 O8 Dy2 111.7(10) . . ?
C22 O8 Dy2 124.2(11) . . ?
C11 O9 Dy1 145.0(13) . . ?
N10 O10 Dy1 96.1(15) . . ?
N10 O11 Dy1 94.1(15) . . ?
C32 O14 Dy1 162.7(14) . . ?
N12 O15 Dy3 142.1(19) . . ?
O15 N12 O16 124(3) . . ?
O15 N12 O17 119(3) . . ?
O16 N12 O17 117(3) . . ?
N13 C37 O18 111(4) . . ?
C37 O18 Dy2 124(2) . . ?
C37 N13 C38 141(4) . . ?
C37 N13 C39 129(3) . . ?
C38 N13 C39 90(3) . . ?
O20 N14 O19 118.4(19) . . ?
O20 N14 O21 128(2) . . ?
O21 N14 O19 113.4(18) . . ?
N14 O20 Dy3 162.0(15) . . ?

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
C1 C2 N9 N7 178.4(15) . . . . ?
C1 C2 O1 Dy3 -25.5(19) . . . . ?
C1 C2 O1 Dy2 173.4(10) . . . . ?
C2 C1 C7 C7 179(2) . . . 16_455 ?
C2 C1 N1 Dy3 13.1(19) . . . . ?
C2 C1 N1 N1 -178.1(18) . . . 16_455 ?
C3 C4 C8 C6 -173.3(17) . . . . ?
C3 C4 C8 N8 6(3) . . . . ?
C3 C5 C10 N4 8(3) . . . 16_455 ?
C3 C5 C10 O2 -174.9(16) . . . . ?
C3 C5 N2 Dy3 -171.2(12) . . . . ?
C3 C5 N2 N8 -3(3) . . . . ?
C4 C3 C5 C10 176.2(17) . . . . ?
C4 C3 C5 N2 5(3) . . . . ?
C4 C8 N8 Dy2 -167.4(13) . . . . ?
C4 C8 N8 N2 -3(3) . . . . ?
C5 C3 C4 C8 -7(3) . . . . ?
C5 C10 O2 Dy3 176.1(10) . . . 16_455 ?
C5 C10 O2 Dy3 -13.2(19) . . . . ?
C5 N2 N8 C8 2(2) . . . . ?
C5 N2 N8 Dy2 165.9(12) . . . . ?
C6 C8 N8 Dy2 12(2) . . . . ?
C6 C8 N8 N2 176.1(15) . . . . ?
C6 N5 N6 C17 170.8(17) . . . . ?
C6 N5 N6 Dy1 -11.9(18) . . . . ?
C7 C1 C2 N9 10(3) . . . . ?
C7 C1 C2 O1 -173.9(18) . . . . ?
C7 C1 N1 Dy3 -166.9(15) . . . . ?
C7 C1 N1 N1 2(3) . . . 16_455 ?
C8 C6 N5 N6 175.6(15) . . . . ?
C8 C6 O3 Dy2 0(2) . . . . ?
C8 C6 O3 Dy1 -162.7(11) . . . . ?
C9 C15 C16 C19 176.5(19) . . . . ?
C9 N3 N4 C10 -176.1(15) . . . 16_455 ?
C10 C5 N2 Dy3 16.8(19) . . . . ?
C10 C5 N2 N8 -174.7(15) . . . . ?
C11 C26 O5 C30 -179(2) . . . . ?
C12 C13 C14 C15 -4(3) . . . . ?
C12 C13 C14 O7 176.7(16) . . . . ?
C12 C13 O8 C22 63(2) . . . . ?
C12 C13 O8 Dy2 -153.7(13) . . . . ?
C13 C12 C19 C16 5(3) . . . . ?
C13 C14 C15 C9 -171.4(19) . . . . ?
C13 C14 C15 C16 4(3) . . . . ?
C13 C14 O7 Dy3 153.2(11) . . . . ?
C13 C14 O7 Dy2 -23.6(18) . . . . ?
C14 C13 O8 C22 -115.4(18) . . . . ?
C14 C13 O8 Dy2 28.3(18) . . . . ?
C14 C15 C16 C19 0(3) . . . . ?
C15 C9 N3 Dy3 -7(3) . . . . ?
C15 C9 N3 N4 175.2(17) . . . . ?
C15 C14 O7 Dy3 -26(2) . . . . ?
C15 C14 O7 Dy2 157.3(15) . . . . ?
C15 C16 C19 C12 -5(3) . . . . ?
C19 C12 C13 C14 0(3) . . . . ?
C19 C12 C13 O8 -178.4(16) . . . . ?
C20 C11 C26 C23 1(3) . . . . ?
C20 C11 C26 O5 -179.8(18) . . . . ?
C20 C11 O9 Dy1 5(4) . . . . ?
C20 C17 N6 Dy1 -1(3) . . . . ?
C20 C17 N6 N5 175.8(16) . . . . ?
C20 C18 C28 C23 5(4) . . . . ?
C21 C24 C27 N7 19(4) . . . . ?
C21 C24 C29 C35 1(4) . . . . ?
C21 C25 C34 C35 -1(3) . . . . ?
C21 C25 O6 C31 179(2) . . . . ?
C21 C25 O6 Dy1 20(2) . . . . ?
C23 C26 O5 C30 0(4) . . . . ?
C24 C21 C25 C34 2(3) . . . . ?
C24 C21 C25 O6 -175.6(18) . . . . ?
C24 C21 O4 Dy2 -32(3) . . . . ?
C24 C21 O4 Dy1 152.1(16) . . . . ?
C24 C27 N7 Dy2 -1(3) . . . . ?
C24 C27 N7 N9 -178(2) . . . . ?
C24 C29 C35 C34 0(4) . . . . ?
C25 C21 C24 C27 174(2) . . . . ?
C25 C21 C24 C29 -2(3) . . . . ?
C25 C21 O4 Dy2 150.3(14) . . . . ?
C25 C21 O4 Dy1 -26(2) . . . . ?
C25 C34 C35 C29 0(3) . . . . ?
C26 C11 C20 C17 -179.3(19) . . . . ?
C26 C11 C20 C18 -2(3) . . . . ?
C26 C11 O9 Dy1 -173.5(18) . . . . ?
C26 C23 C28 C18 -6(4) . . . . ?
C27 C24 C29 C35 -176(2) . . . . ?
C27 N7 N9 C2 -177.1(18) . . . . ?
C28 C18 C20 C11 -1(4) . . . . ?
C28 C18 C20 C17 176(2) . . . . ?
C28 C23 C26 C11 3(4) . . . . ?
C28 C23 C26 O5 -176(3) . . . . ?
C29 C24 C27 N7 -164(2) . . . . ?
C34 C25 O6 C31 1(3) . . . . ?
C34 C25 O6 Dy1 -157.6(16) . . . . ?
Dy3 N2 N8 C8 170.6(13) . . . . ?
Dy3 N2 N8 Dy2 -25.2(15) . . . . ?
Dy3 N3 N4 C10 5.6(17) . . . 16_455 ?
Dy3 O15 N12 O16 -4(6) . . . . ?
Dy3 O15 N12 O17 170(2) . . . . ?
Dy2 N7 N9 C2 5(2) . . . . ?
N1 C1 C2 N9 -169.9(18) . . . . ?
N1 C1 C2 O1 6(2) . . . . ?
N1 C1 C7 C7 -1(4) . . . 16_455 ?
N2 C5 C10 N4 179.6(15) . . . 16_455 ?
N2 C5 C10 O2 -3(2) . . . . ?
N3 C9 C15 C14 9(3) . . . . ?
N3 C9 C15 C16 -166.8(19) . . . . ?
N4 C10 O2 Dy3 163.7(13) 16_455 . . . ?
N4 C10 O2 Dy3 -7(2) 16_455 . . 16_455 ?
N5 C6 C8 C4 -5(3) . . . . ?
N5 C6 C8 N8 175.5(16) . . . . ?
N5 C6 O3 Dy2 175.7(14) . . . . ?
N5 C6 O3 Dy1 13(3) . . . . ?
N6 C17 C20 C11 -3(3) . . . . ?
N6 C17 C20 C18 179.7(19) . . . . ?
N9 C2 O1 Dy3 150.2(16) . . . . ?
N9 C2 O1 Dy2 -11(3) . . . . ?
N11 C32 O14 Dy1 101(5) . . . . ?
O1 C2 N9 N7 3(3) . . . . ?
O3 C6 C8 C4 171.4(17) . . . . ?
O3 C6 C8 N8 -8(2) . . . . ?
O3 C6 N5 N6 0(3) . . . . ?
O4 C21 C24 C27 -3(3) . . . . ?
O4 C21 C24 C29 179.8(19) . . . . ?
O4 C21 C25 C34 -179.6(18) . . . . ?
O4 C21 C25 O6 2(3) . . . . ?
O6 C25 C34 C35 176.7(18) . . . . ?
O7 C14 C15 C9 8(3) . . . . ?
O7 C14 C15 C16 -176.9(17) . . . . ?
O8 C13 C14 C15 173.7(16) . . . . ?
O8 C13 C14 O7 -5(2) . . . . ?
O9 C11 C20 C17 2(3) . . . . ?
O9 C11 C20 C18 179(2) . . . . ?
O9 C11 C26 C23 -180(2) . . . . ?
O9 C11 C26 O5 -1(3) . . . . ?
O10 N10 O11 Dy1 -3(2) . . . . ?
O11 N10 O10 Dy1 3(2) . . . . ?
O12 N10 O10 Dy1 178(3) . . . . ?
O12 N10 O11 Dy1 -179(2) . . . . ?
O14 C32 N11 C33 4(3) . . . . ?
O14 C32 N11 C36 -175(2) . . . . ?
O18 C37 N13 C38 177(3) . . . . ?
O18 C37 N13 C39 0(3) . . . . ?
N13 C37 O18 Dy2 -147.0(16) . . . . ?
O19 N14 O20 Dy3 -110(5) . . . . ?
O21 N14 O20 Dy3 69(6) . . . . ?

####################################################################### 
# 
# 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_Dy6-SCN
_database_code_depnum_ccdc_archive 'CCDC 1937074'
loop_
_audit_author_name
_audit_author_address
'Jingjing Lu'
;CIAC
China
;
_audit_update_record             
;
2019-06-28 deposited with the CCDC.	2019-08-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-28
_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         'C96 H104 Dy6 N32 O26 S6, C3 H7 N O'
_chemical_formula_sum            'C99 H111 Dy6 N33 O27 S6'
_chemical_formula_weight         3362.56
_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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   19.1621(9)
_cell_length_b                   19.7925(9)
_cell_length_c                   36.6621(17)
_cell_angle_alpha                90
_cell_angle_beta                 96.3550(10)
_cell_angle_gamma                90
_cell_volume                     13819.2(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.367
_exptl_absorpt_correction_T_max  0.493
_exptl_absorpt_correction_T_min  0.379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needlelike
_exptl_crystal_F_000             6576
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            85352
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.039
_diffrn_reflns_theta_min         1.118
_diffrn_ambient_temperature      153.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19420
_reflns_number_total             27222
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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         2.778
_refine_diff_density_min         -2.383
_refine_diff_density_rms         0.211
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1563
_refine_ls_number_reflns         27222
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0551
_refine_ls_restrained_S_all      1.088
_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)+(0.0844P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1520
_refine_ls_wR_factor_ref         0.1648
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N33-C99
 1.3 with sigma of 0.01
 O28-C99
 1.21 with sigma of 0.01
 N33-C95 = N33-C97
 1.47 with sigma of 0.01
 C95-C97
 2.5 with sigma of 0.01
3. Restrained planarity
 O28, C95, C99, C97, N33
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C99) \\sim Ueq, Uanis(C94) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O28) \\sim Ueq, Uanis(N33) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C98) \\sim Ueq, Uanis(N31) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C96)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C97) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5.a Riding coordinates:
 C97(H97A,H97B,H97C)
5.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C22(H22), C27(H27), C30(H30), C33(H33), C36(H36), C37(H37), C40(H40), C41(H41),
  C42(H42), C43(H43), C44(H44), C48(H48), C50(H50), C51(H51), C54(H54),
 C57(H57), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64), C65(H65),
  C66(H66), C68(H68), C69(H69), C71(H71), C73(H73), C74(H74), C98(H98), C99(H99)
5.c Idealised Me refined as rotating group:
 C79(H79A,H79B,H79C), C3(H3A,H3B,H3C), C70(H70A,H70B,H70C), C72(H72A,H72B,
 H72C), C75(H75A,H75B,H75C), C76(H76A,H76B,H76C), C77(H77A,H77B,H77C), C78(H78A,
 H78B,H78C), C80(H80A,H80B,H80C), C81(H81A,H81B,H81C), C82(H82A,H82B,H82C),
 C83(H83A,H83B,H83C), C84(H84A,H84B,H84C), C85(H85A,H85B,H85C), C86(H86A,H86B,
 H86C), C87(H87A,H87B,H87C), C88(H88A,H88B,H88C), C90(H90A,H90B,H90C), C91(H91A,
 H91B,H91C), C92(H92A,H92B,H92C), C93(H93A,H93B,H93C), C95(H95A,H95B,H95C),
 C96(H96A,H96B,H96C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
C79 C 0.5191(8) 0.2196(7) 0.3157(4) 0.081(4) Uani 1 1 d . U . . .
H79A H 0.530869 0.260277 0.303493 0.122 Uiso 1 1 calc GR . . . .
H79B H 0.503076 0.230856 0.338868 0.122 Uiso 1 1 calc GR . . . .
H79C H 0.482537 0.196161 0.300751 0.122 Uiso 1 1 calc GR . . . .
C1 C 0.6047(4) 0.5129(4) 0.6068(2) 0.0178(17) Uani 1 1 d . . . . .
C2 C 0.5685(5) 0.5540(4) 0.5786(2) 0.0250(19) Uani 1 1 d . . . . .
C3 C 0.6018(5) 0.4881(5) 0.7043(2) 0.035(2) Uani 1 1 d . . . . .
H3A H 0.619810 0.524865 0.719571 0.053 Uiso 1 1 calc GR . . . .
H3B H 0.613587 0.446047 0.716489 0.053 Uiso 1 1 calc GR . . . .
H3C H 0.551716 0.491962 0.699453 0.053 Uiso 1 1 calc GR . . . .
C4 C 0.5590(5) 0.5871(4) 0.6517(3) 0.033(2) Uani 1 1 d . . . . .
H4 H 0.554545 0.596679 0.676126 0.039 Uiso 1 1 calc R . . . .
C5 C 0.5652(4) 0.5429(4) 0.5386(2) 0.0258(19) Uani 1 1 d . . . . .
H5 H 0.533508 0.569057 0.523641 0.031 Uiso 1 1 calc R . . . .
C6 C 0.5271(5) 0.6289(5) 0.6245(3) 0.034(2) Uani 1 1 d . . . . .
H6 H 0.503378 0.667852 0.630189 0.041 Uiso 1 1 calc R . . . .
C7 C 0.5974(4) 0.5314(4) 0.6430(2) 0.0234(18) Uani 1 1 d . . . . .
C8 C 0.5319(5) 0.6101(5) 0.5881(2) 0.031(2) Uani 1 1 d . . . . .
H8 H 0.509340 0.636637 0.569455 0.037 Uiso 1 1 calc R . . . .
C9 C 0.6385(4) 0.2900(4) 0.7588(2) 0.0253(19) Uani 1 1 d . . . . .
C10 C 0.6360(5) 0.2282(4) 0.7023(2) 0.029(2) Uani 1 1 d . . . . .
C11 C 0.5793(6) 0.1847(5) 0.7526(3) 0.042(3) Uani 1 1 d . . . . .
H11 H 0.552525 0.151520 0.762447 0.051 Uiso 1 1 calc R . . . .
C12 C 0.6549(5) 0.2141(4) 0.6653(2) 0.027(2) Uani 1 1 d . . . . .
H12 H 0.651483 0.169697 0.656874 0.033 Uiso 1 1 calc R . . . .
C13 C 0.5995(5) 0.2411(5) 0.7732(3) 0.037(2) Uani 1 1 d . . . . .
H13 H 0.586618 0.245794 0.796799 0.044 Uiso 1 1 calc R . . . .
C14 C 0.5978(5) 0.1767(5) 0.7181(3) 0.037(2) Uani 1 1 d . . . . .
H14 H 0.585377 0.137583 0.704890 0.044 Uiso 1 1 calc R . . . .
C15 C 0.6578(4) 0.2863(4) 0.7231(2) 0.0251(19) Uani 1 1 d . . . . .
C16 C 0.7055(4) 0.2793(4) 0.5883(2) 0.0218(18) Uani 1 1 d . . . . .
C17 C 0.6393(4) 0.4684(4) 0.4711(2) 0.0231(19) Uani 1 1 d . . . . .
C18 C 0.6721(5) 0.4154(4) 0.3229(2) 0.0234(19) Uani 1 1 d . . . . .
C19 C 0.6401(4) 0.4638(4) 0.4296(2) 0.0205(18) Uani 1 1 d . . . . .
C20 C 0.7673(5) 0.2471(4) 0.4845(2) 0.0247(19) Uani 1 1 d . . . . .
C21 C 0.6583(5) 0.4399(4) 0.3592(2) 0.0252(19) Uani 1 1 d . . . . .
C22 C 0.6005(5) 0.4175(5) 0.2344(2) 0.033(2) Uani 1 1 d . . . . .
H22 H 0.566396 0.449519 0.238046 0.039 Uiso 1 1 calc R . . . .
C23 C 0.7901(5) 0.2531(4) 0.4470(2) 0.026(2) Uani 1 1 d . . . . .
C24 C 0.8428(4) 0.4876(4) 0.6571(2) 0.0197(18) Uani 1 1 d . . . . .
C25 C 0.8323(4) 0.4743(4) 0.6955(2) 0.0197(17) Uani 1 1 d . . . . .
C26 C 0.8608(4) 0.4778(4) 0.5448(2) 0.0195(17) Uani 1 1 d . . . . .
C27 C 0.9115(5) 0.5186(4) 0.6092(2) 0.028(2) Uani 1 1 d . . . . .
H27 H 0.950179 0.539157 0.600663 0.034 Uiso 1 1 calc R . . . .
C28 C 0.8604(4) 0.4867(4) 0.5852(2) 0.0194(17) Uani 1 1 d . . . . .
C29 C 0.8871(5) 0.4242(4) 0.8319(2) 0.030(2) Uani 1 1 d . . . . .
C30 C 0.9164(5) 0.4972(4) 0.7792(2) 0.030(2) Uani 1 1 d . . . . .
H30 H 0.947814 0.528742 0.771676 0.036 Uiso 1 1 calc R . . . .
C31 C 0.9242(5) 0.4792(4) 0.8180(2) 0.028(2) Uani 1 1 d . . . . .
C32 C 0.7221(5) 0.6107(5) 0.5487(2) 0.028(2) Uani 1 1 d . . . . .
C33 C 0.7811(5) 0.5900(4) 0.4649(3) 0.032(2) Uani 1 1 d . . . . .
H33 H 0.793763 0.599512 0.489630 0.038 Uiso 1 1 calc R . . . .
C34 C 0.8609(5) 0.2246(5) 0.3176(2) 0.033(2) Uani 1 1 d . . . . .
C35 C 0.8894(5) 0.2240(5) 0.2837(2) 0.033(2) Uani 1 1 d . . . . .
C36 C 0.6012(5) 0.4802(4) 0.3669(2) 0.029(2) Uani 1 1 d . . . . .
H36 H 0.570397 0.497711 0.347851 0.035 Uiso 1 1 calc R . . . .
C37 C 0.8524(5) 0.1676(5) 0.3784(3) 0.036(2) Uani 1 1 d . . . . .
H37 H 0.857038 0.126245 0.390412 0.043 Uiso 1 1 calc R . . . .
C38 C 0.7251(4) 0.2626(4) 0.5511(2) 0.0217(18) Uani 1 1 d . . . . .
C39 C 0.8789(5) 0.1727(4) 0.3429(3) 0.032(2) Uani 1 1 d . . . . .
C40 C 0.7560(5) 0.1888(4) 0.5032(2) 0.030(2) Uani 1 1 d . . . . .
H40 H 0.762462 0.146647 0.492867 0.036 Uiso 1 1 calc R . . . .
C41 C 0.9267(5) 0.1243(5) 0.3342(3) 0.038(2) Uani 1 1 d . . . . .
H41 H 0.939349 0.090022 0.350971 0.046 Uiso 1 1 calc R . . . .
C42 C 0.5914(5) 0.4935(5) 0.4033(2) 0.033(2) Uani 1 1 d . . . . .
H42 H 0.554761 0.520380 0.409656 0.040 Uiso 1 1 calc R . . . .
C43 C 0.7347(5) 0.1949(4) 0.5377(2) 0.030(2) Uani 1 1 d . . . . .
H43 H 0.726901 0.157066 0.551721 0.036 Uiso 1 1 calc R . . . .
C44 C 0.5398(5) 0.3596(5) 0.5492(2) 0.031(2) Uani 1 1 d . . . . .
H44 H 0.534340 0.388127 0.568873 0.037 Uiso 1 1 calc R . . . .
C45 C 0.6489(5) 0.2622(5) 0.3962(3) 0.038(2) Uani 1 1 d . . . . .
C46 C 0.5134(5) 0.3572(4) 0.6544(2) 0.028(2) Uani 1 1 d . . . . .
C47 C 0.8896(4) 0.4798(4) 0.4055(2) 0.0231(19) Uani 1 1 d . . . . .
C48 C 0.9027(5) 0.5186(4) 0.6456(2) 0.029(2) Uani 1 1 d . . . . .
H48 H 0.935815 0.538798 0.662663 0.035 Uiso 1 1 calc R . . . .
C49 C 0.8959(5) 0.4856(4) 0.3682(2) 0.028(2) Uani 1 1 d . . . . .
C50 C 0.9314(4) 0.5304(4) 0.4694(2) 0.0231(19) Uani 1 1 d . . . . .
H50 H 0.963267 0.560732 0.481288 0.028 Uiso 1 1 calc R . . . .
C51 C 0.9537(6) 0.5929(5) 0.3763(3) 0.039(2) Uani 1 1 d . . . . .
H51 H 0.971156 0.632031 0.366588 0.047 Uiso 1 1 calc R . . . .
C52 C 0.9245(4) 0.5294(4) 0.4301(2) 0.0256(19) Uani 1 1 d . . . . .
C53 C 0.6492(5) 0.3407(5) 0.1890(3) 0.035(2) Uani 1 1 d . . . . .
C54 C 0.9553(5) 0.5852(4) 0.4136(2) 0.032(2) Uani 1 1 d . . . . .
H54 H 0.977559 0.618185 0.428742 0.038 Uiso 1 1 calc R . . . .
C55 C 0.6032(5) 0.3939(5) 0.1974(3) 0.037(2) Uani 1 1 d . . . . .
C56 C 0.8370(6) 0.4523(5) 0.2418(3) 0.047(3) Uani 1 1 d . . . . .
C57 C 0.7375(5) 0.1657(5) 0.2266(3) 0.033(2) Uani 1 1 d . . . . .
H57 H 0.714635 0.187258 0.206111 0.039 Uiso 1 1 calc R . . . .
C58 C 0.9057(6) 0.4076(5) 0.8703(3) 0.039(2) Uani 1 1 d . . . . .
C59 C 0.9378(5) 0.1757(5) 0.2762(2) 0.033(2) Uani 1 1 d . . . . .
H59 H 0.957874 0.177116 0.254268 0.040 Uiso 1 1 calc R . . . .
C60 C 0.5554(6) 0.4057(5) 0.1336(3) 0.048(3) Uani 1 1 d . . . . .
H60 H 0.525486 0.427082 0.115468 0.058 Uiso 1 1 calc R . . . .
C61 C 0.5565(5) 0.4257(5) 0.1694(2) 0.039(2) Uani 1 1 d . . . . .
H61 H 0.526883 0.460140 0.175522 0.047 Uiso 1 1 calc R . . . .
C62 C 0.9562(5) 0.1249(5) 0.3016(3) 0.044(3) Uani 1 1 d . . . . .
H62 H 0.988101 0.091624 0.296657 0.053 Uiso 1 1 calc R . . . .
C63 C 0.5994(6) 0.3529(6) 0.1240(3) 0.053(3) Uani 1 1 d . . . . .
H63 H 0.597314 0.338099 0.099860 0.064 Uiso 1 1 calc R . . . .
C64 C 0.9518(6) 0.4424(5) 0.8914(3) 0.044(3) Uani 1 1 d . . . . .
H64 H 0.961795 0.430279 0.915913 0.052 Uiso 1 1 calc R . . . .
C65 C 0.9739(6) 0.5164(5) 0.8413(3) 0.044(3) Uani 1 1 d . . . . .
H65 H 0.997467 0.552753 0.832241 0.053 Uiso 1 1 calc R . . . .
C66 C 0.7914(5) 0.2436(5) 0.8087(3) 0.044(3) Uani 1 1 d . . . . .
H66 H 0.806782 0.273553 0.827415 0.053 Uiso 1 1 calc R . . . .
C67 C 0.6461(6) 0.3230(5) 0.1513(3) 0.044(3) Uani 1 1 d . . . . .
C68 C 0.9254(5) 0.5408(5) 0.3528(3) 0.039(2) Uani 1 1 d . . . . .
H68 H 0.926552 0.543615 0.327600 0.047 Uiso 1 1 calc R . . . .
C69 C 0.9712(5) 0.3218(5) 0.4086(3) 0.040(3) Uani 1 1 d . . . . .
H69 H 0.959458 0.340670 0.430366 0.049 Uiso 1 1 calc R . . . .
C70 C 0.8987(5) 0.3022(5) 0.6013(3) 0.049(3) Uani 1 1 d . . . . .
H70A H 0.881739 0.345895 0.607584 0.074 Uiso 1 1 calc GR . . . .
H70B H 0.882373 0.292135 0.576221 0.074 Uiso 1 1 calc GR . . . .
H70C H 0.949072 0.302179 0.604546 0.074 Uiso 1 1 calc GR . . . .
C71 C 0.8301(5) 0.2697(5) 0.6497(3) 0.043(3) Uani 1 1 d . . . . .
H71 H 0.813728 0.234868 0.663483 0.052 Uiso 1 1 calc R . . . .
C72 C 0.4166(5) 0.3316(6) 0.5518(3) 0.053(3) Uani 1 1 d . . . . .
H72A H 0.423869 0.358805 0.573618 0.079 Uiso 1 1 calc GR . . . .
H72B H 0.399150 0.288066 0.557865 0.079 Uiso 1 1 calc GR . . . .
H72C H 0.383167 0.353369 0.534212 0.079 Uiso 1 1 calc GR . . . .
C73 C 0.9468(8) 0.3438(6) 0.7265(3) 0.064(4) Uani 1 1 d . . . . .
H73 H 0.964254 0.387697 0.727037 0.077 Uiso 1 1 calc R . . . .
C74 C 0.9868(6) 0.4978(5) 0.8777(3) 0.050(3) Uani 1 1 d . . . . .
H74 H 1.018993 0.522256 0.893416 0.061 Uiso 1 1 calc R . . . .
C75 C 0.4893(6) 0.2794(6) 0.5045(3) 0.057(3) Uani 1 1 d . . . . .
H75A H 0.533338 0.286527 0.494904 0.086 Uiso 1 1 calc GR . . . .
H75B H 0.451510 0.289557 0.485811 0.086 Uiso 1 1 calc GR . . . .
H75C H 0.485898 0.233131 0.511913 0.086 Uiso 1 1 calc GR . . . .
C76 C 0.7994(6) 0.0652(5) 0.2530(3) 0.056(3) Uani 1 1 d . . . . .
H76A H 0.795536 0.088375 0.275736 0.084 Uiso 1 1 calc GR . . . .
H76B H 0.848013 0.061793 0.249117 0.084 Uiso 1 1 calc GR . . . .
H76C H 0.779749 0.020755 0.254122 0.084 Uiso 1 1 calc GR . . . .
C77 C 0.7519(6) 0.0682(5) 0.1879(3) 0.051(3) Uani 1 1 d . . . . .
H77A H 0.722832 0.094888 0.170363 0.076 Uiso 1 1 calc GR . . . .
H77B H 0.729782 0.025352 0.190918 0.076 Uiso 1 1 calc GR . . . .
H77C H 0.796804 0.061201 0.179246 0.076 Uiso 1 1 calc GR . . . .
C78 C 0.8867(8) 0.1818(6) 0.6158(4) 0.079(5) Uani 1 1 d . . . . .
H78A H 0.858746 0.153244 0.629606 0.119 Uiso 1 1 calc GR . . . .
H78B H 0.935532 0.171737 0.622310 0.119 Uiso 1 1 calc GR . . . .
H78C H 0.874560 0.174002 0.590081 0.119 Uiso 1 1 calc GR . . . .
C80 C 0.7568(6) 0.1361(6) 0.7920(4) 0.065(4) Uani 1 1 d . . . . .
H80A H 0.707919 0.125166 0.791773 0.097 Uiso 1 1 calc GR . . . .
H80B H 0.784542 0.096357 0.797725 0.097 Uiso 1 1 calc GR . . . .
H80C H 0.765267 0.152646 0.768242 0.097 Uiso 1 1 calc GR . . . .
C81 C 1.0600(6) 0.2755(7) 0.3734(3) 0.073(4) Uani 1 1 d . . . . .
H81A H 1.019900 0.262417 0.356865 0.110 Uiso 1 1 calc GR . . . .
H81B H 1.088775 0.236622 0.379677 0.110 Uiso 1 1 calc GR . . . .
H81C H 1.086661 0.308705 0.361868 0.110 Uiso 1 1 calc GR . . . .
C82 C 1.0911(6) 0.3140(7) 0.4387(4) 0.074(4) Uani 1 1 d . . . . .
H82A H 1.071148 0.337129 0.458107 0.110 Uiso 1 1 calc GR . . . .
H82B H 1.128892 0.340330 0.431022 0.110 Uiso 1 1 calc GR . . . .
H82C H 1.108540 0.270758 0.447337 0.110 Uiso 1 1 calc GR . . . .
C83 C 0.8934(7) 0.3237(7) 0.9164(4) 0.081(5) Uani 1 1 d . . . . .
H83A H 0.941953 0.311023 0.917652 0.121 Uiso 1 1 calc GR . . . .
H83B H 0.865814 0.284838 0.921266 0.121 Uiso 1 1 calc GR . . . .
H83C H 0.887768 0.357960 0.934369 0.121 Uiso 1 1 calc GR . . . .
C84 C 0.7723(7) 0.1685(7) 0.8568(4) 0.075(4) Uani 1 1 d . . . . .
H84A H 0.778190 0.208595 0.871609 0.113 Uiso 1 1 calc GR . . . .
H84B H 0.809210 0.137090 0.864538 0.113 Uiso 1 1 calc GR . . . .
H84C H 0.727720 0.148287 0.859686 0.113 Uiso 1 1 calc GR . . . .
C85 C 0.6522(6) 0.3544(6) 0.8150(3) 0.053(3) Uani 1 1 d . . . . .
H85A H 0.605034 0.370296 0.815661 0.080 Uiso 1 1 calc GR . . . .
H85B H 0.684559 0.386660 0.826886 0.080 Uiso 1 1 calc GR . . . .
H85C H 0.657944 0.311809 0.827444 0.080 Uiso 1 1 calc GR . . . .
C86 C 0.8932(6) 0.2793(6) 0.2250(3) 0.051(3) Uani 1 1 d . . . . .
H86A H 0.943549 0.281285 0.228809 0.077 Uiso 1 1 calc GR . . . .
H86B H 0.875501 0.318671 0.211774 0.077 Uiso 1 1 calc GR . . . .
H86C H 0.878976 0.239554 0.211083 0.077 Uiso 1 1 calc GR . . . .
C87 C 0.9187(6) 0.4073(5) 0.3214(3) 0.048(3) Uani 1 1 d . . . . .
H87A H 0.924648 0.441187 0.303264 0.073 Uiso 1 1 calc GR . . . .
H87B H 0.900583 0.366778 0.309519 0.073 Uiso 1 1 calc GR . . . .
H87C H 0.963216 0.397958 0.335200 0.073 Uiso 1 1 calc GR . . . .
C88 C 0.7880(7) 0.7113(5) 0.4518(3) 0.063(4) Uani 1 1 d . . . . .
H88A H 0.800861 0.713916 0.477834 0.095 Uiso 1 1 calc GR . . . .
H88B H 0.745690 0.736589 0.445363 0.095 Uiso 1 1 calc GR . . . .
H88C H 0.825060 0.729640 0.439254 0.095 Uiso 1 1 calc GR . . . .
C89 C 0.6895(7) 0.5261(6) 0.7852(3) 0.059(3) Uani 1 1 d . . . . .
C90 C 0.7597(7) 0.6286(6) 0.4028(3) 0.054(3) Uani 1 1 d . . . . .
H90A H 0.763928 0.581267 0.397776 0.080 Uiso 1 1 calc GR . . . .
H90B H 0.791605 0.653546 0.389422 0.080 Uiso 1 1 calc GR . . . .
H90C H 0.712503 0.643109 0.395251 0.080 Uiso 1 1 calc GR . . . .
C91 C 1.0588(6) 0.3122(7) 0.7109(4) 0.068(4) Uani 1 1 d . . . . .
H91A H 1.068627 0.358870 0.716561 0.102 Uiso 1 1 calc GR . . . .
H91B H 1.062859 0.304213 0.685426 0.102 Uiso 1 1 calc GR . . . .
H91C H 1.091653 0.284202 0.725666 0.102 Uiso 1 1 calc GR . . . .
C92 C 0.7602(6) 0.2930(8) 0.1393(3) 0.074(4) Uani 1 1 d . . . . .
H92A H 0.759556 0.334294 0.125551 0.112 Uiso 1 1 calc GR . . . .
H92B H 0.785556 0.259146 0.127403 0.112 Uiso 1 1 calc GR . . . .
H92C H 0.782816 0.300588 0.163657 0.112 Uiso 1 1 calc GR . . . .
C93 C 0.9738(10) 0.2232(7) 0.7159(5) 0.121(7) Uani 1 1 d . . . . .
H93A H 0.928215 0.213430 0.723201 0.181 Uiso 1 1 calc GR . . . .
H93B H 1.008919 0.199512 0.731677 0.181 Uiso 1 1 calc GR . . . .
H93C H 0.975470 0.208960 0.691006 0.181 Uiso 1 1 calc GR . . . .
C94 C 0.9473(5) 0.3103(5) 0.5061(3) 0.038(2) Uani 1 1 d . U . . .
C95 C 0.7468(8) 0.5149(10) 0.8876(6) 0.139(8) Uani 1 1 d D . . . .
H95A H 0.772204 0.527854 0.910602 0.209 Uiso 1 1 calc GR . . . .
H95B H 0.722915 0.553539 0.876436 0.209 Uiso 1 1 calc GR . . . .
H95C H 0.778934 0.497433 0.871666 0.209 Uiso 1 1 calc GR . . . .
C96 C 0.5848(11) 0.1227(10) 0.3442(6) 0.146(8) Uani 1 1 d . U . . .
H96A H 0.633222 0.109190 0.347491 0.219 Uiso 1 1 calc GR . . . .
H96B H 0.556731 0.086326 0.333203 0.219 Uiso 1 1 calc GR . . . .
H96C H 0.569684 0.133608 0.367591 0.219 Uiso 1 1 calc GR . . . .
C97 C 0.6196(9) 0.4824(13) 0.8859(8) 0.233(14) Uani 1 1 d D U . . .
H97A H 0.614794 0.510715 0.864480 0.349 Uiso 1 1 d R . . . .
H97B H 0.591544 0.442545 0.881260 0.349 Uiso 1 1 d R . . . .
H97C H 0.604224 0.506665 0.906220 0.349 Uiso 1 1 d R . . . .
C98 C 0.6392(9) 0.2091(8) 0.3084(5) 0.095(5) Uani 1 1 d . U . . .
H98 H 0.681808 0.186683 0.313369 0.114 Uiso 1 1 calc R . . . .
C99 C 0.6968(14) 0.3975(9) 0.9032(5) 0.208(12) Uani 1 1 d D U . . .
H99 H 0.742798 0.382174 0.907515 0.250 Uiso 1 1 calc R . . . .
Dy1 Dy 0.78352(2) 0.38199(2) 0.75719(2) 0.02586(11) Uani 1 1 d . . . . .
Dy2 Dy 0.69698(2) 0.38421(2) 0.65365(2) 0.02059(10) Uani 1 1 d . . . . .
Dy3 Dy 0.69858(2) 0.43134(2) 0.55179(2) 0.01879(10) Uani 1 1 d . . . . .
Dy4 Dy 0.80110(2) 0.41423(2) 0.46899(2) 0.01969(10) Uani 1 1 d . . . . .
Dy5 Dy 0.80231(2) 0.33639(2) 0.37372(2) 0.02374(11) Uani 1 1 d . . . . .
Dy6 Dy 0.73753(2) 0.31279(2) 0.26967(2) 0.02820(11) Uani 1 1 d . . . . .
N1 N 0.5909(4) 0.5036(4) 0.48373(18) 0.0262(16) Uani 1 1 d . . . . .
N2 N 0.6019(3) 0.5006(3) 0.52301(17) 0.0208(15) Uani 1 1 d . . . . .
N3 N 0.6906(4) 0.2319(3) 0.61016(19) 0.0253(16) Uani 1 1 d . . . . .
N4 N 0.6757(4) 0.2589(3) 0.64390(18) 0.0249(16) Uani 1 1 d . . . . .
N5 N 0.7591(3) 0.3091(3) 0.49871(17) 0.0171(14) Uani 1 1 d . . . . .
N6 N 0.6979(4) 0.4296(3) 0.42104(19) 0.0249(16) Uani 1 1 d . . . . .
N7 N 0.7067(4) 0.4184(4) 0.38639(18) 0.0246(16) Uani 1 1 d . . . . .
N8 N 0.7372(4) 0.3155(3) 0.53145(18) 0.0216(15) Uani 1 1 d . . . . .
N9 N 0.6414(4) 0.3980(4) 0.26295(19) 0.0319(18) Uani 1 1 d . . . . .
N10 N 0.6238(4) 0.4294(4) 0.29570(19) 0.0301(18) Uani 1 1 d . . . . .
N11 N 0.8024(3) 0.4606(3) 0.59699(17) 0.0173(14) Uani 1 1 d . . . . .
N12 N 0.7952(3) 0.4601(3) 0.63254(18) 0.0197(15) Uani 1 1 d . . . . .
N13 N 0.8701(4) 0.4734(3) 0.75454(19) 0.0252(16) Uani 1 1 d . . . . .
N14 N 0.8801(4) 0.4971(3) 0.71954(19) 0.0248(16) Uani 1 1 d . . . . .
N15 N 0.9088(4) 0.5072(3) 0.52810(18) 0.0222(15) Uani 1 1 d . . . . .
N16 N 0.8969(4) 0.4927(3) 0.48944(18) 0.0228(15) Uani 1 1 d . . . . .
N17 N 0.8230(4) 0.2159(4) 0.39432(19) 0.0284(17) Uani 1 1 d . . . . .
N18 N 0.8053(4) 0.1985(4) 0.4300(2) 0.0325(18) Uani 1 1 d . . . . .
N19 N 0.7299(4) 0.5542(4) 0.5528(2) 0.0270(17) Uani 1 1 d . . . . .
N20 N 0.7763(4) 0.6404(4) 0.4411(2) 0.0348(19) Uani 1 1 d . . . . .
N21 N 0.4848(4) 0.3234(4) 0.5359(2) 0.0287(17) Uani 1 1 d . . . . .
N22 N 0.6887(4) 0.2793(4) 0.3763(2) 0.0298(17) Uani 1 1 d . . . . .
N23 N 0.5724(4) 0.3633(4) 0.6511(2) 0.0333(18) Uani 1 1 d . . . . .
N24 N 0.9038(4) 0.3447(3) 0.4931(2) 0.0278(17) Uani 1 1 d . . . . .
N25 N 0.7611(4) 0.1031(4) 0.2226(2) 0.0319(18) Uani 1 1 d . . . . .
N26 N 0.7995(5) 0.4091(4) 0.2495(2) 0.042(2) Uani 1 1 d . . . . .
N27 N 0.7752(4) 0.1860(4) 0.8185(2) 0.041(2) Uani 1 1 d . . . . .
N28 N 0.8735(5) 0.2530(4) 0.6243(2) 0.049(2) Uani 1 1 d . . . . .
N29 N 0.9869(5) 0.2960(5) 0.7188(2) 0.051(3) Uani 1 1 d . . . . .
N30 N 1.0361(5) 0.3044(5) 0.4071(2) 0.049(2) Uani 1 1 d . . . . .
N31 N 0.5773(7) 0.1790(7) 0.3215(4) 0.089(4) Uani 1 1 d . U . . .
N32 N 0.7237(4) 0.4807(4) 0.7767(2) 0.038(2) Uani 1 1 d . . . . .
N33 N 0.6949(11) 0.4622(9) 0.8941(6) 0.198(9) Uani 1 1 d D U . . .
O1 O 0.7896(3) 0.2664(3) 0.77660(18) 0.0375(16) Uani 1 1 d . . . . .
O2 O 0.8105(3) 0.3284(3) 0.65583(17) 0.0297(14) Uani 1 1 d . . . . .
O3 O 0.5980(3) 0.3585(3) 0.53750(16) 0.0279(14) Uani 1 1 d . . . . .
O4 O 0.7695(3) 0.5319(3) 0.45572(16) 0.0275(14) Uani 1 1 d . . . . .
O5 O 0.9246(3) 0.3150(3) 0.38328(17) 0.0329(15) Uani 1 1 d . . . . .
O7 O 0.8811(3) 0.3340(3) 0.73374(19) 0.0358(16) Uani 1 1 d . . . . .
O8 O 0.6385(3) 0.2628(3) 0.29095(17) 0.0371(16) Uani 1 1 d . . . . .
O9 O 0.6443(3) 0.4608(3) 0.60175(15) 0.0208(12) Uani 1 1 d . . . . .
O10 O 0.6327(3) 0.4901(3) 0.66973(16) 0.0283(14) Uani 1 1 d . . . . .
O11 O 0.6978(3) 0.3348(3) 0.71135(15) 0.0243(13) Uani 1 1 d . . . . .
O12 O 0.6658(3) 0.3463(3) 0.77753(16) 0.0300(14) Uani 1 1 d . . . . .
O13 O 0.6882(3) 0.4330(3) 0.48932(14) 0.0207(12) Uani 1 1 d . . . . .
O14 O 0.7081(3) 0.3439(3) 0.59560(14) 0.0219(13) Uani 1 1 d . . . . .
O15 O 0.7295(3) 0.3795(3) 0.32125(16) 0.0272(14) Uani 1 1 d . . . . .
O16 O 0.7943(3) 0.3144(3) 0.43442(15) 0.0246(13) Uani 1 1 d . . . . .
O17 O 0.8134(3) 0.2740(3) 0.32192(15) 0.0273(14) Uani 1 1 d . . . . .
O18 O 0.8107(3) 0.4383(3) 0.53011(14) 0.0204(12) Uani 1 1 d . . . . .
O19 O 0.8556(3) 0.4267(3) 0.41715(15) 0.0236(13) Uani 1 1 d . . . . .
O20 O 0.7764(3) 0.4401(3) 0.70051(14) 0.0198(12) Uani 1 1 d . . . . .
O21 O 0.8395(3) 0.3883(3) 0.81175(16) 0.0345(15) Uani 1 1 d . . . . .
O22 O 0.8693(3) 0.4319(3) 0.34631(16) 0.0308(15) Uani 1 1 d . . . . .
O23 O 0.6912(4) 0.3102(3) 0.21272(17) 0.0391(16) Uani 1 1 d . . . . .
O24 O 0.8651(3) 0.2767(3) 0.26057(16) 0.0336(15) Uani 1 1 d . . . . .
O25 O 0.8702(4) 0.3494(4) 0.88030(18) 0.0474(19) Uani 1 1 d . . . . .
O26 O 0.7442(4) 0.1966(3) 0.25600(18) 0.0402(17) Uani 1 1 d . . . . .
O27 O 0.6886(4) 0.2701(4) 0.14129(18) 0.052(2) Uani 1 1 d . . . . .
O28 O 0.6552(10) 0.3522(9) 0.9075(5) 0.208(8) Uani 1 1 d D U . . .
S1 S 0.6409(4) 0.5874(3) 0.79483(12) 0.160(3) Uani 1 1 d . . . . .
S2 S 0.43036(14) 0.35326(17) 0.66068(9) 0.0587(9) Uani 1 1 d . . . . .
S3 S 0.71380(16) 0.69294(13) 0.54232(9) 0.0495(7) Uani 1 1 d . . . . .
S4 S 1.0091(2) 0.2589(2) 0.52456(11) 0.0870(13) Uani 1 1 d . . . . .
S5 S 0.59319(17) 0.23734(19) 0.42396(10) 0.0676(10) Uani 1 1 d . . . . .
S6 S 0.89003(19) 0.5141(2) 0.23374(12) 0.0856(13) 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
C79 N31 1.372(17) . ?
C1 C2 1.433(12) . ?
C1 C7 1.398(11) . ?
C1 O9 1.305(9) . ?
C2 C5 1.476(12) . ?
C2 C8 1.378(12) . ?
C3 O10 1.456(9) . ?
C4 C6 1.384(13) . ?
C4 C7 1.381(12) . ?
C5 N2 1.270(10) . ?
C6 C8 1.397(12) . ?
C7 O10 1.393(10) . ?
C9 C13 1.364(12) . ?
C9 C15 1.400(11) . ?
C9 O12 1.383(10) . ?
C10 C12 1.472(12) . ?
C10 C14 1.414(12) . ?
C10 C15 1.416(12) . ?
C11 C13 1.380(13) . ?
C11 C14 1.360(13) . ?
C12 N4 1.277(10) . ?
C15 O11 1.330(9) . ?
C16 C38 1.491(11) . ?
C16 N3 1.286(10) . ?
C16 O14 1.305(9) . ?
C17 C19 1.524(11) . ?
C17 N1 1.288(10) . ?
C17 O13 1.295(10) . ?
C18 C21 1.467(11) . ?
C18 N10 1.313(11) . ?
C18 O15 1.317(10) . ?
C19 C42 1.397(12) . ?
C19 N6 1.364(10) . ?
C20 C23 1.494(11) . ?
C20 C40 1.371(11) . ?
C20 N5 1.347(10) . ?
C21 C36 1.406(12) . ?
C21 N7 1.353(11) . ?
C22 C55 1.441(13) . ?
C22 N9 1.297(12) . ?
C23 N18 1.297(10) . ?
C23 O16 1.303(10) . ?
C24 C25 1.469(11) . ?
C24 C48 1.406(11) . ?
C24 N12 1.324(10) . ?
C25 N14 1.282(10) . ?
C25 O20 1.296(9) . ?
C26 C28 1.491(11) . ?
C26 N15 1.299(10) . ?
C26 O18 1.307(9) . ?
C27 C28 1.392(12) . ?
C27 C48 1.366(12) . ?
C28 N11 1.341(10) . ?
C29 C31 1.424(12) . ?
C29 C58 1.449(12) . ?
C29 O21 1.318(11) . ?
C30 C31 1.456(12) . ?
C30 N13 1.286(11) . ?
C31 C65 1.414(13) . ?
C32 N19 1.135(11) . ?
C32 S3 1.651(9) . ?
C33 N20 1.323(11) . ?
C33 O4 1.213(10) . ?
C34 C35 1.413(12) . ?
C34 C39 1.402(13) . ?
C34 O17 1.357(11) . ?
C35 C59 1.381(12) . ?
C35 O24 1.391(11) . ?
C36 C42 1.395(12) . ?
C37 C39 1.449(13) . ?
C37 N17 1.283(11) . ?
C38 C43 1.449(11) . ?
C38 N8 1.306(10) . ?
C39 C41 1.387(12) . ?
C40 C43 1.376(12) . ?
C41 C62 1.376(13) . ?
C44 N21 1.322(11) . ?
C44 O3 1.239(10) . ?
C45 N22 1.161(12) . ?
C45 S5 1.631(11) . ?
C46 N23 1.156(11) . ?
C46 S2 1.634(9) . ?
C47 C49 1.392(12) . ?
C47 C52 1.444(11) . ?
C47 O19 1.330(9) . ?
C49 C68 1.378(12) . ?
C49 O22 1.393(10) . ?
C50 C52 1.434(11) . ?
C50 N16 1.280(10) . ?
C51 C54 1.371(12) . ?
C51 C68 1.413(13) . ?
C52 C54 1.420(11) . ?
C53 C55 1.427(14) . ?
C53 C67 1.421(14) . ?
C53 O23 1.270(11) . ?
C55 C61 1.431(14) . ?
C56 N26 1.171(12) . ?
C56 S6 1.637(12) . ?
C57 N25 1.333(11) . ?
C57 O26 1.233(11) . ?
C58 C64 1.306(13) . ?
C58 O25 1.406(11) . ?
C59 C62 1.389(14) . ?
C60 C61 1.368(13) . ?
C60 C63 1.412(16) . ?
C63 C67 1.398(15) . ?
C64 C74 1.407(14) . ?
C65 C74 1.382(14) . ?
C66 N27 1.246(12) . ?
C66 O1 1.256(12) . ?
C67 O27 1.399(12) . ?
C69 N30 1.298(13) . ?
C69 O5 1.223(12) . ?
C70 N28 1.408(12) . ?
C71 N28 1.354(12) . ?
C71 O2 1.250(11) . ?
C72 N21 1.496(12) . ?
C73 N29 1.270(14) . ?
C73 O7 1.330(14) . ?
C75 N21 1.456(12) . ?
C76 N25 1.470(13) . ?
C77 N25 1.443(12) . ?
C78 N28 1.470(13) . ?
C80 N27 1.405(14) . ?
C81 N30 1.477(13) . ?
C82 N30 1.489(15) . ?
C83 O25 1.442(13) . ?
C84 N27 1.454(14) . ?
C85 O12 1.435(10) . ?
C86 O24 1.466(10) . ?
C87 O22 1.469(11) . ?
C88 N20 1.466(13) . ?
C89 N32 1.174(13) . ?
C89 S1 1.594(13) . ?
C90 N20 1.426(12) . ?
C91 N29 1.472(14) . ?
C92 O27 1.455(13) . ?
C93 N29 1.465(15) . ?
C94 N24 1.140(11) . ?
C94 S4 1.649(11) . ?
C95 N33 1.478(10) . ?
C96 N31 1.39(2) . ?
C97 N33 1.494(10) . ?
C98 N31 1.455(18) . ?
C98 O8 1.240(17) . ?
C99 N33 1.323(10) . ?
C99 O28 1.221(10) . ?
Dy1 Dy2 3.9710(6) . ?
Dy1 N13 2.463(7) . ?
Dy1 N32 2.413(8) . ?
Dy1 O1 2.395(6) . ?
Dy1 O7 2.344(6) . ?
Dy1 O11 2.405(6) . ?
Dy1 O12 2.552(6) . ?
Dy1 O20 2.366(5) . ?
Dy1 O21 2.166(6) . ?
Dy2 Dy3 3.8528(5) . ?
Dy2 N4 2.532(7) . ?
Dy2 N12 2.593(6) . ?
Dy2 N23 2.415(8) . ?
Dy2 O2 2.433(6) . ?
Dy2 O9 2.552(5) . ?
Dy2 O10 2.533(5) . ?
Dy2 O11 2.329(5) . ?
Dy2 O14 2.305(5) . ?
Dy2 O20 2.432(5) . ?
Dy3 Dy4 3.8089(5) . ?
Dy3 N2 2.449(7) . ?
Dy3 N8 2.547(6) . ?
Dy3 N11 2.511(7) . ?
Dy3 N19 2.504(7) . ?
Dy3 O3 2.418(6) . ?
Dy3 O9 2.280(5) . ?
Dy3 O13 2.277(5) . ?
Dy3 O14 2.355(5) . ?
Dy3 O18 2.376(5) . ?
Dy4 Dy5 3.8200(5) . ?
Dy4 N5 2.523(6) . ?
Dy4 N6 2.514(7) . ?
Dy4 N16 2.457(7) . ?
Dy4 N24 2.482(7) . ?
Dy4 O4 2.442(6) . ?
Dy4 O13 2.394(5) . ?
Dy4 O16 2.343(5) . ?
Dy4 O18 2.278(5) . ?
Dy4 O19 2.281(5) . ?
Dy5 Dy6 3.9068(6) . ?
Dy5 N7 2.530(7) . ?
Dy5 N17 2.520(7) . ?
Dy5 N22 2.465(7) . ?
Dy5 O5 2.370(6) . ?
Dy5 O15 2.404(6) . ?
Dy5 O16 2.289(5) . ?
Dy5 O17 2.295(5) . ?
Dy5 O19 2.533(5) . ?
Dy5 O22 2.553(6) . ?
Dy6 N9 2.489(8) . ?
Dy6 N26 2.406(8) . ?
Dy6 O8 2.349(6) . ?
Dy6 O15 2.325(5) . ?
Dy6 O17 2.399(6) . ?
Dy6 O23 2.177(7) . ?
Dy6 O24 2.604(6) . ?
Dy6 O26 2.360(6) . ?
N1 N2 1.433(9) . ?
N3 N4 1.406(9) . ?
N5 N8 1.320(9) . ?
N6 N7 1.318(9) . ?
N9 N10 1.426(9) . ?
N11 N12 1.326(9) . ?
N13 N14 1.400(9) . ?
N15 N16 1.440(9) . ?
N17 N18 1.428(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 C1 C2 116.4(7) . . ?
O9 C1 C2 126.1(7) . . ?
O9 C1 C7 117.6(7) . . ?
C1 C2 C5 126.6(7) . . ?
C8 C2 C1 119.6(8) . . ?
C8 C2 C5 113.8(8) . . ?
C7 C4 C6 121.0(9) . . ?
N2 C5 C2 125.5(8) . . ?
C4 C6 C8 117.2(8) . . ?
C4 C7 C1 122.6(8) . . ?
C4 C7 O10 122.4(8) . . ?
O10 C7 C1 114.9(7) . . ?
C2 C8 C6 123.0(9) . . ?
C13 C9 C15 122.6(8) . . ?
C13 C9 O12 124.9(8) . . ?
O12 C9 C15 112.5(7) . . ?
C14 C10 C12 115.6(8) . . ?
C14 C10 C15 120.0(8) . . ?
C15 C10 C12 124.2(7) . . ?
C14 C11 C13 121.1(8) . . ?
N4 C12 C10 124.0(8) . . ?
C9 C13 C11 119.6(8) . . ?
C11 C14 C10 119.8(9) . . ?
C9 C15 C10 116.8(7) . . ?
O11 C15 C9 119.1(8) . . ?
O11 C15 C10 124.0(8) . . ?
N3 C16 C38 120.2(7) . . ?
N3 C16 O14 126.5(7) . . ?
O14 C16 C38 113.3(7) . . ?
N1 C17 C19 118.6(8) . . ?
N1 C17 O13 128.0(8) . . ?
O13 C17 C19 113.3(7) . . ?
N10 C18 C21 115.9(8) . . ?
N10 C18 O15 127.0(8) . . ?
O15 C18 C21 117.1(8) . . ?
C42 C19 C17 125.7(7) . . ?
N6 C19 C17 111.0(7) . . ?
N6 C19 C42 123.2(8) . . ?
C40 C20 C23 127.2(8) . . ?
N5 C20 C23 110.0(7) . . ?
N5 C20 C40 122.8(7) . . ?
C36 C21 C18 126.2(8) . . ?
N7 C21 C18 112.8(7) . . ?
N7 C21 C36 121.0(8) . . ?
N9 C22 C55 125.6(9) . . ?
N18 C23 C20 118.7(8) . . ?
N18 C23 O16 125.4(7) . . ?
O16 C23 C20 115.8(7) . . ?
C48 C24 C25 124.5(8) . . ?
N12 C24 C25 114.9(7) . . ?
N12 C24 C48 120.1(7) . . ?
N14 C25 C24 115.7(7) . . ?
N14 C25 O20 128.7(7) . . ?
O20 C25 C24 115.6(7) . . ?
N15 C26 C28 119.8(7) . . ?
N15 C26 O18 126.8(7) . . ?
O18 C26 C28 113.4(7) . . ?
C48 C27 C28 117.6(8) . . ?
C27 C28 C26 126.9(7) . . ?
N11 C28 C26 111.7(7) . . ?
N11 C28 C27 121.4(7) . . ?
C31 C29 C58 116.3(9) . . ?
O21 C29 C31 123.5(8) . . ?
O21 C29 C58 120.1(8) . . ?
N13 C30 C31 125.8(8) . . ?
C29 C31 C30 122.4(8) . . ?
C65 C31 C29 120.7(8) . . ?
C65 C31 C30 116.8(8) . . ?
N19 C32 S3 177.9(9) . . ?
O4 C33 N20 122.3(9) . . ?
C39 C34 C35 119.1(8) . . ?
O17 C34 C35 115.9(8) . . ?
O17 C34 C39 124.8(8) . . ?
C59 C35 C34 120.9(9) . . ?
C59 C35 O24 125.7(8) . . ?
O24 C35 C34 113.3(8) . . ?
C42 C36 C21 119.3(8) . . ?
N17 C37 C39 125.0(9) . . ?
C43 C38 C16 124.9(7) . . ?
N8 C38 C16 114.0(7) . . ?
N8 C38 C43 121.0(7) . . ?
C34 C39 C37 123.9(8) . . ?
C41 C39 C34 118.2(9) . . ?
C41 C39 C37 117.8(9) . . ?
C20 C40 C43 117.6(8) . . ?
C62 C41 C39 122.7(10) . . ?
C36 C42 C19 115.5(8) . . ?
C40 C43 C38 117.1(8) . . ?
O3 C44 N21 125.0(9) . . ?
N22 C45 S5 179.3(9) . . ?
N23 C46 S2 176.2(9) . . ?
C49 C47 C52 118.2(7) . . ?
O19 C47 C49 118.6(7) . . ?
O19 C47 C52 123.1(7) . . ?
C27 C48 C24 119.0(8) . . ?
C47 C49 O22 116.0(7) . . ?
C68 C49 C47 123.4(8) . . ?
C68 C49 O22 120.6(8) . . ?
N16 C50 C52 124.9(8) . . ?
C54 C51 C68 119.3(8) . . ?
C50 C52 C47 128.4(8) . . ?
C54 C52 C47 116.7(8) . . ?
C54 C52 C50 114.9(8) . . ?
C67 C53 C55 115.5(9) . . ?
O23 C53 C55 124.3(9) . . ?
O23 C53 C67 120.2(9) . . ?
C51 C54 C52 123.1(8) . . ?
C53 C55 C22 121.9(9) . . ?
C53 C55 C61 121.5(9) . . ?
C61 C55 C22 116.6(9) . . ?
N26 C56 S6 176.4(11) . . ?
O26 C57 N25 123.5(9) . . ?
C64 C58 C29 122.1(9) . . ?
C64 C58 O25 126.3(9) . . ?
O25 C58 C29 111.5(8) . . ?
C35 C59 C62 119.6(8) . . ?
C61 C60 C63 120.4(10) . . ?
C60 C61 C55 120.2(10) . . ?
C41 C62 C59 119.3(9) . . ?
C67 C63 C60 119.2(10) . . ?
C58 C64 C74 121.3(9) . . ?
C74 C65 C31 118.9(9) . . ?
N27 C66 O1 128.1(11) . . ?
C63 C67 C53 123.1(10) . . ?
C63 C67 O27 118.2(10) . . ?
O27 C67 C53 118.6(9) . . ?
C49 C68 C51 118.5(9) . . ?
O5 C69 N30 124.1(9) . . ?
O2 C71 N28 124.8(9) . . ?
N29 C73 O7 123.1(11) . . ?
C65 C74 C64 120.6(10) . . ?
N32 C89 S1 177.2(11) . . ?
N24 C94 S4 178.6(10) . . ?
O8 C98 N31 123.9(15) . . ?
O28 C99 N33 138(3) . . ?
N13 Dy1 Dy2 99.55(16) . . ?
N13 Dy1 O12 146.7(2) . . ?
N32 Dy1 Dy2 96.4(2) . . ?
N32 Dy1 N13 76.2(3) . . ?
N32 Dy1 O12 71.0(2) . . ?
O1 Dy1 Dy2 107.21(15) . . ?
O1 Dy1 N13 134.6(2) . . ?
O1 Dy1 N32 134.0(2) . . ?
O1 Dy1 O11 81.0(2) . . ?
O1 Dy1 O12 70.4(2) . . ?
O7 Dy1 Dy2 85.38(17) . . ?
O7 Dy1 N13 73.4(2) . . ?
O7 Dy1 N32 149.4(2) . . ?
O7 Dy1 O1 73.0(2) . . ?
O7 Dy1 O11 95.6(2) . . ?
O7 Dy1 O12 139.6(2) . . ?
O7 Dy1 O20 81.1(2) . . ?
O11 Dy1 Dy2 32.39(13) . . ?
O11 Dy1 N13 131.9(2) . . ?
O11 Dy1 N32 102.2(2) . . ?
O11 Dy1 O12 62.58(18) . . ?
O12 Dy1 Dy2 89.62(14) . . ?
O20 Dy1 Dy2 34.68(13) . . ?
O20 Dy1 N13 65.3(2) . . ?
O20 Dy1 N32 83.3(2) . . ?
O20 Dy1 O1 136.2(2) . . ?
O20 Dy1 O11 66.83(18) . . ?
O20 Dy1 O12 115.13(19) . . ?
O21 Dy1 Dy2 173.63(16) . . ?
O21 Dy1 N13 74.2(2) . . ?
O21 Dy1 N32 83.3(3) . . ?
O21 Dy1 O1 77.2(2) . . ?
O21 Dy1 O7 91.6(2) . . ?
O21 Dy1 O11 153.9(2) . . ?
O21 Dy1 O12 96.3(2) . . ?
O21 Dy1 O20 139.2(2) . . ?
Dy3 Dy2 Dy1 151.889(14) . . ?
N4 Dy2 Dy1 99.66(15) . . ?
N4 Dy2 Dy3 96.82(15) . . ?
N4 Dy2 N12 129.5(2) . . ?
N4 Dy2 O9 115.6(2) . . ?
N4 Dy2 O10 140.2(2) . . ?
N12 Dy2 Dy1 92.96(15) . . ?
N12 Dy2 Dy3 59.09(15) . . ?
N23 Dy2 Dy1 109.99(19) . . ?
N23 Dy2 Dy3 96.75(19) . . ?
N23 Dy2 N4 71.6(2) . . ?
N23 Dy2 N12 146.6(2) . . ?
N23 Dy2 O2 143.1(2) . . ?
N23 Dy2 O9 76.4(2) . . ?
N23 Dy2 O10 69.3(2) . . ?
N23 Dy2 O20 130.1(2) . . ?
O2 Dy2 Dy1 71.72(14) . . ?
O2 Dy2 Dy3 92.22(14) . . ?
O2 Dy2 N4 71.9(2) . . ?
O2 Dy2 N12 66.2(2) . . ?
O2 Dy2 O9 124.93(18) . . ?
O2 Dy2 O10 145.5(2) . . ?
O9 Dy2 Dy1 143.92(12) . . ?
O9 Dy2 Dy3 34.75(11) . . ?
O9 Dy2 N12 70.94(19) . . ?
O10 Dy2 Dy1 87.07(14) . . ?
O10 Dy2 Dy3 94.67(13) . . ?
O10 Dy2 N12 88.70(19) . . ?
O10 Dy2 O9 61.29(18) . . ?
O11 Dy2 Dy1 33.58(13) . . ?
O11 Dy2 Dy3 169.16(13) . . ?
O11 Dy2 N4 72.7(2) . . ?
O11 Dy2 N12 125.6(2) . . ?
O11 Dy2 N23 82.6(2) . . ?
O11 Dy2 O2 82.2(2) . . ?
O11 Dy2 O9 152.75(18) . . ?
O11 Dy2 O10 95.19(19) . . ?
O11 Dy2 O20 66.96(18) . . ?
O14 Dy2 Dy1 143.83(14) . . ?
O14 Dy2 Dy3 34.65(13) . . ?
O14 Dy2 N4 63.92(19) . . ?
O14 Dy2 N12 77.32(19) . . ?
O14 Dy2 N23 95.6(2) . . ?
O14 Dy2 O2 72.5(2) . . ?
O14 Dy2 O9 65.59(18) . . ?
O14 Dy2 O10 126.77(19) . . ?
O14 Dy2 O11 134.53(18) . . ?
O14 Dy2 O20 134.02(18) . . ?
O20 Dy2 Dy1 33.62(12) . . ?
O20 Dy2 Dy3 120.20(12) . . ?
O20 Dy2 N4 128.6(2) . . ?
O20 Dy2 N12 61.88(19) . . ?
O20 Dy2 O2 72.29(19) . . ?
O20 Dy2 O9 114.92(18) . . ?
O20 Dy2 O10 75.02(19) . . ?
Dy4 Dy3 Dy2 144.203(14) . . ?
N2 Dy3 Dy2 117.81(15) . . ?
N2 Dy3 Dy4 97.98(15) . . ?
N2 Dy3 N8 127.5(2) . . ?
N2 Dy3 N11 131.4(2) . . ?
N2 Dy3 N19 68.3(2) . . ?
N8 Dy3 Dy2 95.71(15) . . ?
N8 Dy3 Dy4 59.63(14) . . ?
N11 Dy3 Dy2 60.45(14) . . ?
N11 Dy3 Dy4 96.07(14) . . ?
N11 Dy3 N8 99.5(2) . . ?
N19 Dy3 Dy2 104.40(17) . . ?
N19 Dy3 Dy4 87.37(16) . . ?
N19 Dy3 N8 143.3(2) . . ?
N19 Dy3 N11 66.2(2) . . ?
O3 Dy3 Dy2 88.50(14) . . ?
O3 Dy3 Dy4 104.10(13) . . ?
O3 Dy3 N2 72.2(2) . . ?
O3 Dy3 N8 69.5(2) . . ?
O3 Dy3 N11 146.6(2) . . ?
O3 Dy3 N19 140.0(2) . . ?
O9 Dy3 Dy2 39.64(14) . . ?
O9 Dy3 Dy4 169.84(13) . . ?
O9 Dy3 N2 79.2(2) . . ?
O9 Dy3 N8 129.7(2) . . ?
O9 Dy3 N11 79.0(2) . . ?
O9 Dy3 N19 82.5(2) . . ?
O9 Dy3 O3 84.42(19) . . ?
O9 Dy3 O14 69.39(19) . . ?
O9 Dy3 O18 139.80(19) . . ?
O13 Dy3 Dy2 165.74(13) . . ?
O13 Dy3 Dy4 36.40(14) . . ?
O13 Dy3 N2 65.2(2) . . ?
O13 Dy3 N8 73.4(2) . . ?
O13 Dy3 N11 129.43(19) . . ?
O13 Dy3 N19 89.7(2) . . ?
O13 Dy3 O3 79.15(19) . . ?
O13 Dy3 O9 143.85(19) . . ?
O13 Dy3 O14 133.47(19) . . ?
O13 Dy3 O18 69.17(19) . . ?
O14 Dy3 Dy2 33.82(13) . . ?
O14 Dy3 Dy4 118.05(13) . . ?
O14 Dy3 N2 134.7(2) . . ?
O14 Dy3 N8 62.25(19) . . ?
O14 Dy3 N11 73.92(19) . . ?
O14 Dy3 N19 134.7(2) . . ?
O14 Dy3 O3 73.1(2) . . ?
O14 Dy3 O18 105.41(19) . . ?
O18 Dy3 Dy2 116.28(13) . . ?
O18 Dy3 Dy4 34.24(13) . . ?
O18 Dy3 N2 119.52(19) . . ?
O18 Dy3 N8 69.6(2) . . ?
O18 Dy3 N11 61.83(19) . . ?
O18 Dy3 N19 74.0(2) . . ?
O18 Dy3 O3 133.70(18) . . ?
Dy3 Dy4 Dy5 145.126(14) . . ?
N5 Dy4 Dy3 60.77(14) . . ?
N5 Dy4 Dy5 95.55(14) . . ?
N6 Dy4 Dy3 96.40(16) . . ?
N6 Dy4 Dy5 59.55(15) . . ?
N6 Dy4 N5 97.9(2) . . ?
N16 Dy4 Dy3 97.72(15) . . ?
N16 Dy4 Dy5 117.00(15) . . ?
N16 Dy4 N5 130.8(2) . . ?
N16 Dy4 N6 129.8(2) . . ?
N16 Dy4 N24 72.9(2) . . ?
N24 Dy4 Dy3 102.97(16) . . ?
N24 Dy4 Dy5 90.96(17) . . ?
N24 Dy4 N5 70.6(2) . . ?
N24 Dy4 N6 147.9(2) . . ?
O4 Dy4 Dy3 86.31(13) . . ?
O4 Dy4 Dy5 103.23(14) . . ?
O4 Dy4 N5 142.10(19) . . ?
O4 Dy4 N6 65.6(2) . . ?
O4 Dy4 N16 67.6(2) . . ?
O4 Dy4 N24 140.3(2) . . ?
O13 Dy4 Dy3 34.36(13) . . ?
O13 Dy4 Dy5 116.38(13) . . ?
O13 Dy4 N5 69.55(19) . . ?
O13 Dy4 N6 62.0(2) . . ?
O13 Dy4 N16 118.5(2) . . ?
O13 Dy4 N24 133.1(2) . . ?
O13 Dy4 O4 72.64(18) . . ?
O16 Dy4 Dy3 120.23(13) . . ?
O16 Dy4 Dy5 34.00(13) . . ?
O16 Dy4 N5 62.39(19) . . ?
O16 Dy4 N6 74.4(2) . . ?
O16 Dy4 N16 133.9(2) . . ?
O16 Dy4 N24 73.7(2) . . ?
O16 Dy4 O4 134.3(2) . . ?
O16 Dy4 O13 107.53(19) . . ?
O18 Dy4 Dy3 35.94(13) . . ?
O18 Dy4 Dy5 167.32(14) . . ?
O18 Dy4 N5 75.08(19) . . ?
O18 Dy4 N6 129.4(2) . . ?
O18 Dy4 N16 65.9(2) . . ?
O18 Dy4 N24 78.0(2) . . ?
O18 Dy4 O4 89.31(19) . . ?
O18 Dy4 O13 68.83(19) . . ?
O18 Dy4 O16 134.57(19) . . ?
O18 Dy4 O19 143.33(19) . . ?
O19 Dy4 Dy3 168.07(14) . . ?
O19 Dy4 Dy5 39.85(13) . . ?
O19 Dy4 N5 130.31(19) . . ?
O19 Dy4 N6 78.6(2) . . ?
O19 Dy4 N16 77.9(2) . . ?
O19 Dy4 N24 86.5(2) . . ?
O19 Dy4 O4 81.77(19) . . ?
O19 Dy4 O13 139.1(2) . . ?
O19 Dy4 O16 69.14(18) . . ?
Dy4 Dy5 Dy6 155.180(15) . . ?
N7 Dy5 Dy4 59.69(15) . . ?
N7 Dy5 Dy6 95.61(15) . . ?
N7 Dy5 O19 71.4(2) . . ?
N7 Dy5 O22 90.2(2) . . ?
N17 Dy5 Dy4 97.14(15) . . ?
N17 Dy5 Dy6 101.65(16) . . ?
N17 Dy5 N7 130.2(2) . . ?
N17 Dy5 O19 116.2(2) . . ?
N17 Dy5 O22 138.6(2) . . ?
N22 Dy5 Dy4 93.13(17) . . ?
N22 Dy5 Dy6 78.26(17) . . ?
N22 Dy5 N7 68.0(2) . . ?
N22 Dy5 N17 70.4(2) . . ?
N22 Dy5 O19 126.6(2) . . ?
N22 Dy5 O22 147.1(2) . . ?
O5 Dy5 Dy4 92.45(15) . . ?
O5 Dy5 Dy6 108.98(15) . . ?
O5 Dy5 N7 144.3(2) . . ?
O5 Dy5 N17 70.5(2) . . ?
O5 Dy5 N22 140.9(2) . . ?
O5 Dy5 O15 131.2(2) . . ?
O5 Dy5 O19 73.12(19) . . ?
O5 Dy5 O22 70.0(2) . . ?
O15 Dy5 Dy4 121.79(13) . . ?
O15 Dy5 Dy6 33.66(13) . . ?
O15 Dy5 N7 63.3(2) . . ?
O15 Dy5 N17 129.3(2) . . ?
O15 Dy5 N22 75.9(2) . . ?
O15 Dy5 O19 114.24(19) . . ?
O15 Dy5 O22 72.23(19) . . ?
O16 Dy5 Dy4 34.92(14) . . ?
O16 Dy5 Dy6 151.44(14) . . ?
O16 Dy5 N7 79.4(2) . . ?
O16 Dy5 N17 63.5(2) . . ?
O16 Dy5 N22 73.8(2) . . ?
O16 Dy5 O5 89.6(2) . . ?
O16 Dy5 O15 138.6(2) . . ?
O16 Dy5 O17 136.4(2) . . ?
O16 Dy5 O19 65.72(18) . . ?
O16 Dy5 O22 127.88(19) . . ?
O17 Dy5 Dy4 169.80(15) . . ?
O17 Dy5 Dy6 34.53(15) . . ?
O17 Dy5 N7 129.3(2) . . ?
O17 Dy5 N17 73.3(2) . . ?
O17 Dy5 N22 87.0(2) . . ?
O17 Dy5 O5 81.1(2) . . ?
O17 Dy5 O15 68.1(2) . . ?
O17 Dy5 O19 146.35(19) . . ?
O17 Dy5 O22 88.66(19) . . ?
O19 Dy5 Dy4 35.24(12) . . ?
O19 Dy5 Dy6 139.52(13) . . ?
O19 Dy5 O22 62.57(18) . . ?
O22 Dy5 Dy4 96.62(13) . . ?
O22 Dy5 Dy6 79.83(13) . . ?
N9 Dy6 Dy5 99.62(16) . . ?
N9 Dy6 O24 150.2(2) . . ?
N26 Dy6 Dy5 95.2(2) . . ?
N26 Dy6 N9 79.5(3) . . ?
N26 Dy6 O24 71.1(2) . . ?
O8 Dy6 Dy5 84.66(15) . . ?
O8 Dy6 N9 72.6(2) . . ?
O8 Dy6 N26 151.7(3) . . ?
O8 Dy6 O17 92.3(2) . . ?
O8 Dy6 O24 137.0(2) . . ?
O8 Dy6 O26 74.1(2) . . ?
O15 Dy6 Dy5 34.96(15) . . ?
O15 Dy6 N9 65.2(2) . . ?
O15 Dy6 N26 83.1(2) . . ?
O15 Dy6 O8 80.8(2) . . ?
O15 Dy6 O17 67.7(2) . . ?
O15 Dy6 O24 114.0(2) . . ?
O15 Dy6 O26 137.4(2) . . ?
O17 Dy6 Dy5 32.83(13) . . ?
O17 Dy6 N9 132.2(2) . . ?
O17 Dy6 N26 102.9(3) . . ?
O17 Dy6 O24 61.31(19) . . ?
O23 Dy6 Dy5 172.31(18) . . ?
O23 Dy6 N9 72.7(2) . . ?
O23 Dy6 N26 83.5(3) . . ?
O23 Dy6 O8 92.9(2) . . ?
O23 Dy6 O15 137.5(2) . . ?
O23 Dy6 O17 154.8(2) . . ?
O23 Dy6 O24 99.2(2) . . ?
O23 Dy6 O26 78.4(2) . . ?
O24 Dy6 Dy5 87.50(13) . . ?
O26 Dy6 Dy5 107.76(16) . . ?
O26 Dy6 N9 134.1(2) . . ?
O26 Dy6 N26 131.8(3) . . ?
O26 Dy6 O17 79.4(2) . . ?
O26 Dy6 O24 68.4(2) . . ?
C17 N1 N2 108.0(7) . . ?
C5 N2 Dy3 127.2(6) . . ?
C5 N2 N1 113.5(7) . . ?
N1 N2 Dy3 118.4(5) . . ?
C16 N3 N4 110.5(6) . . ?
C12 N4 Dy2 130.6(6) . . ?
C12 N4 N3 112.5(7) . . ?
N3 N4 Dy2 116.9(4) . . ?
C20 N5 Dy4 121.8(5) . . ?
N8 N5 C20 120.0(7) . . ?
N8 N5 Dy4 117.5(5) . . ?
C19 N6 Dy4 119.6(5) . . ?
N7 N6 C19 119.9(7) . . ?
N7 N6 Dy4 118.7(5) . . ?
C21 N7 Dy5 121.2(5) . . ?
N6 N7 C21 120.6(7) . . ?
N6 N7 Dy5 117.1(5) . . ?
C38 N8 Dy3 118.9(5) . . ?
C38 N8 N5 121.3(7) . . ?
N5 N8 Dy3 119.0(5) . . ?
C22 N9 Dy6 131.0(6) . . ?
C22 N9 N10 111.8(8) . . ?
N10 N9 Dy6 117.0(5) . . ?
C18 N10 N9 109.5(7) . . ?
C28 N11 Dy3 120.0(5) . . ?
N12 N11 C28 120.0(7) . . ?
N12 N11 Dy3 119.1(5) . . ?
C24 N12 Dy2 120.2(5) . . ?
C24 N12 N11 121.7(7) . . ?
N11 N12 Dy2 117.1(5) . . ?
C30 N13 Dy1 131.1(6) . . ?
C30 N13 N14 111.6(7) . . ?
N14 N13 Dy1 116.4(5) . . ?
C25 N14 N13 110.6(7) . . ?
C26 N15 N16 109.4(6) . . ?
C50 N16 Dy4 127.5(6) . . ?
C50 N16 N15 114.4(7) . . ?
N15 N16 Dy4 117.3(4) . . ?
C37 N17 Dy5 129.1(6) . . ?
C37 N17 N18 113.6(8) . . ?
N18 N17 Dy5 117.2(5) . . ?
C23 N18 N17 109.2(7) . . ?
C32 N19 Dy3 157.9(7) . . ?
C33 N20 C88 123.1(9) . . ?
C33 N20 C90 121.3(8) . . ?
C90 N20 C88 115.6(8) . . ?
C44 N21 C72 119.4(8) . . ?
C44 N21 C75 120.1(8) . . ?
C75 N21 C72 120.3(8) . . ?
C45 N22 Dy5 143.3(7) . . ?
C46 N23 Dy2 170.9(7) . . ?
C94 N24 Dy4 174.2(7) . . ?
C57 N25 C76 122.6(8) . . ?
C57 N25 C77 122.1(9) . . ?
C77 N25 C76 115.3(8) . . ?
C56 N26 Dy6 171.7(9) . . ?
C66 N27 C80 119.6(10) . . ?
C66 N27 C84 122.4(11) . . ?
C80 N27 C84 118.0(9) . . ?
C70 N28 C78 117.2(9) . . ?
C71 N28 C70 121.2(9) . . ?
C71 N28 C78 120.8(9) . . ?
C73 N29 C91 118.9(12) . . ?
C73 N29 C93 130.1(13) . . ?
C93 N29 C91 111.0(11) . . ?
C69 N30 C81 121.7(10) . . ?
C69 N30 C82 122.0(9) . . ?
C81 N30 C82 116.3(9) . . ?
C79 N31 C96 126.2(15) . . ?
C79 N31 C98 112.8(13) . . ?
C96 N31 C98 119.5(15) . . ?
C89 N32 Dy1 174.5(9) . . ?
C95 N33 C97 115.5(10) . . ?
C99 N33 C95 136(2) . . ?
C99 N33 C97 108(2) . . ?
C66 O1 Dy1 128.0(7) . . ?
C71 O2 Dy2 134.6(6) . . ?
C44 O3 Dy3 129.8(6) . . ?
C33 O4 Dy4 144.7(6) . . ?
C69 O5 Dy5 136.1(6) . . ?
C73 O7 Dy1 145.7(7) . . ?
C98 O8 Dy6 124.7(9) . . ?
C1 O9 Dy2 123.5(5) . . ?
C1 O9 Dy3 129.8(5) . . ?
Dy3 O9 Dy2 105.6(2) . . ?
C3 O10 Dy2 115.7(5) . . ?
C7 O10 C3 114.5(6) . . ?
C7 O10 Dy2 122.2(5) . . ?
C15 O11 Dy1 115.3(5) . . ?
C15 O11 Dy2 130.6(5) . . ?
Dy2 O11 Dy1 114.0(2) . . ?
C9 O12 C85 117.9(7) . . ?
C9 O12 Dy1 112.1(4) . . ?
C85 O12 Dy1 120.6(6) . . ?
C17 O13 Dy3 120.3(5) . . ?
C17 O13 Dy4 123.3(5) . . ?
Dy3 O13 Dy4 109.2(2) . . ?
C16 O14 Dy2 121.5(5) . . ?
C16 O14 Dy3 125.6(5) . . ?
Dy2 O14 Dy3 111.5(2) . . ?
C18 O15 Dy5 124.6(5) . . ?
C18 O15 Dy6 118.4(5) . . ?
Dy6 O15 Dy5 111.4(2) . . ?
C23 O16 Dy4 126.5(5) . . ?
C23 O16 Dy5 122.3(5) . . ?
Dy5 O16 Dy4 111.1(2) . . ?
C34 O17 Dy5 127.5(5) . . ?
C34 O17 Dy6 119.5(5) . . ?
Dy5 O17 Dy6 112.6(2) . . ?
C26 O18 Dy3 123.1(5) . . ?
C26 O18 Dy4 120.5(5) . . ?
Dy4 O18 Dy3 109.8(2) . . ?
C47 O19 Dy4 129.6(5) . . ?
C47 O19 Dy5 122.3(5) . . ?
Dy4 O19 Dy5 104.90(19) . . ?
C25 O20 Dy1 114.2(5) . . ?
C25 O20 Dy2 126.8(5) . . ?
Dy1 O20 Dy2 111.7(2) . . ?
C29 O21 Dy1 142.3(5) . . ?
C49 O22 C87 113.0(7) . . ?
C49 O22 Dy5 120.4(5) . . ?
C87 O22 Dy5 112.7(5) . . ?
C53 O23 Dy6 143.6(6) . . ?
C35 O24 C86 116.0(7) . . ?
C35 O24 Dy6 112.5(5) . . ?
C86 O24 Dy6 123.1(6) . . ?
C58 O25 C83 114.9(8) . . ?
C57 O26 Dy6 131.7(6) . . ?
C67 O27 C92 111.1(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
