# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_Dy@D2-C84
_database_code_depnum_ccdc_archive 'CCDC 2246929'
_audit_update_record             
;
2023-03-07 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'Dy@D2-C84 Ni(OEP)'
_chemical_name_common            'Dy@D2-C84 Ni(OEP)'
_chemical_melting_point          ?
_chemical_formula_moiety         '2(Dy C84), 2(C36 H44 N4 Ni), 3(C6 H6)'
_chemical_formula_sum            'C258 H106 Dy2 N8 Ni2 S0'
_chemical_formula_weight         3759.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1098 0.1057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1500 3.8587 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   27.0540(10)
_cell_length_b                   17.0512(6)
_cell_length_c                   17.7697(6)
_cell_angle_alpha                90
_cell_angle_beta                 106.7840(10)
_cell_angle_gamma                90
_cell_volume                     7848.0(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9621
_cell_measurement_theta_min      2.726
_cell_measurement_theta_max      26.124

_exptl_crystal_description       Block
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_F_000             3796
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.996
_shelx_estimated_absorpt_T_min   0.4602
_shelx_estimated_absorpt_T_max   0.7453
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5694
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.6525
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SSRF, Beamline BL17B'
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49361
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.099
_diffrn_reflns_theta_max         23.168
_diffrn_reflns_theta_full        23.048
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             7351
_reflns_number_gt                5656
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0856P)²+204.6702P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7351
_refine_ls_number_parameters     803
_refine_ls_number_restraints     1070
_refine_ls_R_factor_all          0.2037
_refine_ls_R_factor_gt           0.1727
_refine_ls_wR_factor_ref         0.3734
_refine_ls_wR_factor_gt          0.3521
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.26821(18) 0.4551(4) 0.1662(4) 0.122(2) Uani 0.144 1 d . U P A 1
Dy2 Dy 0.25179(13) 0.4332(3) 0.2476(2) 0.0630(11) Uani 0.122 1 d . U P A 1
Dy3 Dy 0.2489(3) 0.4489(6) 0.1211(5) 0.092(2) Uani 0.085 1 d . U P A 1
Dy4 Dy 0.1557(4) 0.509(5) 0.0804(5) 0.085(14) Uani 0.081 1 d . U P A 1
Dy5 Dy 0.2223(8) 0.5000 0.2796(8) 0.132(6) Uani 0.066 2 d S TU P A 1
Dy6 Dy 0.1592(15) 0.454(3) 0.0975(19) 0.114(14) Uani 0.035 1 d . U P A 1
C1 C 0.34989(14) 0.4841(4) 0.3133(3) 0.080(4) Uani 0.5 1 d G U P A -1
C2 C 0.32531(18) 0.5290(4) 0.3625(2) 0.086(5) Uani 0.5 1 d G U P A -1
C3 C 0.2967(2) 0.4776(4) 0.40082(19) 0.090(5) Uani 0.5 1 d DG U P A -1
C4 C 0.3030(2) 0.4011(4) 0.3731(3) 0.113(6) Uani 0.5 1 d DG U P A -1
C5 C 0.33878(17) 0.4042(4) 0.3216(3) 0.094(5) Uani 0.5 1 d G U P A -1
C6 C 0.33778(18) 0.3573(4) 0.2651(4) 0.101(6) Uani 0.5 1 d G U P A -1
C7 C 0.34477(17) 0.3851(4) 0.1868(4) 0.099(5) Uani 0.5 1 d G U P A -1
C8 C 0.36343(14) 0.4636(4) 0.1862(4) 0.086(5) Uani 0.5 1 d G U P A -1
C9 C 0.36213(11) 0.5174(4) 0.2487(3) 0.079(4) Uani 0.5 1 d G U P A -1
C10 C 0.34711(14) 0.6093(4) 0.2296(4) 0.086(5) Uani 0.5 1 d DG U P A -1
C11 C 0.32189(17) 0.6436(4) 0.2828(3) 0.095(5) Uani 0.5 1 d DG U P A -1
C12 C 0.3111(2) 0.6174(4) 0.3517(3) 0.090(5) Uani 0.5 1 d G U P A -1
C13 C 0.2658(2) 0.6230(4) 0.3798(2) 0.111(6) Uani 0.5 1 d G U P A -1
C14 C 0.2344(3) 0.5664(4) 0.4053(2) 0.112(6) Uani 0.5 1 d DG U P A -1
C15 C 0.2531(3) 0.4887(5) 0.42263(18) 0.106(5) Uani 0.5 1 d DG U P A -1
C16 C 0.2120(3) 0.4339(5) 0.4032(2) 0.115(5) Uani 0.5 1 d DG U P A -1
C17 C 0.2176(2) 0.3628(4) 0.3697(3) 0.111(5) Uani 0.5 1 d DG U P A -1
C18 C 0.2662(2) 0.3413(4) 0.3545(3) 0.106(5) Uani 0.5 1 d DG U P A -1
C19 C 0.2658(2) 0.2954(3) 0.2867(4) 0.108(6) Uani 0.5 1 d G U P A -1
C20 C 0.2993(2) 0.3032(3) 0.2368(4) 0.105(6) Uani 0.5 1 d G U P A -1
C21 C 0.2713(2) 0.2906(3) 0.1564(4) 0.121(6) Uani 0.5 1 d G U P A -1
C22 C 0.2739(2) 0.3153(4) 0.0898(4) 0.122(6) Uani 0.5 1 d DG U P A -1
C23 C 0.3196(2) 0.3636(4) 0.1063(4) 0.113(6) Uani 0.5 1 d DG U P A -1
C24 C 0.3194(2) 0.4304(5) 0.0568(3) 0.112(6) Uani 0.5 1 d DG U P A -1
C25 C 0.35157(17) 0.4888(5) 0.1060(4) 0.100(5) Uani 0.5 1 d G U P A -1
C26 C 0.33907(18) 0.5699(5) 0.0885(4) 0.100(5) Uani 0.5 1 d G U P A -1
C27 C 0.34168(16) 0.6208(4) 0.1546(4) 0.092(5) Uani 0.5 1 d G U P A -1
C28 C 0.3032(2) 0.6844(4) 0.1232(4) 0.104(5) Uani 0.5 1 d G U P A -1
C29 C 0.2773(2) 0.7249(3) 0.1676(4) 0.110(6) Uani 0.5 1 d G U P A -1
C30 C 0.2885(2) 0.7078(3) 0.2491(4) 0.100(6) Uani 0.5 1 d G U P A -1
C31 C 0.2423(2) 0.7197(3) 0.2719(4) 0.113(6) Uani 0.5 1 d G U P A -1
C32 C 0.2281(2) 0.6808(4) 0.3315(3) 0.118(6) Uani 0.5 1 d G U P A -1
C33 C 0.1759(2) 0.6601(4) 0.3202(3) 0.118(6) Uani 0.5 1 d DG U P A -1
C34 C 0.1470(2) 0.5980(5) 0.3407(3) 0.129(6) Uani 0.5 1 d DG U P A -1
C35 C 0.1805(3) 0.5561(5) 0.3963(3) 0.139(6) Uani 0.5 1 d DG U P A -1
C36 C 0.1646(3) 0.4764(5) 0.3819(3) 0.117(6) Uani 0.5 1 d DG U P A -1
C37 C 0.1224(2) 0.4465(5) 0.3270(4) 0.111(5) Uani 0.5 1 d G U P A -1
C38 C 0.1283(2) 0.3756(4) 0.2954(4) 0.137(6) Uani 0.5 1 d G U P A -1
C39 C 0.1743(2) 0.3305(4) 0.3148(4) 0.134(7) Uani 0.5 1 d G U P A -1
C40 C 0.1752(2) 0.2864(3) 0.2474(4) 0.142(7) Uani 0.5 1 d G U P A -1
C41 C 0.2195(3) 0.2633(3) 0.2343(4) 0.132(7) Uani 0.5 1 d G U P A -1
C42 C 0.2199(3) 0.2669(3) 0.1544(4) 0.128(7) Uani 0.5 1 d G U P A -1
C43 C 0.1749(3) 0.2797(3) 0.0920(4) 0.125(6) Uani 0.5 1 d G U P A -1
C44 C 0.1804(3) 0.3103(4) 0.0221(3) 0.127(6) Uani 0.5 1 d G U P A -1
C45 C 0.2323(3) 0.3282(4) 0.0213(3) 0.125(6) Uani 0.5 1 d DG U P A -1
C46 C 0.2314(3) 0.3947(5) -0.0274(3) 0.124(6) Uani 0.5 1 d DG U P A -1
C47 C 0.2763(3) 0.4449(5) -0.0100(3) 0.120(6) Uani 0.5 1 d DG U P A -1
C48 C 0.2626(2) 0.5270(5) -0.0273(3) 0.124(6) Uani 0.5 1 d G U P A -1
C49 C 0.2983(2) 0.5922(5) 0.0267(3) 0.108(6) Uani 0.5 1 d G U P A -1
C50 C 0.2765(2) 0.6569(4) 0.0458(3) 0.108(6) Uani 0.5 1 d G U P A -1
C51 C 0.2224(2) 0.6637(4) 0.0154(3) 0.111(6) Uani 0.5 1 d G U P A -1
C52 C 0.1987(2) 0.7097(4) 0.0630(3) 0.104(5) Uani 0.5 1 d G U P A -1
C53 C 0.2229(2) 0.7386(3) 0.1366(4) 0.110(6) Uani 0.5 1 d G U P A -1
C54 C 0.2003(2) 0.7347(3) 0.2007(4) 0.098(6) Uani 0.5 1 d G U P A -1
C55 C 0.1539(2) 0.7221(3) 0.1849(4) 0.099(6) Uani 0.5 1 d G U P A -1
C56 C 0.1411(2) 0.6863(4) 0.2463(4) 0.112(6) Uani 0.5 1 d DG U P A -1
C57 C 0.09664(19) 0.6356(4) 0.2224(4) 0.123(6) Uani 0.5 1 d DG U P A -1
C58 C 0.1014(2) 0.5757(5) 0.2811(4) 0.110(5) Uani 0.5 1 d DG U P A -1
C59 C 0.08425(19) 0.4960(5) 0.2743(4) 0.117(5) Uani 0.5 1 d DG U P A -1
C60 C 0.05942(15) 0.4729(5) 0.1977(4) 0.122(6) Uani 0.5 1 d DG U P A -1
C61 C 0.06226(16) 0.3993(5) 0.1670(4) 0.130(6) Uani 0.5 1 d DG U P A -1
C62 C 0.10067(19) 0.3594(4) 0.2160(4) 0.147(7) Uani 0.5 1 d DG U P A -1
C63 C 0.1297(2) 0.3042(4) 0.1863(4) 0.134(7) Uani 0.5 1 d G U P A -1
C64 C 0.1269(2) 0.2976(4) 0.1061(4) 0.125(7) Uani 0.5 1 d DG U P A -1
C65 C 0.0926(2) 0.3500(4) 0.0555(4) 0.126(6) Uani 0.5 1 d DG U P A -1
C66 C 0.0973(2) 0.3949(5) -0.0101(3) 0.122(6) Uani 0.5 1 d DG U P A -1
C67 C 0.1465(2) 0.3688(4) -0.0206(3) 0.133(7) Uani 0.5 1 d G U P A -1
C68 C 0.1780(3) 0.4144(5) -0.0574(2) 0.139(7) Uani 0.5 1 d G U P A -1
C69 C 0.1668(3) 0.4913(5) -0.07772(18) 0.151(6) Uani 0.5 1 d G U P A -1
C70 C 0.2091(3) 0.5439(5) -0.0594(2) 0.109(6) Uani 0.5 1 d G U P A -1
C71 C 0.1892(2) 0.6147(5) -0.0384(2) 0.115(6) Uani 0.5 1 d G U P A -1
C72 C 0.1368(2) 0.6026(5) -0.0429(2) 0.119(6) Uani 0.5 1 d G U P A -1
C73 C 0.1131(2) 0.6492(4) -0.0001(3) 0.109(6) Uani 0.5 1 d DG U P A -1
C74 C 0.1455(2) 0.7038(4) 0.0481(4) 0.097(5) Uani 0.5 1 d G U P A -1
C75 C 0.1205(2) 0.6983(4) 0.1071(4) 0.093(5) Uani 0.5 1 d G U P A -1
C76 C 0.08100(16) 0.6507(4) 0.0968(4) 0.100(5) Uani 0.5 1 d G U P A -1
C77 C 0.07414(15) 0.6107(4) 0.1662(4) 0.106(5) Uani 0.5 1 d G U P A -1
C78 C 0.05103(12) 0.5251(5) 0.1341(4) 0.123(6) Uani 0.5 1 d G U P A -1
C79 C 0.04988(12) 0.4815(5) 0.0675(4) 0.126(6) Uani 0.5 1 d G U P A -1
C80 C 0.06211(15) 0.4048(5) 0.0897(4) 0.124(6) Uani 0.5 1 d G U P A -1
C81 C 0.06244(15) 0.5311(5) 0.0120(3) 0.114(6) Uani 0.5 1 d DG U P A -1
C82 C 0.07656(16) 0.6076(5) 0.0292(3) 0.107(6) Uani 0.5 1 d DG U P A -1
C83 C 0.08428(19) 0.4716(5) -0.0284(3) 0.118(6) Uani 0.5 1 d DG U P A -1
C84 C 0.1233(2) 0.5253(5) -0.0622(2) 0.124(6) Uani 0.5 1 d G U P A -1
Ni1A Ni 0.45177(5) 0.5000 0.41252(7) 0.0623(6) Uani 1 2 d S T P B 2
N2A N 0.4322(3) 0.5813(7) 0.4760(4) 0.068(2) Uani 1 1 d . U . B 2
C3A C 0.4948(5) 0.5000 0.2518(6) 0.0705(17) Uani 1 2 d S TU P B 2
H3A H 0.5071 0.5000 0.2069 0.085 Uiso 1 2 calc R U P B 2
C4A C 0.4868(3) 0.5729(8) 0.2810(4) 0.0705(16) Uani 1 1 d . U . B 2
C5A C 0.4936(3) 0.6452(8) 0.2479(4) 0.0713(17) Uani 1 1 d . U . B 2
C6A C 0.5114(4) 0.6595(9) 0.1753(5) 0.078(3) Uani 1 1 d . U . B 2
H6AA H 0.5310 0.7093 0.1821 0.094 Uiso 1 1 calc R U . B 2
H6AB H 0.5352 0.6167 0.1707 0.094 Uiso 1 1 calc R U . B 2
C7A C 0.4682(4) 0.6636(10) 0.1010(5) 0.094(4) Uani 1 1 d . U . B 2
H7AA H 0.4822 0.6734 0.0567 0.142 Uiso 1 1 calc R U . B 2
H7AB H 0.4448 0.7064 0.1046 0.142 Uiso 1 1 calc R U . B 2
H7AC H 0.4493 0.6139 0.0927 0.142 Uiso 1 1 calc R U . B 2
C8A C 0.4817(4) 0.7015(9) 0.2929(5) 0.079(2) Uani 1 1 d . U . B 2
C9A C 0.4790(5) 0.7909(9) 0.2812(6) 0.090(3) Uani 1 1 d . U . B 2
H9AA H 0.4928 0.8163 0.3331 0.108 Uiso 1 1 calc R U . B 2
H9AB H 0.5019 0.8056 0.2488 0.108 Uiso 1 1 calc R U . B 2
C10A C 0.4254(6) 0.8234(9) 0.2423(7) 0.105(4) Uani 1 1 d . U . B 2
H10A H 0.4274 0.8804 0.2369 0.158 Uiso 1 1 calc R U . B 2
H10B H 0.4026 0.8110 0.2747 0.158 Uiso 1 1 calc R U . B 2
H10C H 0.4116 0.7997 0.1901 0.158 Uiso 1 1 calc R U . B 2
C11A C 0.4660(4) 0.6616(9) 0.3546(5) 0.075(2) Uani 1 1 d . U . B 2
C12A C 0.4494(4) 0.6996(9) 0.4106(5) 0.081(2) Uani 1 1 d . U . B 2
H12A H 0.4489 0.7553 0.4109 0.097 Uiso 1 1 calc R U . B 2
C13A C 0.4330(4) 0.6583(9) 0.4679(5) 0.076(2) Uani 1 1 d . U . B 2
C14A C 0.4143(4) 0.7000(9) 0.5263(5) 0.082(2) Uani 1 1 d . U . B 2
C15A C 0.4083(5) 0.7880(9) 0.5297(6) 0.094(3) Uani 1 1 d . U . B 2
H15A H 0.4383 0.8133 0.5183 0.113 Uiso 1 1 calc R U . B 2
H15B H 0.4088 0.8029 0.5837 0.113 Uiso 1 1 calc R U . B 2
C16A C 0.3588(6) 0.8198(9) 0.4723(7) 0.109(4) Uani 1 1 d . U . B 2
H16A H 0.3590 0.8087 0.4182 0.164 Uiso 1 1 calc R U . B 2
H16B H 0.3569 0.8766 0.4793 0.164 Uiso 1 1 calc R U . B 2
H16C H 0.3288 0.7946 0.4824 0.164 Uiso 1 1 calc R U . B 2
C17A C 0.4009(4) 0.6431(8) 0.5689(5) 0.074(2) Uani 1 1 d . U . B 2
C18A C 0.3768(4) 0.6536(8) 0.6353(5) 0.073(3) Uani 1 1 d . U . B 2
H18A H 0.3839 0.7074 0.6568 0.088 Uiso 1 1 calc R U . B 2
H18B H 0.3927 0.6162 0.6781 0.088 Uiso 1 1 calc R U . B 2
C19A C 0.3170(4) 0.6397(8) 0.6067(5) 0.070(3) Uani 1 1 d . U . B 2
H19A H 0.3015 0.6742 0.5620 0.105 Uiso 1 1 calc R U . B 2
H19B H 0.3022 0.6512 0.6496 0.105 Uiso 1 1 calc R U . B 2
H19C H 0.3101 0.5849 0.5904 0.105 Uiso 1 1 calc R U . B 2
C20A C 0.4116(3) 0.5716(8) 0.5392(4) 0.0650(19) Uani 1 1 d . U . B 2
C21A C 0.4035(5) 0.5000 0.5679(6) 0.065(2) Uani 1 2 d S TU P B 2
H21A H 0.3908 0.5000 0.6124 0.078 Uiso 1 2 calc R U P B 2
N1A N 0.4690(3) 0.5817(7) 0.3476(3) 0.069(2) Uani 1 1 d . U . B 2
C1B C 0.1595(8) 0.0000 0.2036(11) 0.098(6) Uani 1 2 d S TU P C 3
H1B H 0.1829 0.0000 0.2550 0.117 Uiso 1 2 calc R U P C 3
C2B C 0.1411(6) -0.0690(8) 0.1632(7) 0.095(4) Uani 1 1 d . U . C 3
H2B H 0.1522 -0.1173 0.1892 0.114 Uiso 1 1 calc R U . C 3
C3B C 0.1094(5) -0.0719(8) 0.0917(6) 0.085(3) Uani 1 1 d . U . C 3
H3B H 0.0994 -0.1206 0.0657 0.102 Uiso 1 1 calc R U . C 3
C4B C 0.0906(7) 0.0000 0.0547(9) 0.090(5) Uani 1 2 d S TU P C 3
H4B H 0.0654 0.0000 0.0048 0.108 Uiso 1 2 calc R U P C 3
C1E C 0.4514(10) 1.0000 0.4470(16) 0.119(7) Uani 1 2 d S TU P D 4
H1E H 0.4175 1.0000 0.4117 0.143 Uiso 1 2 calc R U P D 4
C2E C 0.4605(9) 1.0000 0.5289(14) 0.098(5) Uani 1 2 d S TU P D 4
H2E H 0.4312 1.0000 0.5483 0.118 Uiso 1 2 calc R U P D 4
C3E C 0.5047(10) 1.0000 0.5792(13) 0.095(5) Uani 1 2 d S TU P D 4
H3E H 0.5078 1.0000 0.6338 0.114 Uiso 1 2 calc R U P D 4


_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 Dy3 0.827(8) . ?
Dy1 Dy1 1.532(14) 6_565 ?
Dy1 Dy2 1.674(9) . ?
Dy1 Dy3 1.830(10) 6_565 ?
Dy1 C7 2.325(6) . ?
Dy1 C8 2.501(6) . ?
Dy1 Dy2 2.508(7) 6_565 ?
Dy1 C23 2.520(7) . ?
Dy1 C24 2.724(8) . ?
Dy1 C6 2.739(8) . ?
Dy1 C9 2.754(7) . ?
Dy1 Dy5 2.764(19) . ?
Dy2 Dy5 1.587(14) . ?
Dy2 Dy3 2.242(10) . ?
Dy2 Dy2 2.278(9) 6_565 ?
Dy2 C4 2.325(5) . ?
Dy2 C5 2.393(5) . ?
Dy2 C18 2.407(6) . ?
Dy2 C19 2.448(7) . ?
Dy2 Dy1 2.508(7) 6_565 ?
Dy2 C20 2.597(7) . ?
Dy2 C6 2.601(5) . ?
Dy2 C1 2.715(6) . ?
Dy3 Dy3 1.74(2) 6_565 ?
Dy3 Dy1 1.830(10) 6_565 ?
Dy3 Dy6 2.34(4) . ?
Dy3 C23 2.478(9) . ?
Dy3 C22 2.486(10) . ?
Dy3 C24 2.510(8) . ?
Dy3 Dy4 2.51(3) 6_565 ?
Dy3 Dy4 2.62(4) . ?
Dy3 C47 2.642(9) . ?
Dy3 C45 2.670(10) . ?
Dy4 Dy4 0.32(18) 6_565 ?
Dy4 Dy6 0.69(8) 6_565 ?
Dy4 Dy6 0.99(12) . ?
Dy4 C83 2.39(3) . ?
Dy4 C84 2.444(13) . ?
Dy4 C81 2.492(15) . ?
Dy4 Dy3 2.51(3) 6_565 ?
Dy4 C72 2.63(5) . ?
Dy4 C82 2.66(6) . ?
Dy4 C66 2.73(7) . ?
Dy4 C73 2.85(8) . ?
Dy5 Dy2 1.587(15) 6_565 ?
Dy5 C14 2.440(13) . ?
Dy5 C15 2.443(14) . ?
Dy5 C3 2.517(17) . ?
Dy5 C16 2.555(14) . ?
Dy5 C36 2.747(19) . ?
Dy5 Dy1 2.764(19) 6_565 ?
Dy5 C13 2.782(12) . ?
Dy5 C2 2.79(2) . ?
Dy5 C35 2.802(17) . ?
Dy6 Dy4 0.69(8) 6_565 ?
Dy6 Dy6 1.58(11) 6_565 ?
Dy6 C66 2.37(4) . ?
Dy6 C65 2.48(5) . ?
Dy6 C67 2.49(5) . ?
Dy6 C83 2.57(3) . ?
Dy6 C80 2.72(4) . ?
Dy6 C64 2.82(5) . ?
Dy6 Dy3 2.87(5) 6_565 ?
C1 C9 1.4034 . ?
C1 C5 1.4122 . ?
C1 C2 1.4582 . ?
C2 C3 1.4595 . ?
C2 C12 1.5551 . ?
C3 C15 1.3590 . ?
C3 C4 1.4229 . ?
C4 C18 1.3967 . ?
C4 C5 1.5119 . ?
C5 C6 1.2775 . ?
C6 C20 1.3734 . ?
C6 C7 1.5320 . ?
C7 C8 1.4308 . ?
C7 C23 1.4437 . ?
C8 C25 1.4327 . ?
C8 C9 1.4498 . ?
C9 C10 1.6298 . ?
C10 C27 1.3121 . ?
C10 C11 1.4402 . ?
C11 C12 1.4096 . ?
C11 C30 1.4359 . ?
C12 C13 1.4543 . ?
C13 C14 1.4418 . ?
C13 C32 1.4970 . ?
C14 C15 1.4198 . ?
C14 C35 1.4311 . ?
C15 C16 1.4162 . ?
C16 C17 1.3777 . ?
C16 C36 1.4274 . ?
C17 C39 1.4023 . ?
C17 C18 1.4628 . ?
C18 C19 1.4351 . ?
C19 C41 1.4351 . ?
C19 C20 1.4448 . ?
C20 C21 1.4270 . ?
C21 C22 1.2772 . ?
C21 C42 1.4401 . ?
C22 C45 1.4176 . ?
C22 C23 1.4425 . ?
C23 C24 1.4378 . ?
C24 C47 1.4239 . ?
C24 C25 1.4414 . ?
C25 C26 1.4368 . ?
C26 C49 1.3672 . ?
C26 C27 1.4460 . ?
C27 C28 1.4950 . ?
C28 C29 1.3814 . ?
C28 C50 1.4349 . ?
C29 C30 1.4214 . ?
C29 C53 1.4334 . ?
C30 C31 1.4359 . ?
C31 C32 1.3939 . ?
C31 C54 1.4596 . ?
C32 C33 1.4114 . ?
C33 C34 1.4266 . ?
C33 C56 1.4472 . ?
C34 C35 1.3379 . ?
C34 C58 1.4264 . ?
C35 C36 1.4256 . ?
C36 C37 1.3678 . ?
C37 C38 1.3612 . ?
C37 C59 1.4472 . ?
C38 C39 1.4199 . ?
C38 C62 1.4201 . ?
C39 C40 1.4200 . ?
C40 C41 1.3450 . ?
C40 C63 1.4201 . ?
C41 C42 1.4228 . ?
C42 C43 1.4075 . ?
C43 C44 1.3955 . ?
C43 C64 1.4225 . ?
C44 C67 1.4178 . ?
C44 C45 1.4396 . ?
C45 C46 1.4227 . ?
C46 C68 1.4286 . ?
C46 C47 1.4445 . ?
C47 C48 1.4577 . ?
C48 C70 1.4237 . ?
C48 C49 1.5986 . ?
C49 C50 1.3405 . ?
C50 C51 1.4097 . ?
C51 C71 1.3865 . ?
C51 C52 1.4334 . ?
C52 C53 1.3728 . ?
C52 C74 1.3916 . ?
C53 C54 1.4419 . ?
C54 C55 1.2246 . ?
C55 C56 1.3790 . ?
C55 C75 1.4729 . ?
C56 C57 1.4415 . ?
C57 C77 1.0944 . ?
C57 C58 1.4392 . ?
C58 C59 1.4297 . ?
C59 C60 1.3902 . ?
C60 C61 1.3781 . ?
C60 C78 1.4049 . ?
C61 C62 1.3330 . ?
C61 C80 1.3754 . ?
C62 C63 1.4199 . ?
C63 C64 1.4101 . ?
C64 C65 1.4098 . ?
C65 C66 1.4311 . ?
C65 C80 1.4873 . ?
C66 C83 1.3687 . ?
C66 C67 1.4663 . ?
C67 C68 1.4419 . ?
C68 C69 1.3697 . ?
C69 C84 1.4076 . ?
C69 C70 1.4151 . ?
C70 C71 1.4153 . ?
C71 C72 1.4127 . ?
C72 C73 1.3788 . ?
C72 C84 1.3844 . ?
C73 C74 1.3917 . ?
C73 C82 1.4309 . ?
C73 C75 2.0379 . ?
C74 C75 1.4052 . ?
C75 C76 1.3112 . ?
C76 C82 1.3825 . ?
C76 C77 1.4680 . ?
C77 C78 1.6249 . ?
C78 C79 1.3908 . ?
C79 C80 1.3789 . ?
C79 C81 1.4133 . ?
C81 C82 1.3697 . ?
C81 C83 1.4619 . ?
C83 C84 1.6375 . ?
Ni1A N1A 1.948(9) . ?
Ni1A N1A 1.948(9) 6_565 ?
Ni1A N2A 1.954(9) . ?
Ni1A N2A 1.954(9) 6_565 ?
N2A C13A 1.322(16) . ?
N2A C20A 1.399(9) . ?
C3A C4A 1.388(13) . ?
C3A C4A 1.388(13) 6_565 ?
C4A C5A 1.402(17) . ?
C4A N1A 1.407(9) . ?
C5A C8A 1.346(17) . ?
C5A C6A 1.523(10) . ?
C6A C7A 1.491(13) . ?
C8A C11A 1.453(13) . ?
C8A C9A 1.54(2) . ?
C9A C10A 1.52(2) . ?
C11A C12A 1.367(14) . ?
C11A N1A 1.373(16) . ?
C12A C13A 1.411(14) . ?
C13A C14A 1.465(14) . ?
C14A C17A 1.344(17) . ?
C14A C15A 1.51(2) . ?
C15A C16A 1.53(2) . ?
C17A C20A 1.391(17) . ?
C17A C18A 1.515(10) . ?
C18A C19A 1.567(13) . ?
C20A C21A 1.366(12) . ?
C21A C20A 1.366(12) 6_565 ?
C1B C2B 1.394(15) 6 ?
C1B C2B 1.394(15) . ?
C2B C3B 1.312(16) . ?
C3B C4B 1.414(16) . ?
C4B C3B 1.414(16) 6 ?
C1E C3E 1.40(3) 5_676 ?
C1E C2E 1.41(3) . ?
C2E C3E 1.27(3) . ?
C3E C1E 1.40(3) 5_676 ?

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
Dy3 Dy1 Dy1 97.3(10) . 6_565 ?
Dy3 Dy1 Dy2 123.9(10) . . ?
Dy1 Dy1 Dy2 102.9(3) 6_565 . ?
Dy3 Dy1 Dy3 70.7(12) . 6_565 ?
Dy1 Dy1 Dy3 26.6(3) 6_565 6_565 ?
Dy2 Dy1 Dy3 117.6(4) . 6_565 ?
Dy3 Dy1 C7 112.0(8) . . ?
Dy1 Dy1 C7 120.9(3) 6_565 . ?
Dy2 Dy1 C7 101.3(4) . . ?
Dy3 Dy1 C7 131.0(5) 6_565 . ?
Dy3 Dy1 C8 118.9(9) . . ?
Dy1 Dy1 C8 86.7(2) 6_565 . ?
Dy2 Dy1 C8 114.2(3) . . ?
Dy3 Dy1 C8 99.4(5) 6_565 . ?
C7 Dy1 C8 34.25(8) . . ?
Dy3 Dy1 Dy2 119.1(8) . 6_565 ?
Dy1 Dy1 Dy2 40.6(2) 6_565 6_565 ?
Dy2 Dy1 Dy2 62.3(3) . 6_565 ?
Dy3 Dy1 Dy2 59.8(3) 6_565 6_565 ?
C7 Dy1 Dy2 126.6(3) . 6_565 ?
C8 Dy1 Dy2 102.8(3) . 6_565 ?
Dy3 Dy1 C23 77.6(7) . . ?
Dy1 Dy1 C23 128.3(3) 6_565 . ?
Dy2 Dy1 C23 122.9(4) . . ?
Dy3 Dy1 C23 119.5(5) 6_565 . ?
C7 Dy1 C23 34.37(9) . . ?
C8 Dy1 C23 54.90(12) . . ?
Dy2 Dy1 C23 157.6(3) 6_565 . ?
Dy3 Dy1 C24 66.4(8) . . ?
Dy1 Dy1 C24 98.9(2) 6_565 . ?
Dy2 Dy1 C24 154.0(4) . . ?
Dy3 Dy1 C24 88.1(5) 6_565 . ?
C7 Dy1 C24 54.60(14) . . ?
C8 Dy1 C24 52.84(13) . . ?
Dy2 Dy1 C24 137.7(4) 6_565 . ?
C23 Dy1 C24 31.52(9) . . ?
Dy3 Dy1 C6 132.1(10) . . ?
Dy1 Dy1 C6 127.5(2) 6_565 . ?
Dy2 Dy1 C6 67.3(3) . . ?
Dy3 Dy1 C6 151.8(4) 6_565 . ?
C7 Dy1 C6 33.99(11) . . ?
C8 Dy1 C6 56.99(13) . . ?
Dy2 Dy1 C6 107.2(3) 6_565 . ?
C23 Dy1 C6 62.21(16) . . ?
C24 Dy1 C6 88.13(17) . . ?
Dy3 Dy1 C9 142.5(11) . . ?
Dy1 Dy1 C9 67.3(2) 6_565 . ?
Dy2 Dy1 C9 93.4(3) . . ?
Dy3 Dy1 C9 89.5(4) 6_565 . ?
C7 Dy1 C9 58.07(13) . . ?
C8 Dy1 C9 31.56(8) . . ?
Dy2 Dy1 C9 71.9(2) 6_565 . ?
C23 Dy1 C9 85.83(16) . . ?
C24 Dy1 C9 81.91(18) . . ?
C6 Dy1 C9 62.32(14) . . ?
Dy3 Dy1 Dy5 116.7(8) . . ?
Dy1 Dy1 Dy5 73.91(19) 6_565 . ?
Dy2 Dy1 Dy5 31.1(2) . . ?
Dy3 Dy1 Dy5 86.5(4) 6_565 . ?
C7 Dy1 Dy5 126.5(5) . . ?
C8 Dy1 Dy5 122.8(5) . . ?
Dy2 Dy1 Dy5 34.6(2) 6_565 . ?
C23 Dy1 Dy5 153.9(4) . . ?
C24 Dy1 Dy5 172.3(4) . . ?
C6 Dy1 Dy5 94.0(4) . . ?
C9 Dy1 Dy5 92.5(4) . . ?
Dy5 Dy2 Dy1 115.9(6) . . ?
Dy5 Dy2 Dy3 113.4(5) . . ?
Dy1 Dy2 Dy3 17.8(3) . . ?
Dy5 Dy2 Dy2 44.1(5) . 6_565 ?
Dy1 Dy2 Dy2 77.1(3) . 6_565 ?
Dy3 Dy2 Dy2 83.1(3) . 6_565 ?
Dy5 Dy2 C4 92.7(6) . . ?
Dy1 Dy2 C4 130.4(3) . . ?
Dy3 Dy2 C4 145.9(3) . . ?
Dy2 Dy2 C4 103.6(2) 6_565 . ?
Dy5 Dy2 C5 117.9(7) . . ?
Dy1 Dy2 C5 93.3(3) . . ?
Dy3 Dy2 C5 108.7(3) . . ?
Dy2 Dy2 C5 101.9(2) 6_565 . ?
C4 Dy2 C5 37.35(7) . . ?
Dy5 Dy2 C18 99.7(5) . . ?
Dy1 Dy2 C18 143.6(4) . . ?
Dy3 Dy2 C18 145.1(4) . . ?
Dy2 Dy2 C18 130.6(2) 6_565 . ?
C4 Dy2 C18 34.28(7) . . ?
C5 Dy2 C18 61.45(12) . . ?
Dy5 Dy2 C19 129.8(5) . . ?
Dy1 Dy2 C19 113.6(4) . . ?
Dy3 Dy2 C19 110.9(4) . . ?
Dy2 Dy2 C19 163.68(18) 6_565 . ?
C4 Dy2 C19 60.10(14) . . ?
C5 Dy2 C19 66.34(14) . . ?
C18 Dy2 C19 34.37(9) . . ?
Dy5 Dy2 Dy1 81.5(5) . 6_565 ?
Dy1 Dy2 Dy1 36.5(4) . 6_565 ?
Dy3 Dy2 Dy1 44.9(3) . 6_565 ?
Dy2 Dy2 Dy1 40.6(2) 6_565 6_565 ?
C4 Dy2 Dy1 125.2(3) . 6_565 ?
C5 Dy2 Dy1 99.5(2) . 6_565 ?
C18 Dy2 Dy1 159.2(3) . 6_565 ?
C19 Dy2 Dy1 148.6(3) . 6_565 ?
Dy5 Dy2 C20 161.7(5) . . ?
Dy1 Dy2 C20 82.3(3) . . ?
Dy3 Dy2 C20 84.5(3) . . ?
Dy2 Dy2 C20 148.60(17) 6_565 . ?
C4 Dy2 C20 72.48(15) . . ?
C5 Dy2 C20 55.59(12) . . ?
C18 Dy2 C20 62.06(15) . . ?
C19 Dy2 C20 33.11(9) . . ?
Dy1 Dy2 C20 115.6(3) 6_565 . ?
Dy5 Dy2 C6 147.0(7) . . ?
Dy1 Dy2 C6 76.3(3) . . ?
Dy3 Dy2 C6 87.2(3) . . ?
Dy2 Dy2 C6 119.83(19) 6_565 . ?
C4 Dy2 C6 60.22(11) . . ?
C5 Dy2 C6 29.27(6) . . ?
C18 Dy2 C6 69.29(14) . . ?
C19 Dy2 C6 55.18(13) . . ?
Dy1 Dy2 C6 98.4(2) 6_565 . ?
C20 Dy2 C6 30.64(7) . . ?
Dy5 Dy2 C1 98.4(7) . . ?
Dy1 Dy2 C1 80.2(3) . . ?
Dy3 Dy2 C1 98.1(3) . . ?
Dy2 Dy2 C1 71.36(17) 6_565 . ?
C4 Dy2 C1 54.91(11) . . ?
C5 Dy2 C1 31.30(7) . . ?
C18 Dy2 C1 87.32(14) . . ?
C19 Dy2 C1 97.64(16) . . ?
Dy1 Dy2 C1 72.0(2) 6_565 . ?
C20 Dy2 C1 82.03(14) . . ?
C6 Dy2 C1 51.54(9) . . ?
Dy1 Dy3 Dy3 82.7(10) . 6_565 ?
Dy1 Dy3 Dy1 56.1(9) . 6_565 ?
Dy3 Dy3 Dy1 26.6(3) 6_565 6_565 ?
Dy1 Dy3 Dy2 38.3(8) . . ?
Dy3 Dy3 Dy2 96.9(3) 6_565 . ?
Dy1 Dy3 Dy2 75.3(3) 6_565 . ?
Dy1 Dy3 Dy6 120.2(12) . . ?
Dy3 Dy3 Dy6 88.0(13) 6_565 . ?
Dy1 Dy3 Dy6 101.4(14) 6_565 . ?
Dy2 Dy3 Dy6 85.3(8) . . ?
Dy1 Dy3 C23 83.4(8) . . ?
Dy3 Dy3 C23 126.0(3) 6_565 . ?
Dy1 Dy3 C23 116.1(5) 6_565 . ?
Dy2 Dy3 C23 103.4(4) . . ?
Dy6 Dy3 C23 142.5(14) . . ?
Dy1 Dy3 C22 101.3(9) . . ?
Dy3 Dy3 C22 156.5(3) 6_565 . ?
Dy1 Dy3 C22 148.8(5) 6_565 . ?
Dy2 Dy3 C22 100.4(4) . . ?
Dy6 Dy3 C22 109.1(14) . . ?
C23 Dy3 C22 33.79(12) . . ?
Dy1 Dy3 C24 96.0(8) . . ?
Dy3 Dy3 C24 97.3(3) 6_565 . ?
Dy1 Dy3 C24 98.8(5) 6_565 . ?
Dy2 Dy3 C24 129.0(4) . . ?
Dy6 Dy3 C24 143.8(10) . . ?
C23 Dy3 C24 33.50(10) . . ?
C22 Dy3 C24 59.37(18) . . ?
Dy1 Dy3 Dy4 123.0(10) . 6_565 ?
Dy3 Dy3 Dy4 74(2) 6_565 6_565 ?
Dy1 Dy3 Dy4 90.6(19) 6_565 6_565 ?
Dy2 Dy3 Dy4 93.7(4) . 6_565 ?
Dy6 Dy3 Dy4 15.9(17) . 6_565 ?
C23 Dy3 Dy4 151.1(15) . 6_565 ?
C22 Dy3 Dy4 120.6(19) . 6_565 ?
C24 Dy3 Dy4 137.2(6) . 6_565 ?
Dy1 Dy3 Dy4 120.4(11) . . ?
Dy3 Dy3 Dy4 66.9(19) 6_565 . ?
Dy1 Dy3 Dy4 84.2(18) 6_565 . ?
Dy2 Dy3 Dy4 94.4(4) . . ?
Dy6 Dy3 Dy4 22(2) . . ?
C23 Dy3 Dy4 155.7(12) . . ?
C22 Dy3 Dy4 126.9(18) . . ?
C24 Dy3 Dy4 136.0(6) . . ?
Dy4 Dy3 Dy4 7(4) 6_565 . ?
Dy1 Dy3 C47 126.6(10) . . ?
Dy3 Dy3 C47 91.5(3) 6_565 . ?
Dy1 Dy3 C47 106.9(6) 6_565 . ?
Dy2 Dy3 C47 160.6(4) . . ?
Dy6 Dy3 C47 112.5(9) . . ?
C23 Dy3 C47 57.93(16) . . ?
C22 Dy3 C47 67.4(2) . . ?
C24 Dy3 C47 31.96(10) . . ?
Dy4 Dy3 C47 105.5(5) 6_565 . ?
Dy4 Dy3 C47 105.0(4) . . ?
Dy1 Dy3 C45 132.8(10) . . ?
Dy3 Dy3 C45 140.5(3) 6_565 . ?
Dy1 Dy3 C45 162.2(6) 6_565 . ?
Dy2 Dy3 C45 121.6(5) . . ?
Dy6 Dy3 C45 86.6(13) . . ?
C23 Dy3 C45 57.5(2) . . ?
C22 Dy3 C45 31.66(12) . . ?
C24 Dy3 C45 66.7(2) . . ?
Dy4 Dy3 C45 93.7(16) 6_565 . ?
Dy4 Dy3 C45 99.0(15) . . ?
C47 Dy3 C45 55.26(17) . . ?
Dy4 Dy4 Dy6 155(4) 6_565 6_565 ?
Dy4 Dy4 Dy6 17(4) 6_565 . ?
Dy6 Dy4 Dy6 138(6) 6_565 . ?
Dy4 Dy4 C83 74(2) 6_565 . ?
Dy6 Dy4 C83 125(5) 6_565 . ?
Dy6 Dy4 C83 88(5) . . ?
Dy4 Dy4 C84 96(2) 6_565 . ?
Dy6 Dy4 C84 109(5) 6_565 . ?
Dy6 Dy4 C84 113(5) . . ?
C83 Dy4 C84 39.6(2) . . ?
Dy4 Dy4 C81 99(2) 6_565 . ?
Dy6 Dy4 C81 94(5) 6_565 . ?
Dy6 Dy4 C81 107(4) . . ?
C83 Dy4 C81 34.74(14) . . ?
C84 Dy4 C81 57.9(3) . . ?
Dy4 Dy4 Dy3 106(2) 6_565 6_565 ?
Dy6 Dy4 Dy3 68(4) 6_565 6_565 ?
Dy6 Dy4 Dy3 101(3) . 6_565 ?
C83 Dy4 Dy3 144.8(5) . 6_565 ?
C84 Dy4 Dy3 107.3(12) . 6_565 ?
C81 Dy4 Dy3 153(4) . 6_565 ?
Dy4 Dy4 Dy3 66.8(18) 6_565 . ?
Dy6 Dy4 Dy3 104(4) 6_565 . ?
Dy6 Dy4 Dy3 63(3) . . ?
C83 Dy4 Dy3 127(3) . . ?
C84 Dy4 Dy3 111.0(10) . . ?
C81 Dy4 Dy3 162(3) . . ?
Dy3 Dy4 Dy3 39.5(5) 6_565 . ?
Dy4 Dy4 C72 127.1(16) 6_565 . ?
Dy6 Dy4 C72 78(5) 6_565 . ?
Dy6 Dy4 C72 144(5) . . ?
C83 Dy4 C72 64.8(6) . . ?
C84 Dy4 C72 31.4(5) . . ?
C81 Dy4 C72 65.1(10) . . ?
Dy3 Dy4 C72 90.4(19) 6_565 . ?
Dy3 Dy4 C72 114.0(8) . . ?
Dy4 Dy4 C82 129.0(16) 6_565 . ?
Dy6 Dy4 C82 65(4) 6_565 . ?
Dy6 Dy4 C82 135(4) . . ?
C83 Dy4 C82 60.8(6) . . ?
C84 Dy4 C82 64.2(10) . . ?
C81 Dy4 C82 30.6(5) . . ?
Dy3 Dy4 C82 124(4) 6_565 . ?
Dy3 Dy4 C82 163(3) . . ?
C72 Dy4 C82 52.6(12) . . ?
Dy4 Dy4 C66 44.2(13) 6_565 . ?
Dy6 Dy4 C66 153(4) 6_565 . ?
Dy6 Dy4 C66 59(4) . . ?
C83 Dy4 C66 30.1(8) . . ?
C84 Dy4 C66 59.6(9) . . ?
C81 Dy4 C66 59.0(8) . . ?
Dy3 Dy4 C66 137(2) 6_565 . ?
Dy3 Dy4 C66 103(3) . . ?
C72 Dy4 C66 90.1(4) . . ?
C82 Dy4 C66 88.7(4) . . ?
Dy4 Dy4 C73 146.9(11) 6_565 . ?
Dy6 Dy4 C73 56(4) 6_565 . ?
Dy6 Dy4 C73 161(4) . . ?
C83 Dy4 C73 72.8(11) . . ?
C84 Dy4 C73 54.2(12) . . ?
C81 Dy4 C73 54.9(12) . . ?
Dy3 Dy4 C73 98(3) 6_565 . ?
Dy3 Dy4 C73 133(2) . . ?
C72 Dy4 C73 28.8(8) . . ?
C82 Dy4 C73 29.9(8) . . ?
C66 Dy4 C73 102.8(4) . . ?
Dy2 Dy5 Dy2 91.7(11) . 6_565 ?
Dy2 Dy5 C14 135.4(10) . . ?
Dy2 Dy5 C14 92.7(5) 6_565 . ?
Dy2 Dy5 C15 105.1(7) . . ?
Dy2 Dy5 C15 111.9(8) 6_565 . ?
C14 Dy5 C15 33.80(19) . . ?
Dy2 Dy5 C3 80.6(7) . . ?
Dy2 Dy5 C3 93.1(9) 6_565 . ?
C14 Dy5 C3 54.9(3) . . ?
C15 Dy5 C3 31.8(2) . . ?
Dy2 Dy5 C16 100.5(4) . . ?
Dy2 Dy5 C16 144.6(8) 6_565 . ?
C14 Dy5 C16 55.7(3) . . ?
C15 Dy5 C16 32.82(18) . . ?
C3 Dy5 C16 57.1(3) . . ?
Dy2 Dy5 C36 124.9(5) . . ?
Dy2 Dy5 C36 141.5(6) 6_565 . ?
C14 Dy5 C36 54.1(3) . . ?
C15 Dy5 C36 52.3(3) . . ?
C3 Dy5 C36 83.0(4) . . ?
C16 Dy5 C36 31.0(2) . . ?
Dy2 Dy5 Dy1 33.0(4) . . ?
Dy2 Dy5 Dy1 63.9(6) 6_565 . ?
C14 Dy5 Dy1 145.7(9) . . ?
C15 Dy5 Dy1 130.3(8) . . ?
C3 Dy5 Dy1 99.5(7) . . ?
C16 Dy5 Dy1 133.5(4) . . ?
C36 Dy5 Dy1 154.6(3) . . ?
Dy2 Dy5 Dy1 63.9(6) . 6_565 ?
Dy2 Dy5 Dy1 33.0(4) 6_565 6_565 ?
C14 Dy5 Dy1 124.7(6) . 6_565 ?
C15 Dy5 Dy1 133.7(9) . 6_565 ?
C3 Dy5 Dy1 104.4(8) . 6_565 ?
C16 Dy5 Dy1 158.9(8) . 6_565 ?
C36 Dy5 Dy1 169.9(6) . 6_565 ?
Dy1 Dy5 Dy1 32.2(4) . 6_565 ?
Dy2 Dy5 C13 127.3(11) . . ?
Dy2 Dy5 C13 61.6(4) 6_565 . ?
C14 Dy5 C13 31.18(14) . . ?
C15 Dy5 C13 55.9(3) . . ?
C3 Dy5 C13 58.7(3) . . ?
C16 Dy5 C13 85.0(4) . . ?
C36 Dy5 C13 84.4(4) . . ?
Dy1 Dy5 C13 118.7(7) . . ?
Dy1 Dy5 C13 93.5(5) 6_565 . ?
Dy2 Dy5 C2 77.7(8) . . ?
Dy2 Dy5 C2 62.2(7) 6_565 . ?
C14 Dy5 C2 65.5(4) . . ?
C15 Dy5 C2 58.5(4) . . ?
C3 Dy5 C2 31.3(2) . . ?
C16 Dy5 C2 87.9(5) . . ?
C36 Dy5 C2 110.4(5) . . ?
Dy1 Dy5 C2 81.0(6) . . ?
Dy1 Dy5 C2 75.3(6) 6_565 . ?
C13 Dy5 C2 49.9(3) . . ?
Dy2 Dy5 C35 149.6(6) . . ?
Dy2 Dy5 C35 111.9(4) 6_565 . ?
C14 Dy5 C35 30.7(2) . . ?
C15 Dy5 C35 49.1(3) . . ?
C3 Dy5 C35 79.2(4) . . ?
C16 Dy5 C35 49.2(3) . . ?
C36 Dy5 C35 29.8(2) . . ?
Dy1 Dy5 C35 175.5(6) . . ?
Dy1 Dy5 C35 143.9(2) 6_565 . ?
C13 Dy5 C35 57.0(2) . . ?
C2 Dy5 C35 95.9(4) . . ?
Dy4 Dy6 Dy4 8(4) 6_565 . ?
Dy4 Dy6 Dy6 25(4) 6_565 6_565 ?
Dy4 Dy6 Dy6 17(4) . 6_565 ?
Dy4 Dy6 Dy3 97(4) 6_565 . ?
Dy4 Dy6 Dy3 95(3) . . ?
Dy6 Dy6 Dy3 92.0(13) 6_565 . ?
Dy4 Dy6 C66 93(4) 6_565 . ?
Dy4 Dy6 C66 100(3) . . ?
Dy6 Dy6 C66 115.1(11) 6_565 . ?
Dy3 Dy6 C66 126(2) . . ?
Dy4 Dy6 C65 121(4) 6_565 . ?
Dy4 Dy6 C65 126(3) . . ?
Dy6 Dy6 C65 135.5(10) 6_565 . ?
Dy3 Dy6 C65 131(2) . . ?
C66 Dy6 C65 34.2(7) . . ?
Dy4 Dy6 C67 101(4) 6_565 . ?
Dy4 Dy6 C67 109(3) . . ?
Dy6 Dy6 C67 125.6(9) 6_565 . ?
Dy3 Dy6 C67 90.8(16) . . ?
C66 Dy6 C67 35.0(7) . . ?
C65 Dy6 C67 54.6(11) . . ?
Dy4 Dy6 C83 62(3) 6_565 . ?
Dy4 Dy6 C83 69(3) . . ?
Dy6 Dy6 C83 83.2(12) 6_565 . ?
Dy3 Dy6 C83 132.7(16) . . ?
C66 Dy6 C83 31.9(4) . . ?
C65 Dy6 C83 60.0(9) . . ?
C67 Dy6 C83 56.8(8) . . ?
Dy4 Dy6 C80 104(4) 6_565 . ?
Dy4 Dy6 C80 106(3) . . ?
Dy6 Dy6 C80 107.9(11) 6_565 . ?
Dy3 Dy6 C80 159(2) . . ?
C66 Dy6 C80 51.9(9) . . ?
C65 Dy6 C80 32.8(6) . . ?
C67 Dy6 C80 83.3(14) . . ?
C83 Dy6 C80 58.9(8) . . ?
Dy4 Dy6 C64 151(4) 6_565 . ?
Dy4 Dy6 C64 156(4) . . ?
Dy6 Dy6 C64 160.8(9) 6_565 . ?
Dy3 Dy6 C64 106.2(17) . . ?
C66 Dy6 C64 59.1(12) . . ?
C65 Dy6 C64 30.0(6) . . ?
C67 Dy6 C64 61.8(12) . . ?
C83 Dy6 C64 88.8(14) . . ?
C80 Dy6 C64 53.4(9) . . ?
Dy4 Dy6 Dy1 100(4) 6_565 . ?
Dy4 Dy6 Dy1 97(3) . . ?
Dy6 Dy6 Dy1 89.6(11) 6_565 . ?
Dy3 Dy6 Dy1 14.5(3) . . ?
C66 Dy6 Dy1 139(2) . . ?
C65 Dy6 Dy1 135.0(19) . . ?
C67 Dy6 Dy1 103.8(15) . . ?
C83 Dy6 Dy1 146.4(15) . . ?
C80 Dy6 Dy1 152.7(13) . . ?
C64 Dy6 Dy1 106.4(13) . . ?
Dy4 Dy6 Dy3 63(4) 6_565 6_565 ?
Dy4 Dy6 Dy3 60(3) . 6_565 ?
Dy6 Dy6 Dy3 54.7(10) 6_565 6_565 ?
Dy3 Dy6 Dy3 37.4(8) . 6_565 ?
C66 Dy6 Dy3 137.2(15) . 6_565 ?
C65 Dy6 Dy3 165(2) . 6_565 ?
C67 Dy6 Dy3 111.4(15) . 6_565 ?
C83 Dy6 Dy3 118.8(14) . 6_565 ?
C80 Dy6 Dy3 161(2) . 6_565 ?
C64 Dy6 Dy3 143.2(15) . 6_565 ?
Dy1 Dy6 Dy3 37.4(6) . 6_565 ?
C9 C1 C5 125.7 . . ?
C9 C1 C2 122.3 . . ?
C5 C1 C2 107.2 . . ?
C9 C1 Dy2 102.10(12) . . ?
C5 C1 Dy2 61.66(14) . . ?
C2 C1 Dy2 82.37(14) . . ?
C9 C1 Dy1 68.55(18) . . ?
C5 C1 Dy1 78.60(19) . . ?
C2 C1 Dy1 105.42(12) . . ?
Dy2 C1 Dy1 34.16(17) . . ?
C1 C2 C3 111.1 . . ?
C1 C2 C12 125.0 . . ?
C3 C2 C12 119.6 . . ?
C1 C2 Dy5 98.6(3) . . ?
C3 C2 Dy5 63.8(3) . . ?
C12 C2 Dy5 86.14(14) . . ?
C1 C2 Dy2 67.81(11) . . ?
C3 C2 Dy2 69.13(11) . . ?
C12 C2 Dy2 111.30(12) . . ?
Dy5 C2 Dy2 32.3(2) . . ?
C15 C3 C4 115.2 . . ?
C15 C3 C2 132.1 . . ?
C4 C3 C2 104.9 . . ?
C15 C3 Dy5 71.1(5) . . ?
C4 C3 Dy5 89.3(2) . . ?
C2 C3 Dy5 84.9(4) . . ?
C15 C3 Dy2 98.52(11) . . ?
C4 C3 Dy2 57.76(14) . . ?
C2 C3 Dy2 81.12(13) . . ?
Dy5 C3 Dy2 34.7(3) . . ?
C18 C4 C3 127.1 . . ?
C18 C4 C5 114.9 . . ?
C3 C4 C5 109.8 . . ?
C18 C4 Dy2 76.07(17) . . ?
C3 C4 Dy2 91.07(18) . . ?
C5 C4 Dy2 73.76(14) . . ?
C18 C4 Dy5 85.5(3) . . ?
C3 C4 Dy5 61.0(2) . . ?
C5 C4 Dy5 98.2(4) . . ?
Dy2 C4 Dy5 33.4(3) . . ?
C6 C5 C1 118.6 . . ?
C6 C5 C4 125.5 . . ?
C1 C5 C4 106.9 . . ?
C6 C5 Dy2 84.42(16) . . ?
C1 C5 Dy2 87.04(17) . . ?
C4 C5 Dy2 68.90(14) . . ?
C6 C5 Dy1 65.99(14) . . ?
C1 C5 Dy1 73.89(17) . . ?
C4 C5 Dy1 102.64(13) . . ?
Dy2 C5 Dy1 33.88(16) . . ?
C5 C6 C20 123.4 . . ?
C5 C6 C7 122.7 . . ?
C20 C6 C7 98.9 . . ?
C5 C6 Dy2 66.31(14) . . ?
C20 C6 Dy2 74.55(16) . . ?
C7 C6 Dy2 94.47(12) . . ?
C5 C6 Dy1 88.79(16) . . ?
C20 C6 Dy1 82.33(17) . . ?
C7 C6 Dy1 58.05(16) . . ?
Dy2 C6 Dy1 36.42(17) . . ?
C8 C7 C23 107.2 . . ?
C8 C7 C6 115.7 . . ?
C23 C7 C6 132.4 . . ?
C8 C7 Dy1 79.6(2) . . ?
C23 C7 Dy1 80.21(19) . . ?
C6 C7 Dy1 88.0(2) . . ?
C8 C7 Dy3 85.3(3) . . ?
C23 C7 Dy3 63.99(18) . . ?
C6 C7 Dy3 99.2(2) . . ?
Dy1 C7 Dy3 16.23(19) . . ?
C7 C8 C25 108.1 . . ?
C7 C8 C9 119.9 . . ?
C25 C8 C9 121.6 . . ?
C7 C8 Dy1 66.1(2) . . ?
C25 C8 Dy1 87.1(2) . . ?
C9 C8 Dy1 83.90(18) . . ?
C7 C8 Dy3 66.2(2) . . ?
C25 C8 Dy3 74.4(2) . . ?
C9 C8 Dy3 95.59(17) . . ?
Dy1 C8 Dy3 14.0(2) . . ?
C1 C9 C8 115.8 . . ?
C1 C9 C10 117.1 . . ?
C8 C9 C10 120.6 . . ?
C1 C9 Dy1 83.1(2) . . ?
C8 C9 Dy1 64.54(14) . . ?
C10 C9 Dy1 97.10(18) . . ?
C27 C10 C11 132.1 . . ?
C27 C10 C9 107.7 . . ?
C11 C10 C9 112.9 . . ?
C12 C11 C30 109.9 . . ?
C12 C11 C10 134.3 . . ?
C30 C11 C10 113.3 . . ?
C11 C12 C13 133.2 . . ?
C11 C12 C2 108.0 . . ?
C13 C12 C2 102.9 . . ?
C14 C13 C12 134.1 . . ?
C14 C13 C32 104.8 . . ?
C12 C13 C32 110.3 . . ?
C14 C13 Dy5 61.2(4) . . ?
C12 C13 Dy5 88.5(4) . . ?
C32 C13 Dy5 92.1(3) . . ?
C15 C14 C35 101.3 . . ?
C15 C14 C13 119.2 . . ?
C35 C14 C13 136.1 . . ?
C15 C14 Dy5 73.2(2) . . ?
C35 C14 Dy5 88.7(5) . . ?
C13 C14 Dy5 87.6(4) . . ?
C3 C15 C16 121.6 . . ?
C3 C15 C14 110.6 . . ?
C16 C15 C14 111.0 . . ?
C3 C15 Dy5 77.1(5) . . ?
C16 C15 Dy5 78.0(4) . . ?
C14 C15 Dy5 73.0(2) . . ?
C17 C16 C15 120.6 . . ?
C17 C16 C36 122.3 . . ?
C15 C16 C36 108.1 . . ?
C17 C16 Dy5 87.9(2) . . ?
C15 C16 Dy5 69.2(4) . . ?
C36 C16 Dy5 81.9(4) . . ?
C16 C17 C39 118.2 . . ?
C16 C17 C18 121.1 . . ?
C39 C17 C18 112.8 . . ?
C16 C17 Dy2 93.36(15) . . ?
C39 C17 Dy2 91.41(11) . . ?
C18 C17 Dy2 57.33(11) . . ?
C16 C17 Dy5 63.3(3) . . ?
C39 C17 Dy5 95.4(4) . . ?
C18 C17 Dy5 85.1(4) . . ?
Dy2 C17 Dy5 32.2(3) . . ?
C4 C18 C19 115.3 . . ?
C4 C18 C17 113.0 . . ?
C19 C18 C17 120.2 . . ?
C4 C18 Dy2 69.65(15) . . ?
C19 C18 Dy2 74.38(17) . . ?
C17 C18 Dy2 91.90(13) . . ?
C41 C19 C18 123.1 . . ?
C41 C19 C20 102.8 . . ?
C18 C19 C20 127.7 . . ?
C41 C19 Dy2 98.49(12) . . ?
C18 C19 Dy2 71.24(14) . . ?
C20 C19 Dy2 79.12(13) . . ?
C6 C20 C21 126.5 . . ?
C6 C20 C19 112.4 . . ?
C21 C20 C19 110.7 . . ?
C6 C20 Dy2 74.82(13) . . ?
C21 C20 Dy2 94.09(12) . . ?
C19 C20 Dy2 67.77(13) . . ?
C6 C20 Dy1 69.63(13) . . ?
C21 C20 Dy1 72.35(15) . . ?
C19 C20 Dy1 101.11(14) . . ?
Dy2 C20 Dy1 34.95(17) . . ?
C22 C21 C20 136.3 . . ?
C22 C21 C42 112.4 . . ?
C20 C21 C42 107.3 . . ?
C22 C21 Dy3 62.63(17) . . ?
C20 C21 Dy3 95.6(2) . . ?
C42 C21 Dy3 96.9(2) . . ?
C22 C21 Dy1 74.84(18) . . ?
C20 C21 Dy1 78.75(16) . . ?
C42 C21 Dy1 103.63(12) . . ?
Dy3 C21 Dy1 16.94(17) . . ?
C21 C22 C45 127.2 . . ?
C21 C22 C23 105.9 . . ?
C45 C22 C23 120.5 . . ?
C21 C22 Dy3 90.2(2) . . ?
C45 C22 Dy3 81.3(2) . . ?
C23 C22 Dy3 72.8(2) . . ?
C21 C22 Dy1 78.7(2) . . ?
C45 C22 Dy1 98.30(15) . . ?
C23 C22 Dy1 64.84(14) . . ?
Dy3 C22 Dy1 17.0(2) . . ?
C24 C23 C22 118.4 . . ?
C24 C23 C7 108.8 . . ?
C22 C23 C7 118.5 . . ?
C24 C23 Dy3 74.5(3) . . ?
C22 C23 Dy3 73.4(3) . . ?
C7 C23 Dy3 84.4(2) . . ?
C24 C23 Dy1 82.1(2) . . ?
C22 C23 Dy1 83.95(18) . . ?
C7 C23 Dy1 65.41(16) . . ?
Dy3 C23 Dy1 19.02(19) . . ?
C47 C24 C23 120.4 . . ?
C47 C24 C25 126.2 . . ?
C23 C24 C25 106.4 . . ?
C47 C24 Dy3 79.2(2) . . ?
C23 C24 Dy3 72.0(3) . . ?
C25 C24 Dy3 92.4(2) . . ?
C47 C24 Dy1 96.10(14) . . ?
C23 C24 Dy1 66.4(2) . . ?
C25 C24 Dy1 78.64(16) . . ?
Dy3 C24 Dy1 17.57(18) . . ?
C8 C25 C26 118.4 . . ?
C8 C25 C24 108.5 . . ?
C26 C25 C24 118.1 . . ?
C8 C25 Dy1 62.35(16) . . ?
C26 C25 Dy1 96.58(18) . . ?
C24 C25 Dy1 71.28(16) . . ?
C8 C25 Dy3 77.7(2) . . ?
C26 C25 Dy3 94.2(2) . . ?
C24 C25 Dy3 58.32(18) . . ?
Dy1 C25 Dy3 16.29(17) . . ?
C49 C26 C25 121.8 . . ?
C49 C26 C27 109.0 . . ?
C25 C26 C27 116.6 . . ?
C10 C27 C26 134.4 . . ?
C10 C27 C28 110.5 . . ?
C26 C27 C28 105.4 . . ?
C29 C28 C50 120.8 . . ?
C29 C28 C27 124.2 . . ?
C50 C28 C27 103.0 . . ?
C28 C29 C30 119.0 . . ?
C28 C29 C53 119.7 . . ?
C30 C29 C53 108.6 . . ?
C29 C30 C31 108.2 . . ?
C29 C30 C11 120.4 . . ?
C31 C30 C11 118.9 . . ?
C32 C31 C30 127.0 . . ?
C32 C31 C54 115.2 . . ?
C30 C31 C54 107.6 . . ?
C31 C32 C33 119.6 . . ?
C31 C32 C13 117.2 . . ?
C33 C32 C13 113.9 . . ?
C32 C33 C34 138.5 . . ?
C32 C33 C56 114.5 . . ?
C34 C33 C56 101.5 . . ?
C35 C34 C58 131.5 . . ?
C35 C34 C33 106.3 . . ?
C58 C34 C33 115.4 . . ?
C34 C35 C36 105.7 . . ?
C34 C35 C14 117.9 . . ?
C36 C35 C14 112.5 . . ?
C34 C35 Dy5 88.2(3) . . ?
C36 C35 Dy5 73.0(2) . . ?
C14 C35 Dy5 60.6(4) . . ?
C37 C36 C35 129.1 . . ?
C37 C36 C16 120.1 . . ?
C35 C36 C16 103.6 . . ?
C37 C36 Dy5 95.7(4) . . ?
C35 C36 Dy5 77.26(16) . . ?
C16 C36 Dy5 67.1(3) . . ?
C38 C37 C36 116.9 . . ?
C38 C37 C59 113.4 . . ?
C36 C37 C59 122.4 . . ?
C37 C38 C39 125.5 . . ?
C37 C38 C62 119.5 . . ?
C39 C38 C62 108.0 . . ?
C17 C39 C38 117.0 . . ?
C17 C39 C40 125.5 . . ?
C38 C39 C40 108.0 . . ?
C41 C40 C39 122.3 . . ?
C41 C40 C63 123.4 . . ?
C39 C40 C63 108.0 . . ?
C40 C41 C42 115.1 . . ?
C40 C41 C19 115.5 . . ?
C42 C41 C19 112.0 . . ?
C40 C41 Dy2 87.59(10) . . ?
C42 C41 Dy2 87.26(11) . . ?
C19 C41 Dy2 53.42(9) . . ?
C43 C42 C41 122.6 . . ?
C43 C42 C21 125.9 . . ?
C41 C42 C21 105.8 . . ?
C44 C43 C42 117.9 . . ?
C44 C43 C64 114.5 . . ?
C42 C43 C64 121.3 . . ?
C44 C43 Dy6 73.2(7) . . ?
C42 C43 Dy6 103.1(7) . . ?
C64 C43 Dy6 68.8(8) . . ?
C43 C44 C67 121.3 . . ?
C43 C44 C45 116.4 . . ?
C67 C44 C45 109.1 . . ?
C43 C44 Dy6 79.6(7) . . ?
C67 C44 Dy6 58.3(5) . . ?
C45 C44 Dy6 98.5(8) . . ?
C22 C45 C46 121.1 . . ?
C22 C45 C44 119.5 . . ?
C46 C45 C44 109.3 . . ?
C22 C45 Dy3 67.0(2) . . ?
C46 C45 Dy3 76.1(2) . . ?
C44 C45 Dy3 97.7(2) . . ?
C45 C46 C68 104.6 . . ?
C45 C46 C47 118.5 . . ?
C68 C46 C47 129.6 . . ?
C45 C46 Dy3 73.2(3) . . ?
C68 C46 Dy3 98.96(19) . . ?
C47 C46 Dy3 71.9(2) . . ?
C24 C47 C46 120.6 . . ?
C24 C47 C48 116.2 . . ?
C46 C47 C48 112.1 . . ?
C24 C47 Dy3 68.9(2) . . ?
C46 C47 Dy3 76.8(2) . . ?
C48 C47 Dy3 92.4(3) . . ?
C70 C48 C47 116.5 . . ?
C70 C48 C49 117.9 . . ?
C47 C48 C49 117.9 . . ?
C50 C49 C26 109.7 . . ?
C50 C49 C48 119.4 . . ?
C26 C49 C48 119.8 . . ?
C49 C50 C51 117.0 . . ?
C49 C50 C28 112.0 . . ?
C51 C50 C28 121.3 . . ?
C71 C51 C50 127.5 . . ?
C71 C51 C52 115.2 . . ?
C50 C51 C52 114.2 . . ?
C53 C52 C74 112.9 . . ?
C53 C52 C51 125.9 . . ?
C74 C52 C51 117.6 . . ?
C52 C53 C29 117.5 . . ?
C52 C53 C54 122.8 . . ?
C29 C53 C54 108.2 . . ?
C55 C54 C53 117.9 . . ?
C55 C54 C31 131.1 . . ?
C53 C54 C31 106.9 . . ?
C54 C55 C56 111.8 . . ?
C54 C55 C75 125.0 . . ?
C56 C55 C75 113.3 . . ?
C55 C56 C57 114.2 . . ?
C55 C56 C33 127.4 . . ?
C57 C56 C33 110.6 . . ?
C77 C57 C58 107.2 . . ?
C77 C57 C56 134.4 . . ?
C58 C57 C56 108.6 . . ?
C34 C58 C59 120.4 . . ?
C34 C58 C57 103.1 . . ?
C59 C58 C57 131.0 . . ?
C60 C59 C58 113.9 . . ?
C60 C59 C37 121.4 . . ?
C58 C59 C37 110.3 . . ?
C61 C60 C59 125.4 . . ?
C61 C60 C78 105.8 . . ?
C59 C60 C78 121.9 . . ?
C62 C61 C80 117.6 . . ?
C62 C61 C60 109.2 . . ?
C80 C61 C60 110.4 . . ?
C61 C62 C63 120.4 . . ?
C61 C62 C38 129.5 . . ?
C63 C62 C38 108.0 . . ?
C64 C63 C62 123.7 . . ?
C64 C63 C40 122.4 . . ?
C62 C63 C40 108.0 . . ?
C65 C64 C63 115.3 . . ?
C65 C64 C43 119.3 . . ?
C63 C64 C43 114.3 . . ?
C65 C64 Dy6 61.6(6) . . ?
C63 C64 Dy6 93.0(8) . . ?
C43 C64 Dy6 83.2(9) . . ?
C64 C65 C66 131.4 . . ?
C64 C65 C80 118.5 . . ?
C66 C65 C80 100.8 . . ?
C64 C65 Dy6 88.4(8) . . ?
C66 C65 Dy6 68.7(7) . . ?
C80 C65 Dy6 82.5(11) . . ?
C83 C66 C65 128.8 . . ?
C83 C66 C67 116.2 . . ?
C65 C66 C67 103.8 . . ?
C83 C66 Dy6 81.9(11) . . ?
C65 C66 Dy6 77.1(9) . . ?
C67 C66 Dy6 77.0(11) . . ?
C83 C66 Dy4 61.4(13) . . ?
C65 C66 Dy4 94.3(9) . . ?
C67 C66 Dy4 84.2(8) . . ?
Dy6 C66 Dy4 21(2) . . ?
C44 C67 C68 104.3 . . ?
C44 C67 C66 128.0 . . ?
C68 C67 C66 124.8 . . ?
C44 C67 Dy6 92.7(8) . . ?
C68 C67 Dy6 96.4(10) . . ?
C66 C67 Dy6 68.0(9) . . ?
C44 C67 Dy4 108.5(8) . . ?
C68 C67 Dy4 83.1(8) . . ?
C66 C67 Dy4 66.3(2) . . ?
Dy6 C67 Dy4 18.5(16) . . ?
C69 C68 C46 116.5 . . ?
C69 C68 C67 121.4 . . ?
C46 C68 C67 111.7 . . ?
C69 C68 Dy6 86.8(9) . . ?
C46 C68 Dy6 97.5(7) . . ?
C67 C68 Dy6 55.2(10) . . ?
C68 C69 C84 118.4 . . ?
C68 C69 C70 116.3 . . ?
C84 C69 C70 111.1 . . ?
C68 C69 Dy4 85.7(17) . . ?
C84 C69 Dy4 56.3(8) . . ?
C70 C69 Dy4 90.7(12) . . ?
C69 C70 C71 105.0 . . ?
C69 C70 C48 128.7 . . ?
C71 C70 C48 119.1 . . ?
C51 C71 C72 124.5 . . ?
C51 C71 C70 118.5 . . ?
C72 C71 C70 108.1 . . ?
C73 C72 C84 123.6 . . ?
C73 C72 C71 120.3 . . ?
C84 C72 C71 110.0 . . ?
C73 C72 Dy4 84.2(13) . . ?
C84 C72 Dy4 66.8(16) . . ?
C71 C72 Dy4 95.2(3) . . ?
C72 C73 C74 114.5 . . ?
C72 C73 C82 113.3 . . ?
C74 C73 C82 119.0 . . ?
C72 C73 C75 144.8 . . ?
C74 C73 C75 43.5 . . ?
C82 C73 C75 75.8 . . ?
C72 C73 Dy4 67.0(6) . . ?
C74 C73 Dy4 99.2(11) . . ?
C82 C73 Dy4 68.0(4) . . ?
C75 C73 Dy4 87.6(9) . . ?
C52 C74 C73 126.7 . . ?
C52 C74 C75 124.0 . . ?
C73 C74 C75 93.5 . . ?
C76 C75 C74 119.0 . . ?
C76 C75 C55 123.8 . . ?
C74 C75 C55 112.6 . . ?
C76 C75 C73 76.0 . . ?
C74 C75 C73 43.0 . . ?
C55 C75 C73 149.1 . . ?
C75 C76 C82 108.3 . . ?
C75 C76 C77 117.7 . . ?
C82 C76 C77 118.8 . . ?
C57 C77 C76 114.5 . . ?
C57 C77 C78 136.5 . . ?
C76 C77 C78 104.6 . . ?
C79 C78 C60 107.7 . . ?
C79 C78 C77 133.7 . . ?
C60 C78 C77 109.3 . . ?
C80 C79 C78 108.6 . . ?
C80 C79 C81 133.0 . . ?
C78 C79 C81 108.9 . . ?
C80 C79 Dy4 89.0(18) . . ?
C78 C79 Dy4 93.9(11) . . ?
C81 C79 Dy4 61.1(11) . . ?
C80 C79 Dy6 69.1(10) . . ?
C78 C79 Dy6 99.2(9) . . ?
C81 C79 Dy6 77.7(7) . . ?
Dy4 C79 Dy6 20(2) . . ?
C61 C80 C79 106.4 . . ?
C61 C80 C65 121.6 . . ?
C79 C80 C65 126.4 . . ?
C61 C80 Dy6 104.2(7) . . ?
C79 C80 Dy6 82.6(10) . . ?
C65 C80 Dy6 64.7(11) . . ?
C82 C81 C79 121.5 . . ?
C82 C81 C83 130.2 . . ?
C79 C81 C83 98.0 . . ?
C82 C81 Dy4 82(2) . . ?
C79 C81 Dy4 89.1(13) . . ?
C83 C81 Dy4 68.9(15) . . ?
C82 C81 Dy6 99.4(11) . . ?
C79 C81 Dy6 74.2(8) . . ?
C83 C81 Dy6 61.0(9) . . ?
Dy4 C81 Dy6 19(3) . . ?
C81 C82 C76 130.5 . . ?
C81 C82 C73 124.6 . . ?
C76 C82 C73 99.0 . . ?
C81 C82 Dy4 67.8(16) . . ?
C76 C82 Dy4 100.3(9) . . ?
C73 C82 Dy4 82.1(12) . . ?
C66 C83 C81 131.3 . . ?
C66 C83 C84 118.1 . . ?
C81 C83 C84 100.8 . . ?
C66 C83 Dy4 89(2) . . ?
C81 C83 Dy4 76.3(14) . . ?
C84 C83 Dy4 71.9(11) . . ?
C66 C83 Dy6 66.2(12) . . ?
C81 C83 Dy6 89.1(11) . . ?
C84 C83 Dy6 87.4(10) . . ?
Dy4 C83 Dy6 23(3) . . ?
C72 C84 C69 105.4 . . ?
C72 C84 C83 126.4 . . ?
C69 C84 C83 120.4 . . ?
C72 C84 Dy4 82(2) . . ?
C69 C84 Dy4 95.1(9) . . ?
C83 C84 Dy4 68.6(12) . . ?
C72 C84 Dy6 99.4(10) . . ?
C69 C84 Dy6 87.6(9) . . ?
C83 C84 Dy6 59.3(8) . . ?
Dy4 C84 Dy6 18(3) . . ?
N1A Ni1A N1A 91.2(5) . 6_565 ?
N1A Ni1A N2A 89.2(4) . . ?
N1A Ni1A N2A 178.2(3) 6_565 . ?
N1A Ni1A N2A 178.2(3) . 6_565 ?
N1A Ni1A N2A 89.2(4) 6_565 6_565 ?
N2A Ni1A N2A 90.4(5) . 6_565 ?
C13A N2A C20A 103.2(9) . . ?
C13A N2A Ni1A 128.8(6) . . ?
C20A N2A Ni1A 128.0(9) . . ?
C4A C3A C4A 127.0(10) . 6_565 ?
C3A C4A C5A 125.2(7) . . ?
C3A C4A N1A 122.6(11) . . ?
C5A C4A N1A 112.2(11) . . ?
C8A C5A C4A 107.2(8) . . ?
C8A C5A C6A 125.3(12) . . ?
C4A C5A C6A 127.5(11) . . ?
C7A C6A C5A 113.5(8) . . ?
C5A C8A C11A 106.6(12) . . ?
C5A C8A C9A 129.5(9) . . ?
C11A C8A C9A 123.6(10) . . ?
C10A C9A C8A 115.1(10) . . ?
C12A C11A N1A 125.2(10) . . ?
C12A C11A C8A 123.7(14) . . ?
N1A C11A C8A 111.1(9) . . ?
C11A C12A C13A 121.8(13) . . ?
N2A C13A C12A 126.4(10) . . ?
N2A C13A C14A 112.6(9) . . ?
C12A C13A C14A 121.0(13) . . ?
C17A C14A C13A 104.7(12) . . ?
C17A C14A C15A 130.2(10) . . ?
C13A C14A C15A 124.9(10) . . ?
C14A C15A C16A 114.2(10) . . ?
C14A C17A C20A 107.4(8) . . ?
C14A C17A C18A 126.8(12) . . ?
C20A C17A C18A 125.7(11) . . ?
C17A C18A C19A 111.4(7) . . ?
C21A C20A C17A 124.5(7) . . ?
C21A C20A N2A 123.4(11) . . ?
C17A C20A N2A 112.1(10) . . ?
C20A C21A C20A 126.8(10) 6_565 . ?
C11A N1A C4A 103.0(9) . . ?
C11A N1A Ni1A 128.7(6) . . ?
C4A N1A Ni1A 128.3(9) . . ?
C2B C1B C2B 115.2(16) 6 . ?
C3B C2B C1B 124.5(14) . . ?
C2B C3B C4B 117.6(13) . . ?
C3B C4B C3B 120.2(16) 6 . ?
C3E C1E C2E 116(2) 5_676 . ?
C3E C2E C1E 125(2) . . ?
C2E C3E C1E 119(2) . 5_676 ?

_refine_diff_density_max         1.158
_refine_diff_density_min         -1.864
_refine_diff_density_rms         0.199



_vrf_PLAT250_Dy@D2-C84           
;
PROBLEM: PLAT250_ALERT_2_A Large U3/U1 Ratio for Average U(i,j) Tensor
RESPONSE: This alert is generated because there is a severe disorder for 
the internal Dy atom
;
