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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_dyer2n@c80
_database_code_depnum_ccdc_archive 'CCDC 1874408'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research
Germany
;
_audit_update_record             
;
2019-03-25 deposited with the CCDC.	2019-06-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_dyer2n@c80          
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;
_vrf_SHFSU01_dyer2n@c80          
;
RESPONSE: This is caused by the "vibration" of the encapsulated N atom N1.
;
_vrf_PLAT080_dyer2n@c80          
;
RESPONSE: This is caused by the "vibration" of the encapsulated N atom N1.
;
_vrf_PLAT213_dyer2n@c80          
;
RESPONSE: This is caused by the "vibration" of the encapsulated N atom N1.
;
_vrf_PLAT972_dyer2n@c80          
;
RESPONSE: This is caused by the disordered heavy endohedral Dy/Er atoms.
;
_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ;DyEr2N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;DyEr2N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 Dy Er2 Ho0 N5 Ni'
_chemical_formula_weight         2219.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0060 0.0030 '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 0.0110 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2530 1.6900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.3790 6.5120 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.7090 7.4480 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   25.170(5)
_cell_length_b                   15.030(3)
_cell_length_c                   39.410(8)
_cell_angle_alpha                90
_cell_angle_beta                 95.16(3)
_cell_angle_gamma                90
_cell_volume                     14849(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    96914
_cell_measurement_theta_min      1.058
_cell_measurement_theta_max      28.575

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_F_000             8712
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    6.367
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.89429
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.3'
_diffrn_measurement_device_type  MAR225CCD
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            96914
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_av_R_equivalents  0.1252
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_theta_min         2.063
_diffrn_reflns_theta_max         34.476
_diffrn_reflns_theta_full        32.451
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measured_fraction_theta_full 0.885
_diffrn_reflns_Laue_measured_fraction_max 0.868
_diffrn_reflns_Laue_measured_fraction_full 0.885
_diffrn_reflns_point_group_measured_fraction_max 0.868
_diffrn_reflns_point_group_measured_fraction_full 0.885
_reflns_number_total             13710
_reflns_number_gt                9685
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0794P)²+1897.3413P] 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         13710
_refine_ls_number_parameters     1262
_refine_ls_number_restraints     1224
_refine_ls_R_factor_all          0.1440
_refine_ls_R_factor_gt           0.1104
_refine_ls_wR_factor_ref         0.2825
_refine_ls_wR_factor_gt          0.2608
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          1.522
_refine_ls_shift/su_mean         0.003

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
N1 N 0.7043(4) 0.5055(7) 0.3451(3) 0.017(2) Uani 1 1 d . U . . .
Er1A Er 0.77003(5) 0.49189(13) 0.32007(3) 0.0345(4) Uani 0.805(3) 1 d . U P A .
Er2A Er 0.65810(6) 0.39817(7) 0.35559(3) 0.0298(3) Uani 0.4024(16) 1 d . U P A
.
Dy1C Dy 0.65810(6) 0.39817(7) 0.35559(3) 0.0298(3) Uani 0.4024(16) 1 d . U P A
.
Dy1A Dy 0.67519(7) 0.62653(8) 0.35849(3) 0.0329(3) Uani 0.4024(16) 1 d . U P A
.
Er2C Er 0.67519(7) 0.62653(8) 0.35849(3) 0.0329(3) Uani 0.4024(16) 1 d . U P A
.
Er1B Er 0.7697(2) 0.5267(4) 0.32055(14) 0.0229(13) Uani 0.195(3) 1 d . U P A 1
Dy1B Dy 0.6825(2) 0.3757(3) 0.35795(12) 0.0267(9) Uani 0.0976(16) 1 d . U P A 1
Er2D Er 0.6825(2) 0.3757(3) 0.35795(12) 0.0267(9) Uani 0.0976(16) 1 d . U P A 1
Dy1D Dy 0.6554(2) 0.6022(3) 0.35572(13) 0.0229(9) Uani 0.0976(16) 1 d . U P A 1
Er2B Er 0.6554(2) 0.6022(3) 0.35572(13) 0.0229(9) Uani 0.0976(16) 1 d . U P A 1
Ni1P Ni 0.51835(5) 0.50153(9) 0.45897(4) 0.0016(3) Uani 1 1 d . U . . .
N1P N 0.5187(4) 0.3701(6) 0.4577(3) 0.0072(10) Uani 1 1 d . U . . .
N2P N 0.5766(3) 0.5003(6) 0.4952(3) 0.0061(10) Uani 1 1 d . U . . .
N3P N 0.5197(4) 0.6340(6) 0.4588(3) 0.0065(10) Uani 1 1 d . U . . .
N4P N 0.4626(4) 0.5032(6) 0.4206(3) 0.0082(10) Uani 1 1 d . U . . .
C1P C 0.4881(4) 0.3148(7) 0.4360(3) 0.0079(10) Uani 1 1 d . U . . .
C2P C 0.5022(4) 0.2229(7) 0.4418(3) 0.0091(10) Uani 1 1 d . U . . .
C3P C 0.5418(4) 0.2226(7) 0.4681(3) 0.0086(10) Uani 1 1 d . U . . .
C4P C 0.5520(4) 0.3142(7) 0.4774(3) 0.0073(10) Uani 1 1 d . U . . .
C5P C 0.5901(4) 0.3394(7) 0.5021(3) 0.0068(10) Uani 1 1 d . U . . .
H5P H 0.609491 0.294107 0.514678 0.008 Uiso 1 1 calc R U . . .
C6P C 0.6026(4) 0.4272(7) 0.5102(3) 0.0067(10) Uani 1 1 d . U . . .
C7P C 0.6450(4) 0.4540(7) 0.5347(3) 0.0079(10) Uani 1 1 d . U . . .
C8P C 0.6453(4) 0.5436(7) 0.5348(3) 0.0079(10) Uani 1 1 d . U . . .
C9P C 0.6033(4) 0.5713(7) 0.5109(3) 0.0067(10) Uani 1 1 d . U . . .
C10P C 0.5907(4) 0.6602(7) 0.5036(3) 0.0072(10) Uani 1 1 d . U . . .
H10P H 0.610466 0.704794 0.516337 0.009 Uiso 1 1 calc R U . . .
C11P C 0.5518(4) 0.6869(7) 0.4794(3) 0.0073(10) Uani 1 1 d . U . . .
C12P C 0.5421(4) 0.7803(7) 0.4712(3) 0.0092(10) Uani 1 1 d . U . . .
C13P C 0.5025(4) 0.7807(7) 0.4452(3) 0.0094(10) Uani 1 1 d . U . . .
C14P C 0.4892(4) 0.6894(7) 0.4379(3) 0.0075(10) Uani 1 1 d . U . . .
C15P C 0.4520(4) 0.6630(7) 0.4132(3) 0.0079(11) Uani 1 1 d . U . . .
H15P H 0.432185 0.708347 0.400894 0.009 Uiso 1 1 calc R U . . .
C16P C 0.4400(4) 0.5756(7) 0.4041(3) 0.0083(10) Uani 1 1 d . U . . .
C17P C 0.4043(4) 0.5509(8) 0.3754(3) 0.0100(10) Uani 1 1 d . U . . .
C18P C 0.4033(4) 0.4601(8) 0.3749(3) 0.0097(10) Uani 1 1 d . U . . .
C19P C 0.4404(4) 0.4306(7) 0.4035(3) 0.0086(10) Uani 1 1 d . U . . .
C20P C 0.4502(4) 0.3440(7) 0.4109(3) 0.0084(11) Uani 1 1 d . U . . .
H20P H 0.429794 0.300411 0.398117 0.010 Uiso 1 1 calc R U . . .
C21P C 0.4795(5) 0.1476(7) 0.4211(4) 0.0110(13) Uani 1 1 d . U . . .
H21A H 0.440249 0.154201 0.418131 0.013 Uiso 1 1 calc R U . . .
H21B H 0.487599 0.091672 0.433789 0.013 Uiso 1 1 calc R U . . .
C22P C 0.5001(5) 0.1394(8) 0.3860(4) 0.0150(19) Uani 1 1 d . U . . .
H22A H 0.483276 0.088172 0.373977 0.022 Uiso 1 1 calc R U . . .
H22B H 0.491472 0.193686 0.372867 0.022 Uiso 1 1 calc R U . . .
H22C H 0.538905 0.131048 0.388552 0.022 Uiso 1 1 calc R U . . .
C23P C 0.5719(5) 0.1447(7) 0.4835(4) 0.0099(13) Uani 1 1 d . U . . .
H23A H 0.551221 0.089825 0.477799 0.012 Uiso 1 1 calc R U . . .
H23B H 0.575555 0.151126 0.508556 0.012 Uiso 1 1 calc R U . . .
C24P C 0.6273(5) 0.1353(8) 0.4709(4) 0.0145(19) Uani 1 1 d . U . . .
H24A H 0.645277 0.083355 0.481694 0.022 Uiso 1 1 calc R U . . .
H24B H 0.623901 0.127597 0.446124 0.022 Uiso 1 1 calc R U . . .
H24C H 0.648241 0.188913 0.476889 0.022 Uiso 1 1 calc R U . . .
C25P C 0.6842(4) 0.3897(7) 0.5533(3) 0.0088(13) Uani 1 1 d . U . . .
H25A H 0.664654 0.337063 0.560736 0.011 Uiso 1 1 calc R U . . .
H25B H 0.701587 0.419074 0.573899 0.011 Uiso 1 1 calc R U . . .
C26P C 0.7267(5) 0.3598(8) 0.5305(4) 0.0133(19) Uani 1 1 d . U . . .
H26A H 0.751356 0.318583 0.543154 0.020 Uiso 1 1 calc R U . . .
H26B H 0.709608 0.329856 0.510336 0.020 Uiso 1 1 calc R U . . .
H26C H 0.746507 0.411789 0.523487 0.020 Uiso 1 1 calc R U . . .
C27P C 0.6843(4) 0.6054(7) 0.5549(3) 0.0087(13) Uani 1 1 d . U . . .
H27A H 0.700894 0.574011 0.575238 0.010 Uiso 1 1 calc R U . . .
H27B H 0.665003 0.657948 0.562657 0.010 Uiso 1 1 calc R U . . .
C28P C 0.7282(5) 0.6357(8) 0.5320(3) 0.0114(18) Uani 1 1 d . U . . .
H28A H 0.753244 0.675528 0.545056 0.017 Uiso 1 1 calc R U . . .
H28B H 0.747396 0.583549 0.524605 0.017 Uiso 1 1 calc R U . . .
H28C H 0.711587 0.667292 0.512053 0.017 Uiso 1 1 calc R U . . .
C29P C 0.5722(5) 0.8558(7) 0.4885(4) 0.0114(13) Uani 1 1 d . U . . .
H29A H 0.576571 0.844103 0.513309 0.014 Uiso 1 1 calc R U . . .
H29B H 0.550972 0.910936 0.484799 0.014 Uiso 1 1 calc R U . . .
C30P C 0.6270(5) 0.8705(8) 0.4760(4) 0.017(2) Uani 1 1 d . U . . .
H30A H 0.644572 0.920651 0.488251 0.025 Uiso 1 1 calc R U . . .
H30B H 0.648634 0.816727 0.480032 0.025 Uiso 1 1 calc R U . . .
H30C H 0.623012 0.883621 0.451496 0.025 Uiso 1 1 calc R U . . .
C31P C 0.4780(5) 0.8588(8) 0.4265(4) 0.0114(13) Uani 1 1 d . U . . .
H31A H 0.485155 0.912887 0.440470 0.014 Uiso 1 1 calc R U . . .
H31B H 0.438810 0.850347 0.423395 0.014 Uiso 1 1 calc R U . . .
C32P C 0.4983(5) 0.8735(9) 0.3920(4) 0.019(2) Uani 1 1 d . U . . .
H32A H 0.480595 0.925543 0.381063 0.028 Uiso 1 1 calc R U . . .
H32B H 0.536887 0.883474 0.394758 0.028 Uiso 1 1 calc R U . . .
H32C H 0.490495 0.820870 0.377666 0.028 Uiso 1 1 calc R U . . .
C33P C 0.3780(5) 0.6160(8) 0.3514(4) 0.0120(13) Uani 1 1 d . U . . .
H33A H 0.363734 0.665309 0.364551 0.014 Uiso 1 1 calc R U . . .
H33B H 0.347405 0.586743 0.338326 0.014 Uiso 1 1 calc R U . . .
C34P C 0.4145(5) 0.6546(9) 0.3265(4) 0.017(2) Uani 1 1 d . U . . .
H34A H 0.394563 0.697044 0.311399 0.026 Uiso 1 1 calc R U . . .
H34B H 0.444492 0.685155 0.339162 0.026 Uiso 1 1 calc R U . . .
H34C H 0.428145 0.606497 0.312906 0.026 Uiso 1 1 calc R U . . .
C35P C 0.3752(4) 0.3993(8) 0.3505(3) 0.0101(13) Uani 1 1 d . U . . .
H35A H 0.345814 0.431684 0.337547 0.012 Uiso 1 1 calc R U . . .
H35B H 0.359311 0.350469 0.363137 0.012 Uiso 1 1 calc R U . . .
C36P C 0.4133(5) 0.3581(8) 0.3248(4) 0.016(2) Uani 1 1 d . U . . .
H36A H 0.392713 0.317909 0.308983 0.023 Uiso 1 1 calc R U . . .
H36B H 0.428536 0.406014 0.311873 0.023 Uiso 1 1 calc R U . . .
H36C H 0.442034 0.324796 0.337464 0.023 Uiso 1 1 calc R U . . .
C1A C 0.5939(7) 0.4723(13) 0.4110(5) 0.039(4) Uani 1 1 d . U . . .
C2A C 0.6245(8) 0.4011(15) 0.4205(6) 0.047(4) Uani 1 1 d . U . . .
C3A C 0.6134(9) 0.3231(14) 0.3965(6) 0.052(4) Uani 1 1 d . U . . .
C4A C 0.5700(8) 0.3614(14) 0.3713(6) 0.049(4) Uani 1 1 d . U . . .
C5A C 0.5610(8) 0.4466(15) 0.3797(6) 0.050(4) Uani 1 1 d . U . . .
C6A C 0.5466(6) 0.5115(13) 0.3561(5) 0.041(4) Uani 1 1 d . U . . .
C7A C 0.5419(6) 0.4987(13) 0.3213(5) 0.037(4) Uani 1 1 d . U . . .
C8A C 0.5578(7) 0.4031(14) 0.3121(6) 0.045(4) Uani 1 1 d . U . . .
C9A C 0.5717(6) 0.3337(11) 0.3376(5) 0.034(4) Uani 1 1 d . U . . .
C10A C 0.6130(8) 0.2697(13) 0.3303(7) 0.053(4) Uani 1 1 d . U . . .
C11A C 0.6392(8) 0.2825(11) 0.2967(5) 0.040(4) Uani 1 1 d . U . . .
C12A C 0.6218(8) 0.3517(13) 0.2732(5) 0.042(4) Uani 1 1 d . U . . .
C13A C 0.5781(8) 0.4114(14) 0.2818(6) 0.048(4) Uani 1 1 d . U . . .
C14A C 0.5786(7) 0.5023(12) 0.2703(5) 0.038(4) Uani 1 1 d . U . . .
C15A C 0.6209(9) 0.5366(15) 0.2524(6) 0.052(4) Uani 1 1 d . U . . .
C16A C 0.6583(9) 0.4844(15) 0.2426(6) 0.051(4) Uani 1 1 d . U . . .
C17A C 0.6575(10) 0.3883(13) 0.2539(6) 0.053(4) Uani 1 1 d . U . . .
C18A C 0.7134(10) 0.3599(13) 0.2584(6) 0.051(4) Uani 1 1 d . U . . .
C19A C 0.7480(9) 0.4326(13) 0.2513(5) 0.045(4) Uani 1 1 d . U . . .
C20A C 0.7132(8) 0.5085(12) 0.2416(5) 0.035(3) Uani 1 1 d . U . . .
C21A C 0.7305(9) 0.5949(13) 0.2506(5) 0.044(4) Uani 1 1 d . U . . .
C22A C 0.7812(9) 0.6077(14) 0.2664(6) 0.049(4) Uani 1 1 d . U . . .
C23A C 0.8176(9) 0.5410(16) 0.2739(6) 0.053(4) Uani 1 1 d . U . . .
C24A C 0.8019(9) 0.4472(15) 0.2673(6) 0.051(4) Uani 1 1 d . U . . .
C25A C 0.8225(10) 0.3807(16) 0.2925(7) 0.063(5) Uani 1 1 d . U . . .
C26A C 0.8498(8) 0.4034(14) 0.3216(6) 0.047(4) Uani 1 1 d . U . . .
C27A C 0.8670(7) 0.5006(13) 0.3317(6) 0.041(4) Uani 1 1 d . U . . .
C28A C 0.8510(8) 0.5611(16) 0.3067(7) 0.056(4) Uani 1 1 d . U . . .
C29A C 0.8323(8) 0.6445(14) 0.3153(6) 0.054(4) Uani 1 1 d . U . . .
C30A C 0.8308(7) 0.6696(11) 0.3511(5) 0.037(4) Uani 1 1 d . U . . .
C31A C 0.8459(8) 0.6119(14) 0.3771(6) 0.053(4) Uani 1 1 d . U . . .
C32A C 0.8647(6) 0.5178(14) 0.3669(6) 0.042(4) Uani 1 1 d . U . . .
C33A C 0.8494(7) 0.4572(16) 0.3920(6) 0.054(4) Uani 1 1 d . U . . .
C34A C 0.8273(6) 0.5081(12) 0.4178(6) 0.039(4) Uani 1 1 d . U . . .
C35A C 0.8255(7) 0.6026(13) 0.4077(6) 0.047(4) Uani 1 1 d . U . . .
C36A C 0.7869(8) 0.6611(12) 0.4144(6) 0.046(4) Uani 1 1 d . U . . .
C37A C 0.7445(8) 0.6261(12) 0.4348(5) 0.041(4) Uani 1 1 d . U . . .
C38A C 0.7476(8) 0.5283(14) 0.4459(5) 0.046(4) Uani 1 1 d . U . . .
C39A C 0.7860(7) 0.4755(14) 0.4357(6) 0.046(4) Uani 1 1 d . U . . .
C40A C 0.7690(8) 0.3811(13) 0.4298(6) 0.046(4) Uani 1 1 d . U . . .
C41A C 0.7162(9) 0.3534(12) 0.4305(5) 0.046(4) Uani 1 1 d . U . . .
C42A C 0.6722(7) 0.4147(11) 0.4378(5) 0.033(3) Uani 1 1 d . U . . .
C43A C 0.6925(7) 0.5005(11) 0.4468(4) 0.028(3) Uani 1 1 d . U . . .
C44A C 0.6596(8) 0.5761(12) 0.4374(5) 0.036(4) Uani 1 1 d . U . . .
C45A C 0.6094(7) 0.5648(13) 0.4182(5) 0.038(4) Uani 1 1 d . U . . .
C46A C 0.5921(8) 0.6338(15) 0.3956(6) 0.049(4) Uani 1 1 d . U . . .
C47A C 0.6188(7) 0.7110(13) 0.3910(6) 0.042(4) Uani 1 1 d . U . . .
C48A C 0.6747(9) 0.7247(12) 0.4055(6) 0.049(4) Uani 1 1 d . U . . .
C49A C 0.6935(9) 0.6497(12) 0.4299(5) 0.042(4) Uani 1 1 d . U . . .
C50A C 0.7671(8) 0.7281(11) 0.3922(5) 0.041(4) Uani 1 1 d . U . . .
C51A C 0.7114(8) 0.7606(12) 0.3877(6) 0.045(4) Uani 1 1 d . U . . .
C52A C 0.7021(7) 0.7817(11) 0.3499(6) 0.041(4) Uani 1 1 d . U . . .
C53A C 0.7505(7) 0.7637(11) 0.3361(6) 0.041(4) Uani 1 1 d . U . . .
C54A C 0.7888(8) 0.7331(12) 0.3597(6) 0.045(4) Uani 1 1 d . U . . .
C55A C 0.7896(8) 0.6790(13) 0.2935(6) 0.047(4) Uani 1 1 d . U . . .
C56A C 0.7472(9) 0.7354(12) 0.3008(6) 0.051(4) Uani 1 1 d . U . . .
C57A C 0.6990(9) 0.7260(12) 0.2845(6) 0.047(4) Uani 1 1 d . U . . .
C58A C 0.6888(9) 0.6555(12) 0.2585(5) 0.044(4) Uani 1 1 d . U . . .
C59A C 0.6374(10) 0.6293(13) 0.2595(6) 0.053(4) Uani 1 1 d . U . . .
C60A C 0.6120(8) 0.6743(13) 0.2833(5) 0.042(4) Uani 1 1 d . U . . .
C61A C 0.6479(7) 0.7382(11) 0.2996(5) 0.036(3) Uani 1 1 d . U . . .
C62A C 0.6508(8) 0.7688(12) 0.3367(6) 0.049(4) Uani 1 1 d . U . . .
C63A C 0.6088(8) 0.7351(13) 0.3551(6) 0.048(4) Uani 1 1 d . U . . .
C64A C 0.5721(6) 0.6698(10) 0.3382(5) 0.029(3) Uani 1 1 d . U . . .
C65A C 0.5714(7) 0.6380(13) 0.3045(5) 0.042(4) Uani 1 1 d . U . . .
C66A C 0.5550(7) 0.5491(15) 0.2966(6) 0.047(4) Uani 1 1 d . U . . .
C67A C 0.5613(6) 0.6087(14) 0.3656(5) 0.042(4) Uani 1 1 d . U . . .
C68A C 0.6528(8) 0.2401(11) 0.3527(6) 0.041(4) Uani 1 1 d . U . . .
C69A C 0.6538(8) 0.2700(12) 0.3903(6) 0.046(4) Uani 1 1 d . U . . .
C70A C 0.7052(9) 0.2850(11) 0.4055(6) 0.045(4) Uani 1 1 d . U . . .
C71A C 0.7582(7) 0.2758(10) 0.3892(5) 0.033(3) Uani 1 1 d . U . . .
C72A C 0.7524(8) 0.2531(12) 0.3530(6) 0.049(4) Uani 1 1 d . U . . .
C73A C 0.7040(8) 0.2344(11) 0.3397(6) 0.046(4) Uani 1 1 d . U . . .
C74A C 0.6930(9) 0.2618(12) 0.3022(6) 0.052(4) Uani 1 1 d . U . . .
C75A C 0.7312(9) 0.2969(13) 0.2846(6) 0.049(4) Uani 1 1 d . U . . .
C76A C 0.7847(9) 0.3122(13) 0.2985(6) 0.052(4) Uani 1 1 d . U . . .
C77A C 0.7932(8) 0.2883(13) 0.3353(7) 0.054(4) Uani 1 1 d . U . . .
C78A C 0.8332(7) 0.3457(12) 0.3506(6) 0.041(4) Uani 1 1 d . U . . .
C79A C 0.8350(7) 0.3750(14) 0.3842(6) 0.051(4) Uani 1 1 d . U . . .
C80A C 0.7935(7) 0.3353(11) 0.4060(5) 0.036(4) Uani 1 1 d . U . . .
C1S C 0.7070(7) 0.0074(11) 0.3319(4) 0.031(4) Uani 1 1 d . . . . .
H1S H 0.730739 0.010270 0.314535 0.038 Uiso 1 1 calc R U . . .
C2S C 0.6529(7) 0.0059(13) 0.3237(5) 0.037(4) Uani 1 1 d . . . . .
H2S H 0.639323 0.005753 0.300388 0.045 Uiso 1 1 calc R U . . .
C3S C 0.6175(6) 0.0045(12) 0.3489(5) 0.033(4) Uani 1 1 d . . . . .
H3S H 0.580067 0.005178 0.343031 0.040 Uiso 1 1 calc R U . . .
C4S C 0.6377(6) 0.0022(9) 0.3817(4) 0.023(3) Uani 1 1 d . . . . .
H4S H 0.613883 -0.000212 0.399080 0.028 Uiso 1 1 calc R U . . .
C5S C 0.6925(5) 0.0031(9) 0.3910(4) 0.019(3) Uani 1 1 d . . . . .
H5S H 0.705839 0.002556 0.414368 0.022 Uiso 1 1 calc R U . . .
C6S C 0.7268(6) 0.0049(11) 0.3658(5) 0.030(4) Uani 1 1 d . . . . .
H6S H 0.764220 0.004283 0.371643 0.036 Uiso 1 1 calc R U . . .
C7S C 0.5505(13) 0.143(2) 0.2474(12) 0.126(19) Uani 1 1 d . . . . .
H7S H 0.588177 0.146368 0.247685 0.151 Uiso 1 1 calc R U . . .
C8S C 0.5282(11) 0.137(2) 0.2806(9) 0.088(10) Uani 1 1 d . . . . .
H8S H 0.550276 0.129719 0.301252 0.106 Uiso 1 1 calc R U . . .
C9S C 0.4749(9) 0.144(2) 0.2802(7) 0.071(8) Uani 1 1 d . . . . .
H9S H 0.457888 0.148598 0.300701 0.086 Uiso 1 1 calc R U . . .
C10S C 0.5519(10) -0.131(2) 0.2495(10) 0.108(15) Uani 1 1 d . . . . .
H10S H 0.589639 -0.126966 0.249732 0.130 Uiso 1 1 calc R U . . .
C11S C 0.5307(10) -0.1323(19) 0.2809(10) 0.097(12) Uani 1 1 d . . . . .
H11S H 0.553073 -0.131960 0.301601 0.116 Uiso 1 1 calc R U . . .
C12S C 0.4758(8) -0.1342(17) 0.2808(8) 0.066(7) Uani 1 1 d . . . . .
H12S H 0.458846 -0.137870 0.301286 0.079 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 Dy1D 1.972(11) . ?
N1 Er1B 2.010(11) . ?
N1 Er1A 2.012(10) . ?
N1 Dy1A 2.047(10) . ?
N1 Er2A 2.052(10) . ?
N1 Dy1B 2.100(11) . ?
Er1A Er1B 0.524(4) . ?
Er1A C23A 2.385(19) . ?
Er1A C28A 2.39(2) . ?
Er1A C24A 2.39(2) . ?
Er1A C26A 2.404(18) . ?
Er1A C25A 2.45(2) . ?
Er1A C27A 2.446(17) . ?
Er1A C22A 2.772(19) . ?
Er1A C29A 2.794(19) . ?
Er1A C19A 2.86(2) . ?
Er1A C76A 2.866(18) . ?
Er2A Dy1B 0.700(5) . ?
Er2A C3A 2.338(19) . ?
Er2A C69A 2.371(17) . ?
Er2A C68A 2.382(16) . ?
Er2A C10A 2.41(2) . ?
Er2A C4A 2.420(17) . ?
Er2A C9A 2.428(15) . ?
Er2A C2A 2.77(2) . ?
Er2A C70A 2.784(17) . ?
Er2A C5A 2.80(2) . ?
Dy1A Dy1D 0.619(5) . ?
Dy1A C63A 2.332(18) . ?
Dy1A C62A 2.365(18) . ?
Dy1A C47A 2.365(17) . ?
Dy1A C48A 2.370(19) . ?
Dy1A C51A 2.456(18) . ?
Dy1A C52A 2.461(17) . ?
Dy1A C46A 2.66(2) . ?
Dy1A C64A 2.724(15) . ?
Dy1A C49A 2.83(2) . ?
Er1B C28A 2.22(2) . ?
Er1B C23A 2.298(19) . ?
Er1B C29A 2.391(19) . ?
Er1B C27A 2.480(18) . ?
Er1B C22A 2.49(2) . ?
Er1B C55A 2.592(18) . ?
Er1B C24A 2.61(2) . ?
Er1B C26A 2.735(19) . ?
Er1B C25A 2.84(2) . ?
Er1B C30A 2.845(17) . ?
Dy1B C68A 2.176(17) . ?
Dy1B C69A 2.200(18) . ?
Dy1B C73A 2.322(17) . ?
Dy1B C70A 2.347(18) . ?
Dy1B C3A 2.54(2) . ?
Dy1B C10A 2.54(2) . ?
Dy1B C72A 2.567(19) . ?
Dy1B C71A 2.642(17) . ?
Dy1B C74A 2.82(2) . ?
Dy1D C63A 2.317(19) . ?
Dy1D C64A 2.377(15) . ?
Dy1D C46A 2.38(2) . ?
Dy1D C47A 2.385(18) . ?
Dy1D C67A 2.437(16) . ?
Dy1D C62A 2.614(19) . ?
Dy1D C48A 2.70(2) . ?
Dy1D C65A 2.841(19) . ?
Dy1D C45A 2.869(17) . ?
Ni1P N2P 1.954(10) . ?
Ni1P N4P 1.968(11) . ?
Ni1P N1P 1.976(9) . ?
Ni1P N3P 1.992(9) . ?
N1P C1P 1.376(15) . ?
N1P C4P 1.376(15) . ?
N2P C9P 1.377(15) . ?
N2P C6P 1.382(14) . ?
N3P C11P 1.352(15) . ?
N3P C14P 1.358(15) . ?
N4P C16P 1.365(15) . ?
N4P C19P 1.373(15) . ?
C1P C20P 1.382(17) . ?
C1P C2P 1.439(15) . ?
C2P C3P 1.375(18) . ?
C2P C21P 1.479(16) . ?
C3P C4P 1.441(15) . ?
C3P C23P 1.491(16) . ?
C4P C5P 1.359(17) . ?
C5P C6P 1.386(15) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.432(17) . ?
C7P C8P 1.346(15) . ?
C7P C25P 1.521(16) . ?
C8P C9P 1.413(17) . ?
C8P C27P 1.521(16) . ?
C9P C10P 1.396(15) . ?
C10P C11P 1.365(17) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.457(15) . ?
C12P C13P 1.361(18) . ?
C12P C29P 1.495(16) . ?
C13P C14P 1.435(15) . ?
C13P C31P 1.492(16) . ?
C14P C15P 1.351(17) . ?
C15P C16P 1.389(16) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.427(18) . ?
C17P C18P 1.366(16) . ?
C17P C33P 1.477(16) . ?
C18P C35P 1.462(17) . ?
C18P C19P 1.466(17) . ?
C19P C20P 1.353(15) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.525(19) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.527(16) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.525(16) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.556(16) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.522(17) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.511(19) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.518(18) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.583(18) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
C1A C2A 1.35(3) . ?
C1A C45A 1.46(3) . ?
C1A C5A 1.48(3) . ?
C2A C42A 1.34(3) . ?
C2A C3A 1.52(3) . ?
C3A C69A 1.33(3) . ?
C3A C4A 1.52(3) . ?
C4A C5A 1.35(3) . ?
C4A C9A 1.40(3) . ?
C5A C6A 1.37(3) . ?
C6A C7A 1.38(3) . ?
C6A C67A 1.54(3) . ?
C7A C66A 1.30(3) . ?
C7A C8A 1.54(3) . ?
C8A C13A 1.35(3) . ?
C8A C9A 1.47(3) . ?
C9A C10A 1.46(3) . ?
C10A C68A 1.35(3) . ?
C10A C11A 1.54(3) . ?
C11A C74A 1.39(3) . ?
C11A C12A 1.43(3) . ?
C12A C17A 1.35(3) . ?
C12A C13A 1.48(3) . ?
C13A C14A 1.44(3) . ?
C14A C15A 1.42(3) . ?
C14A C66A 1.43(3) . ?
C15A C16A 1.31(3) . ?
C15A C59A 1.47(3) . ?
C16A C20A 1.43(3) . ?
C16A C17A 1.51(3) . ?
C17A C18A 1.47(3) . ?
C18A C19A 1.44(3) . ?
C18A C75A 1.44(3) . ?
C19A C24A 1.46(3) . ?
C19A C20A 1.47(3) . ?
C20A C21A 1.41(3) . ?
C21A C22A 1.38(3) . ?
C21A C58A 1.44(3) . ?
C22A C23A 1.37(3) . ?
C22A C55A 1.52(3) . ?
C23A C24A 1.48(3) . ?
C23A C28A 1.51(3) . ?
C24A C25A 1.47(3) . ?
C25A C26A 1.33(3) . ?
C25A C76A 1.44(3) . ?
C26A C78A 1.52(3) . ?
C26A C27A 1.56(3) . ?
C27A C28A 1.37(3) . ?
C27A C32A 1.42(3) . ?
C28A C29A 1.39(3) . ?
C29A C55A 1.41(3) . ?
C29A C30A 1.47(3) . ?
C30A C31A 1.37(3) . ?
C30A C54A 1.49(3) . ?
C31A C35A 1.36(3) . ?
C31A C32A 1.56(3) . ?
C32A C33A 1.42(3) . ?
C33A C79A 1.32(3) . ?
C33A C34A 1.42(3) . ?
C34A C39A 1.40(3) . ?
C34A C35A 1.48(3) . ?
C35A C36A 1.35(3) . ?
C36A C50A 1.40(3) . ?
C36A C37A 1.49(3) . ?
C37A C49A 1.33(3) . ?
C37A C38A 1.53(3) . ?
C38A C39A 1.34(3) . ?
C38A C43A 1.45(3) . ?
C39A C40A 1.49(3) . ?
C40A C80A 1.36(3) . ?
C40A C41A 1.40(3) . ?
C41A C70A 1.44(3) . ?
C41A C42A 1.49(3) . ?
C42A C43A 1.42(2) . ?
C43A C44A 1.43(2) . ?
C44A C45A 1.42(3) . ?
C44A C49A 1.44(3) . ?
C45A C46A 1.41(3) . ?
C46A C47A 1.36(3) . ?
C46A C67A 1.40(3) . ?
C47A C63A 1.46(3) . ?
C47A C48A 1.48(3) . ?
C48A C51A 1.33(3) . ?
C48A C49A 1.53(3) . ?
C50A C54A 1.44(3) . ?
C50A C51A 1.48(3) . ?
C51A C52A 1.52(3) . ?
C52A C62A 1.36(3) . ?
C52A C53A 1.41(3) . ?
C53A C54A 1.36(3) . ?
C53A C56A 1.45(3) . ?
C55A C56A 1.41(3) . ?
C56A C57A 1.33(3) . ?
C57A C61A 1.48(3) . ?
C57A C58A 1.48(3) . ?
C58A C59A 1.36(3) . ?
C59A C60A 1.36(3) . ?
C60A C61A 1.43(3) . ?
C60A C65A 1.48(3) . ?
C61A C62A 1.53(3) . ?
C62A C63A 1.43(3) . ?
C63A C64A 1.47(3) . ?
C64A C65A 1.41(3) . ?
C64A C67A 1.46(3) . ?
C65A C66A 1.42(3) . ?
C68A C73A 1.43(3) . ?
C68A C69A 1.55(3) . ?
C69A C70A 1.40(3) . ?
C70A C71A 1.54(3) . ?
C71A C80A 1.39(3) . ?
C71A C72A 1.46(3) . ?
C72A C73A 1.31(3) . ?
C72A C77A 1.39(3) . ?
C73A C74A 1.54(3) . ?
C74A C75A 1.34(3) . ?
C75A C76A 1.43(3) . ?
C76A C77A 1.49(3) . ?
C77A C78A 1.42(3) . ?
C78A C79A 1.39(3) . ?
C79A C80A 1.53(3) . ?
C1S C2S 1.37(3) . ?
C1S C6S 1.38(3) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.39(3) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.35(3) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.39(2) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.38(2) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C7S C9S 1.21(5) 2_655 ?
C7S C8S 1.47(5) . ?
C7S H7S 0.9500 . ?
C8S C9S 1.34(4) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S C12S 1.33(4) 2_655 ?
C10S C11S 1.39(5) . ?
C10S H10S 0.9500 . ?
C11S C12S 1.38(3) . ?
C11S H11S 0.9500 . ?
C12S H12S 0.9500 . ?

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
Dy1D N1 Er1B 122.6(5) . . ?
Dy1D N1 Er1A 137.3(6) . . ?
Er1B N1 Er1A 14.97(15) . . ?
Dy1D N1 Dy1A 17.60(16) . . ?
Er1B N1 Dy1A 108.1(5) . . ?
Er1A N1 Dy1A 123.1(5) . . ?
Dy1D N1 Er2A 99.3(4) . . ?
Er1B N1 Er2A 136.5(5) . . ?
Er1A N1 Er2A 121.6(5) . . ?
Dy1A N1 Er2A 115.1(5) . . ?
Dy1D N1 Dy1B 116.9(5) . . ?
Er1B N1 Dy1B 120.4(5) . . ?
Er1A N1 Dy1B 105.5(5) . . ?
Dy1A N1 Dy1B 131.0(5) . . ?
Er2A N1 Dy1B 19.37(17) . . ?
Er1B Er1A N1 82.3(7) . . ?
Er1B Er1A C23A 74.2(9) . . ?
N1 Er1A C23A 146.6(7) . . ?
Er1B Er1A C28A 65.6(9) . . ?
N1 Er1A C28A 145.0(7) . . ?
C23A Er1A C28A 36.9(8) . . ?
Er1B Er1A C24A 108.6(9) . . ?
N1 Er1A C24A 144.1(7) . . ?
C23A Er1A C24A 36.2(8) . . ?
C28A Er1A C24A 64.6(9) . . ?
Er1B Er1A C26A 124.5(9) . . ?
N1 Er1A C26A 139.9(6) . . ?
C23A Er1A C26A 73.5(8) . . ?
C28A Er1A C26A 61.3(8) . . ?
C24A Er1A C26A 61.5(7) . . ?
Er1B Er1A C25A 135.1(9) . . ?
N1 Er1A C25A 142.1(7) . . ?
C23A Er1A C25A 62.8(8) . . ?
C28A Er1A C25A 72.2(9) . . ?
C24A Er1A C25A 35.3(8) . . ?
C26A Er1A C25A 31.8(8) . . ?
Er1B Er1A C27A 87.5(8) . . ?
N1 Er1A C27A 138.9(6) . . ?
C23A Er1A C27A 64.2(8) . . ?
C28A Er1A C27A 33.0(7) . . ?
C24A Er1A C27A 76.7(8) . . ?
C26A Er1A C27A 37.6(7) . . ?
C25A Er1A C27A 63.2(8) . . ?
Er1B Er1A C22A 53.3(8) . . ?
N1 Er1A C22A 117.1(5) . . ?
C23A Er1A C22A 29.6(7) . . ?
C28A Er1A C22A 53.9(8) . . ?
C24A Er1A C22A 56.5(7) . . ?
C26A Er1A C22A 103.0(7) . . ?
C25A Er1A C22A 89.6(8) . . ?
C27A Er1A C22A 86.6(7) . . ?
Er1B Er1A C29A 36.1(8) . . ?
N1 Er1A C29A 116.2(6) . . ?
C23A Er1A C29A 51.0(8) . . ?
C28A Er1A C29A 29.8(7) . . ?
C24A Er1A C29A 86.5(8) . . ?
C26A Er1A C29A 89.1(7) . . ?
C25A Er1A C29A 101.6(8) . . ?
C27A Er1A C29A 54.0(7) . . ?
C22A Er1A C29A 48.5(7) . . ?
Er1B Er1A C19A 110.1(8) . . ?
N1 Er1A C19A 113.5(6) . . ?
C23A Er1A C19A 56.0(7) . . ?
C28A Er1A C19A 91.3(8) . . ?
C24A Er1A C19A 30.6(7) . . ?
C26A Er1A C19A 86.7(7) . . ?
C25A Er1A C19A 55.4(8) . . ?
C27A Er1A C19A 107.4(6) . . ?
C22A Er1A C19A 59.8(7) . . ?
C29A Er1A C19A 104.7(7) . . ?
Er1B Er1A C76A 162.7(9) . . ?
N1 Er1A C76A 112.0(5) . . ?
C23A Er1A C76A 88.8(7) . . ?
C28A Er1A C76A 102.1(7) . . ?
C24A Er1A C76A 54.2(7) . . ?
C26A Er1A C76A 50.0(7) . . ?
C25A Er1A C76A 30.1(7) . . ?
C27A Er1A C76A 87.3(7) . . ?
C22A Er1A C76A 109.9(7) . . ?
C29A Er1A C76A 131.7(7) . . ?
C19A Er1A C76A 56.2(6) . . ?
Dy1B Er2A N1 84.2(5) . . ?
Dy1B Er2A C3A 98.5(7) . . ?
N1 Er2A C3A 146.6(7) . . ?
Dy1B Er2A C69A 67.5(6) . . ?
N1 Er2A C69A 144.2(7) . . ?
C3A Er2A C69A 32.9(7) . . ?
Dy1B Er2A C68A 64.6(6) . . ?
N1 Er2A C68A 143.6(6) . . ?
C3A Er2A C68A 61.5(8) . . ?
C69A Er2A C68A 37.9(7) . . ?
Dy1B Er2A C10A 92.6(6) . . ?
N1 Er2A C10A 143.2(7) . . ?
C3A Er2A C10A 70.2(8) . . ?
C69A Er2A C10A 62.8(8) . . ?
C68A Er2A C10A 32.7(7) . . ?
Dy1B Er2A C4A 132.1(7) . . ?
N1 Er2A C4A 141.2(6) . . ?
C3A Er2A C4A 37.3(8) . . ?
C69A Er2A C4A 64.9(7) . . ?
C68A Er2A C4A 74.7(7) . . ?
C10A Er2A C4A 61.0(8) . . ?
Dy1B Er2A C9A 126.8(6) . . ?
N1 Er2A C9A 139.8(6) . . ?
C3A Er2A C9A 62.3(7) . . ?
C69A Er2A C9A 76.0(7) . . ?
C68A Er2A C9A 62.8(6) . . ?
C10A Er2A C9A 35.2(6) . . ?
C4A Er2A C9A 33.5(7) . . ?
Dy1B Er2A C2A 102.9(6) . . ?
N1 Er2A C2A 113.5(5) . . ?
C3A Er2A C2A 33.2(7) . . ?
C69A Er2A C2A 56.4(7) . . ?
C68A Er2A C2A 92.3(7) . . ?
C10A Er2A C2A 102.9(7) . . ?
C4A Er2A C2A 53.3(7) . . ?
C9A Er2A C2A 86.3(6) . . ?
Dy1B Er2A C70A 45.5(6) . . ?
N1 Er2A C70A 114.2(6) . . ?
C3A Er2A C70A 54.4(7) . . ?
C69A Er2A C70A 30.1(6) . . ?
C68A Er2A C70A 56.1(7) . . ?
C10A Er2A C70A 87.6(7) . . ?
C4A Er2A C70A 91.2(7) . . ?
C9A Er2A C70A 106.0(6) . . ?
C2A Er2A C70A 60.2(7) . . ?
Dy1B Er2A C5A 149.8(6) . . ?
N1 Er2A C5A 113.0(5) . . ?
C3A Er2A C5A 53.3(7) . . ?
C69A Er2A C5A 86.0(7) . . ?
C68A Er2A C5A 103.2(7) . . ?
C10A Er2A C5A 87.4(7) . . ?
C4A Er2A C5A 28.8(7) . . ?
C9A Er2A C5A 54.3(7) . . ?
C2A Er2A C5A 48.1(7) . . ?
C70A Er2A C5A 104.4(6) . . ?
Dy1D Dy1A N1 74.3(5) . . ?
Dy1D Dy1A C63A 81.0(7) . . ?
N1 Dy1A C63A 151.5(7) . . ?
Dy1D Dy1A C62A 107.0(7) . . ?
N1 Dy1A C62A 142.8(7) . . ?
C63A Dy1A C62A 35.4(7) . . ?
Dy1D Dy1A C47A 84.4(7) . . ?
N1 Dy1A C47A 149.6(6) . . ?
C63A Dy1A C47A 36.2(7) . . ?
C62A Dy1A C47A 64.1(8) . . ?
Dy1D Dy1A C48A 116.4(7) . . ?
N1 Dy1A C48A 141.4(7) . . ?
C63A Dy1A C48A 63.5(8) . . ?
C62A Dy1A C48A 72.7(8) . . ?
C47A Dy1A C48A 36.5(7) . . ?
Dy1D Dy1A C51A 145.7(7) . . ?
N1 Dy1A C51A 136.3(6) . . ?
C63A Dy1A C51A 71.7(7) . . ?
C62A Dy1A C51A 60.1(8) . . ?
C47A Dy1A C51A 61.4(7) . . ?
C48A Dy1A C51A 31.9(7) . . ?
Dy1D Dy1A C52A 139.7(6) . . ?
N1 Dy1A C52A 134.2(5) . . ?
C63A Dy1A C52A 62.2(7) . . ?
C62A Dy1A C52A 32.7(6) . . ?
C47A Dy1A C52A 75.6(7) . . ?
C48A Dy1A C52A 62.5(7) . . ?
C51A Dy1A C52A 36.0(7) . . ?
Dy1D Dy1A C46A 57.5(7) . . ?
N1 Dy1A C46A 119.7(6) . . ?
C63A Dy1A C46A 53.6(7) . . ?
C62A Dy1A C46A 88.4(7) . . ?
C47A Dy1A C46A 30.7(7) . . ?
C48A Dy1A C46A 59.0(7) . . ?
C51A Dy1A C46A 89.2(7) . . ?
C52A Dy1A C46A 106.0(7) . . ?
Dy1D Dy1A C64A 50.3(5) . . ?
N1 Dy1A C64A 119.4(5) . . ?
C63A Dy1A C64A 32.5(6) . . ?
C62A Dy1A C64A 57.9(6) . . ?
C47A Dy1A C64A 55.2(6) . . ?
C48A Dy1A C64A 90.5(7) . . ?
C51A Dy1A C64A 104.2(6) . . ?
C52A Dy1A C64A 90.0(5) . . ?
C46A Dy1A C64A 51.4(6) . . ?
Dy1D Dy1A C49A 107.7(7) . . ?
N1 Dy1A C49A 109.5(5) . . ?
C63A Dy1A C49A 91.3(7) . . ?
C62A Dy1A C49A 105.3(7) . . ?
C47A Dy1A C49A 56.5(6) . . ?
C48A Dy1A C49A 32.7(6) . . ?
C51A Dy1A C49A 54.1(7) . . ?
C52A Dy1A C49A 89.9(7) . . ?
C46A Dy1A C49A 61.0(7) . . ?
C64A Dy1A C49A 109.1(6) . . ?
Er1A Er1B N1 82.7(7) . . ?
Er1A Er1B C28A 102.0(9) . . ?
N1 Er1B C28A 165.1(8) . . ?
Er1A Er1B C23A 93.2(9) . . ?
N1 Er1B C23A 155.8(8) . . ?
C28A Er1B C23A 38.9(9) . . ?
Er1A Er1B C29A 136.5(9) . . ?
N1 Er1B C29A 137.2(7) . . ?
C28A Er1B C29A 34.8(8) . . ?
C23A Er1B C29A 57.6(9) . . ?
Er1A Er1B C27A 80.3(8) . . ?
N1 Er1B C27A 136.8(7) . . ?
C28A Er1B C27A 33.4(7) . . ?
C23A Er1B C27A 64.9(8) . . ?
C29A Er1B C27A 59.0(7) . . ?
Er1A Er1B C22A 117.0(9) . . ?
N1 Er1B C22A 130.7(7) . . ?
C28A Er1B C22A 59.8(8) . . ?
C23A Er1B C22A 32.9(7) . . ?
C29A Er1B C22A 55.8(8) . . ?
C27A Er1B C22A 92.3(7) . . ?
Er1A Er1B C55A 149.8(9) . . ?
N1 Er1B C55A 122.3(6) . . ?
C28A Er1B C55A 58.6(8) . . ?
C23A Er1B C55A 56.9(8) . . ?
C29A Er1B C55A 32.6(7) . . ?
C27A Er1B C55A 89.4(7) . . ?
C22A Er1B C55A 34.6(7) . . ?
Er1A Er1B C24A 60.4(8) . . ?
N1 Er1B C24A 130.0(7) . . ?
C28A Er1B C24A 63.3(9) . . ?
C23A Er1B C24A 34.5(8) . . ?
C29A Er1B C24A 90.9(8) . . ?
C27A Er1B C24A 72.3(7) . . ?
C22A Er1B C24A 57.8(7) . . ?
C55A Er1B C24A 89.4(7) . . ?
Er1A Er1B C26A 46.4(8) . . ?
N1 Er1B C26A 121.3(6) . . ?
C28A Er1B C26A 58.0(8) . . ?
C23A Er1B C26A 68.8(8) . . ?
C29A Er1B C26A 90.8(7) . . ?
C27A Er1B C26A 34.5(6) . . ?
C22A Er1B C26A 101.7(7) . . ?
C55A Er1B C26A 115.9(7) . . ?
C24A Er1B C26A 54.6(7) . . ?
Er1A Er1B C25A 37.4(8) . . ?
N1 Er1B C25A 119.8(7) . . ?
C28A Er1B C25A 67.1(8) . . ?
C23A Er1B C25A 57.5(8) . . ?
C29A Er1B C25A 101.7(8) . . ?
C27A Er1B C25A 57.1(7) . . ?
C22A Er1B C25A 87.1(8) . . ?
C55A Er1B C25A 114.1(8) . . ?
C24A Er1B C25A 30.9(7) . . ?
C26A Er1B C25A 27.5(7) . . ?
Er1A Er1B C30A 139.5(9) . . ?
N1 Er1B C30A 110.5(5) . . ?
C28A Er1B C30A 57.0(8) . . ?
C23A Er1B C30A 88.1(7) . . ?
C29A Er1B C30A 31.0(7) . . ?
C27A Er1B C30A 63.7(6) . . ?
C22A Er1B C30A 84.0(7) . . ?
C55A Er1B C30A 52.5(7) . . ?
C24A Er1B C30A 119.5(7) . . ?
C26A Er1B C30A 97.8(6) . . ?
C25A Er1B C30A 119.6(7) . . ?
Er2A Dy1B N1 76.5(5) . . ?
Er2A Dy1B C68A 98.5(7) . . ?
N1 Dy1B C68A 160.5(7) . . ?
Er2A Dy1B C69A 95.4(7) . . ?
N1 Dy1B C69A 156.5(7) . . ?
C68A Dy1B C69A 41.4(8) . . ?
Er2A Dy1B C73A 128.7(7) . . ?
N1 Dy1B C73A 134.6(7) . . ?
C68A Dy1B C73A 37.0(7) . . ?
C69A Dy1B C73A 67.4(8) . . ?
Er2A Dy1B C70A 122.3(7) . . ?
N1 Dy1B C70A 133.0(7) . . ?
C68A Dy1B C70A 65.7(8) . . ?
C69A Dy1B C70A 35.6(7) . . ?
C73A Dy1B C70A 70.7(8) . . ?
Er2A Dy1B C3A 65.7(6) . . ?
N1 Dy1B C3A 129.9(7) . . ?
C68A Dy1B C3A 61.0(8) . . ?
C69A Dy1B C3A 31.7(7) . . ?
C73A Dy1B C3A 95.2(8) . . ?
C70A Dy1B C3A 58.1(7) . . ?
Er2A Dy1B C10A 71.4(6) . . ?
N1 Dy1B C10A 131.6(7) . . ?
C68A Dy1B C10A 32.1(7) . . ?
C69A Dy1B C10A 63.0(8) . . ?
C73A Dy1B C10A 57.5(7) . . ?
C70A Dy1B C10A 95.0(8) . . ?
C3A Dy1B C10A 65.0(8) . . ?
Er2A Dy1B C72A 159.2(7) . . ?
N1 Dy1B C72A 117.0(6) . . ?
C68A Dy1B C72A 63.4(7) . . ?
C69A Dy1B C72A 77.8(7) . . ?
C73A Dy1B C72A 30.6(7) . . ?
C70A Dy1B C72A 61.6(8) . . ?
C3A Dy1B C72A 109.4(7) . . ?
C10A Dy1B C72A 88.1(7) . . ?
Er2A Dy1B C71A 157.5(6) . . ?
N1 Dy1B C71A 116.6(6) . . ?
C68A Dy1B C71A 74.9(7) . . ?
C69A Dy1B C71A 65.2(7) . . ?
C73A Dy1B C71A 56.4(7) . . ?
C70A Dy1B C71A 35.3(7) . . ?
C3A Dy1B C71A 92.8(7) . . ?
C10A Dy1B C71A 106.5(6) . . ?
C72A Dy1B C71A 32.6(7) . . ?
Er2A Dy1B C74A 109.4(7) . . ?
N1 Dy1B C74A 109.4(6) . . ?
C68A Dy1B C74A 54.0(7) . . ?
C69A Dy1B C74A 94.1(8) . . ?
C73A Dy1B C74A 33.0(7) . . ?
C70A Dy1B C74A 103.7(7) . . ?
C3A Dy1B C74A 113.3(7) . . ?
C10A Dy1B C74A 52.6(7) . . ?
C72A Dy1B C74A 52.5(7) . . ?
C71A Dy1B C74A 84.5(7) . . ?
Dy1A Dy1D N1 88.1(5) . . ?
Dy1A Dy1D C63A 83.7(7) . . ?
N1 Dy1D C63A 163.4(7) . . ?
Dy1A Dy1D C64A 118.2(6) . . ?
N1 Dy1D C64A 143.6(7) . . ?
C63A Dy1D C64A 36.4(7) . . ?
Dy1A Dy1D C46A 109.9(8) . . ?
N1 Dy1D C46A 138.8(7) . . ?
C63A Dy1D C46A 57.7(7) . . ?
C64A Dy1D C46A 58.7(7) . . ?
Dy1A Dy1D C47A 80.7(7) . . ?
N1 Dy1D C47A 155.4(7) . . ?
C63A Dy1D C47A 36.1(7) . . ?
C64A Dy1D C47A 59.9(7) . . ?
C46A Dy1D C47A 33.2(7) . . ?
Dy1A Dy1D C67A 136.4(8) . . ?
N1 Dy1D C67A 134.2(6) . . ?
C63A Dy1D C67A 57.8(7) . . ?
C64A Dy1D C67A 35.3(6) . . ?
C46A Dy1D C67A 33.8(7) . . ?
C47A Dy1D C67A 56.4(7) . . ?
Dy1A Dy1D C62A 59.9(6) . . ?
N1 Dy1D C62A 131.1(6) . . ?
C63A Dy1D C62A 33.0(7) . . ?
C64A Dy1D C62A 59.4(6) . . ?
C46A Dy1D C62A 89.0(7) . . ?
C47A Dy1D C62A 60.1(8) . . ?
C67A Dy1D C62A 89.4(7) . . ?
Dy1A Dy1D C48A 51.7(6) . . ?
N1 Dy1D C48A 125.5(7) . . ?
C63A Dy1D C48A 58.5(8) . . ?
C64A Dy1D C48A 90.9(7) . . ?
C46A Dy1D C48A 58.2(7) . . ?
C47A Dy1D C48A 33.2(6) . . ?
C67A Dy1D C48A 88.3(7) . . ?
C62A Dy1D C48A 63.7(7) . . ?
Dy1A Dy1D C65A 123.2(7) . . ?
N1 Dy1D C65A 115.3(6) . . ?
C63A Dy1D C65A 59.0(7) . . ?
C64A Dy1D C65A 29.7(6) . . ?
C46A Dy1D C65A 86.1(7) . . ?
C47A Dy1D C65A 89.0(6) . . ?
C67A Dy1D C65A 55.5(6) . . ?
C62A Dy1D C65A 66.6(6) . . ?
C48A Dy1D C65A 117.4(7) . . ?
Dy1A Dy1D C45A 110.2(7) . . ?
N1 Dy1D C45A 110.2(5) . . ?
C63A Dy1D C45A 86.2(7) . . ?
C64A Dy1D C45A 85.3(6) . . ?
C46A Dy1D C45A 29.3(6) . . ?
C47A Dy1D C45A 55.1(7) . . ?
C67A Dy1D C45A 52.9(6) . . ?
C62A Dy1D C45A 115.0(6) . . ?
C48A Dy1D C45A 64.6(6) . . ?
C65A Dy1D C45A 108.3(6) . . ?
N2P Ni1P N4P 176.9(4) . . ?
N2P Ni1P N1P 90.2(4) . . ?
N4P Ni1P N1P 89.9(4) . . ?
N2P Ni1P N3P 90.0(4) . . ?
N4P Ni1P N3P 89.8(4) . . ?
N1P Ni1P N3P 177.8(4) . . ?
C1P N1P C4P 105.0(9) . . ?
C1P N1P Ni1P 128.0(8) . . ?
C4P N1P Ni1P 126.9(8) . . ?
C9P N2P C6P 103.5(10) . . ?
C9P N2P Ni1P 128.6(8) . . ?
C6P N2P Ni1P 127.9(8) . . ?
C11P N3P C14P 106.2(9) . . ?
C11P N3P Ni1P 126.6(8) . . ?
C14P N3P Ni1P 127.3(8) . . ?
C16P N4P C19P 105.4(10) . . ?
C16P N4P Ni1P 127.9(8) . . ?
C19P N4P Ni1P 126.6(8) . . ?
N1P C1P C20P 124.3(10) . . ?
N1P C1P C2P 111.5(10) . . ?
C20P C1P C2P 124.1(11) . . ?
C3P C2P C1P 105.8(10) . . ?
C3P C2P C21P 129.2(10) . . ?
C1P C2P C21P 124.8(11) . . ?
C2P C3P C4P 106.8(10) . . ?
C2P C3P C23P 128.0(11) . . ?
C4P C3P C23P 125.1(11) . . ?
C5P C4P N1P 126.1(10) . . ?
C5P C4P C3P 123.1(10) . . ?
N1P C4P C3P 110.8(10) . . ?
C4P C5P C6P 124.1(11) . . ?
C4P C5P H5P 118.0 . . ?
C6P C5P H5P 118.0 . . ?
N2P C6P C5P 124.8(11) . . ?
N2P C6P C7P 111.1(10) . . ?
C5P C6P C7P 124.2(10) . . ?
C8P C7P C6P 106.6(10) . . ?
C8P C7P C25P 129.1(11) . . ?
C6P C7P C25P 124.0(10) . . ?
C7P C8P C9P 106.9(11) . . ?
C7P C8P C27P 127.9(11) . . ?
C9P C8P C27P 125.2(10) . . ?
N2P C9P C10P 123.9(11) . . ?
N2P C9P C8P 112.0(10) . . ?
C10P C9P C8P 124.1(11) . . ?
C11P C10P C9P 124.0(11) . . ?
C11P C10P H10P 118.0 . . ?
C9P C10P H10P 118.0 . . ?
N3P C11P C10P 126.9(10) . . ?
N3P C11P C12P 110.7(10) . . ?
C10P C11P C12P 122.4(11) . . ?
C13P C12P C11P 105.6(10) . . ?
C13P C12P C29P 130.3(11) . . ?
C11P C12P C29P 124.1(11) . . ?
C12P C13P C14P 106.7(10) . . ?
C12P C13P C31P 128.2(11) . . ?
C14P C13P C31P 125.1(11) . . ?
C15P C14P N3P 125.2(10) . . ?
C15P C14P C13P 124.0(11) . . ?
N3P C14P C13P 110.8(11) . . ?
C14P C15P C16P 125.8(11) . . ?
C14P C15P H15P 117.1 . . ?
C16P C15P H15P 117.1 . . ?
N4P C16P C15P 124.0(11) . . ?
N4P C16P C17P 112.1(10) . . ?
C15P C16P C17P 123.8(11) . . ?
C18P C17P C16P 106.3(11) . . ?
C18P C17P C33P 130.3(12) . . ?
C16P C17P C33P 123.4(11) . . ?
C17P C18P C35P 129.9(12) . . ?
C17P C18P C19P 106.3(11) . . ?
C35P C18P C19P 123.6(10) . . ?
C20P C19P N4P 126.9(12) . . ?
C20P C19P C18P 123.3(11) . . ?
N4P C19P C18P 109.9(10) . . ?
C19P C20P C1P 124.1(11) . . ?
C19P C20P H20P 117.9 . . ?
C1P C20P H20P 117.9 . . ?
C2P C21P C22P 114.6(10) . . ?
C2P C21P H21A 108.6 . . ?
C22P C21P H21A 108.6 . . ?
C2P C21P H21B 108.6 . . ?
C22P C21P H21B 108.6 . . ?
H21A C21P H21B 107.6 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 112.7(10) . . ?
C3P C23P H23A 109.0 . . ?
C24P C23P H23A 109.0 . . ?
C3P C23P H23B 109.0 . . ?
C24P C23P H23B 109.0 . . ?
H23A C23P H23B 107.8 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 111.3(11) . . ?
C7P C25P H25A 109.4 . . ?
C26P C25P H25A 109.4 . . ?
C7P C25P H25B 109.4 . . ?
C26P C25P H25B 109.4 . . ?
H25A C25P H25B 108.0 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 109.6(10) . . ?
C8P C27P H27A 109.7 . . ?
C28P C27P H27A 109.7 . . ?
C8P C27P H27B 109.7 . . ?
C28P C27P H27B 109.7 . . ?
H27A C27P H27B 108.2 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C12P C29P C30P 113.5(11) . . ?
C12P C29P H29A 108.9 . . ?
C30P C29P H29A 108.9 . . ?
C12P C29P H29B 108.9 . . ?
C30P C29P H29B 108.9 . . ?
H29A C29P H29B 107.7 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 113.7(10) . . ?
C13P C31P H31A 108.8 . . ?
C32P C31P H31A 108.8 . . ?
C13P C31P H31B 108.8 . . ?
C32P C31P H31B 108.8 . . ?
H31A C31P H31B 107.7 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 113.8(10) . . ?
C17P C33P H33A 108.8 . . ?
C34P C33P H33A 108.8 . . ?
C17P C33P H33B 108.8 . . ?
C34P C33P H33B 108.8 . . ?
H33A C33P H33B 107.7 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 112.5(10) . . ?
C18P C35P H35A 109.1 . . ?
C36P C35P H35A 109.1 . . ?
C18P C35P H35B 109.1 . . ?
C36P C35P H35B 109.1 . . ?
H35A C35P H35B 107.8 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
C2A C1A C45A 124.3(19) . . ?
C2A C1A C5A 106.7(19) . . ?
C45A C1A C5A 121.9(18) . . ?
C42A C2A C1A 119(2) . . ?
C42A C2A C3A 123(2) . . ?
C1A C2A C3A 112(2) . . ?
C42A C2A Er2A 97.9(12) . . ?
C1A C2A Er2A 88.3(13) . . ?
C3A C2A Er2A 57.6(10) . . ?
C42A C2A Dy1B 87.5(12) . . ?
C1A C2A Dy1B 100.4(13) . . ?
C3A C2A Dy1B 57.6(10) . . ?
Er2A C2A Dy1B 13.14(14) . . ?
C69A C3A C2A 119(2) . . ?
C69A C3A C4A 128(2) . . ?
C2A C3A C4A 101.2(18) . . ?
C69A C3A Er2A 74.9(12) . . ?
C2A C3A Er2A 89.1(11) . . ?
C4A C3A Er2A 74.3(10) . . ?
C69A C3A Dy1B 60.1(11) . . ?
C2A C3A Dy1B 92.0(11) . . ?
C4A C3A Dy1B 89.0(11) . . ?
Er2A C3A Dy1B 15.84(18) . . ?
C5A C4A C9A 122(2) . . ?
C5A C4A C3A 109(2) . . ?
C9A C4A C3A 115.2(19) . . ?
C5A C4A Er2A 91.3(12) . . ?
C9A C4A Er2A 73.5(10) . . ?
C3A C4A Er2A 68.4(10) . . ?
C5A C4A Dy1B 99.2(12) . . ?
C9A C4A Dy1B 74.8(10) . . ?
C3A C4A Dy1B 59.8(10) . . ?
Er2A C4A Dy1B 10.19(15) . . ?
C4A C5A C6A 123(2) . . ?
C4A C5A C1A 111.1(19) . . ?
C6A C5A C1A 118(2) . . ?
C4A C5A Er2A 59.9(10) . . ?
C6A C5A Er2A 98.1(12) . . ?
C1A C5A Er2A 84.9(11) . . ?
C5A C6A C7A 125(2) . . ?
C5A C6A C67A 117.6(19) . . ?
C7A C6A C67A 111.8(17) . . ?
C66A C7A C6A 131(2) . . ?
C66A C7A C8A 106.1(18) . . ?
C6A C7A C8A 111.3(17) . . ?
C13A C8A C9A 125.9(19) . . ?
C13A C8A C7A 104.4(18) . . ?
C9A C8A C7A 123.5(19) . . ?
C13A C8A Er2A 98.4(12) . . ?
C9A C8A Er2A 56.0(8) . . ?
C7A C8A Er2A 96.6(10) . . ?
C4A C9A C10A 117.9(18) . . ?
C4A C9A C8A 114.4(17) . . ?
C10A C9A C8A 117.4(18) . . ?
C4A C9A Er2A 73.0(10) . . ?
C10A C9A Er2A 71.7(10) . . ?
C8A C9A Er2A 93.9(9) . . ?
C4A C9A Dy1B 77.5(10) . . ?
C10A C9A Dy1B 61.0(10) . . ?
C8A C9A Dy1B 101.4(9) . . ?
Er2A C9A Dy1B 11.13(13) . . ?
C68A C10A C9A 126(2) . . ?
C68A C10A C11A 104.7(19) . . ?
C9A C10A C11A 117.0(18) . . ?
C68A C10A Er2A 72.5(11) . . ?
C9A C10A Er2A 73.1(10) . . ?
C11A C10A Er2A 91.9(11) . . ?
C68A C10A Dy1B 59.0(10) . . ?
C9A C10A Dy1B 88.7(11) . . ?
C11A C10A Dy1B 87.6(11) . . ?
Er2A C10A Dy1B 15.99(18) . . ?
C74A C11A C12A 120.1(19) . . ?
C74A C11A C10A 109.0(19) . . ?
C12A C11A C10A 120.9(18) . . ?
C74A C11A Er2A 85.5(11) . . ?
C12A C11A Er2A 95.7(11) . . ?
C10A C11A Er2A 56.0(9) . . ?
C74A C11A Dy1B 72.0(11) . . ?
C12A C11A Dy1B 104.8(11) . . ?
C10A C11A Dy1B 60.4(10) . . ?
Er2A C11A Dy1B 13.81(13) . . ?
C17A C12A C11A 118.6(19) . . ?
C17A C12A C13A 115.4(19) . . ?
C11A C12A C13A 118.9(19) . . ?
C8A C13A C14A 113(2) . . ?
C8A C13A C12A 119.7(19) . . ?
C14A C13A C12A 118(2) . . ?
C15A C14A C66A 124.1(18) . . ?
C15A C14A C13A 122.0(19) . . ?
C66A C14A C13A 102.7(19) . . ?
C16A C15A C14A 121(2) . . ?
C16A C15A C59A 115(2) . . ?
C14A C15A C59A 117(2) . . ?
C15A C16A C20A 125(2) . . ?
C15A C16A C17A 117(2) . . ?
C20A C16A C17A 106.8(19) . . ?
C12A C17A C18A 120(2) . . ?
C12A C17A C16A 126(2) . . ?
C18A C17A C16A 106.0(19) . . ?
C19A C18A C75A 119(2) . . ?
C19A C18A C17A 110.2(18) . . ?
C75A C18A C17A 121(2) . . ?
C18A C19A C24A 126(2) . . ?
C18A C19A C20A 106.4(18) . . ?
C24A C19A C20A 120.4(19) . . ?
C18A C19A Er1A 97.0(12) . . ?
C24A C19A Er1A 56.7(10) . . ?
C20A C19A Er1A 93.8(11) . . ?
C21A C20A C16A 120.2(17) . . ?
C21A C20A C19A 119.2(19) . . ?
C16A C20A C19A 110.5(17) . . ?
C22A C21A C20A 119.6(19) . . ?
C22A C21A C58A 118(2) . . ?
C20A C21A C58A 115.1(18) . . ?
C23A C22A C21A 125(2) . . ?
C23A C22A C55A 109(2) . . ?
C21A C22A C55A 118.7(19) . . ?
C23A C22A Er1B 65.6(11) . . ?
C21A C22A Er1B 98.3(12) . . ?
C55A C22A Er1B 76.2(11) . . ?
C23A C22A Er1A 59.3(11) . . ?
C21A C22A Er1A 95.9(12) . . ?
C55A C22A Er1A 85.6(11) . . ?
Er1B C22A Er1A 9.70(15) . . ?
C22A C23A C24A 120(2) . . ?
C22A C23A C28A 110(2) . . ?
C24A C23A C28A 117(2) . . ?
C22A C23A Er1B 81.5(11) . . ?
C24A C23A Er1B 84.2(12) . . ?
C28A C23A Er1B 67.9(10) . . ?
C22A C23A Er1A 91.1(12) . . ?
C24A C23A Er1A 72.2(11) . . ?
C28A C23A Er1A 71.7(11) . . ?
Er1B C23A Er1A 12.67(16) . . ?
C19A C24A C25A 117(2) . . ?
C19A C24A C23A 116.2(18) . . ?
C25A C24A C23A 117(2) . . ?
C19A C24A Er1A 92.7(11) . . ?
C25A C24A Er1A 74.4(12) . . ?
C23A C24A Er1A 71.7(11) . . ?
C19A C24A Er1B 94.2(11) . . ?
C25A C24A Er1B 83.4(13) . . ?
C23A C24A Er1B 61.3(10) . . ?
Er1A C24A Er1B 10.99(14) . . ?
C26A C25A C76A 110(2) . . ?
C26A C25A C24A 122(2) . . ?
C76A C25A C24A 114(2) . . ?
C26A C25A Er1A 72.4(12) . . ?
C76A C25A Er1A 91.4(12) . . ?
C24A C25A Er1A 70.3(11) . . ?
C26A C25A Er1B 71.8(12) . . ?
C76A C25A Er1B 98.6(12) . . ?
C24A C25A Er1B 65.7(11) . . ?
Er1A C25A Er1B 7.48(15) . . ?
C25A C26A C78A 110(2) . . ?
C25A C26A C27A 125(2) . . ?
C78A C26A C27A 115.6(18) . . ?
C25A C26A Er1A 75.8(12) . . ?
C78A C26A Er1A 92.9(10) . . ?
C27A C26A Er1A 72.6(9) . . ?
C25A C26A Er1B 80.7(13) . . ?
C78A C26A Er1B 98.4(10) . . ?
C27A C26A Er1B 63.8(9) . . ?
Er1A C26A Er1B 9.08(14) . . ?
C28A C27A C32A 123(2) . . ?
C28A C27A C26A 112(2) . . ?
C32A C27A C26A 112.5(16) . . ?
C28A C27A Er1A 71.2(11) . . ?
C32A C27A Er1A 93.7(10) . . ?
C26A C27A Er1A 69.7(9) . . ?
C28A C27A Er1B 63.0(10) . . ?
C32A C27A Er1B 91.0(10) . . ?
C26A C27A Er1B 81.7(10) . . ?
Er1A C27A Er1B 12.19(13) . . ?
C27A C28A C29A 120(2) . . ?
C27A C28A C23A 126(2) . . ?
C29A C28A C23A 102(2) . . ?
C27A C28A Er1B 83.6(12) . . ?
C29A C28A Er1B 79.2(11) . . ?
C23A C28A Er1B 73.2(11) . . ?
C27A C28A Er1A 75.8(11) . . ?
C29A C28A Er1A 91.5(12) . . ?
C23A C28A Er1A 71.4(11) . . ?
Er1B C28A Er1A 12.39(17) . . ?
C28A C29A C55A 116(2) . . ?
C28A C29A C30A 120(2) . . ?
C55A C29A C30A 114.0(19) . . ?
C28A C29A Er1B 66.0(11) . . ?
C55A C29A Er1B 81.5(11) . . ?
C30A C29A Er1B 91.9(10) . . ?
C28A C29A Er1A 58.7(10) . . ?
C55A C29A Er1A 86.6(11) . . ?
C30A C29A Er1A 94.8(10) . . ?
Er1B C29A Er1A 7.42(17) . . ?
C31A C30A C29A 121.8(19) . . ?
C31A C30A C54A 113.2(19) . . ?
C29A C30A C54A 117.7(18) . . ?
C31A C30A Er1B 86.6(11) . . ?
C29A C30A Er1B 57.1(9) . . ?
C54A C30A Er1B 102.2(10) . . ?
C35A C31A C30A 129(2) . . ?
C35A C31A C32A 106.6(18) . . ?
C30A C31A C32A 117(2) . . ?
C27A C32A C33A 127(2) . . ?
C27A C32A C31A 117.4(18) . . ?
C33A C32A C31A 107.0(18) . . ?
C27A C32A Er1B 59.5(9) . . ?
C33A C32A Er1B 102.1(11) . . ?
C31A C32A Er1B 82.4(10) . . ?
C27A C32A Er1A 57.2(9) . . ?
C33A C32A Er1A 95.6(11) . . ?
C31A C32A Er1A 92.0(11) . . ?
Er1B C32A Er1A 10.38(11) . . ?
C79A C33A C34A 124(2) . . ?
C79A C33A C32A 122(2) . . ?
C34A C33A C32A 107.6(19) . . ?
C39A C34A C33A 121.9(18) . . ?
C39A C34A C35A 118.0(16) . . ?
C33A C34A C35A 109(2) . . ?
C36A C35A C31A 116(2) . . ?
C36A C35A C34A 125(2) . . ?
C31A C35A C34A 109.5(18) . . ?
C35A C36A C50A 125(2) . . ?
C35A C36A C37A 116.0(19) . . ?
C50A C36A C37A 111.2(17) . . ?
C49A C37A C36A 124(2) . . ?
C49A C37A C38A 108.7(17) . . ?
C36A C37A C38A 118.2(18) . . ?
C39A C38A C43A 123.6(19) . . ?
C39A C38A C37A 120(2) . . ?
C43A C38A C37A 104.9(17) . . ?
C38A C39A C34A 122(2) . . ?
C38A C39A C40A 113.9(19) . . ?
C34A C39A C40A 118(2) . . ?
C80A C40A C41A 110.8(19) . . ?
C80A C40A C39A 117(2) . . ?
C41A C40A C39A 122.7(19) . . ?
C40A C41A C70A 109.0(19) . . ?
C40A C41A C42A 123.1(18) . . ?
C70A C41A C42A 118(2) . . ?
C40A C41A Dy1B 98.0(13) . . ?
C70A C41A Dy1B 52.4(9) . . ?
C42A C41A Dy1B 87.8(11) . . ?
C2A C42A C43A 123.3(18) . . ?
C2A C42A C41A 117.1(19) . . ?
C43A C42A C41A 110.7(16) . . ?
C42A C43A C44A 118.0(17) . . ?
C42A C43A C38A 125.3(16) . . ?
C44A C43A C38A 107.3(16) . . ?
C45A C44A C43A 120.4(16) . . ?
C45A C44A C49A 119.8(17) . . ?
C43A C44A C49A 108.7(16) . . ?
C46A C45A C44A 117.1(18) . . ?
C46A C45A C1A 121(2) . . ?
C44A C45A C1A 115.1(16) . . ?
C46A C45A Dy1D 55.9(10) . . ?
C44A C45A Dy1D 91.4(10) . . ?
C1A C45A Dy1D 98.2(11) . . ?
C47A C46A C67A 111(2) . . ?
C47A C46A C45A 126(2) . . ?
C67A C46A C45A 117(2) . . ?
C47A C46A Dy1D 73.4(11) . . ?
C67A C46A Dy1D 75.1(11) . . ?
C45A C46A Dy1D 94.7(11) . . ?
C47A C46A Dy1A 62.6(10) . . ?
C67A C46A Dy1A 85.9(11) . . ?
C45A C46A Dy1A 95.9(11) . . ?
Dy1D C46A Dy1A 12.65(17) . . ?
C46A C47A C63A 107.2(18) . . ?
C46A C47A C48A 121.9(18) . . ?
C63A C47A C48A 114.6(18) . . ?
C46A C47A Dy1A 86.7(11) . . ?
C63A C47A Dy1A 70.7(10) . . ?
C48A C47A Dy1A 71.9(10) . . ?
C46A C47A Dy1D 73.4(11) . . ?
C63A C47A Dy1D 69.4(10) . . ?
C48A C47A Dy1D 85.3(10) . . ?
Dy1A C47A Dy1D 14.98(15) . . ?
C51A C48A C47A 122(2) . . ?
C51A C48A C49A 116(2) . . ?
C47A C48A C49A 111.8(17) . . ?
C51A C48A Dy1A 77.6(13) . . ?
C47A C48A Dy1A 71.6(11) . . ?
C49A C48A Dy1A 90.5(11) . . ?
C51A C48A Dy1D 88.9(13) . . ?
C47A C48A Dy1D 61.6(10) . . ?
C49A C48A Dy1D 88.8(10) . . ?
Dy1A C48A Dy1D 11.84(14) . . ?
C37A C49A C44A 110.4(17) . . ?
C37A C49A C48A 122(2) . . ?
C44A C49A C48A 122.5(18) . . ?
C37A C49A Dy1A 100.4(13) . . ?
C44A C49A Dy1A 93.6(11) . . ?
C48A C49A Dy1A 56.9(10) . . ?
C36A C50A C54A 117.1(19) . . ?
C36A C50A C51A 126.4(19) . . ?
C54A C50A C51A 107.8(18) . . ?
C36A C50A Dy1A 97.4(10) . . ?
C54A C50A Dy1A 88.3(10) . . ?
C51A C50A Dy1A 55.1(9) . . ?
C48A C51A C50A 120(2) . . ?
C48A C51A C52A 123.4(19) . . ?
C50A C51A C52A 104.4(17) . . ?
C48A C51A Dy1A 70.5(11) . . ?
C50A C51A Dy1A 95.3(11) . . ?
C52A C51A Dy1A 72.2(10) . . ?
C48A C51A Dy1D 64.8(11) . . ?
C50A C51A Dy1D 101.1(11) . . ?
C52A C51A Dy1D 74.2(10) . . ?
Dy1A C51A Dy1D 6.70(13) . . ?
C62A C52A C53A 130(2) . . ?
C62A C52A C51A 113.8(18) . . ?
C53A C52A C51A 106.0(17) . . ?
C62A C52A Dy1A 69.8(10) . . ?
C53A C52A Dy1A 97.4(11) . . ?
C51A C52A Dy1A 71.8(10) . . ?
C62A C52A Dy1D 62.0(10) . . ?
C53A C52A Dy1D 102.6(11) . . ?
C51A C52A Dy1D 76.2(10) . . ?
Dy1A C52A Dy1D 7.78(12) . . ?
C54A C53A C52A 113(2) . . ?
C54A C53A C56A 122.4(19) . . ?
C52A C53A C56A 116.8(18) . . ?
C54A C53A Dy1A 89.6(11) . . ?
C52A C53A Dy1A 54.8(9) . . ?
C56A C53A Dy1A 95.6(10) . . ?
C53A C54A C50A 109.1(19) . . ?
C53A C54A C30A 123(2) . . ?
C50A C54A C30A 120.1(18) . . ?
C56A C55A C29A 130(2) . . ?
C56A C55A C22A 121(2) . . ?
C29A C55A C22A 102.6(19) . . ?
C56A C55A Er1B 105.6(11) . . ?
C29A C55A Er1B 65.8(10) . . ?
C22A C55A Er1B 69.2(10) . . ?
C57A C56A C55A 121(2) . . ?
C57A C56A C53A 118(2) . . ?
C55A C56A C53A 113(2) . . ?
C56A C57A C61A 125(2) . . ?
C56A C57A C58A 120(2) . . ?
C61A C57A C58A 105.4(18) . . ?
C59A C58A C21A 122.4(19) . . ?
C59A C58A C57A 107(2) . . ?
C21A C58A C57A 121(2) . . ?
C58A C59A C60A 113(2) . . ?
C58A C59A C15A 122(2) . . ?
C60A C59A C15A 117(2) . . ?
C59A C60A C61A 109.0(18) . . ?
C59A C60A C65A 126.7(19) . . ?
C61A C60A C65A 116(2) . . ?
C60A C61A C57A 105.8(17) . . ?
C60A C61A C62A 127.3(17) . . ?
C57A C61A C62A 117.1(17) . . ?
C60A C61A Dy1A 93.8(10) . . ?
C57A C61A Dy1A 95.7(10) . . ?
C62A C61A Dy1A 54.6(8) . . ?
C60A C61A Dy1D 82.5(10) . . ?
C57A C61A Dy1D 102.3(10) . . ?
C62A C61A Dy1D 60.4(9) . . ?
Dy1A C61A Dy1D 11.87(11) . . ?
C52A C62A C63A 125(2) . . ?
C52A C62A C61A 111.8(18) . . ?
C63A C62A C61A 114.0(18) . . ?
C52A C62A Dy1A 77.5(11) . . ?
C63A C62A Dy1A 71.0(11) . . ?
C61A C62A Dy1A 93.7(10) . . ?
C52A C62A Dy1D 90.6(12) . . ?
C63A C62A Dy1D 62.0(10) . . ?
C61A C62A Dy1D 89.1(10) . . ?
Dy1A C62A Dy1D 13.10(14) . . ?
C62A C63A C47A 120.6(19) . . ?
C62A C63A C64A 118(2) . . ?
C47A C63A C64A 108.8(17) . . ?
C62A C63A Dy1D 85.0(11) . . ?
C47A C63A Dy1D 74.5(10) . . ?
C64A C63A Dy1D 74.0(10) . . ?
C62A C63A Dy1A 73.5(10) . . ?
C47A C63A Dy1A 73.1(10) . . ?
C64A C63A Dy1A 88.6(10) . . ?
Dy1D C63A Dy1A 15.31(16) . . ?
C65A C64A C67A 119.7(16) . . ?
C65A C64A C63A 127.5(17) . . ?
C67A C64A C63A 103.7(17) . . ?
C65A C64A Dy1D 93.7(10) . . ?
C67A C64A Dy1D 74.6(8) . . ?
C63A C64A Dy1D 69.6(9) . . ?
C65A C64A Dy1A 97.2(10) . . ?
C67A C64A Dy1A 82.4(9) . . ?
C63A C64A Dy1A 58.8(9) . . ?
Dy1D C64A Dy1A 11.56(15) . . ?
C64A C65A C66A 120.1(19) . . ?
C64A C65A C60A 117.1(18) . . ?
C66A C65A C60A 115.1(19) . . ?
C64A C65A Dy1D 56.6(8) . . ?
C66A C65A Dy1D 99.2(11) . . ?
C60A C65A Dy1D 87.9(10) . . ?
C7A C66A C65A 118(2) . . ?
C7A C66A C14A 114(2) . . ?
C65A C66A C14A 119.2(19) . . ?
C46A C67A C64A 109.1(18) . . ?
C46A C67A C6A 124.1(18) . . ?
C64A C67A C6A 118.1(18) . . ?
C46A C67A Dy1D 71.0(10) . . ?
C64A C67A Dy1D 70.1(8) . . ?
C6A C67A Dy1D 97.9(10) . . ?
C46A C67A Dy1A 65.4(10) . . ?
C64A C67A Dy1A 67.8(8) . . ?
C6A C67A Dy1A 106.2(9) . . ?
Dy1D C67A Dy1A 8.41(16) . . ?
C10A C68A C73A 115(2) . . ?
C10A C68A C69A 118.6(19) . . ?
C73A C68A C69A 115.0(17) . . ?
C10A C68A Dy1B 88.9(12) . . ?
C73A C68A Dy1B 77.1(10) . . ?
C69A C68A Dy1B 70.2(9) . . ?
C10A C68A Er2A 74.7(11) . . ?
C73A C68A Er2A 91.6(10) . . ?
C69A C68A Er2A 70.6(9) . . ?
Dy1B C68A Er2A 16.89(19) . . ?
C3A C69A C70A 121(2) . . ?
C3A C69A C68A 113.8(19) . . ?
C70A C69A C68A 113.2(18) . . ?
C3A C69A Dy1B 88.3(12) . . ?
C70A C69A Dy1B 78.0(11) . . ?
C68A C69A Dy1B 68.5(9) . . ?
C3A C69A Er2A 72.2(11) . . ?
C70A C69A Er2A 91.6(11) . . ?
C68A C69A Er2A 71.4(9) . . ?
Dy1B C69A Er2A 17.1(2) . . ?
C69A C70A C41A 122(2) . . ?
C69A C70A C71A 128(2) . . ?
C41A C70A C71A 103.4(17) . . ?
C69A C70A Dy1B 66.5(10) . . ?
C41A C70A Dy1B 98.6(11) . . ?
C71A C70A Dy1B 82.9(10) . . ?
C69A C70A Er2A 58.3(9) . . ?
C41A C70A Er2A 95.2(11) . . ?
C71A C70A Er2A 95.2(10) . . ?
Dy1B C70A Er2A 12.27(18) . . ?
C80A C71A C72A 128.4(17) . . ?
C80A C71A C70A 106.5(16) . . ?
C72A C71A C70A 114.5(16) . . ?
C80A C71A Dy1B 105.0(10) . . ?
C72A C71A Dy1B 70.9(9) . . ?
C70A C71A Dy1B 61.8(8) . . ?
C73A C72A C77A 125(2) . . ?
C73A C72A C71A 117(2) . . ?
C77A C72A C71A 112.6(19) . . ?
C73A C72A Dy1B 64.3(10) . . ?
C77A C72A Dy1B 107.8(12) . . ?
C71A C72A Dy1B 76.6(10) . . ?
C72A C73A C68A 133(2) . . ?
C72A C73A C74A 114(2) . . ?
C68A C73A C74A 103.9(17) . . ?
C72A C73A Dy1B 85.0(12) . . ?
C68A C73A Dy1B 66.0(9) . . ?
C74A C73A Dy1B 91.5(11) . . ?
C72A C73A Er2A 96.2(12) . . ?
C68A C73A Er2A 57.8(9) . . ?
C74A C73A Er2A 86.4(10) . . ?
Dy1B C73A Er2A 11.20(18) . . ?
C75A C74A C11A 124(2) . . ?
C75A C74A C73A 122(2) . . ?
C11A C74A C73A 107.4(19) . . ?
C75A C74A Dy1B 106.6(12) . . ?
C11A C74A Dy1B 80.0(11) . . ?
C73A C74A Dy1B 55.5(9) . . ?
C74A C75A C76A 124(2) . . ?
C74A C75A C18A 116(2) . . ?
C76A C75A C18A 113(2) . . ?
C75A C76A C25A 132(2) . . ?
C75A C76A C77A 113(2) . . ?
C25A C76A C77A 107(2) . . ?
C75A C76A Er1A 97.1(11) . . ?
C25A C76A Er1A 58.5(10) . . ?
C77A C76A Er1A 87.0(11) . . ?
C72A C77A C78A 123(2) . . ?
C72A C77A C76A 122(2) . . ?
C78A C77A C76A 107(2) . . ?
C79A C78A C77A 123.8(19) . . ?
C79A C78A C26A 123.1(18) . . ?
C77A C78A C26A 105(2) . . ?
C79A C78A Er1A 97.2(11) . . ?
C77A C78A Er1A 86.8(11) . . ?
C26A C78A Er1A 55.7(9) . . ?
C33A C79A C78A 120(2) . . ?
C33A C79A C80A 115(2) . . ?
C78A C79A C80A 116.4(19) . . ?
C40A C80A C71A 110.3(17) . . ?
C40A C80A C79A 124.4(18) . . ?
C71A C80A C79A 115.1(19) . . ?
C2S C1S C6S 119.5(15) . . ?
C2S C1S H1S 120.3 . . ?
C6S C1S H1S 120.3 . . ?
C1S C2S C3S 121.1(18) . . ?
C1S C2S H2S 119.5 . . ?
C3S C2S H2S 119.5 . . ?
C4S C3S C2S 118.4(16) . . ?
C4S C3S H3S 120.8 . . ?
C2S C3S H3S 120.8 . . ?
C3S C4S C5S 122.1(14) . . ?
C3S C4S H4S 119.0 . . ?
C5S C4S H4S 119.0 . . ?
C6S C5S C4S 118.7(15) . . ?
C6S C5S H5S 120.7 . . ?
C4S C5S H5S 120.7 . . ?
C5S C6S C1S 120.3(16) . . ?
C5S C6S H6S 119.8 . . ?
C1S C6S H6S 119.8 . . ?
C9S C7S C8S 126(3) 2_655 . ?
C9S C7S H7S 117.0 2_655 . ?
C8S C7S H7S 117.0 . . ?
C9S C8S C7S 116(3) . . ?
C9S C8S H8S 121.8 . . ?
C7S C8S H8S 121.8 . . ?
C7S C9S C8S 117(3) 2_655 . ?
C7S C9S H9S 121.5 2_655 . ?
C8S C9S H9S 121.5 . . ?
C12S C10S C11S 126(3) 2_655 . ?
C12S C10S H10S 117.1 2_655 . ?
C11S C10S H10S 117.1 . . ?
C12S C11S C10S 118(3) . . ?
C12S C11S H11S 121.2 . . ?
C10S C11S H11S 121.2 . . ?
C10S C12S C11S 117(3) 2_655 . ?
C10S C12S H12S 121.7 2_655 . ?
C11S C12S H12S 121.7 . . ?

_refine_diff_density_max         2.547
_refine_diff_density_min         -3.956
_refine_diff_density_rms         0.285

####################################################################### 
# 
# 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_dygd2n@c80
_database_code_depnum_ccdc_archive 'CCDC 1874409'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2018-10-21 deposited with the CCDC.	2019-06-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_dygd2n@c80          
;
PROBLEM: Single Bonded Metal Atom 
RESPONSE: This is disordered endohedral metal atom
;
_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ;DyGd2N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;DyGd2N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 Dy Gd2 N5 Ni'
_chemical_formula_weight         2199.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0060 0.0030 '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 0.0110 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.2530 1.6900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.0170 6.3130 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.3790 6.5120 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   25.230(5)
_cell_length_b                   15.050(3)
_cell_length_c                   39.410(8)
_cell_angle_alpha                90
_cell_angle_beta                 95.27(3)
_cell_angle_gamma                90
_cell_volume                     14901(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    113349
_cell_measurement_theta_min      1.058
_cell_measurement_theta_max      28.575

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.961
_exptl_crystal_F_000             8648
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    5.462
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.89429
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.3'
_diffrn_measurement_device_type  MAR225CCD
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            113349
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_theta_min         2.040
_diffrn_reflns_theta_max         36.060
_diffrn_reflns_theta_full        32.451
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             16935
_reflns_number_gt                10331
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1117P)²+75.9541P] 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         16935
_refine_ls_number_parameters     1253
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1198
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_ref         0.2057
_refine_ls_wR_factor_gt          0.1725
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.76932(2) 0.50434(3) 0.32011(2) 0.05704(17) Uani 1 1 d . . . . .
Gd1 Gd 0.67643(5) 0.37346(5) 0.35851(2) 0.0415(2) Uani 0.860(3) 1 d . . P A 1
Gd2 Gd 0.65831(5) 0.60059(5) 0.35504(2) 0.0406(2) Uani 0.860(3) 1 d . . P A 1
N1A N 0.7133(5) 0.4964(6) 0.3539(3) 0.031(2) Uani 0.578(13) 1 d . U P A 1
N1B N 0.6929(6) 0.4929(9) 0.3337(5) 0.031(2) Uani 0.422(13) 1 d . U P A 2
Gd4 Gd 0.6810(2) 0.6210(3) 0.35838(8) 0.0337(10) Uiso 0.140(3) 1 d . . P A 2
Gd3 Gd 0.6555(2) 0.3955(3) 0.35484(9) 0.0309(10) Uiso 0.140(3) 1 d . . P A 2
C1A C 0.5940(4) 0.5284(7) 0.4109(2) 0.056(3) Uani 1 1 d . . . A 1
C2A C 0.6253(4) 0.5990(7) 0.4212(2) 0.058(3) Uani 1 1 d . . . A 1
C3A C 0.6126(4) 0.6771(7) 0.3974(3) 0.062(3) Uani 1 1 d . . . A 1
C4A C 0.5701(4) 0.6385(7) 0.3716(3) 0.065(3) Uani 1 1 d . . . A 1
C5A C 0.5608(4) 0.5499(8) 0.3803(3) 0.063(3) Uani 1 1 d . . . A 1
C6A C 0.5456(3) 0.4869(6) 0.3565(3) 0.050(2) Uani 1 1 d . . . A 1
C7A C 0.5418(3) 0.5070(6) 0.3214(2) 0.049(2) Uani 1 1 d . . . A 1
C8A C 0.5568(4) 0.5999(8) 0.3119(3) 0.064(3) Uani 1 1 d . . . A 1
C9A C 0.5713(3) 0.6669(6) 0.3373(2) 0.045(2) Uani 1 1 d . . . A 1
C10A C 0.6116(5) 0.7289(7) 0.3295(3) 0.074(3) Uani 1 1 d . . . A 1
C11A C 0.6384(4) 0.7168(6) 0.2971(2) 0.054(2) Uani 1 1 d . . . A 1
C12A C 0.6215(4) 0.6468(7) 0.2730(3) 0.065(3) Uani 1 1 d . . . A 1
C13A C 0.5791(5) 0.5885(8) 0.2812(3) 0.073(3) Uani 1 1 d . . . A 1
C14A C 0.5783(4) 0.4985(6) 0.2703(2) 0.050(2) Uani 1 1 d . . . A 1
C15A C 0.6187(4) 0.4657(8) 0.2528(2) 0.064(3) Uani 1 1 d . . . A 1
C16A C 0.6586(5) 0.5162(7) 0.2431(2) 0.065(3) Uani 1 1 d . . . A 1
C17A C 0.6599(5) 0.6127(7) 0.2531(2) 0.063(3) Uani 1 1 d . . . A 1
C18A C 0.7133(5) 0.6382(7) 0.2579(2) 0.064(3) Uani 1 1 d . . . A 1
C19A C 0.7476(5) 0.5666(6) 0.2509(2) 0.058(3) Uani 1 1 d . . . A 1
C20A C 0.7136(5) 0.4911(6) 0.2414(2) 0.052(2) Uani 1 1 d . . . A 1
C21A C 0.7303(5) 0.4040(7) 0.2500(2) 0.061(3) Uani 1 1 d . . . A 1
C22A C 0.7811(5) 0.3928(8) 0.2659(3) 0.069(3) Uani 1 1 d . . . A 1
C23A C 0.8183(4) 0.4617(8) 0.2731(3) 0.065(3) Uani 1 1 d . . . A 1
C24A C 0.8021(5) 0.5516(8) 0.2663(3) 0.073(3) Uani 1 1 d . . . A 1
C25A C 0.8210(5) 0.6195(8) 0.2913(3) 0.075(3) Uani 1 1 d . . . A 1
C26A C 0.8509(4) 0.5964(8) 0.3218(3) 0.068(3) Uani 1 1 d . . . A 1
C27A C 0.8662(4) 0.5019(7) 0.3311(3) 0.058(3) Uani 1 1 d . . . A 1
C28A C 0.8508(4) 0.4365(8) 0.3059(3) 0.071(3) Uani 1 1 d . . . A 1
C29A C 0.8317(4) 0.3556(8) 0.3160(3) 0.070(3) Uani 1 1 d . . . A 1
C30A C 0.8303(3) 0.3301(6) 0.3516(3) 0.053(2) Uani 1 1 d . . . A 1
C31A C 0.8477(4) 0.3904(8) 0.3773(3) 0.066(3) Uani 1 1 d . . . A 1
C32A C 0.8649(3) 0.4821(7) 0.3665(3) 0.055(2) Uani 1 1 d . . . A 1
C33A C 0.8508(4) 0.5382(8) 0.3919(3) 0.069(3) Uani 1 1 d . . . A 1
C34A C 0.8268(4) 0.4908(6) 0.4180(2) 0.050(2) Uani 1 1 d . . . A 1
C35A C 0.8261(4) 0.3976(8) 0.4078(3) 0.071(3) Uani 1 1 d . . . A 1
C36A C 0.7840(4) 0.3397(6) 0.4153(3) 0.058(3) Uani 1 1 d . . . A 1
C37A C 0.7457(5) 0.3734(6) 0.4355(2) 0.058(3) Uani 1 1 d . . . A 1
C38A C 0.7460(4) 0.4699(8) 0.4461(2) 0.059(3) Uani 1 1 d . . . A 1
C39A C 0.7856(4) 0.5224(8) 0.4365(2) 0.064(3) Uani 1 1 d . . . A 1
C40A C 0.7702(4) 0.6170(6) 0.4299(3) 0.060(3) Uani 1 1 d . . . A 1
C41A C 0.7164(5) 0.6452(6) 0.4305(2) 0.057(3) Uani 1 1 d . . . A 1
C42A C 0.6754(4) 0.5847(6) 0.43796(19) 0.051(2) Uani 1 1 d . . . A 1
C43A C 0.6923(4) 0.4972(5) 0.44650(19) 0.043(2) Uani 1 1 d . . . A 1
C44A C 0.6599(4) 0.4223(6) 0.4372(2) 0.050(2) Uani 1 1 d . . . A 1
C45A C 0.6087(4) 0.4358(7) 0.4178(2) 0.060(3) Uani 1 1 d . . . A 1
C46A C 0.5905(4) 0.3649(7) 0.3952(2) 0.059(3) Uani 1 1 d . . . A 1
C47A C 0.6193(4) 0.2878(6) 0.3908(2) 0.053(2) Uani 1 1 d . . . A 1
C48A C 0.6732(5) 0.2771(6) 0.4074(2) 0.060(3) Uani 1 1 d . . . A 1
C49A C 0.6920(5) 0.3454(6) 0.4308(2) 0.057(3) Uani 1 1 d . . . A 1
C50A C 0.7648(4) 0.2722(5) 0.3921(2) 0.046(2) Uani 1 1 d . . . A 1
C51A C 0.7127(4) 0.2388(6) 0.3887(3) 0.060(3) Uani 1 1 d . . . A 1
C52A C 0.7019(4) 0.2141(6) 0.3510(3) 0.056(2) Uani 1 1 d . . . A 1
C53A C 0.7491(4) 0.2357(6) 0.3364(3) 0.057(2) Uani 1 1 d . . . A 1
C54A C 0.7872(4) 0.2676(6) 0.3596(3) 0.066(3) Uani 1 1 d . . . A 1
C55A C 0.7887(4) 0.3213(6) 0.2931(3) 0.058(3) Uani 1 1 d . . . A 1
C56A C 0.7473(5) 0.2651(6) 0.3011(3) 0.065(3) Uani 1 1 d . . . A 1
C57A C 0.6986(5) 0.2743(6) 0.2837(3) 0.060(3) Uani 1 1 d . . . A 1
C58A C 0.6885(5) 0.3440(6) 0.2583(2) 0.058(3) Uani 1 1 d . . . A 1
C59A C 0.6349(4) 0.3724(6) 0.2588(2) 0.057(3) Uani 1 1 d . . . A 1
C60A C 0.6112(4) 0.3230(7) 0.2841(3) 0.059(3) Uani 1 1 d . . . A 1
C61A C 0.6475(4) 0.2609(5) 0.2997(2) 0.053(2) Uani 1 1 d . . . A 1
C62A C 0.6487(4) 0.2283(6) 0.3352(3) 0.062(3) Uani 1 1 d . . . A 1
C63A C 0.6071(4) 0.2611(6) 0.3534(3) 0.054(2) Uani 1 1 d . . . A 1
C64A C 0.5711(3) 0.3304(5) 0.3389(2) 0.0414(18) Uani 1 1 d . . . A 1
C65A C 0.5701(4) 0.3608(7) 0.3045(3) 0.062(3) Uani 1 1 d . . . A 1
C66A C 0.5549(4) 0.4477(8) 0.2959(3) 0.065(3) Uani 1 1 d . . . A 1
C67A C 0.5608(3) 0.3901(7) 0.3651(2) 0.054(2) Uani 1 1 d . . . A 1
C68A C 0.6551(5) 0.7316(6) 0.3893(3) 0.063(3) Uani 1 1 d . . . A 1
C69A C 0.6527(4) 0.7621(6) 0.3534(3) 0.062(3) Uani 1 1 d . . . A 1
C70A C 0.7026(4) 0.7670(6) 0.3388(3) 0.056(2) Uani 1 1 d . . . A 1
C71A C 0.7534(4) 0.7478(6) 0.3532(3) 0.064(3) Uani 1 1 d . . . A 1
C72A C 0.7570(4) 0.7245(6) 0.3892(2) 0.051(2) Uani 1 1 d . . . A 1
C73A C 0.7056(4) 0.7155(6) 0.4054(2) 0.058(2) Uani 1 1 d . . . A 1
C74A C 0.7943(4) 0.6641(7) 0.4051(3) 0.057(2) Uani 1 1 d . . . A 1
C75A C 0.8345(4) 0.6246(7) 0.3842(3) 0.063(3) Uani 1 1 d . . . A 1
C76A C 0.8343(3) 0.6536(6) 0.3499(3) 0.052(2) Uani 1 1 d . . . A 1
C77A C 0.7932(5) 0.7122(7) 0.3353(3) 0.072(3) Uani 1 1 d . . . A 1
C78A C 0.7848(4) 0.6885(7) 0.2992(2) 0.060(3) Uani 1 1 d . . . A 1
C79A C 0.7309(5) 0.7009(6) 0.2835(2) 0.061(3) Uani 1 1 d . . . A 1
C80A C 0.6915(5) 0.7376(6) 0.3019(3) 0.060(3) Uani 1 1 d . . . A 1
Ni1P Ni 0.51825(3) 0.49808(5) 0.45900(2) 0.02356(19) Uani 1 1 d . . . B 1
N1P N 0.5199(2) 0.3664(4) 0.45927(14) 0.0260(11) Uani 1 1 d . . . B 1
N2P N 0.5768(2) 0.4997(3) 0.49534(14) 0.0245(11) Uani 1 1 d . . . B 1
N3P N 0.5191(2) 0.6295(4) 0.45732(13) 0.0246(11) Uani 1 1 d . . . B 1
N4P N 0.4626(2) 0.4957(3) 0.42060(14) 0.0254(12) Uani 1 1 d . . . B 1
C1P C 0.4886(3) 0.3100(4) 0.43892(17) 0.0251(13) Uani 1 1 d . . . B 1
C2P C 0.5025(3) 0.2182(5) 0.44580(18) 0.0311(15) Uani 1 1 d . . . B 1
C3P C 0.5425(3) 0.2195(4) 0.47185(17) 0.0270(14) Uani 1 1 d . . . B 1
C4P C 0.5523(3) 0.3127(4) 0.47960(17) 0.0265(14) Uani 1 1 d . . . B 1
C5P C 0.5906(3) 0.3410(4) 0.50400(17) 0.0279(14) Uani 1 1 d . . . B 1
H5P H 0.610079 0.297029 0.517163 0.033 Uiso 1 1 calc R U . B 1
C6P C 0.6031(3) 0.4289(4) 0.51092(16) 0.0246(13) Uani 1 1 d . . . B 1
C7P C 0.6461(3) 0.4569(5) 0.53512(16) 0.0266(14) Uani 1 1 d . . . B 1
C8P C 0.6457(3) 0.5476(4) 0.53482(16) 0.0267(14) Uani 1 1 d . . . B 1
C9P C 0.6024(3) 0.5738(4) 0.51002(16) 0.0256(14) Uani 1 1 d . . . B 1
C10P C 0.5901(3) 0.6599(4) 0.50215(17) 0.0261(14) Uani 1 1 d . . . B 1
H10P H 0.609306 0.705344 0.514680 0.031 Uiso 1 1 calc R U . B 1
C11P C 0.5514(3) 0.6849(4) 0.47707(16) 0.0238(13) Uani 1 1 d . . . B 1
C12P C 0.5416(3) 0.7781(4) 0.46746(17) 0.0278(14) Uani 1 1 d . . . B 1
C13P C 0.5024(3) 0.7763(4) 0.44131(18) 0.0283(14) Uani 1 1 d . . . B 1
C14P C 0.4885(3) 0.6848(4) 0.43577(16) 0.0253(13) Uani 1 1 d . . . B 1
C15P C 0.4507(3) 0.6546(4) 0.41055(17) 0.0288(14) Uani 1 1 d . . . B 1
H15P H 0.430903 0.698186 0.397340 0.035 Uiso 1 1 calc R U . B 1
C16P C 0.4396(3) 0.5674(5) 0.40313(17) 0.0280(14) Uani 1 1 d . . . B 1
C17P C 0.4036(3) 0.5385(5) 0.37507(17) 0.0296(14) Uani 1 1 d . . . B 1
C18P C 0.4039(3) 0.4484(5) 0.37533(17) 0.0301(15) Uani 1 1 d . . . B 1
C19P C 0.4400(3) 0.4232(4) 0.40421(16) 0.0258(14) Uani 1 1 d . . . B 1
C20P C 0.4511(3) 0.3361(4) 0.41327(17) 0.0279(14) Uani 1 1 d . . . B 1
H20P H 0.431326 0.290853 0.400934 0.033 Uiso 1 1 calc R U . B 1
C21P C 0.4775(3) 0.1402(5) 0.4266(2) 0.0379(17) Uani 1 1 d . . . B 1
H21A H 0.438533 0.149217 0.423390 0.046 Uiso 1 1 calc R U . B 1
H21B H 0.484326 0.085898 0.440547 0.046 Uiso 1 1 calc R U . B 1
C22P C 0.4981(3) 0.1260(5) 0.3923(2) 0.0439(19) Uani 1 1 d . . . B 1
H22A H 0.480371 0.074377 0.381142 0.066 Uiso 1 1 calc R U . B 1
H22B H 0.490774 0.178850 0.378114 0.066 Uiso 1 1 calc R U . B 1
H22C H 0.536607 0.115476 0.395285 0.066 Uiso 1 1 calc R U . B 1
C23P C 0.5720(3) 0.1437(5) 0.48886(19) 0.0335(16) Uani 1 1 d . . . B 1
H23A H 0.550582 0.088996 0.484735 0.040 Uiso 1 1 calc R U . B 1
H23B H 0.575936 0.154506 0.513743 0.040 Uiso 1 1 calc R U . B 1
C24P C 0.6274(3) 0.1281(5) 0.4768(2) 0.0437(19) Uani 1 1 d . . . B 1
H24A H 0.644314 0.077412 0.489049 0.066 Uiso 1 1 calc R U . B 1
H24B H 0.623937 0.115707 0.452265 0.066 Uiso 1 1 calc R U . B 1
H24C H 0.649327 0.181310 0.481314 0.066 Uiso 1 1 calc R U . B 1
C25P C 0.6849(3) 0.3955(5) 0.55418(18) 0.0304(15) Uani 1 1 d . . . B 1
H25A H 0.665773 0.342657 0.561767 0.036 Uiso 1 1 calc R U . B 1
H25B H 0.701598 0.426046 0.574687 0.036 Uiso 1 1 calc R U . B 1
C26P C 0.7284(3) 0.3656(5) 0.53171(19) 0.0366(17) Uani 1 1 d . . . B 1
H26A H 0.753256 0.325588 0.544740 0.055 Uiso 1 1 calc R U . B 1
H26B H 0.711957 0.334483 0.511583 0.055 Uiso 1 1 calc R U . B 1
H26C H 0.747742 0.417781 0.524489 0.055 Uiso 1 1 calc R U . B 1
C27P C 0.6835(3) 0.6107(5) 0.55298(17) 0.0304(15) Uani 1 1 d . . . B 1
H27A H 0.700485 0.581993 0.573815 0.036 Uiso 1 1 calc R U . B 1
H27B H 0.663732 0.663410 0.560021 0.036 Uiso 1 1 calc R U . B 1
C28P C 0.7271(3) 0.6409(5) 0.53035(19) 0.0377(17) Uani 1 1 d . . . B 1
H28A H 0.751287 0.682418 0.543118 0.056 Uiso 1 1 calc R U . B 1
H28B H 0.747178 0.588962 0.523683 0.056 Uiso 1 1 calc R U . B 1
H28C H 0.710447 0.670329 0.509897 0.056 Uiso 1 1 calc R U . B 1
C29P C 0.5719(3) 0.8546(5) 0.48317(19) 0.0329(16) Uani 1 1 d . . . B 1
H29A H 0.575920 0.846655 0.508213 0.039 Uiso 1 1 calc R U . B 1
H29B H 0.551212 0.909698 0.478137 0.039 Uiso 1 1 calc R U . B 1
C30P C 0.6276(3) 0.8653(5) 0.4703(2) 0.0415(18) Uani 1 1 d . . . B 1
H30A H 0.645662 0.916537 0.481524 0.062 Uiso 1 1 calc R U . B 1
H30B H 0.648631 0.811485 0.475702 0.062 Uiso 1 1 calc R U . B 1
H30C H 0.623908 0.874566 0.445608 0.062 Uiso 1 1 calc R U . B 1
C31P C 0.4790(3) 0.8516(5) 0.42079(19) 0.0348(16) Uani 1 1 d . . . B 1
H31A H 0.486085 0.907458 0.433694 0.042 Uiso 1 1 calc R U . B 1
H31B H 0.439903 0.843656 0.417326 0.042 Uiso 1 1 calc R U . B 1
C32P C 0.5009(3) 0.8603(5) 0.3861(2) 0.0442(19) Uani 1 1 d . . . B 1
H32A H 0.484006 0.910935 0.373748 0.066 Uiso 1 1 calc R U . B 1
H32B H 0.539461 0.869633 0.389275 0.066 Uiso 1 1 calc R U . B 1
H32C H 0.493248 0.805789 0.372896 0.066 Uiso 1 1 calc R U . B 1
C33P C 0.3758(3) 0.5999(5) 0.34926(19) 0.0368(17) Uani 1 1 d . . . B 1
H33A H 0.358936 0.648603 0.361298 0.044 Uiso 1 1 calc R U . B 1
H33B H 0.347177 0.566778 0.335808 0.044 Uiso 1 1 calc R U . B 1
C34P C 0.4130(3) 0.6397(5) 0.32514(19) 0.0413(18) Uani 1 1 d . . . B 1
H34A H 0.392859 0.679043 0.308888 0.062 Uiso 1 1 calc R U . B 1
H34B H 0.440998 0.673725 0.338234 0.062 Uiso 1 1 calc R U . B 1
H34C H 0.429233 0.591865 0.312734 0.062 Uiso 1 1 calc R U . B 1
C35P C 0.3759(3) 0.3844(5) 0.35087(19) 0.0365(17) Uani 1 1 d . . . B 1
H35A H 0.346629 0.415390 0.337229 0.044 Uiso 1 1 calc R U . B 1
H35B H 0.360130 0.336140 0.363742 0.044 Uiso 1 1 calc R U . B 1
C36P C 0.4142(3) 0.3441(5) 0.32685(19) 0.0395(18) Uani 1 1 d . . . B 1
H36A H 0.394644 0.302460 0.311167 0.059 Uiso 1 1 calc R U . B 1
H36B H 0.429352 0.391610 0.313785 0.059 Uiso 1 1 calc R U . B 1
H36C H 0.442843 0.312421 0.340277 0.059 Uiso 1 1 calc R U . B 1
C1S C 0.6371(4) 0.9974(5) 0.3824(2) 0.044(2) Uani 1 1 d . . . C 1
H1S H 0.613470 1.000344 0.399724 0.053 Uiso 1 1 calc R U . C 1
C2S C 0.6167(4) 0.9965(6) 0.3485(3) 0.057(2) Uani 1 1 d . . . C 1
H2S H 0.579375 0.998216 0.342623 0.068 Uiso 1 1 calc R U . C 1
C3S C 0.6518(4) 0.9931(6) 0.3231(2) 0.055(2) Uani 1 1 d . . . C 1
H3S H 0.638400 0.993341 0.299792 0.066 Uiso 1 1 calc R U . C 1
C4S C 0.7063(4) 0.9892(5) 0.3321(2) 0.047(2) Uani 1 1 d . . . C 1
H4S H 0.730232 0.985767 0.314878 0.057 Uiso 1 1 calc R U . C 1
C5S C 0.7256(4) 0.9904(5) 0.3659(2) 0.045(2) Uani 1 1 d . . . C 1
H5S H 0.762973 0.988767 0.371847 0.054 Uiso 1 1 calc R U . C 1
C6S C 0.6912(4) 0.9940(5) 0.3912(2) 0.0413(19) Uani 1 1 d . . . C 1
H6S H 0.704705 0.994098 0.414546 0.050 Uiso 1 1 calc R U . C 1
C7S C 0.4466(5) 0.1309(11) 0.2499(5) 0.112(6) Uani 1 1 d . . . D 1
H7S H 0.408931 0.128320 0.249312 0.134 Uiso 1 1 calc R U . D 1
C8S C 0.4762(4) 0.1344(9) 0.2806(4) 0.082(4) Uani 1 1 d . . . D 1
H8S H 0.459813 0.138882 0.301318 0.099 Uiso 1 1 calc R U . D 1
C9S C 0.5298(5) 0.1311(9) 0.2804(4) 0.088(4) Uani 1 1 d . . . D 1
H9S H 0.551557 0.128956 0.301433 0.106 Uiso 1 1 calc R U . D 1
C10S C 0.5266(7) 0.8635(12) 0.2816(5) 0.124(6) Uani 1 1 d . . . E 1
H10S H 0.547294 0.869757 0.302894 0.149 Uiso 1 1 calc R U . E 1
C11S C 0.5517(7) 0.8634(16) 0.2498(7) 0.173(11) Uani 1 1 d . . . E 1
H11S H 0.589303 0.869624 0.250734 0.208 Uiso 1 1 calc R U . E 1
C12S C 0.5246(5) 0.8549(13) 0.2198(4) 0.113(6) Uani 1 1 d . . . E 1
H12S H 0.542034 0.842929 0.199957 0.135 Uiso 1 1 calc R U . E 1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 N1A 2.034(10) . ?
Dy1 N1B 2.056(14) . ?
Dy1 C28A 2.406(10) . ?
Dy1 C23A 2.406(9) . ?
Dy1 C27A 2.442(9) . ?
Dy1 C24A 2.451(9) . ?
Dy1 C26A 2.477(9) . ?
Dy1 C25A 2.503(10) . ?
Dy1 C29A 2.750(9) . ?
Dy1 C22A 2.755(9) . ?
Dy1 C19A 2.887(9) . ?
Dy1 C32A 2.908(9) . ?
Gd1 N1A 2.085(10) . ?
Gd1 C47A 2.387(8) . ?
Gd1 C48A 2.419(8) . ?
Gd1 C63A 2.428(8) . ?
Gd1 C62A 2.448(9) . ?
Gd1 C51A 2.482(9) . ?
Gd1 C52A 2.507(9) . ?
Gd1 C46A 2.717(9) . ?
Gd1 C64A 2.776(8) . ?
Gd1 C49A 2.870(9) . ?
Gd1 C61A 2.908(8) . ?
Gd1 C50A 2.917(8) . ?
Gd2 N1A 2.097(11) . ?
Gd2 C68A 2.396(9) . ?
Gd2 C3A 2.406(8) . ?
Gd2 C10A 2.432(11) . ?
Gd2 C69A 2.435(9) . ?
Gd2 C4A 2.445(9) . ?
Gd2 C9A 2.454(8) . ?
Gd2 C2A 2.808(9) . ?
Gd2 C73A 2.813(9) . ?
Gd2 C70A 2.839(9) . ?
Gd2 C5A 2.843(9) . ?
Gd2 C11A 2.885(8) . ?
N1B Gd3 1.969(14) . ?
N1B Gd4 2.192(14) . ?
Gd4 Gd3 3.454(5) . ?
C1A C2A 1.361(15) . ?
C1A C5A 1.440(15) . ?
C1A C45A 1.462(15) . ?
C2A C42A 1.389(14) . ?
C2A C3A 1.519(15) . ?
C3A C68A 1.409(15) . ?
C3A C4A 1.523(16) . ?
C4A C5A 1.403(15) . ?
C4A C9A 1.420(14) . ?
C5A C6A 1.363(14) . ?
C6A C7A 1.411(14) . ?
C6A C67A 1.536(14) . ?
C7A C66A 1.407(15) . ?
C7A C8A 1.506(14) . ?
C8A C13A 1.392(16) . ?
C8A C9A 1.445(13) . ?
C9A C10A 1.435(15) . ?
C10A C69A 1.425(16) . ?
C10A C11A 1.513(15) . ?
C11A C80A 1.371(14) . ?
C11A C12A 1.455(15) . ?
C12A C17A 1.398(16) . ?
C12A C13A 1.443(16) . ?
C13A C14A 1.420(13) . ?
C14A C15A 1.374(15) . ?
C14A C66A 1.436(14) . ?
C15A C16A 1.343(16) . ?
C15A C59A 1.475(15) . ?
C16A C20A 1.446(16) . ?
C16A C17A 1.504(14) . ?
C17A C18A 1.398(16) . ?
C18A C79A 1.423(14) . ?
C18A C19A 1.423(15) . ?
C19A C20A 1.454(14) . ?
C19A C24A 1.469(17) . ?
C20A C21A 1.410(13) . ?
C21A C22A 1.382(16) . ?
C21A C58A 1.448(15) . ?
C22A C23A 1.411(15) . ?
C22A C55A 1.518(16) . ?
C23A C24A 1.431(18) . ?
C23A C28A 1.514(17) . ?
C24A C25A 1.469(15) . ?
C25A C26A 1.403(17) . ?
C25A C78A 1.436(16) . ?
C26A C76A 1.493(15) . ?
C26A C27A 1.509(15) . ?
C27A C28A 1.425(15) . ?
C27A C32A 1.431(15) . ?
C28A C29A 1.381(16) . ?
C29A C55A 1.443(16) . ?
C29A C30A 1.458(15) . ?
C30A C31A 1.400(15) . ?
C30A C54A 1.493(15) . ?
C31A C35A 1.367(16) . ?
C31A C32A 1.519(15) . ?
C32A C33A 1.381(16) . ?
C33A C75A 1.389(16) . ?
C33A C34A 1.431(16) . ?
C34A C39A 1.406(15) . ?
C34A C35A 1.458(14) . ?
C35A C36A 1.427(15) . ?
C36A C37A 1.402(15) . ?
C36A C50A 1.420(13) . ?
C37A C49A 1.414(15) . ?
C37A C38A 1.510(15) . ?
C38A C39A 1.353(15) . ?
C38A C43A 1.418(14) . ?
C39A C40A 1.492(14) . ?
C40A C74A 1.391(15) . ?
C40A C41A 1.425(15) . ?
C41A C42A 1.428(14) . ?
C41A C73A 1.458(14) . ?
C42A C43A 1.416(12) . ?
C43A C44A 1.420(12) . ?
C44A C49A 1.448(14) . ?
C44A C45A 1.454(15) . ?
C45A C46A 1.437(13) . ?
C46A C47A 1.389(14) . ?
C46A C67A 1.396(14) . ?
C47A C48A 1.461(14) . ?
C47A C63A 1.532(13) . ?
C48A C51A 1.417(15) . ?
C48A C49A 1.432(13) . ?
C50A C51A 1.402(14) . ?
C50A C54A 1.447(14) . ?
C51A C52A 1.532(14) . ?
C52A C53A 1.407(14) . ?
C52A C62A 1.443(14) . ?
C53A C54A 1.353(15) . ?
C53A C56A 1.456(14) . ?
C55A C56A 1.404(15) . ?
C56A C57A 1.357(15) . ?
C57A C58A 1.458(14) . ?
C57A C61A 1.501(14) . ?
C58A C59A 1.419(15) . ?
C59A C60A 1.419(15) . ?
C60A C61A 1.410(14) . ?
C60A C65A 1.481(15) . ?
C61A C62A 1.479(13) . ?
C62A C63A 1.414(14) . ?
C63A C64A 1.465(13) . ?
C64A C67A 1.412(12) . ?
C64A C65A 1.428(13) . ?
C65A C66A 1.397(15) . ?
C68A C73A 1.391(15) . ?
C68A C69A 1.487(15) . ?
C69A C70A 1.432(14) . ?
C70A C71A 1.382(15) . ?
C70A C80A 1.521(14) . ?
C71A C77A 1.386(15) . ?
C71A C72A 1.459(14) . ?
C72A C74A 1.413(14) . ?
C72A C73A 1.501(14) . ?
C74A C75A 1.488(15) . ?
C75A C76A 1.421(14) . ?
C76A C77A 1.440(15) . ?
C77A C78A 1.464(15) . ?
C78A C79A 1.453(15) . ?
C79A C80A 1.396(15) . ?
Ni1P N2P 1.960(6) . ?
Ni1P N4P 1.968(6) . ?
Ni1P N3P 1.979(5) . ?
Ni1P N1P 1.982(5) . ?
N1P C4P 1.358(9) . ?
N1P C1P 1.367(8) . ?
N2P C6P 1.370(8) . ?
N2P C9P 1.388(8) . ?
N3P C11P 1.360(8) . ?
N3P C14P 1.375(8) . ?
N4P C19P 1.365(8) . ?
N4P C16P 1.378(8) . ?
C1P C20P 1.378(10) . ?
C1P C2P 1.445(9) . ?
C2P C3P 1.371(10) . ?
C2P C21P 1.504(10) . ?
C3P C4P 1.451(9) . ?
C3P C23P 1.488(10) . ?
C4P C5P 1.368(10) . ?
C5P C6P 1.381(9) . ?
C5P H5P 0.9500 . ?
C6P C7P 1.439(9) . ?
C7P C8P 1.365(10) . ?
C7P C25P 1.498(9) . ?
C8P C9P 1.453(9) . ?
C8P C27P 1.483(9) . ?
C9P C10P 1.362(9) . ?
C10P C11P 1.376(9) . ?
C10P H10P 0.9500 . ?
C11P C12P 1.469(9) . ?
C12P C13P 1.361(10) . ?
C12P C29P 1.485(9) . ?
C13P C14P 1.432(9) . ?
C13P C31P 1.484(9) . ?
C14P C15P 1.390(9) . ?
C15P C16P 1.369(10) . ?
C15P H15P 0.9500 . ?
C16P C17P 1.433(9) . ?
C17P C18P 1.356(11) . ?
C17P C33P 1.499(10) . ?
C18P C19P 1.443(9) . ?
C18P C35P 1.493(10) . ?
C19P C20P 1.381(9) . ?
C20P H20P 0.9500 . ?
C21P C22P 1.509(11) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.536(10) . ?
C23P H23A 0.9900 . ?
C23P H23B 0.9900 . ?
C24P H24A 0.9800 . ?
C24P H24B 0.9800 . ?
C24P H24C 0.9800 . ?
C25P C26P 1.540(9) . ?
C25P H25A 0.9900 . ?
C25P H25B 0.9900 . ?
C26P H26A 0.9800 . ?
C26P H26B 0.9800 . ?
C26P H26C 0.9800 . ?
C27P C28P 1.546(9) . ?
C27P H27A 0.9900 . ?
C27P H27B 0.9900 . ?
C28P H28A 0.9800 . ?
C28P H28B 0.9800 . ?
C28P H28C 0.9800 . ?
C29P C30P 1.547(10) . ?
C29P H29A 0.9900 . ?
C29P H29B 0.9900 . ?
C30P H30A 0.9800 . ?
C30P H30B 0.9800 . ?
C30P H30C 0.9800 . ?
C31P C32P 1.528(11) . ?
C31P H31A 0.9900 . ?
C31P H31B 0.9900 . ?
C32P H32A 0.9800 . ?
C32P H32B 0.9800 . ?
C32P H32C 0.9800 . ?
C33P C34P 1.519(11) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.537(11) . ?
C35P H35A 0.9900 . ?
C35P H35B 0.9900 . ?
C36P H36A 0.9800 . ?
C36P H36B 0.9800 . ?
C36P H36C 0.9800 . ?
C1S C6S 1.377(13) . ?
C1S C2S 1.386(13) . ?
C1S H1S 0.9500 . ?
C2S C3S 1.395(14) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.390(15) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.375(13) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.385(12) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C7S C8S 1.36(2) . ?
C7S C9S 1.38(2) 2_655 ?
C7S H7S 0.9500 . ?
C8S C9S 1.355(16) . ?
C8S H8S 0.9500 . ?
C9S H9S 0.9500 . ?
C10S C12S 1.30(2) 2_655 ?
C10S C11S 1.46(3) . ?
C10S H10S 0.9500 . ?
C11S C12S 1.32(3) . ?
C11S H11S 0.9500 . ?
C12S H12S 0.9500 . ?

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
N1A Dy1 C28A 141.9(5) . . ?
N1A Dy1 C23A 157.8(4) . . ?
C28A Dy1 C23A 36.7(4) . . ?
N1A Dy1 C27A 128.9(5) . . ?
C28A Dy1 C27A 34.2(4) . . ?
C23A Dy1 C27A 63.6(4) . . ?
N1A Dy1 C24A 153.4(5) . . ?
C28A Dy1 C24A 63.8(5) . . ?
C23A Dy1 C24A 34.3(4) . . ?
C27A Dy1 C24A 75.3(4) . . ?
N1A Dy1 C26A 129.9(4) . . ?
C28A Dy1 C26A 61.2(4) . . ?
C23A Dy1 C26A 71.7(4) . . ?
C27A Dy1 C26A 35.7(4) . . ?
C24A Dy1 C26A 61.0(4) . . ?
N1A Dy1 C25A 139.5(4) . . ?
C28A Dy1 C25A 72.3(4) . . ?
C23A Dy1 C25A 60.6(4) . . ?
C27A Dy1 C25A 62.4(4) . . ?
C24A Dy1 C25A 34.5(4) . . ?
C26A Dy1 C25A 32.7(4) . . ?
N1A Dy1 C29A 115.2(4) . . ?
C28A Dy1 C29A 30.1(3) . . ?
C23A Dy1 C29A 53.2(4) . . ?
C27A Dy1 C29A 55.2(3) . . ?
C24A Dy1 C29A 86.8(4) . . ?
C26A Dy1 C29A 88.7(4) . . ?
C25A Dy1 C29A 102.3(4) . . ?
N1A Dy1 C22A 127.1(4) . . ?
C28A Dy1 C22A 53.6(4) . . ?
C23A Dy1 C22A 30.8(3) . . ?
C27A Dy1 C22A 87.2(3) . . ?
C24A Dy1 C22A 55.7(4) . . ?
C26A Dy1 C22A 102.3(4) . . ?
C25A Dy1 C22A 88.4(4) . . ?
C29A Dy1 C22A 49.9(4) . . ?
N1A Dy1 C19A 123.7(4) . . ?
C28A Dy1 C19A 90.6(4) . . ?
C23A Dy1 C19A 55.0(4) . . ?
C27A Dy1 C19A 105.8(4) . . ?
C24A Dy1 C19A 30.6(4) . . ?
C26A Dy1 C19A 85.9(4) . . ?
C25A Dy1 C19A 53.7(4) . . ?
C29A Dy1 C19A 105.6(3) . . ?
C22A Dy1 C19A 59.3(3) . . ?
N1A Dy1 C32A 99.6(4) . . ?
C28A Dy1 C32A 54.6(4) . . ?
C23A Dy1 C32A 89.9(4) . . ?
C27A Dy1 C32A 29.4(3) . . ?
C24A Dy1 C32A 104.5(4) . . ?
C26A Dy1 C32A 53.7(3) . . ?
C25A Dy1 C32A 85.9(4) . . ?
C29A Dy1 C32A 59.8(3) . . ?
C22A Dy1 C32A 106.0(3) . . ?
C19A Dy1 C32A 134.9(3) . . ?
N1A Gd1 C47A 145.2(4) . . ?
N1A Gd1 C48A 130.4(5) . . ?
C47A Gd1 C48A 35.4(3) . . ?
N1A Gd1 C63A 159.1(4) . . ?
C47A Gd1 C63A 37.1(3) . . ?
C48A Gd1 C63A 64.6(4) . . ?
N1A Gd1 C62A 150.9(4) . . ?
C47A Gd1 C62A 63.4(3) . . ?
C48A Gd1 C62A 74.6(4) . . ?
C63A Gd1 C62A 33.7(3) . . ?
N1A Gd1 C51A 128.1(4) . . ?
C47A Gd1 C51A 61.2(4) . . ?
C48A Gd1 C51A 33.6(3) . . ?
C63A Gd1 C51A 72.7(3) . . ?
C62A Gd1 C51A 62.0(4) . . ?
N1A Gd1 C52A 135.8(4) . . ?
C47A Gd1 C52A 73.8(3) . . ?
C48A Gd1 C52A 63.2(3) . . ?
C63A Gd1 C52A 61.0(3) . . ?
C62A Gd1 C52A 33.8(3) . . ?
C51A Gd1 C52A 35.8(3) . . ?
N1A Gd1 C46A 118.1(4) . . ?
C47A Gd1 C46A 30.7(3) . . ?
C48A Gd1 C46A 57.3(4) . . ?
C63A Gd1 C46A 53.6(3) . . ?
C62A Gd1 C46A 86.7(3) . . ?
C51A Gd1 C46A 89.1(4) . . ?
C52A Gd1 C46A 104.1(3) . . ?
N1A Gd1 C64A 127.3(4) . . ?
C47A Gd1 C64A 54.1(3) . . ?
C48A Gd1 C64A 88.9(3) . . ?
C63A Gd1 C64A 31.8(3) . . ?
C62A Gd1 C64A 56.9(3) . . ?
C51A Gd1 C64A 104.2(3) . . ?
C52A Gd1 C64A 89.6(3) . . ?
C46A Gd1 C64A 49.3(3) . . ?
N1A Gd1 C49A 101.2(4) . . ?
C47A Gd1 C49A 54.9(3) . . ?
C48A Gd1 C49A 29.9(3) . . ?
C63A Gd1 C49A 90.7(3) . . ?
C62A Gd1 C49A 104.4(3) . . ?
C51A Gd1 C49A 52.7(3) . . ?
C52A Gd1 C49A 87.9(3) . . ?
C46A Gd1 C49A 60.5(3) . . ?
C64A Gd1 C49A 106.4(3) . . ?
N1A Gd1 C61A 122.0(4) . . ?
C47A Gd1 C61A 89.5(3) . . ?
C48A Gd1 C61A 105.1(3) . . ?
C63A Gd1 C61A 53.3(3) . . ?
C62A Gd1 C61A 30.5(3) . . ?
C51A Gd1 C61A 87.7(3) . . ?
C52A Gd1 C61A 52.9(3) . . ?
C46A Gd1 C61A 104.0(3) . . ?
C64A Gd1 C61A 58.5(3) . . ?
C49A Gd1 C61A 134.9(3) . . ?
N1A Gd1 C50A 100.0(4) . . ?
C47A Gd1 C50A 87.1(3) . . ?
C48A Gd1 C50A 53.5(3) . . ?
C63A Gd1 C50A 100.9(3) . . ?
C62A Gd1 C50A 83.3(3) . . ?
C51A Gd1 C50A 28.7(3) . . ?
C52A Gd1 C50A 50.2(3) . . ?
C46A Gd1 C50A 110.3(3) . . ?
C64A Gd1 C50A 132.6(2) . . ?
C49A Gd1 C50A 56.2(3) . . ?
C61A Gd1 C50A 100.5(3) . . ?
N1A Gd2 C68A 133.1(5) . . ?
N1A Gd2 C3A 137.1(4) . . ?
C68A Gd2 C3A 34.1(4) . . ?
N1A Gd2 C10A 151.9(4) . . ?
C68A Gd2 C10A 62.6(4) . . ?
C3A Gd2 C10A 70.2(4) . . ?
N1A Gd2 C69A 141.5(4) . . ?
C68A Gd2 C69A 35.8(3) . . ?
C3A Gd2 C69A 60.7(4) . . ?
C10A Gd2 C69A 34.0(4) . . ?
N1A Gd2 C4A 143.2(4) . . ?
C68A Gd2 C4A 65.1(4) . . ?
C3A Gd2 C4A 36.6(4) . . ?
C10A Gd2 C4A 60.4(4) . . ?
C69A Gd2 C4A 73.9(4) . . ?
N1A Gd2 C9A 151.0(4) . . ?
C68A Gd2 C9A 75.6(4) . . ?
C3A Gd2 C9A 61.9(3) . . ?
C10A Gd2 C9A 34.1(3) . . ?
C69A Gd2 C9A 62.5(3) . . ?
C4A Gd2 C9A 33.7(3) . . ?
N1A Gd2 C2A 105.4(4) . . ?
C68A Gd2 C2A 57.0(3) . . ?
C3A Gd2 C2A 32.7(3) . . ?
C10A Gd2 C2A 102.5(4) . . ?
C69A Gd2 C2A 90.7(3) . . ?
C4A Gd2 C2A 53.1(4) . . ?
C9A Gd2 C2A 86.2(3) . . ?
N1A Gd2 C73A 103.6(4) . . ?
C68A Gd2 C73A 29.6(3) . . ?
C3A Gd2 C73A 54.3(3) . . ?
C10A Gd2 C73A 87.8(4) . . ?
C69A Gd2 C73A 54.9(3) . . ?
C4A Gd2 C73A 90.3(4) . . ?
C9A Gd2 C73A 105.2(3) . . ?
C2A Gd2 C73A 59.6(3) . . ?
N1A Gd2 C70A 112.3(3) . . ?
C68A Gd2 C70A 55.7(3) . . ?
C3A Gd2 C70A 87.6(4) . . ?
C10A Gd2 C70A 52.6(4) . . ?
C69A Gd2 C70A 30.3(3) . . ?
C4A Gd2 C70A 104.0(3) . . ?
C9A Gd2 C70A 86.4(3) . . ?
C2A Gd2 C70A 111.9(3) . . ?
C73A Gd2 C70A 57.7(3) . . ?
N1A Gd2 C5A 113.7(4) . . ?
C68A Gd2 C5A 87.0(3) . . ?
C3A Gd2 C5A 53.2(4) . . ?
C10A Gd2 C5A 87.5(4) . . ?
C69A Gd2 C5A 103.2(3) . . ?
C4A Gd2 C5A 29.6(3) . . ?
C9A Gd2 C5A 55.1(3) . . ?
C2A Gd2 C5A 48.1(3) . . ?
C73A Gd2 C5A 104.1(3) . . ?
C70A Gd2 C5A 133.4(3) . . ?
N1A Gd2 C11A 120.3(4) . . ?
C68A Gd2 C11A 86.3(3) . . ?
C3A Gd2 C11A 101.5(3) . . ?
C10A Gd2 C11A 31.6(3) . . ?
C69A Gd2 C11A 50.8(3) . . ?
C4A Gd2 C11A 88.5(3) . . ?
C9A Gd2 C11A 56.1(3) . . ?
C2A Gd2 C11A 134.1(3) . . ?
C73A Gd2 C11A 102.6(3) . . ?
C70A Gd2 C11A 47.9(3) . . ?
C5A Gd2 C11A 110.3(3) . . ?
Dy1 N1A Gd1 116.8(5) . . ?
Dy1 N1A Gd2 118.0(5) . . ?
Gd1 N1A Gd2 111.1(5) . . ?
Gd3 N1B Dy1 132.1(8) . . ?
Gd3 N1B Gd4 112.1(7) . . ?
Dy1 N1B Gd4 102.2(6) . . ?
N1B Gd4 Dy1 37.4(4) . . ?
N1B Gd4 Gd3 31.9(4) . . ?
Dy1 Gd4 Gd3 65.87(8) . . ?
N1B Gd3 Gd4 36.0(4) . . ?
N1B Gd3 Dy1 24.5(5) . . ?
Gd4 Gd3 Dy1 55.15(8) . . ?
C2A C1A C5A 110.6(10) . . ?
C2A C1A C45A 123.9(9) . . ?
C5A C1A C45A 119.2(10) . . ?
C2A C1A Gd2 66.8(5) . . ?
C5A C1A Gd2 67.9(5) . . ?
C45A C1A Gd2 109.4(5) . . ?
C1A C2A C42A 119.9(10) . . ?
C1A C2A C3A 109.7(9) . . ?
C42A C2A C3A 123.0(10) . . ?
C1A C2A Gd2 86.8(5) . . ?
C42A C2A Gd2 96.3(5) . . ?
C3A C2A Gd2 59.0(4) . . ?
C68A C3A C2A 117.9(9) . . ?
C68A C3A C4A 125.2(10) . . ?
C2A C3A C4A 102.2(9) . . ?
C68A C3A Gd2 72.5(5) . . ?
C2A C3A Gd2 88.3(5) . . ?
C4A C3A Gd2 73.1(5) . . ?
C5A C4A C9A 122.5(11) . . ?
C5A C4A C3A 108.8(10) . . ?
C9A C4A C3A 116.4(9) . . ?
C5A C4A Gd2 91.1(6) . . ?
C9A C4A Gd2 73.5(5) . . ?
C3A C4A Gd2 70.3(5) . . ?
C6A C5A C4A 122.4(11) . . ?
C6A C5A C1A 121.7(11) . . ?
C4A C5A C1A 108.7(10) . . ?
C6A C5A Gd2 98.2(6) . . ?
C4A C5A Gd2 59.3(5) . . ?
C1A C5A Gd2 84.1(5) . . ?
C5A C6A C7A 121.0(10) . . ?
C5A C6A C67A 117.3(9) . . ?
C7A C6A C67A 114.3(8) . . ?
C66A C7A C6A 124.5(9) . . ?
C66A C7A C8A 109.2(9) . . ?
C6A C7A C8A 116.6(8) . . ?
C13A C8A C9A 126.3(11) . . ?
C13A C8A C7A 103.5(9) . . ?
C9A C8A C7A 121.9(9) . . ?
C13A C8A Gd2 95.9(6) . . ?
C9A C8A Gd2 56.3(4) . . ?
C7A C8A Gd2 94.8(5) . . ?
C4A C9A C10A 118.5(9) . . ?
C4A C9A C8A 115.1(9) . . ?
C10A C9A C8A 116.4(9) . . ?
C4A C9A Gd2 72.8(5) . . ?
C10A C9A Gd2 72.1(5) . . ?
C8A C9A Gd2 94.4(5) . . ?
C69A C10A C9A 125.1(11) . . ?
C69A C10A C11A 104.1(10) . . ?
C9A C10A C11A 118.9(10) . . ?
C69A C10A Gd2 73.1(6) . . ?
C9A C10A Gd2 73.8(5) . . ?
C11A C10A Gd2 90.9(6) . . ?
C80A C11A C12A 118.8(9) . . ?
C80A C11A C10A 111.2(9) . . ?
C12A C11A C10A 120.7(10) . . ?
C80A C11A Gd2 86.1(5) . . ?
C12A C11A Gd2 95.5(5) . . ?
C10A C11A Gd2 57.5(5) . . ?
C17A C12A C13A 117.9(10) . . ?
C17A C12A C11A 117.0(10) . . ?
C13A C12A C11A 118.4(11) . . ?
C8A C13A C14A 112.7(11) . . ?
C8A C13A C12A 119.1(10) . . ?
C14A C13A C12A 120.2(11) . . ?
C15A C14A C13A 120.3(10) . . ?
C15A C14A C66A 122.3(10) . . ?
C13A C14A C66A 106.8(10) . . ?
C16A C15A C14A 123.2(11) . . ?
C16A C15A C59A 112.4(11) . . ?
C14A C15A C59A 117.9(10) . . ?
C15A C16A C20A 127.7(11) . . ?
C15A C16A C17A 118.2(11) . . ?
C20A C16A C17A 105.5(10) . . ?
C18A C17A C12A 122.1(10) . . ?
C18A C17A C16A 107.3(10) . . ?
C12A C17A C16A 120.1(10) . . ?
C17A C18A C79A 120.8(10) . . ?
C17A C18A C19A 111.2(9) . . ?
C79A C18A C19A 119.0(10) . . ?
C18A C19A C20A 106.7(10) . . ?
C18A C19A C24A 126.8(9) . . ?
C20A C19A C24A 119.6(9) . . ?
C18A C19A Dy1 97.4(5) . . ?
C20A C19A Dy1 92.7(5) . . ?
C24A C19A Dy1 58.1(5) . . ?
C21A C20A C16A 120.0(9) . . ?
C21A C20A C19A 120.5(10) . . ?
C16A C20A C19A 109.2(9) . . ?
C22A C21A C20A 117.9(10) . . ?
C22A C21A C58A 119.1(10) . . ?
C20A C21A C58A 115.2(10) . . ?
C21A C22A C23A 125.0(12) . . ?
C21A C22A C55A 117.3(10) . . ?
C23A C22A C55A 109.8(10) . . ?
C21A C22A Dy1 96.6(6) . . ?
C23A C22A Dy1 60.8(5) . . ?
C55A C22A Dy1 84.3(5) . . ?
C22A C23A C24A 119.0(11) . . ?
C22A C23A C28A 106.6(10) . . ?
C24A C23A C28A 121.3(10) . . ?
C22A C23A Dy1 88.4(6) . . ?
C24A C23A Dy1 74.6(5) . . ?
C28A C23A Dy1 71.7(5) . . ?
C23A C24A C25A 117.6(12) . . ?
C23A C24A C19A 117.6(9) . . ?
C25A C24A C19A 113.8(11) . . ?
C23A C24A Dy1 71.1(5) . . ?
C25A C24A Dy1 74.7(6) . . ?
C19A C24A Dy1 91.3(5) . . ?
C26A C25A C78A 107.3(10) . . ?
C26A C25A C24A 121.2(12) . . ?
C78A C25A C24A 118.3(12) . . ?
C26A C25A Dy1 72.6(6) . . ?
C78A C25A Dy1 91.9(6) . . ?
C24A C25A Dy1 70.8(5) . . ?
C25A C26A C76A 109.0(10) . . ?
C25A C26A C27A 123.1(11) . . ?
C76A C26A C27A 116.5(9) . . ?
C25A C26A Dy1 74.7(6) . . ?
C76A C26A Dy1 93.0(5) . . ?
C27A C26A Dy1 70.9(5) . . ?
C28A C27A C32A 120.4(10) . . ?
C28A C27A C26A 115.8(10) . . ?
C32A C27A C26A 113.8(9) . . ?
C28A C27A Dy1 71.5(5) . . ?
C32A C27A Dy1 93.6(5) . . ?
C26A C27A Dy1 73.4(5) . . ?
C29A C28A C27A 119.2(12) . . ?
C29A C28A C23A 107.0(10) . . ?
C27A C28A C23A 120.8(10) . . ?
C29A C28A Dy1 88.9(6) . . ?
C27A C28A Dy1 74.3(6) . . ?
C23A C28A Dy1 71.7(5) . . ?
C28A C29A C55A 113.3(11) . . ?
C28A C29A C30A 123.4(12) . . ?
C55A C29A C30A 115.1(10) . . ?
C28A C29A Dy1 61.0(5) . . ?
C55A C29A Dy1 85.8(5) . . ?
C30A C29A Dy1 95.3(5) . . ?
C31A C30A C29A 119.4(10) . . ?
C31A C30A C54A 116.2(10) . . ?
C29A C30A C54A 116.9(9) . . ?
C35A C31A C30A 124.2(11) . . ?
C35A C31A C32A 108.8(10) . . ?
C30A C31A C32A 117.7(10) . . ?
C33A C32A C27A 127.6(10) . . ?
C33A C32A C31A 104.6(9) . . ?
C27A C32A C31A 119.7(9) . . ?
C33A C32A Dy1 97.6(6) . . ?
C27A C32A Dy1 57.0(5) . . ?
C31A C32A Dy1 92.3(5) . . ?
C32A C33A C75A 120.3(12) . . ?
C32A C33A C34A 111.8(10) . . ?
C75A C33A C34A 119.1(11) . . ?
C39A C34A C33A 125.9(10) . . ?
C39A C34A C35A 118.6(10) . . ?
C33A C34A C35A 106.0(10) . . ?
C31A C35A C36A 119.9(11) . . ?
C31A C35A C34A 108.9(10) . . ?
C36A C35A C34A 121.4(11) . . ?
C37A C36A C50A 114.3(9) . . ?
C37A C36A C35A 117.5(10) . . ?
C50A C36A C35A 121.3(10) . . ?
C36A C37A C49A 121.3(9) . . ?
C36A C37A C38A 121.2(10) . . ?
C49A C37A C38A 107.7(9) . . ?
C39A C38A C43A 124.3(10) . . ?
C39A C38A C37A 118.1(11) . . ?
C43A C38A C37A 107.5(9) . . ?
C38A C39A C34A 123.1(11) . . ?
C38A C39A C40A 114.8(11) . . ?
C34A C39A C40A 115.2(10) . . ?
C74A C40A C41A 109.8(9) . . ?
C74A C40A C39A 119.0(10) . . ?
C41A C40A C39A 120.9(10) . . ?
C40A C41A C42A 121.6(9) . . ?
C40A C41A C73A 108.9(9) . . ?
C42A C41A C73A 120.6(10) . . ?
C2A C42A C43A 119.9(9) . . ?
C2A C42A C41A 116.6(9) . . ?
C43A C42A C41A 115.7(9) . . ?
C42A C43A C38A 122.3(9) . . ?
C42A C43A C44A 121.5(9) . . ?
C38A C43A C44A 107.1(8) . . ?
C43A C44A C49A 111.2(9) . . ?
C43A C44A C45A 119.2(8) . . ?
C49A C44A C45A 120.3(8) . . ?
C46A C45A C44A 116.1(10) . . ?
C46A C45A C1A 122.1(10) . . ?
C44A C45A C1A 115.4(8) . . ?
C47A C46A C67A 111.5(9) . . ?
C47A C46A C45A 123.8(10) . . ?
C67A C46A C45A 116.2(10) . . ?
C47A C46A Gd1 61.4(5) . . ?
C67A C46A Gd1 85.8(5) . . ?
C45A C46A Gd1 94.0(5) . . ?
C46A C47A C48A 120.8(9) . . ?
C46A C47A C63A 106.1(8) . . ?
C48A C47A C63A 119.9(9) . . ?
C46A C47A Gd1 87.9(5) . . ?
C48A C47A Gd1 73.5(5) . . ?
C63A C47A Gd1 72.9(5) . . ?
C51A C48A C49A 114.7(10) . . ?
C51A C48A C47A 118.9(9) . . ?
C49A C48A C47A 116.7(9) . . ?
C51A C48A Gd1 75.6(5) . . ?
C49A C48A Gd1 92.8(5) . . ?
C47A C48A Gd1 71.1(5) . . ?
C37A C49A C48A 123.8(10) . . ?
C37A C49A C44A 106.4(8) . . ?
C48A C49A C44A 121.9(10) . . ?
C37A C49A Gd1 97.3(5) . . ?
C48A C49A Gd1 57.3(4) . . ?
C44A C49A Gd1 91.6(5) . . ?
C51A C50A C36A 125.4(9) . . ?
C51A C50A C54A 109.6(9) . . ?
C36A C50A C54A 117.7(9) . . ?
C51A C50A Gd1 58.2(5) . . ?
C36A C50A Gd1 96.9(5) . . ?
C54A C50A Gd1 88.1(5) . . ?
C50A C51A C48A 120.2(9) . . ?
C50A C51A C52A 105.2(9) . . ?
C48A C51A C52A 122.2(9) . . ?
C50A C51A Gd1 93.2(6) . . ?
C48A C51A Gd1 70.8(5) . . ?
C52A C51A Gd1 73.0(5) . . ?
C53A C52A C62A 125.4(10) . . ?
C53A C52A C51A 105.0(9) . . ?
C62A C52A C51A 117.2(9) . . ?
C53A C52A Gd1 93.7(5) . . ?
C62A C52A Gd1 70.8(5) . . ?
C51A C52A Gd1 71.2(5) . . ?
C54A C53A C52A 112.3(10) . . ?
C54A C53A C56A 119.9(10) . . ?
C52A C53A C56A 120.4(10) . . ?
C54A C53A Gd1 88.4(6) . . ?
C52A C53A Gd1 57.9(5) . . ?
C56A C53A Gd1 95.9(5) . . ?
C53A C54A C50A 107.9(10) . . ?
C53A C54A C30A 124.4(10) . . ?
C50A C54A C30A 120.5(10) . . ?
C56A C55A C29A 127.4(10) . . ?
C56A C55A C22A 122.5(10) . . ?
C29A C55A C22A 103.2(9) . . ?
C56A C55A Dy1 108.9(5) . . ?
C29A C55A Dy1 65.7(5) . . ?
C22A C55A Dy1 65.6(5) . . ?
C57A C56A C55A 118.9(10) . . ?
C57A C56A C53A 117.4(10) . . ?
C55A C56A C53A 116.0(10) . . ?
C56A C57A C58A 120.9(10) . . ?
C56A C57A C61A 123.2(10) . . ?
C58A C57A C61A 106.5(9) . . ?
C59A C58A C21A 122.1(9) . . ?
C59A C58A C57A 108.2(9) . . ?
C21A C58A C57A 121.2(10) . . ?
C60A C59A C58A 108.5(9) . . ?
C60A C59A C15A 118.9(9) . . ?
C58A C59A C15A 122.3(10) . . ?
C61A C60A C59A 110.8(9) . . ?
C61A C60A C65A 118.5(9) . . ?
C59A C60A C65A 122.7(10) . . ?
C60A C61A C62A 126.1(9) . . ?
C60A C61A C57A 106.0(8) . . ?
C62A C61A C57A 119.9(9) . . ?
C60A C61A Gd1 93.8(5) . . ?
C62A C61A Gd1 57.2(4) . . ?
C57A C61A Gd1 95.4(5) . . ?
C63A C62A C52A 122.6(10) . . ?
C63A C62A C61A 114.3(10) . . ?
C52A C62A C61A 113.2(9) . . ?
C63A C62A Gd1 72.4(5) . . ?
C52A C62A Gd1 75.4(5) . . ?
C61A C62A Gd1 92.2(5) . . ?
C62A C63A C64A 120.8(9) . . ?
C62A C63A C47A 119.2(9) . . ?
C64A C63A C47A 104.6(8) . . ?
C62A C63A Gd1 73.9(5) . . ?
C64A C63A Gd1 87.3(5) . . ?
C47A C63A Gd1 70.0(5) . . ?
C67A C64A C65A 120.2(9) . . ?
C67A C64A C63A 108.4(8) . . ?
C65A C64A C63A 123.7(8) . . ?
C67A C64A Gd1 83.2(5) . . ?
C65A C64A Gd1 97.0(5) . . ?
C63A C64A Gd1 60.9(4) . . ?
C66A C65A C64A 120.7(10) . . ?
C66A C65A C60A 114.8(10) . . ?
C64A C65A C60A 116.1(10) . . ?
C65A C66A C7A 119.8(10) . . ?
C65A C66A C14A 123.2(11) . . ?
C7A C66A C14A 107.8(9) . . ?
C46A C67A C64A 109.2(9) . . ?
C46A C67A C6A 123.3(9) . . ?
C64A C67A C6A 120.1(8) . . ?
C46A C67A Gd1 66.2(5) . . ?
C64A C67A Gd1 68.5(5) . . ?
C6A C67A Gd1 106.8(5) . . ?
C73A C68A C3A 118.8(10) . . ?
C73A C68A C69A 116.2(9) . . ?
C3A C68A C69A 115.4(10) . . ?
C73A C68A Gd2 92.1(6) . . ?
C3A C68A Gd2 73.4(5) . . ?
C69A C68A Gd2 73.5(5) . . ?
C10A C69A C70A 111.6(10) . . ?
C10A C69A C68A 118.9(10) . . ?
C70A C69A C68A 116.0(10) . . ?
C10A C69A Gd2 72.9(6) . . ?
C70A C69A Gd2 90.6(6) . . ?
C68A C69A Gd2 70.6(5) . . ?
C71A C70A C69A 129.9(10) . . ?
C71A C70A C80A 114.4(9) . . ?
C69A C70A C80A 106.0(9) . . ?
C71A C70A Gd2 95.4(6) . . ?
C69A C70A Gd2 59.1(5) . . ?
C80A C70A Gd2 85.3(5) . . ?
C70A C71A C77A 124.1(11) . . ?
C70A C71A C72A 114.9(9) . . ?
C77A C71A C72A 114.7(11) . . ?
C74A C72A C71A 124.5(9) . . ?
C74A C72A C73A 108.6(8) . . ?
C71A C72A C73A 117.1(9) . . ?
C68A C73A C41A 122.7(10) . . ?
C68A C73A C72A 125.6(9) . . ?
C41A C73A C72A 103.9(9) . . ?
C68A C73A Gd2 58.3(5) . . ?
C41A C73A Gd2 94.2(5) . . ?
C72A C73A Gd2 94.8(5) . . ?
C40A C74A C72A 108.9(9) . . ?
C40A C74A C75A 123.3(10) . . ?
C72A C74A C75A 118.2(10) . . ?
C33A C75A C76A 118.0(11) . . ?
C33A C75A C74A 117.2(10) . . ?
C76A C75A C74A 117.5(10) . . ?
C75A C76A C77A 120.4(10) . . ?
C75A C76A C26A 123.5(9) . . ?
C77A C76A C26A 107.4(10) . . ?
C75A C76A Dy1 95.6(5) . . ?
C77A C76A Dy1 87.4(5) . . ?
C26A C76A Dy1 56.7(4) . . ?
C71A C77A C76A 124.3(11) . . ?
C71A C77A C78A 122.7(11) . . ?
C76A C77A C78A 105.8(10) . . ?
C25A C78A C79A 126.2(10) . . ?
C25A C78A C77A 110.4(10) . . ?
C79A C78A C77A 115.4(10) . . ?
C25A C78A Dy1 58.7(5) . . ?
C79A C78A Dy1 95.6(5) . . ?
C77A C78A Dy1 88.2(5) . . ?
C80A C79A C18A 116.2(10) . . ?
C80A C79A C78A 120.9(10) . . ?
C18A C79A C78A 115.7(10) . . ?
C11A C80A C79A 124.7(10) . . ?
C11A C80A C70A 107.0(9) . . ?
C79A C80A C70A 122.2(10) . . ?
N2P Ni1P N4P 176.7(2) . . ?
N2P Ni1P N3P 90.1(2) . . ?
N4P Ni1P N3P 90.1(2) . . ?
N2P Ni1P N1P 89.7(2) . . ?
N4P Ni1P N1P 89.9(2) . . ?
N3P Ni1P N1P 177.5(2) . . ?
C4P N1P C1P 105.1(5) . . ?
C4P N1P Ni1P 127.6(4) . . ?
C1P N1P Ni1P 127.4(5) . . ?
C6P N2P C9P 104.4(5) . . ?
C6P N2P Ni1P 128.3(4) . . ?
C9P N2P Ni1P 127.2(4) . . ?
C11P N3P C14P 104.8(5) . . ?
C11P N3P Ni1P 127.0(4) . . ?
C14P N3P Ni1P 128.2(4) . . ?
C19P N4P C16P 104.5(6) . . ?
C19P N4P Ni1P 128.0(4) . . ?
C16P N4P Ni1P 127.4(4) . . ?
N1P C1P C20P 125.1(6) . . ?
N1P C1P C2P 111.5(6) . . ?
C20P C1P C2P 123.3(6) . . ?
C3P C2P C1P 106.0(6) . . ?
C3P C2P C21P 129.2(7) . . ?
C1P C2P C21P 124.7(6) . . ?
C2P C3P C4P 105.7(6) . . ?
C2P C3P C23P 129.0(6) . . ?
C4P C3P C23P 125.3(6) . . ?
N1P C4P C5P 125.2(6) . . ?
N1P C4P C3P 111.7(6) . . ?
C5P C4P C3P 123.0(6) . . ?
C4P C5P C6P 124.9(6) . . ?
C4P C5P H5P 117.6 . . ?
C6P C5P H5P 117.6 . . ?
N2P C6P C5P 124.3(6) . . ?
N2P C6P C7P 112.0(6) . . ?
C5P C6P C7P 123.7(6) . . ?
C8P C7P C6P 106.5(6) . . ?
C8P C7P C25P 128.6(6) . . ?
C6P C7P C25P 124.8(6) . . ?
C7P C8P C9P 106.3(6) . . ?
C7P C8P C27P 129.3(6) . . ?
C9P C8P C27P 124.2(6) . . ?
C10P C9P N2P 125.6(6) . . ?
C10P C9P C8P 123.6(6) . . ?
N2P C9P C8P 110.8(6) . . ?
C9P C10P C11P 123.7(6) . . ?
C9P C10P H10P 118.1 . . ?
C11P C10P H10P 118.1 . . ?
N3P C11P C10P 126.3(6) . . ?
N3P C11P C12P 111.1(6) . . ?
C10P C11P C12P 122.6(6) . . ?
C13P C12P C11P 105.6(6) . . ?
C13P C12P C29P 129.9(6) . . ?
C11P C12P C29P 124.4(6) . . ?
C12P C13P C14P 106.6(6) . . ?
C12P C13P C31P 128.5(6) . . ?
C14P C13P C31P 124.9(6) . . ?
N3P C14P C15P 123.6(6) . . ?
N3P C14P C13P 111.9(6) . . ?
C15P C14P C13P 124.4(6) . . ?
C16P C15P C14P 125.5(6) . . ?
C16P C15P H15P 117.3 . . ?
C14P C15P H15P 117.3 . . ?
C15P C16P N4P 125.1(6) . . ?
C15P C16P C17P 123.9(6) . . ?
N4P C16P C17P 110.9(6) . . ?
C18P C17P C16P 107.1(6) . . ?
C18P C17P C33P 128.5(6) . . ?
C16P C17P C33P 124.1(7) . . ?
C17P C18P C19P 105.8(6) . . ?
C17P C18P C35P 129.7(6) . . ?
C19P C18P C35P 124.5(6) . . ?
N4P C19P C20P 124.9(6) . . ?
N4P C19P C18P 111.7(6) . . ?
C20P C19P C18P 123.5(6) . . ?
C1P C20P C19P 124.6(6) . . ?
C1P C20P H20P 117.7 . . ?
C19P C20P H20P 117.7 . . ?
C2P C21P C22P 113.5(6) . . ?
C2P C21P H21A 108.9 . . ?
C22P C21P H21A 108.9 . . ?
C2P C21P H21B 108.9 . . ?
C22P C21P H21B 108.9 . . ?
H21A C21P H21B 107.7 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
H22A C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C3P C23P C24P 114.2(6) . . ?
C3P C23P H23A 108.7 . . ?
C24P C23P H23A 108.7 . . ?
C3P C23P H23B 108.7 . . ?
C24P C23P H23B 108.7 . . ?
H23A C23P H23B 107.6 . . ?
C23P C24P H24A 109.5 . . ?
C23P C24P H24B 109.5 . . ?
H24A C24P H24B 109.5 . . ?
C23P C24P H24C 109.5 . . ?
H24A C24P H24C 109.5 . . ?
H24B C24P H24C 109.5 . . ?
C7P C25P C26P 111.1(6) . . ?
C7P C25P H25A 109.4 . . ?
C26P C25P H25A 109.4 . . ?
C7P C25P H25B 109.4 . . ?
C26P C25P H25B 109.4 . . ?
H25A C25P H25B 108.0 . . ?
C25P C26P H26A 109.5 . . ?
C25P C26P H26B 109.5 . . ?
H26A C26P H26B 109.5 . . ?
C25P C26P H26C 109.5 . . ?
H26A C26P H26C 109.5 . . ?
H26B C26P H26C 109.5 . . ?
C8P C27P C28P 111.7(6) . . ?
C8P C27P H27A 109.3 . . ?
C28P C27P H27A 109.3 . . ?
C8P C27P H27B 109.3 . . ?
C28P C27P H27B 109.3 . . ?
H27A C27P H27B 107.9 . . ?
C27P C28P H28A 109.5 . . ?
C27P C28P H28B 109.5 . . ?
H28A C28P H28B 109.5 . . ?
C27P C28P H28C 109.5 . . ?
H28A C28P H28C 109.5 . . ?
H28B C28P H28C 109.5 . . ?
C12P C29P C30P 113.2(6) . . ?
C12P C29P H29A 108.9 . . ?
C30P C29P H29A 108.9 . . ?
C12P C29P H29B 108.9 . . ?
C30P C29P H29B 108.9 . . ?
H29A C29P H29B 107.8 . . ?
C29P C30P H30A 109.5 . . ?
C29P C30P H30B 109.5 . . ?
H30A C30P H30B 109.5 . . ?
C29P C30P H30C 109.5 . . ?
H30A C30P H30C 109.5 . . ?
H30B C30P H30C 109.5 . . ?
C13P C31P C32P 113.2(6) . . ?
C13P C31P H31A 108.9 . . ?
C32P C31P H31A 108.9 . . ?
C13P C31P H31B 108.9 . . ?
C32P C31P H31B 108.9 . . ?
H31A C31P H31B 107.7 . . ?
C31P C32P H32A 109.5 . . ?
C31P C32P H32B 109.5 . . ?
H32A C32P H32B 109.5 . . ?
C31P C32P H32C 109.5 . . ?
H32A C32P H32C 109.5 . . ?
H32B C32P H32C 109.5 . . ?
C17P C33P C34P 112.9(6) . . ?
C17P C33P H33A 109.0 . . ?
C34P C33P H33A 109.0 . . ?
C17P C33P H33B 109.0 . . ?
C34P C33P H33B 109.0 . . ?
H33A C33P H33B 107.8 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
H34A C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
C18P C35P C36P 111.5(6) . . ?
C18P C35P H35A 109.3 . . ?
C36P C35P H35A 109.3 . . ?
C18P C35P H35B 109.3 . . ?
C36P C35P H35B 109.3 . . ?
H35A C35P H35B 108.0 . . ?
C35P C36P H36A 109.5 . . ?
C35P C36P H36B 109.5 . . ?
H36A C36P H36B 109.5 . . ?
C35P C36P H36C 109.5 . . ?
H36A C36P H36C 109.5 . . ?
H36B C36P H36C 109.5 . . ?
C6S C1S C2S 121.1(9) . . ?
C6S C1S H1S 119.5 . . ?
C2S C1S H1S 119.5 . . ?
C1S C2S C3S 119.1(10) . . ?
C1S C2S H2S 120.4 . . ?
C3S C2S H2S 120.4 . . ?
C4S C3S C2S 119.8(9) . . ?
C4S C3S H3S 120.1 . . ?
C2S C3S H3S 120.1 . . ?
C5S C4S C3S 120.0(8) . . ?
C5S C4S H4S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C4S C5S C6S 120.6(9) . . ?
C4S C5S H5S 119.7 . . ?
C6S C5S H5S 119.7 . . ?
C1S C6S C5S 119.4(8) . . ?
C1S C6S H6S 120.3 . . ?
C5S C6S H6S 120.3 . . ?
C8S C7S C9S 121.6(12) . 2_655 ?
C8S C7S H7S 119.2 . . ?
C9S C7S H7S 119.2 2_655 . ?
C9S C8S C7S 117.3(13) . . ?
C9S C8S H8S 121.3 . . ?
C7S C8S H8S 121.3 . . ?
C8S C9S C7S 120.9(14) . 2_655 ?
C8S C9S H9S 119.6 . . ?
C7S C9S H9S 119.6 2_655 . ?
C12S C10S C11S 118.2(18) 2_655 . ?
C12S C10S H10S 120.9 2_655 . ?
C11S C10S H10S 120.9 . . ?
C12S C11S C10S 122.8(16) . . ?
C12S C11S H11S 118.6 . . ?
C10S C11S H11S 118.6 . . ?
C10S C12S C11S 117.7(18) 2_655 . ?
C10S C12S H12S 121.2 2_655 . ?
C11S C12S H12S 121.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5A C1A C2A C42A -148.7(8) . . . . ?
C45A C1A C2A C42A 3.0(13) . . . . ?
Gd2 C1A C2A C42A -95.4(8) . . . . ?
C5A C1A C2A C3A 2.1(10) . . . . ?
C45A C1A C2A C3A 153.8(8) . . . . ?
Gd2 C1A C2A C3A 55.3(6) . . . . ?
C5A C1A C2A Gd2 -53.3(7) . . . . ?
C45A C1A C2A Gd2 98.4(8) . . . . ?
C1A C2A C3A C68A -142.6(9) . . . . ?
C42A C2A C3A C68A 7.0(13) . . . . ?
Gd2 C2A C3A C68A -69.2(7) . . . . ?
C1A C2A C3A C4A -1.2(10) . . . . ?
C42A C2A C3A C4A 148.4(8) . . . . ?
Gd2 C2A C3A C4A 72.3(5) . . . . ?
C1A C2A C3A Gd2 -73.5(7) . . . . ?
C42A C2A C3A Gd2 76.2(8) . . . . ?
C68A C3A C4A C5A 137.5(10) . . . . ?
C2A C3A C4A C5A -0.1(10) . . . . ?
Gd2 C3A C4A C5A 84.3(7) . . . . ?
C68A C3A C4A C9A -5.9(14) . . . . ?
C2A C3A C4A C9A -143.5(8) . . . . ?
Gd2 C3A C4A C9A -59.1(7) . . . . ?
C68A C3A C4A Gd2 53.2(9) . . . . ?
C2A C3A C4A Gd2 -84.4(6) . . . . ?
C9A C4A C5A C6A -8.6(15) . . . . ?
C3A C4A C5A C6A -149.2(9) . . . . ?
Gd2 C4A C5A C6A -79.7(9) . . . . ?
C9A C4A C5A C1A 142.0(9) . . . . ?
C3A C4A C5A C1A 1.3(10) . . . . ?
Gd2 C4A C5A C1A 70.9(7) . . . . ?
C9A C4A C5A Gd2 71.1(8) . . . . ?
C3A C4A C5A Gd2 -69.6(6) . . . . ?
C2A C1A C5A C6A 148.7(9) . . . . ?
C45A C1A C5A C6A -4.6(13) . . . . ?
Gd2 C1A C5A C6A 96.0(8) . . . . ?
C2A C1A C5A C4A -2.1(11) . . . . ?
C45A C1A C5A C4A -155.3(8) . . . . ?
Gd2 C1A C5A C4A -54.8(6) . . . . ?
C2A C1A C5A Gd2 52.6(7) . . . . ?
C45A C1A C5A Gd2 -100.6(7) . . . . ?
C4A C5A C6A C7A 4.1(14) . . . . ?
C1A C5A C6A C7A -142.7(10) . . . . ?
Gd2 C5A C6A C7A -54.6(9) . . . . ?
C4A C5A C6A C67A 152.6(9) . . . . ?
C1A C5A C6A C67A 5.8(12) . . . . ?
Gd2 C5A C6A C67A 93.8(7) . . . . ?
C5A C6A C7A C66A 144.0(10) . . . . ?
C67A C6A C7A C66A -5.3(13) . . . . ?
C5A C6A C7A C8A 1.7(13) . . . . ?
C67A C6A C7A C8A -147.6(8) . . . . ?
C66A C7A C8A C13A -1.2(10) . . . . ?
C6A C7A C8A C13A 146.5(8) . . . . ?
C66A C7A C8A C9A -151.3(8) . . . . ?
C6A C7A C8A C9A -3.6(13) . . . . ?
C66A C7A C8A Gd2 -98.5(7) . . . . ?
C6A C7A C8A Gd2 49.3(8) . . . . ?
C5A C4A C9A C10A -138.3(10) . . . . ?
C3A C4A C9A C10A -0.3(12) . . . . ?
Gd2 C4A C9A C10A -57.7(8) . . . . ?
C5A C4A C9A C8A 6.3(13) . . . . ?
C3A C4A C9A C8A 144.2(8) . . . . ?
Gd2 C4A C9A C8A 86.8(7) . . . . ?
C5A C4A C9A Gd2 -80.6(9) . . . . ?
C3A C4A C9A Gd2 57.4(7) . . . . ?
C13A C8A C9A C4A -143.3(10) . . . . ?
C7A C8A C9A C4A -0.3(12) . . . . ?
Gd2 C8A C9A C4A -73.1(7) . . . . ?
C13A C8A C9A C10A 2.0(14) . . . . ?
C7A C8A C9A C10A 145.0(9) . . . . ?
Gd2 C8A C9A C10A 72.2(7) . . . . ?
C13A C8A C9A Gd2 -70.2(10) . . . . ?
C7A C8A C9A Gd2 72.8(9) . . . . ?
C4A C9A C10A C69A 3.1(15) . . . . ?
C8A C9A C10A C69A -140.9(10) . . . . ?
Gd2 C9A C10A C69A -54.9(10) . . . . ?
C4A C9A C10A C11A 139.9(9) . . . . ?
C8A C9A C10A C11A -4.2(13) . . . . ?
Gd2 C9A C10A C11A 81.8(8) . . . . ?
C4A C9A C10A Gd2 58.1(8) . . . . ?
C8A C9A C10A Gd2 -86.0(7) . . . . ?
C69A C10A C11A C80A 2.4(11) . . . . ?
C9A C10A C11A C80A -142.3(9) . . . . ?
Gd2 C10A C11A C80A -70.4(7) . . . . ?
C69A C10A C11A C12A 148.5(9) . . . . ?
C9A C10A C11A C12A 3.9(14) . . . . ?
Gd2 C10A C11A C12A 75.7(8) . . . . ?
C69A C10A C11A Gd2 72.8(7) . . . . ?
C9A C10A C11A Gd2 -71.9(8) . . . . ?
C80A C11A C12A C17A -7.9(12) . . . . ?
C10A C11A C12A C17A -151.6(9) . . . . ?
Gd2 C11A C12A C17A -96.4(7) . . . . ?
C80A C11A C12A C13A 142.7(9) . . . . ?
C10A C11A C12A C13A -1.0(13) . . . . ?
Gd2 C11A C12A C13A 54.2(8) . . . . ?
C9A C8A C13A C14A 149.8(9) . . . . ?
C7A C8A C13A C14A 1.5(11) . . . . ?
Gd2 C8A C13A C14A 97.9(8) . . . . ?
C9A C8A C13A C12A 0.9(14) . . . . ?
C7A C8A C13A C12A -147.4(9) . . . . ?
Gd2 C8A C13A C12A -51.0(9) . . . . ?
C17A C12A C13A C8A 149.0(9) . . . . ?
C11A C12A C13A C8A -1.3(13) . . . . ?
C17A C12A C13A C14A 2.5(13) . . . . ?
C11A C12A C13A C14A -147.8(9) . . . . ?
C8A C13A C14A C15A -146.5(9) . . . . ?
C12A C13A C14A C15A 1.9(14) . . . . ?
C8A C13A C14A C66A -1.2(12) . . . . ?
C12A C13A C14A C66A 147.3(9) . . . . ?
C13A C14A C15A C16A -4.4(15) . . . . ?
C66A C14A C15A C16A -144.3(10) . . . . ?
C13A C14A C15A C59A 145.1(9) . . . . ?
C66A C14A C15A C59A 5.2(13) . . . . ?
C14A C15A C16A C20A 145.1(10) . . . . ?
C59A C15A C16A C20A -5.9(13) . . . . ?
C14A C15A C16A C17A 2.1(14) . . . . ?
C59A C15A C16A C17A -148.9(9) . . . . ?
C13A C12A C17A C18A -145.1(9) . . . . ?
C11A C12A C17A C18A 5.7(13) . . . . ?
C13A C12A C17A C16A -4.7(13) . . . . ?
C11A C12A C17A C16A 146.1(9) . . . . ?
C15A C16A C17A C18A 148.1(9) . . . . ?
C20A C16A C17A C18A -2.3(9) . . . . ?
C15A C16A C17A C12A 2.5(14) . . . . ?
C20A C16A C17A C12A -147.9(9) . . . . ?
C12A C17A C18A C79A -0.3(14) . . . . ?
C16A C17A C18A C79A -145.0(9) . . . . ?
C12A C17A C18A C19A 146.4(9) . . . . ?
C16A C17A C18A C19A 1.7(10) . . . . ?
C17A C18A C19A C20A -0.4(10) . . . . ?
C79A C18A C19A C20A 146.9(8) . . . . ?
C17A C18A C19A C24A -150.9(9) . . . . ?
C79A C18A C19A C24A -3.6(14) . . . . ?
C17A C18A C19A Dy1 -95.5(7) . . . . ?
C79A C18A C19A Dy1 51.8(9) . . . . ?
C15A C16A C20A C21A 0.7(14) . . . . ?
C17A C16A C20A C21A 147.3(8) . . . . ?
C15A C16A C20A C19A -144.5(9) . . . . ?
C17A C16A C20A C19A 2.1(9) . . . . ?
C18A C19A C20A C21A -146.1(9) . . . . ?
C24A C19A C20A C21A 6.9(12) . . . . ?
Dy1 C19A C20A C21A -47.5(8) . . . . ?
C18A C19A C20A C16A -1.1(10) . . . . ?
C24A C19A C20A C16A 151.9(8) . . . . ?
Dy1 C19A C20A C16A 97.5(7) . . . . ?
C16A C20A C21A C22A -145.2(9) . . . . ?
C19A C20A C21A C22A -3.9(13) . . . . ?
C16A C20A C21A C58A 3.6(12) . . . . ?
C19A C20A C21A C58A 144.9(8) . . . . ?
C20A C21A C22A C23A -2.3(14) . . . . ?
C58A C21A C22A C23A -149.9(10) . . . . ?
C20A C21A C22A C55A 143.5(9) . . . . ?
C58A C21A C22A C55A -4.1(12) . . . . ?
C20A C21A C22A Dy1 56.5(9) . . . . ?
C58A C21A C22A Dy1 -91.1(8) . . . . ?
C21A C22A C23A C24A 5.3(15) . . . . ?
C55A C22A C23A C24A -142.5(9) . . . . ?
Dy1 C22A C23A C24A -71.4(8) . . . . ?
C21A C22A C23A C28A 147.1(10) . . . . ?
C55A C22A C23A C28A -0.8(11) . . . . ?
Dy1 C22A C23A C28A 70.3(6) . . . . ?
C21A C22A C23A Dy1 76.7(10) . . . . ?
C55A C22A C23A Dy1 -71.1(7) . . . . ?
C22A C23A C24A C25A 139.8(10) . . . . ?
C28A C23A C24A C25A 3.8(13) . . . . ?
Dy1 C23A C24A C25A 60.5(8) . . . . ?
C22A C23A C24A C19A -2.0(13) . . . . ?
C28A C23A C24A C19A -138.0(10) . . . . ?
Dy1 C23A C24A C19A -81.3(7) . . . . ?
C22A C23A C24A Dy1 79.3(8) . . . . ?
C28A C23A C24A Dy1 -56.7(8) . . . . ?
C18A C19A C24A C23A 143.3(9) . . . . ?
C20A C19A C24A C23A -3.8(12) . . . . ?
Dy1 C19A C24A C23A 69.4(7) . . . . ?
C18A C19A C24A C25A 0.1(14) . . . . ?
C20A C19A C24A C25A -147.0(9) . . . . ?
Dy1 C19A C24A C25A -73.9(7) . . . . ?
C18A C19A C24A Dy1 74.0(9) . . . . ?
C20A C19A C24A Dy1 -73.2(8) . . . . ?
C23A C24A C25A C26A -4.0(15) . . . . ?
C19A C24A C25A C26A 139.2(11) . . . . ?
Dy1 C24A C25A C26A 54.6(9) . . . . ?
C23A C24A C25A C78A -140.1(10) . . . . ?
C19A C24A C25A C78A 3.1(13) . . . . ?
Dy1 C24A C25A C78A -81.5(8) . . . . ?
C23A C24A C25A Dy1 -58.6(7) . . . . ?
C19A C24A C25A Dy1 84.6(7) . . . . ?
C78A C25A C26A C76A -1.4(11) . . . . ?
C24A C25A C26A C76A -141.6(10) . . . . ?
Dy1 C25A C26A C76A -87.9(6) . . . . ?
C78A C25A C26A C27A 140.7(9) . . . . ?
C24A C25A C26A C27A 0.5(15) . . . . ?
Dy1 C25A C26A C27A 54.2(8) . . . . ?
C78A C25A C26A Dy1 86.5(7) . . . . ?
C24A C25A C26A Dy1 -53.7(9) . . . . ?
C25A C26A C27A C28A 3.4(13) . . . . ?
C76A C26A C27A C28A 142.9(9) . . . . ?
Dy1 C26A C27A C28A 59.3(7) . . . . ?
C25A C26A C27A C32A -142.5(10) . . . . ?
C76A C26A C27A C32A -3.0(12) . . . . ?
Dy1 C26A C27A C32A -86.6(7) . . . . ?
C25A C26A C27A Dy1 -55.9(9) . . . . ?
C76A C26A C27A Dy1 83.6(7) . . . . ?
C32A C27A C28A C29A 3.6(14) . . . . ?
C26A C27A C28A C29A -139.9(10) . . . . ?
Dy1 C27A C28A C29A -79.6(9) . . . . ?
C32A C27A C28A C23A 139.9(10) . . . . ?
C26A C27A C28A C23A -3.5(13) . . . . ?
Dy1 C27A C28A C23A 56.8(8) . . . . ?
C32A C27A C28A Dy1 83.2(8) . . . . ?
C26A C27A C28A Dy1 -60.3(7) . . . . ?
C22A C23A C28A C29A 0.4(11) . . . . ?
C24A C23A C28A C29A 141.0(9) . . . . ?
Dy1 C23A C28A C29A 82.9(7) . . . . ?
C22A C23A C28A C27A -140.6(9) . . . . ?
C24A C23A C28A C27A 0.1(14) . . . . ?
Dy1 C23A C28A C27A -58.0(8) . . . . ?
C22A C23A C28A Dy1 -82.6(7) . . . . ?
C24A C23A C28A Dy1 58.1(8) . . . . ?
C27A C28A C29A C55A 142.0(9) . . . . ?
C23A C28A C29A C55A 0.3(11) . . . . ?
Dy1 C28A C29A C55A 70.7(8) . . . . ?
C27A C28A C29A C30A -4.9(15) . . . . ?
C23A C28A C29A C30A -146.6(9) . . . . ?
Dy1 C28A C29A C30A -76.2(9) . . . . ?
C27A C28A C29A Dy1 71.3(8) . . . . ?
C23A C28A C29A Dy1 -70.4(6) . . . . ?
C28A C29A C30A C31A 1.5(14) . . . . ?
C55A C29A C30A C31A -144.8(9) . . . . ?
Dy1 C29A C30A C31A -57.0(9) . . . . ?
C28A C29A C30A C54A 150.3(9) . . . . ?
C55A C29A C30A C54A 3.9(12) . . . . ?
Dy1 C29A C30A C54A 91.7(8) . . . . ?
C29A C30A C31A C35A 145.7(10) . . . . ?
C54A C30A C31A C35A -3.3(14) . . . . ?
C29A C30A C31A C32A 3.0(13) . . . . ?
C54A C30A C31A C32A -146.0(8) . . . . ?
C28A C27A C32A C33A -143.0(10) . . . . ?
C26A C27A C32A C33A 1.1(14) . . . . ?
Dy1 C27A C32A C33A -72.3(10) . . . . ?
C28A C27A C32A C31A 0.8(13) . . . . ?
C26A C27A C32A C31A 145.0(9) . . . . ?
Dy1 C27A C32A C31A 71.5(8) . . . . ?
C28A C27A C32A Dy1 -70.7(8) . . . . ?
C26A C27A C32A Dy1 73.5(7) . . . . ?
C35A C31A C32A C33A -1.0(11) . . . . ?
C30A C31A C32A C33A 147.0(9) . . . . ?
C35A C31A C32A C27A -152.2(9) . . . . ?
C30A C31A C32A C27A -4.1(13) . . . . ?
C35A C31A C32A Dy1 -99.5(7) . . . . ?
C30A C31A C32A Dy1 48.6(8) . . . . ?
C27A C32A C33A C75A 1.4(15) . . . . ?
C31A C32A C33A C75A -146.7(9) . . . . ?
Dy1 C32A C33A C75A -52.3(10) . . . . ?
C27A C32A C33A C34A 148.6(9) . . . . ?
C31A C32A C33A C34A 0.6(11) . . . . ?
Dy1 C32A C33A C34A 94.9(8) . . . . ?
C32A C33A C34A C39A -145.1(10) . . . . ?
C75A C33A C34A C39A 2.6(15) . . . . ?
C32A C33A C34A C35A 0.0(11) . . . . ?
C75A C33A C34A C35A 147.7(9) . . . . ?
C30A C31A C35A C36A 1.8(15) . . . . ?
C32A C31A C35A C36A 147.3(9) . . . . ?
C30A C31A C35A C34A -144.4(10) . . . . ?
C32A C31A C35A C34A 1.1(11) . . . . ?
C39A C34A C35A C31A 147.4(9) . . . . ?
C33A C34A C35A C31A -0.7(11) . . . . ?
C39A C34A C35A C36A 1.8(14) . . . . ?
C33A C34A C35A C36A -146.4(9) . . . . ?
C31A C35A C36A C37A -147.4(10) . . . . ?
C34A C35A C36A C37A -5.4(13) . . . . ?
C31A C35A C36A C50A 1.9(14) . . . . ?
C34A C35A C36A C50A 143.9(10) . . . . ?
C50A C36A C37A C49A -4.1(12) . . . . ?
C35A C36A C37A C49A 147.3(9) . . . . ?
C50A C36A C37A C38A -145.8(8) . . . . ?
C35A C36A C37A C38A 5.6(13) . . . . ?
C36A C37A C38A C39A -2.2(13) . . . . ?
C49A C37A C38A C39A -148.4(9) . . . . ?
C36A C37A C38A C43A 144.7(9) . . . . ?
C49A C37A C38A C43A -1.5(9) . . . . ?
C43A C38A C39A C34A -142.6(10) . . . . ?
C37A C38A C39A C34A -1.6(14) . . . . ?
C43A C38A C39A C40A 6.8(14) . . . . ?
C37A C38A C39A C40A 147.7(9) . . . . ?
C33A C34A C39A C38A 143.1(10) . . . . ?
C35A C34A C39A C38A 1.8(14) . . . . ?
C33A C34A C39A C40A -6.2(14) . . . . ?
C35A C34A C39A C40A -147.4(9) . . . . ?
C38A C39A C40A C74A -147.6(9) . . . . ?
C34A C39A C40A C74A 4.3(13) . . . . ?
C38A C39A C40A C41A -6.2(13) . . . . ?
C34A C39A C40A C41A 145.7(9) . . . . ?
C74A C40A C41A C42A 145.7(8) . . . . ?
C39A C40A C41A C42A 1.2(13) . . . . ?
C74A C40A C41A C73A -1.5(10) . . . . ?
C39A C40A C41A C73A -146.0(9) . . . . ?
C1A C2A C42A C43A -4.5(13) . . . . ?
C3A C2A C42A C43A -151.2(8) . . . . ?
Gd2 C2A C42A C43A -94.4(8) . . . . ?
C1A C2A C42A C41A 143.5(9) . . . . ?
C3A C2A C42A C41A -3.2(12) . . . . ?
Gd2 C2A C42A C41A 53.6(8) . . . . ?
C40A C41A C42A C2A -145.9(9) . . . . ?
C73A C41A C42A C2A -2.5(12) . . . . ?
C40A C41A C42A C43A 3.4(11) . . . . ?
C73A C41A C42A C43A 146.9(8) . . . . ?
C2A C42A C43A C38A 145.2(9) . . . . ?
C41A C42A C43A C38A -3.0(11) . . . . ?
C2A C42A C43A C44A 2.3(12) . . . . ?
C41A C42A C43A C44A -145.9(8) . . . . ?
C39A C38A C43A C42A -2.4(14) . . . . ?
C37A C38A C43A C42A -146.7(8) . . . . ?
C39A C38A C43A C44A 145.0(9) . . . . ?
C37A C38A C43A C44A 0.7(9) . . . . ?
C42A C43A C44A C49A 148.1(8) . . . . ?
C38A C43A C44A C49A 0.4(9) . . . . ?
C42A C43A C44A C45A 1.3(12) . . . . ?
C38A C43A C44A C45A -146.4(7) . . . . ?
C43A C44A C45A C46A 149.8(8) . . . . ?
C49A C44A C45A C46A 6.0(11) . . . . ?
C43A C44A C45A C1A -2.6(10) . . . . ?
C49A C44A C45A C1A -146.4(8) . . . . ?
C2A C1A C45A C46A -150.1(9) . . . . ?
C5A C1A C45A C46A -0.7(12) . . . . ?
Gd2 C1A C45A C46A -75.6(9) . . . . ?
C2A C1A C45A C44A 0.6(12) . . . . ?
C5A C1A C45A C44A 150.0(8) . . . . ?
Gd2 C1A C45A C44A 75.0(8) . . . . ?
C44A C45A C46A C47A -1.2(13) . . . . ?
C1A C45A C46A C47A 149.2(9) . . . . ?
C44A C45A C46A C67A -146.4(8) . . . . ?
C1A C45A C46A C67A 4.0(12) . . . . ?
C44A C45A C46A Gd1 -59.2(7) . . . . ?
C1A C45A C46A Gd1 91.3(8) . . . . ?
C67A C46A C47A C48A 141.6(9) . . . . ?
C45A C46A C47A C48A -5.0(14) . . . . ?
Gd1 C46A C47A C48A 69.3(7) . . . . ?
C67A C46A C47A C63A 0.7(10) . . . . ?
C45A C46A C47A C63A -145.9(8) . . . . ?
Gd1 C46A C47A C63A -71.5(5) . . . . ?
C67A C46A C47A Gd1 72.2(7) . . . . ?
C45A C46A C47A Gd1 -74.4(9) . . . . ?
C46A C47A C48A C51A -138.0(9) . . . . ?
C63A C47A C48A C51A -2.3(12) . . . . ?
Gd1 C47A C48A C51A -60.8(8) . . . . ?
C46A C47A C48A C49A 6.2(12) . . . . ?
C63A C47A C48A C49A 141.9(8) . . . . ?
Gd1 C47A C48A C49A 83.4(7) . . . . ?
C46A C47A C48A Gd1 -77.2(8) . . . . ?
C63A C47A C48A Gd1 58.4(7) . . . . ?
C36A C37A C49A C48A 4.7(14) . . . . ?
C38A C37A C49A C48A 150.8(8) . . . . ?
C36A C37A C49A C44A -144.5(8) . . . . ?
C38A C37A C49A C44A 1.7(9) . . . . ?
C36A C37A C49A Gd1 -50.7(9) . . . . ?
C38A C37A C49A Gd1 95.5(6) . . . . ?
C51A C48A C49A C37A -0.3(13) . . . . ?
C47A C48A C49A C37A -146.0(9) . . . . ?
Gd1 C48A C49A C37A -75.8(9) . . . . ?
C51A C48A C49A C44A 144.3(9) . . . . ?
C47A C48A C49A C44A -1.4(13) . . . . ?
Gd1 C48A C49A C44A 68.9(9) . . . . ?
C51A C48A C49A Gd1 75.5(7) . . . . ?
C47A C48A C49A Gd1 -70.2(6) . . . . ?
C43A C44A C49A C37A -1.3(9) . . . . ?
C45A C44A C49A C37A 145.1(8) . . . . ?
C43A C44A C49A C48A -151.2(8) . . . . ?
C45A C44A C49A C48A -4.8(13) . . . . ?
C43A C44A C49A Gd1 -99.4(6) . . . . ?
C45A C44A C49A Gd1 46.9(8) . . . . ?
C37A C36A C50A C51A -0.5(12) . . . . ?
C35A C36A C50A C51A -150.7(9) . . . . ?
C37A C36A C50A C54A 146.5(8) . . . . ?
C35A C36A C50A C54A -3.6(12) . . . . ?
C37A C36A C50A Gd1 55.0(7) . . . . ?
C35A C36A C50A Gd1 -95.2(8) . . . . ?
C36A C50A C51A C48A 4.8(14) . . . . ?
C54A C50A C51A C48A -144.4(9) . . . . ?
Gd1 C50A C51A C48A -69.6(8) . . . . ?
C36A C50A C51A C52A 147.7(8) . . . . ?
C54A C50A C51A C52A -1.6(10) . . . . ?
Gd1 C50A C51A C52A 73.3(6) . . . . ?
C36A C50A C51A Gd1 74.4(9) . . . . ?
C54A C50A C51A Gd1 -74.9(7) . . . . ?
C49A C48A C51A C50A -4.2(13) . . . . ?
C47A C48A C51A C50A 140.7(9) . . . . ?
Gd1 C48A C51A C50A 82.2(8) . . . . ?
C49A C48A C51A C52A -140.6(9) . . . . ?
C47A C48A C51A C52A 4.2(13) . . . . ?
Gd1 C48A C51A C52A -54.2(8) . . . . ?
C49A C48A C51A Gd1 -86.4(7) . . . . ?
C47A C48A C51A Gd1 58.5(7) . . . . ?
C50A C51A C52A C53A 0.1(10) . . . . ?
C48A C51A C52A C53A 142.0(9) . . . . ?
Gd1 C51A C52A C53A 88.8(6) . . . . ?
C50A C51A C52A C62A -144.2(8) . . . . ?
C48A C51A C52A C62A -2.3(13) . . . . ?
Gd1 C51A C52A C62A -55.6(7) . . . . ?
C50A C51A C52A Gd1 -88.7(6) . . . . ?
C48A C51A C52A Gd1 53.2(8) . . . . ?
C62A C52A C53A C54A 142.0(10) . . . . ?
C51A C52A C53A C54A 1.5(10) . . . . ?
Gd1 C52A C53A C54A 73.0(8) . . . . ?
C62A C52A C53A C56A -7.9(14) . . . . ?
C51A C52A C53A C56A -148.4(8) . . . . ?
Gd1 C52A C53A C56A -76.9(8) . . . . ?
C62A C52A C53A Gd1 69.0(8) . . . . ?
C51A C52A C53A Gd1 -71.5(6) . . . . ?
C52A C53A C54A C50A -2.5(10) . . . . ?
C56A C53A C54A C50A 147.6(8) . . . . ?
Gd1 C53A C54A C50A 51.7(7) . . . . ?
C52A C53A C54A C30A -152.5(9) . . . . ?
C56A C53A C54A C30A -2.4(14) . . . . ?
Gd1 C53A C54A C30A -98.3(9) . . . . ?
C51A C50A C54A C53A 2.6(10) . . . . ?
C36A C50A C54A C53A -149.4(8) . . . . ?
Gd1 C50A C54A C53A -52.6(7) . . . . ?
C51A C50A C54A C30A 153.9(8) . . . . ?
C36A C50A C54A C30A 2.0(12) . . . . ?
Gd1 C50A C54A C30A 98.8(8) . . . . ?
C31A C30A C54A C53A 147.8(10) . . . . ?
C29A C30A C54A C53A -2.0(13) . . . . ?
C31A C30A C54A C50A 1.3(12) . . . . ?
C29A C30A C54A C50A -148.5(9) . . . . ?
C28A C29A C55A C56A -151.7(10) . . . . ?
C30A C29A C55A C56A -1.9(14) . . . . ?
Dy1 C29A C55A C56A -95.8(9) . . . . ?
C28A C29A C55A C22A -0.7(10) . . . . ?
C30A C29A C55A C22A 149.0(8) . . . . ?
Dy1 C29A C55A C22A 55.1(6) . . . . ?
C28A C29A C55A Dy1 -55.9(7) . . . . ?
C30A C29A C55A Dy1 93.9(7) . . . . ?
C21A C22A C55A C56A 3.1(13) . . . . ?
C23A C22A C55A C56A 153.8(9) . . . . ?
Dy1 C22A C55A C56A 97.7(8) . . . . ?
C21A C22A C55A C29A -149.7(8) . . . . ?
C23A C22A C55A C29A 1.0(10) . . . . ?
Dy1 C22A C55A C29A -55.2(6) . . . . ?
C21A C22A C55A Dy1 -94.5(8) . . . . ?
C23A C22A C55A Dy1 56.1(6) . . . . ?
C29A C55A C56A C57A 146.4(10) . . . . ?
C22A C55A C56A C57A 0.5(13) . . . . ?
Dy1 C55A C56A C57A 73.1(10) . . . . ?
C29A C55A C56A C53A -2.3(14) . . . . ?
C22A C55A C56A C53A -148.3(9) . . . . ?
Dy1 C55A C56A C53A -75.7(9) . . . . ?
C54A C53A C56A C57A -144.8(9) . . . . ?
C52A C53A C56A C57A 2.9(13) . . . . ?
Gd1 C53A C56A C57A -53.2(9) . . . . ?
C54A C53A C56A C55A 4.4(13) . . . . ?
C52A C53A C56A C55A 152.1(9) . . . . ?
Gd1 C53A C56A C55A 96.0(8) . . . . ?
C55A C56A C57A C58A -2.8(14) . . . . ?
C53A C56A C57A C58A 145.5(9) . . . . ?
C55A C56A C57A C61A -144.7(9) . . . . ?
C53A C56A C57A C61A 3.6(13) . . . . ?
C22A C21A C58A C59A 146.2(9) . . . . ?
C20A C21A C58A C59A -2.3(12) . . . . ?
C22A C21A C58A C57A 2.0(13) . . . . ?
C20A C21A C58A C57A -146.5(9) . . . . ?
C56A C57A C58A C59A -146.8(9) . . . . ?
C61A C57A C58A C59A 0.6(10) . . . . ?
C56A C57A C58A C21A 1.7(14) . . . . ?
C61A C57A C58A C21A 149.1(8) . . . . ?
C21A C58A C59A C60A -147.6(8) . . . . ?
C57A C58A C59A C60A 0.5(10) . . . . ?
C21A C58A C59A C15A -3.2(13) . . . . ?
C57A C58A C59A C15A 145.0(8) . . . . ?
C16A C15A C59A C60A 147.9(9) . . . . ?
C14A C15A C59A C60A -4.7(13) . . . . ?
C16A C15A C59A C58A 7.0(12) . . . . ?
C14A C15A C59A C58A -145.7(9) . . . . ?
C58A C59A C60A C61A -1.6(10) . . . . ?
C15A C59A C60A C61A -147.4(8) . . . . ?
C58A C59A C60A C65A 146.7(8) . . . . ?
C15A C59A C60A C65A 0.9(13) . . . . ?
C59A C60A C61A C62A 150.1(9) . . . . ?
C65A C60A C61A C62A 0.3(13) . . . . ?
C59A C60A C61A C57A 1.9(9) . . . . ?
C65A C60A C61A C57A -147.9(8) . . . . ?
C59A C60A C61A Gd1 98.6(7) . . . . ?
C65A C60A C61A Gd1 -51.2(8) . . . . ?
C56A C57A C61A C60A 144.9(9) . . . . ?
C58A C57A C61A C60A -1.5(9) . . . . ?
C56A C57A C61A C62A -5.7(13) . . . . ?
C58A C57A C61A C62A -152.1(8) . . . . ?
C56A C57A C61A Gd1 49.4(9) . . . . ?
C58A C57A C61A Gd1 -97.1(6) . . . . ?
C53A C52A C62A C63A -138.0(10) . . . . ?
C51A C52A C62A C63A -1.7(13) . . . . ?
Gd1 C52A C62A C63A -57.5(8) . . . . ?
C53A C52A C62A C61A 5.5(13) . . . . ?
C51A C52A C62A C61A 141.8(9) . . . . ?
Gd1 C52A C62A C61A 86.1(7) . . . . ?
C53A C52A C62A Gd1 -80.6(9) . . . . ?
C51A C52A C62A Gd1 55.8(7) . . . . ?
C60A C61A C62A C63A 3.5(13) . . . . ?
C57A C61A C62A C63A 147.7(8) . . . . ?
Gd1 C61A C62A C63A 71.7(7) . . . . ?
C60A C61A C62A C52A -143.2(9) . . . . ?
C57A C61A C62A C52A 1.0(12) . . . . ?
Gd1 C61A C62A C52A -75.0(7) . . . . ?
C60A C61A C62A Gd1 -68.2(9) . . . . ?
C57A C61A C62A Gd1 76.1(8) . . . . ?
C52A C62A C63A C64A 135.6(10) . . . . ?
C61A C62A C63A C64A -7.6(12) . . . . ?
Gd1 C62A C63A C64A 76.7(7) . . . . ?
C52A C62A C63A C47A 3.5(13) . . . . ?
C61A C62A C63A C47A -139.7(8) . . . . ?
Gd1 C62A C63A C47A -55.3(7) . . . . ?
C52A C62A C63A Gd1 58.9(8) . . . . ?
C61A C62A C63A Gd1 -84.3(7) . . . . ?
C46A C47A C63A C62A 139.8(9) . . . . ?
C48A C47A C63A C62A -1.5(12) . . . . ?
Gd1 C47A C63A C62A 57.2(7) . . . . ?
C46A C47A C63A C64A 1.1(9) . . . . ?
C48A C47A C63A C64A -140.3(8) . . . . ?
Gd1 C47A C63A C64A -81.5(6) . . . . ?
C46A C47A C63A Gd1 82.6(6) . . . . ?
C48A C47A C63A Gd1 -58.7(7) . . . . ?
C62A C63A C64A C67A -140.3(9) . . . . ?
C47A C63A C64A C67A -2.4(9) . . . . ?
Gd1 C63A C64A C67A -70.9(6) . . . . ?
C62A C63A C64A C65A 8.8(13) . . . . ?
C47A C63A C64A C65A 146.8(8) . . . . ?
Gd1 C63A C64A C65A 78.2(8) . . . . ?
C62A C63A C64A Gd1 -69.4(7) . . . . ?
C47A C63A C64A Gd1 68.5(5) . . . . ?
C67A C64A C65A C66A -5.3(13) . . . . ?
C63A C64A C65A C66A -151.0(9) . . . . ?
Gd1 C64A C65A C66A -91.5(9) . . . . ?
C67A C64A C65A C60A 141.1(9) . . . . ?
C63A C64A C65A C60A -4.6(12) . . . . ?
Gd1 C64A C65A C60A 54.9(8) . . . . ?
C61A C60A C65A C66A 148.6(9) . . . . ?
C59A C60A C65A C66A 2.6(13) . . . . ?
C61A C60A C65A C64A 0.2(12) . . . . ?
C59A C60A C65A C64A -145.9(9) . . . . ?
C64A C65A C66A C7A 1.9(14) . . . . ?
C60A C65A C66A C7A -144.9(9) . . . . ?
C64A C65A C66A C14A 144.5(10) . . . . ?
C60A C65A C66A C14A -2.3(13) . . . . ?
C6A C7A C66A C65A 3.7(15) . . . . ?
C8A C7A C66A C65A 148.3(9) . . . . ?
C6A C7A C66A C14A -144.0(9) . . . . ?
C8A C7A C66A C14A 0.6(11) . . . . ?
C15A C14A C66A C65A -1.6(15) . . . . ?
C13A C14A C66A C65A -146.1(10) . . . . ?
C15A C14A C66A C7A 144.8(9) . . . . ?
C13A C14A C66A C7A 0.3(11) . . . . ?
C47A C46A C67A C64A -2.3(11) . . . . ?
C45A C46A C67A C64A 147.1(8) . . . . ?
Gd1 C46A C67A C64A 54.7(7) . . . . ?
C47A C46A C67A C6A -152.1(8) . . . . ?
C45A C46A C67A C6A -2.7(12) . . . . ?
Gd1 C46A C67A C6A -95.1(8) . . . . ?
C47A C46A C67A Gd1 -57.0(6) . . . . ?
C45A C46A C67A Gd1 92.4(7) . . . . ?
C65A C64A C67A C46A -147.5(8) . . . . ?
C63A C64A C67A C46A 2.9(10) . . . . ?
Gd1 C64A C67A C46A -53.3(7) . . . . ?
C65A C64A C67A C6A 3.4(12) . . . . ?
C63A C64A C67A C6A 153.8(7) . . . . ?
Gd1 C64A C67A C6A 97.6(7) . . . . ?
C65A C64A C67A Gd1 -94.2(8) . . . . ?
C63A C64A C67A Gd1 56.3(5) . . . . ?
C5A C6A C67A C46A -2.1(12) . . . . ?
C7A C6A C67A C46A 148.4(9) . . . . ?
C5A C6A C67A C64A -148.8(8) . . . . ?
C7A C6A C67A C64A 1.7(11) . . . . ?
C5A C6A C67A Gd1 -74.3(8) . . . . ?
C7A C6A C67A Gd1 76.2(8) . . . . ?
C2A C3A C68A C73A -4.7(13) . . . . ?
C4A C3A C68A C73A -136.5(10) . . . . ?
Gd2 C3A C68A C73A -83.1(8) . . . . ?
C2A C3A C68A C69A 140.4(9) . . . . ?
C4A C3A C68A C69A 8.5(14) . . . . ?
Gd2 C3A C68A C69A 62.0(7) . . . . ?
C2A C3A C68A Gd2 78.4(7) . . . . ?
C4A C3A C68A Gd2 -53.4(9) . . . . ?
C9A C10A C69A C70A 138.9(10) . . . . ?
C11A C10A C69A C70A -2.9(11) . . . . ?
Gd2 C10A C69A C70A 83.7(7) . . . . ?
C9A C10A C69A C68A -0.2(16) . . . . ?
C11A C10A C69A C68A -142.1(9) . . . . ?
Gd2 C10A C69A C68A -55.5(8) . . . . ?
C9A C10A C69A Gd2 55.2(9) . . . . ?
C11A C10A C69A Gd2 -86.6(6) . . . . ?
C73A C68A C69A C10A 140.6(10) . . . . ?
C3A C68A C69A C10A -5.4(13) . . . . ?
Gd2 C68A C69A C10A 56.5(9) . . . . ?
C73A C68A C69A C70A 3.1(13) . . . . ?
C3A C68A C69A C70A -142.8(9) . . . . ?
Gd2 C68A C69A C70A -80.9(8) . . . . ?
C73A C68A C69A Gd2 84.1(7) . . . . ?
C3A C68A C69A Gd2 -61.9(7) . . . . ?
C10A C69A C70A C71A -140.8(11) . . . . ?
C68A C69A C70A C71A -0.3(15) . . . . ?
Gd2 C69A C70A C71A -69.0(11) . . . . ?
C10A C69A C70A C80A 2.4(11) . . . . ?
C68A C69A C70A C80A 142.9(8) . . . . ?
Gd2 C69A C70A C80A 74.2(6) . . . . ?
C10A C69A C70A Gd2 -71.8(7) . . . . ?
C68A C69A C70A Gd2 68.7(7) . . . . ?
C69A C70A C71A C77A 146.3(11) . . . . ?
C80A C70A C71A C77A 5.5(13) . . . . ?
Gd2 C70A C71A C77A 92.7(9) . . . . ?
C69A C70A C71A C72A -4.3(14) . . . . ?
C80A C70A C71A C72A -145.1(8) . . . . ?
Gd2 C70A C71A C72A -57.8(8) . . . . ?
C70A C71A C72A C74A 147.6(9) . . . . ?
C77A C71A C72A C74A -5.8(13) . . . . ?
C70A C71A C72A C73A 5.7(11) . . . . ?
C77A C71A C72A C73A -147.7(8) . . . . ?
C3A C68A C73A C41A -0.8(13) . . . . ?
C69A C68A C73A C41A -145.5(9) . . . . ?
Gd2 C68A C73A C41A -72.9(9) . . . . ?
C3A C68A C73A C72A 143.4(9) . . . . ?
C69A C68A C73A C72A -1.4(13) . . . . ?
Gd2 C68A C73A C72A 71.2(9) . . . . ?
C3A C68A C73A Gd2 72.1(8) . . . . ?
C69A C68A C73A Gd2 -72.6(7) . . . . ?
C40A C41A C73A C68A 152.3(9) . . . . ?
C42A C41A C73A C68A 4.7(13) . . . . ?
C40A C41A C73A C72A 1.7(9) . . . . ?
C42A C41A C73A C72A -145.9(8) . . . . ?
C40A C41A C73A Gd2 97.6(7) . . . . ?
C42A C41A C73A Gd2 -49.9(9) . . . . ?
C74A C72A C73A C68A -150.8(9) . . . . ?
C71A C72A C73A C68A -3.2(13) . . . . ?
C74A C72A C73A C41A -1.3(9) . . . . ?
C71A C72A C73A C41A 146.3(8) . . . . ?
C74A C72A C73A Gd2 -96.8(6) . . . . ?
C71A C72A C73A Gd2 50.7(8) . . . . ?
C41A C40A C74A C72A 0.6(10) . . . . ?
C39A C40A C74A C72A 145.9(8) . . . . ?
C41A C40A C74A C75A -144.6(9) . . . . ?
C39A C40A C74A C75A 0.7(14) . . . . ?
C71A C72A C74A C40A -144.2(9) . . . . ?
C73A C72A C74A C40A 0.5(10) . . . . ?
C71A C72A C74A C75A 3.1(13) . . . . ?
C73A C72A C74A C75A 147.7(8) . . . . ?
C32A C33A C75A C76A -1.8(14) . . . . ?
C34A C33A C75A C76A -146.7(9) . . . . ?
C32A C33A C75A C74A 147.7(9) . . . . ?
C34A C33A C75A C74A 2.8(14) . . . . ?
C40A C74A C75A C33A -4.5(14) . . . . ?
C72A C74A C75A C33A -146.7(9) . . . . ?
C40A C74A C75A C76A 145.2(9) . . . . ?
C72A C74A C75A C76A 3.0(12) . . . . ?
C33A C75A C76A C77A 143.3(9) . . . . ?
C74A C75A C76A C77A -6.1(12) . . . . ?
C33A C75A C76A C26A -0.3(14) . . . . ?
C74A C75A C76A C26A -149.7(9) . . . . ?
C33A C75A C76A Dy1 53.1(9) . . . . ?
C74A C75A C76A Dy1 -96.3(8) . . . . ?
C25A C26A C76A C75A 147.6(9) . . . . ?
C27A C26A C76A C75A 2.7(13) . . . . ?
Dy1 C26A C76A C75A 72.8(9) . . . . ?
C25A C26A C76A C77A 0.0(10) . . . . ?
C27A C26A C76A C77A -144.9(8) . . . . ?
Dy1 C26A C76A C77A -74.8(7) . . . . ?
C25A C26A C76A Dy1 74.8(7) . . . . ?
C27A C26A C76A Dy1 -70.1(7) . . . . ?
C70A C71A C77A C76A -148.1(10) . . . . ?
C72A C71A C77A C76A 2.5(13) . . . . ?
C70A C71A C77A C78A -1.9(15) . . . . ?
C72A C71A C77A C78A 148.7(9) . . . . ?
C75A C76A C77A C71A 3.4(14) . . . . ?
C26A C76A C77A C71A 152.2(9) . . . . ?
Dy1 C76A C77A C71A 98.3(9) . . . . ?
C75A C76A C77A C78A -147.5(9) . . . . ?
C26A C76A C77A C78A 1.3(9) . . . . ?
Dy1 C76A C77A C78A -52.6(6) . . . . ?
C26A C25A C78A C79A -144.8(9) . . . . ?
C24A C25A C78A C79A -3.2(14) . . . . ?
Dy1 C25A C78A C79A -72.4(9) . . . . ?
C26A C25A C78A C77A 2.2(11) . . . . ?
C24A C25A C78A C77A 143.8(9) . . . . ?
Dy1 C25A C78A C77A 74.6(7) . . . . ?
C26A C25A C78A Dy1 -72.4(7) . . . . ?
C24A C25A C78A Dy1 69.2(8) . . . . ?
C71A C77A C78A C25A -153.7(9) . . . . ?
C76A C77A C78A C25A -2.2(10) . . . . ?
C71A C77A C78A C79A -2.7(13) . . . . ?
C76A C77A C78A C79A 148.7(8) . . . . ?
C71A C77A C78A Dy1 -98.1(9) . . . . ?
C76A C77A C78A Dy1 53.3(7) . . . . ?
C17A C18A C79A C80A -3.0(13) . . . . ?
C19A C18A C79A C80A -147.1(9) . . . . ?
C17A C18A C79A C78A 147.6(9) . . . . ?
C19A C18A C79A C78A 3.4(12) . . . . ?
C25A C78A C79A C80A 148.9(9) . . . . ?
C77A C78A C79A C80A 3.2(12) . . . . ?
Dy1 C78A C79A C80A 93.9(8) . . . . ?
C25A C78A C79A C18A -0.2(13) . . . . ?
C77A C78A C79A C18A -145.9(9) . . . . ?
Dy1 C78A C79A C18A -55.2(8) . . . . ?
C12A C11A C80A C79A 5.0(13) . . . . ?
C10A C11A C80A C79A 151.9(9) . . . . ?
Gd2 C11A C80A C79A 99.1(8) . . . . ?
C12A C11A C80A C70A -147.9(8) . . . . ?
C10A C11A C80A C70A -0.9(10) . . . . ?
Gd2 C11A C80A C70A -53.7(6) . . . . ?
C18A C79A C80A C11A 0.5(13) . . . . ?
C78A C79A C80A C11A -148.4(9) . . . . ?
C18A C79A C80A C70A 149.5(9) . . . . ?
C78A C79A C80A C70A 0.5(13) . . . . ?
C71A C70A C80A C11A 148.8(8) . . . . ?
C69A C70A C80A C11A -0.8(10) . . . . ?
Gd2 C70A C80A C11A 55.1(6) . . . . ?
C71A C70A C80A C79A -4.8(12) . . . . ?
C69A C70A C80A C79A -154.5(8) . . . . ?
Gd2 C70A C80A C79A -98.6(8) . . . . ?
C4P N1P C1P C20P -177.3(6) . . . . ?
Ni1P N1P C1P C20P 2.6(10) . . . . ?
C4P N1P C1P C2P -1.7(7) . . . . ?
Ni1P N1P C1P C2P 178.2(4) . . . . ?
N1P C1P C2P C3P 1.7(8) . . . . ?
C20P C1P C2P C3P 177.4(6) . . . . ?
N1P C1P C2P C21P -176.9(6) . . . . ?
C20P C1P C2P C21P -1.2(11) . . . . ?
C1P C2P C3P C4P -1.0(7) . . . . ?
C21P C2P C3P C4P 177.5(7) . . . . ?
C1P C2P C3P C23P -179.4(7) . . . . ?
C21P C2P C3P C23P -0.9(12) . . . . ?
C1P N1P C4P C5P 179.6(6) . . . . ?
Ni1P N1P C4P C5P -0.2(10) . . . . ?
C1P N1P C4P C3P 1.0(7) . . . . ?
Ni1P N1P C4P C3P -178.8(4) . . . . ?
C2P C3P C4P N1P 0.0(8) . . . . ?
C23P C3P C4P N1P 178.5(6) . . . . ?
C2P C3P C4P C5P -178.6(6) . . . . ?
C23P C3P C4P C5P -0.1(11) . . . . ?
N1P C4P C5P C6P -2.0(11) . . . . ?
C3P C4P C5P C6P 176.4(6) . . . . ?
C9P N2P C6P C5P 179.9(6) . . . . ?
Ni1P N2P C6P C5P -2.7(10) . . . . ?
C9P N2P C6P C7P -0.9(7) . . . . ?
Ni1P N2P C6P C7P 176.5(4) . . . . ?
C4P C5P C6P N2P 3.5(11) . . . . ?
C4P C5P C6P C7P -175.6(6) . . . . ?
N2P C6P C7P C8P 0.9(7) . . . . ?
C5P C6P C7P C8P -180.0(6) . . . . ?
N2P C6P C7P C25P -174.9(6) . . . . ?
C5P C6P C7P C25P 4.3(10) . . . . ?
C6P C7P C8P C9P -0.4(7) . . . . ?
C25P C7P C8P C9P 175.2(6) . . . . ?
C6P C7P C8P C27P -175.2(6) . . . . ?
C25P C7P C8P C27P 0.3(11) . . . . ?
C6P N2P C9P C10P 179.3(6) . . . . ?
Ni1P N2P C9P C10P 1.9(10) . . . . ?
C6P N2P C9P C8P 0.7(7) . . . . ?
Ni1P N2P C9P C8P -176.8(4) . . . . ?
C7P C8P C9P C10P -178.9(6) . . . . ?
C27P C8P C9P C10P -3.7(10) . . . . ?
C7P C8P C9P N2P -0.2(7) . . . . ?
C27P C8P C9P N2P 175.0(6) . . . . ?
N2P C9P C10P C11P -3.0(11) . . . . ?
C8P C9P C10P C11P 175.5(6) . . . . ?
C14P N3P C11P C10P -178.6(6) . . . . ?
Ni1P N3P C11P C10P 0.2(10) . . . . ?
C14P N3P C11P C12P -0.8(7) . . . . ?
Ni1P N3P C11P C12P 177.9(4) . . . . ?
C9P C10P C11P N3P 1.9(11) . . . . ?
C9P C10P C11P C12P -175.5(6) . . . . ?
N3P C11P C12P C13P -0.1(8) . . . . ?
C10P C11P C12P C13P 177.7(6) . . . . ?
N3P C11P C12P C29P -177.3(6) . . . . ?
C10P C11P C12P C29P 0.5(10) . . . . ?
C11P C12P C13P C14P 1.0(7) . . . . ?
C29P C12P C13P C14P 177.9(7) . . . . ?
C11P C12P C13P C31P -176.6(7) . . . . ?
C29P C12P C13P C31P 0.3(12) . . . . ?
C11P N3P C14P C15P 178.3(6) . . . . ?
Ni1P N3P C14P C15P -0.4(9) . . . . ?
C11P N3P C14P C13P 1.5(7) . . . . ?
Ni1P N3P C14P C13P -177.3(4) . . . . ?
C12P C13P C14P N3P -1.6(8) . . . . ?
C31P C13P C14P N3P 176.1(6) . . . . ?
C12P C13P C14P C15P -178.4(6) . . . . ?
C31P C13P C14P C15P -0.7(11) . . . . ?
N3P C14P C15P C16P -1.6(11) . . . . ?
C13P C14P C15P C16P 174.8(7) . . . . ?
C14P C15P C16P N4P 3.1(11) . . . . ?
C14P C15P C16P C17P -174.4(7) . . . . ?
C19P N4P C16P C15P -179.4(7) . . . . ?
Ni1P N4P C16P C15P -2.4(10) . . . . ?
C19P N4P C16P C17P -1.6(7) . . . . ?
Ni1P N4P C16P C17P 175.4(5) . . . . ?
C15P C16P C17P C18P 178.4(7) . . . . ?
N4P C16P C17P C18P 0.6(8) . . . . ?
C15P C16P C17P C33P 3.4(11) . . . . ?
N4P C16P C17P C33P -174.4(6) . . . . ?
C16P C17P C18P C19P 0.7(7) . . . . ?
C33P C17P C18P C19P 175.4(7) . . . . ?
C16P C17P C18P C35P -176.5(7) . . . . ?
C33P C17P C18P C35P -1.8(12) . . . . ?
C16P N4P C19P C20P -179.4(6) . . . . ?
Ni1P N4P C19P C20P 3.5(10) . . . . ?
C16P N4P C19P C18P 2.1(7) . . . . ?
Ni1P N4P C19P C18P -174.9(5) . . . . ?
C17P C18P C19P N4P -1.8(8) . . . . ?
C35P C18P C19P N4P 175.6(6) . . . . ?
C17P C18P C19P C20P 179.7(6) . . . . ?
C35P C18P C19P C20P -2.9(11) . . . . ?
N1P C1P C20P C19P 0.8(11) . . . . ?
C2P C1P C20P C19P -174.3(6) . . . . ?
N4P C19P C20P C1P -3.9(11) . . . . ?
C18P C19P C20P C1P 174.4(6) . . . . ?
C3P C2P C21P C22P -100.6(9) . . . . ?
C1P C2P C21P C22P 77.6(9) . . . . ?
C2P C3P C23P C24P 101.1(9) . . . . ?
C4P C3P C23P C24P -77.1(9) . . . . ?
C8P C7P C25P C26P -95.2(8) . . . . ?
C6P C7P C25P C26P 79.6(8) . . . . ?
C7P C8P C27P C28P 94.8(8) . . . . ?
C9P C8P C27P C28P -79.2(8) . . . . ?
C13P C12P C29P C30P -99.9(9) . . . . ?
C11P C12P C29P C30P 76.6(9) . . . . ?
C12P C13P C31P C32P 100.7(9) . . . . ?
C14P C13P C31P C32P -76.5(9) . . . . ?
C18P C17P C33P C34P -102.2(9) . . . . ?
C16P C17P C33P C34P 71.7(9) . . . . ?
C17P C18P C35P C36P 102.9(9) . . . . ?
C19P C18P C35P C36P -73.9(9) . . . . ?
C6S C1S C2S C3S -0.7(13) . . . . ?
C1S C2S C3S C4S 1.0(13) . . . . ?
C2S C3S C4S C5S -1.2(13) . . . . ?
C3S C4S C5S C6S 1.0(12) . . . . ?
C2S C1S C6S C5S 0.5(12) . . . . ?
C4S C5S C6S C1S -0.7(12) . . . . ?
C9S C7S C8S C9S -5(2) 2_655 . . . ?
C7S C8S C9S C7S 4.6(18) . . . 2_655 ?
C12S C10S C11S C12S 0(3) 2_655 . . . ?
C10S C11S C12S C10S 13(3) . . . 2_655 ?

_refine_diff_density_max         3.318
_refine_diff_density_min         -3.068
_refine_diff_density_rms         0.172

