# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C217 H85 Cl23 Dy2 N24 O'
_chemical_formula_weight         4184.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   16.6402(3)
_cell_length_b                   27.6773(7)
_cell_length_c                   39.7657(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.466(2)
_cell_angle_gamma                90.00
_cell_volume                     18313.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    31135
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      68.71

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8344
_exptl_absorpt_coefficient_mu    7.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.276
_exptl_absorpt_correction_T_max  0.530
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2141
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            86097
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0724
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         3.10
_diffrn_reflns_theta_max         60.00
_reflns_number_total             27178
_reflns_number_gt                21070
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1961P)²+76.3209P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         27178
_refine_ls_number_parameters     2402
_refine_ls_number_restraints     1602
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0977
_refine_ls_wR_factor_ref         0.2955
_refine_ls_wR_factor_gt          0.2745
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0043(5) 0.5363(3) 0.8186(2) 0.0280(19) Uani 1 1 d U . .
C1A C 0.1916(5) 0.4776(3) 0.5963(2) 0.0282(19) Uani 1 1 d U . .
C1B C 0.0597(7) 0.3342(6) 0.7394(3) 0.060(3) Uani 1 1 d U . .
C2 C -0.0506(6) 0.5460(4) 0.7887(2) 0.039(2) Uani 1 1 d U . .
H2 H -0.0468 0.5734 0.7753 0.047 Uiso 1 1 calc R . .
C2A C 0.1134(6) 0.4993(4) 0.5979(3) 0.037(2) Uani 1 1 d U . .
H2A H 0.0667 0.4883 0.5874 0.044 Uiso 1 1 calc R . .
C2B C 0.0737(10) 0.3218(7) 0.7765(5) 0.089(5) Uani 1 1 d U . .
C3 C -0.1000(6) 0.5086(4) 0.7839(2) 0.034(2) Uani 1 1 d U . .
H3 H -0.1374 0.5052 0.7665 0.041 Uiso 1 1 calc R . .
C3A C 0.1208(6) 0.5388(4) 0.6175(3) 0.040(2) Uani 1 1 d U . .
H3A H 0.0803 0.5606 0.6228 0.048 Uiso 1 1 calc R . .
C3B C 0.1314(8) 0.2824(4) 0.7838(4) 0.058(3) Uani 1 1 d U . .
C4 C -0.0846(5) 0.4741(3) 0.8108(2) 0.030(2) Uani 1 1 d U . .
C4A C 0.2041(6) 0.5409(3) 0.6288(2) 0.030(2) Uani 1 1 d U . .
C4B C 0.1431(10) 0.2653(5) 0.7501(4) 0.071(4) Uani 1 1 d U . .
C5 C -0.1176(5) 0.4279(3) 0.8125(2) 0.0268(19) Uani 1 1 d U . .
C5A C 0.2337(6) 0.5731(3) 0.6534(2) 0.033(2) Uani 1 1 d U . .
C5B C 0.1012(9) 0.2943(6) 0.7253(4) 0.073(4) Uani 1 1 d U . .
C6 C -0.0938(5) 0.3909(3) 0.8346(2) 0.029(2) Uani 1 1 d U . .
C6A C 0.3127(6) 0.5751(3) 0.6655(2) 0.0287(19) Uani 1 1 d U . .
C6B C 0.0578(7) 0.3794(6) 0.7235(4) 0.066(4) Uani 1 1 d U . .
C7 C -0.1240(5) 0.3419(4) 0.8332(3) 0.035(2) Uani 1 1 d U . .
H7 H -0.1647 0.3305 0.8191 0.042 Uiso 1 1 calc R . .
C7A C 0.3371(6) 0.6011(3) 0.6954(2) 0.036(2) Uani 1 1 d U . .
H7A H 0.3050 0.6218 0.7079 0.044 Uiso 1 1 calc R . .
C7B C 0.0647(8) 0.4201(6) 0.7464(4) 0.065(4) Uani 1 1 d U . .
C8 C -0.0828(6) 0.3161(4) 0.8558(2) 0.034(2) Uani 1 1 d U . .
H8 H -0.0898 0.2835 0.8606 0.041 Uiso 1 1 calc R . .
C8A C 0.4132(7) 0.5905(4) 0.7018(3) 0.040(2) Uani 1 1 d U . .
H8A H 0.4444 0.6021 0.7195 0.049 Uiso 1 1 calc R . .
C8B C 0.0722(6) 0.4104(4) 0.7804(3) 0.048(3) Uani 1 1 d U . .
C9 C -0.0257(5) 0.3482(3) 0.8714(2) 0.0212(17) Uani 1 1 d U . .
C9A C 0.4385(6) 0.5570(3) 0.6757(2) 0.0280(19) Uani 1 1 d U . .
C9B C 0.0813(10) 0.3580(7) 0.7960(5) 0.090(5) Uani 1 1 d U . .
C10 C 0.0369(5) 0.3325(3) 0.8935(2) 0.0257(18) Uani 1 1 d U . .
C10A C 0.5137(6) 0.5330(3) 0.6759(2) 0.030(2) Uani 1 1 d U . .
C10B C 0.1435(7) 0.3587(5) 0.8239(3) 0.054(3) Uani 1 1 d U . .
C11 C 0.0988(5) 0.3623(3) 0.9058(2) 0.0260(19) Uani 1 1 d U . .
C11A C 0.5321(6) 0.4918(3) 0.6566(2) 0.030(2) Uani 1 1 d U . .
C11B C 0.1993(9) 0.3224(5) 0.8285(3) 0.065(4) Uani 1 1 d U . .
C12 C 0.1716(6) 0.3431(4) 0.9211(2) 0.036(2) Uani 1 1 d U . .
H12 H 0.1814 0.3111 0.9271 0.043 Uiso 1 1 calc R . .
C12A C 0.6077(6) 0.4651(3) 0.6588(2) 0.034(2) Uani 1 1 d U . .
H12A H 0.6533 0.4739 0.6710 0.041 Uiso 1 1 calc R . .
C12B C 0.1928(8) 0.2804(5) 0.8067(3) 0.054(3) Uani 1 1 d U . .
C13 C 0.2219(6) 0.3809(4) 0.9250(2) 0.036(2) Uani 1 1 d U . .
H13 H 0.2736 0.3794 0.9341 0.043 Uiso 1 1 calc R . .
C13A C 0.5983(6) 0.4252(3) 0.6397(2) 0.030(2) Uani 1 1 d U . .
H13A H 0.6363 0.4011 0.6363 0.036 Uiso 1 1 calc R . .
C13B C 0.2694(9) 0.2619(5) 0.7969(4) 0.067(4) Uani 1 1 d U . .
C14 C 0.1823(5) 0.4240(3) 0.9126(2) 0.0270(19) Uani 1 1 d U . .
C14A C 0.5172(5) 0.4270(3) 0.6253(2) 0.0248(18) Uani 1 1 d U . .
C14B C 0.2819(10) 0.2460(5) 0.7642(4) 0.076(4) Uani 1 1 d U . .
C15 C 0.2177(5) 0.4687(3) 0.9092(2) 0.0277(19) Uani 1 1 d U . .
C15A C 0.4841(5) 0.3887(3) 0.6063(2) 0.0275(19) Uani 1 1 d U . .
C15B C 0.2201(10) 0.2468(5) 0.7416(4) 0.067(4) Uani 1 1 d U . .
C16 C 0.1869(5) 0.5088(3) 0.8913(2) 0.028(2) Uani 1 1 d U . .
C16A C 0.4062(5) 0.3884(3) 0.5925(2) 0.031(2) Uani 1 1 d U . .
C16B C 0.2662(11) 0.2589(6) 0.7095(5) 0.087(5) Uani 1 1 d U . .
C17 C 0.2265(6) 0.5547(4) 0.8873(2) 0.034(2) Uani 1 1 d U . .
H17 H 0.2734 0.5644 0.8984 0.041 Uiso 1 1 calc R . .
C17A C 0.3671(6) 0.3453(3) 0.5794(2) 0.030(2) Uani 1 1 d U . .
H17A H 0.3900 0.3149 0.5766 0.037 Uiso 1 1 calc R . .
C17B C 0.2303(12) 0.2847(7) 0.6866(4) 0.088(5) Uani 1 1 d U . .
C18 C 0.1847(6) 0.5809(4) 0.8653(2) 0.037(2) Uani 1 1 d U . .
H18 H 0.1972 0.6118 0.8576 0.045 Uiso 1 1 calc R . .
C18A C 0.2895(6) 0.3584(4) 0.5722(2) 0.036(2) Uani 1 1 d U . .
H18A H 0.2497 0.3386 0.5632 0.044 Uiso 1 1 calc R . .
C18B C 0.1423(8) 0.3019(5) 0.6949(3) 0.062(3) Uani 1 1 d U . .
C19 C 0.1158(5) 0.5519(3) 0.8555(2) 0.0288(19) Uani 1 1 d U . .
C19A C 0.2809(5) 0.4083(3) 0.5812(2) 0.0267(19) Uani 1 1 d U . .
C19B C 0.1408(8) 0.3471(6) 0.6792(3) 0.059(3) Uani 1 1 d U . .
C20 C 0.0608(6) 0.5646(3) 0.8303(2) 0.032(2) Uani 1 1 d U . .
C20A C 0.2066(5) 0.4321(3) 0.5810(2) 0.0281(19) Uani 1 1 d U . .
C20B C 0.0979(7) 0.3862(5) 0.6937(3) 0.056(3) Uani 1 1 d U . .
C21 C -0.1749(5) 0.4127(4) 0.7851(2) 0.031(2) Uani 1 1 d U . .
C21A C 0.1699(6) 0.6032(4) 0.6706(2) 0.039(2) Uani 1 1 d U . .
C21B C 0.1102(10) 0.4564(6) 0.7319(4) 0.074(4) Uani 1 1 d U . .
C22 C -0.2553(6) 0.4209(5) 0.7858(3) 0.049(3) Uani 1 1 d U . .
H22 H -0.2763 0.4391 0.8033 0.058 Uiso 1 1 calc R . .
C22A C 0.1090(6) 0.5781(4) 0.6870(3) 0.042(2) Uani 1 1 d U . .
H22A H 0.1111 0.5447 0.6887 0.051 Uiso 1 1 calc R . .
C22B C 0.1230(11) 0.4362(7) 0.6985(4) 0.088(5) Uani 1 1 d U . .
C23 C -0.3070(7) 0.4032(5) 0.7616(3) 0.053(3) Uani 1 1 d U . .
H23 H -0.3617 0.4101 0.7626 0.063 Uiso 1 1 calc R . .
C23A C 0.0438(8) 0.6041(5) 0.7010(3) 0.055(3) Uani 1 1 d U . .
H23A H 0.0036 0.5879 0.7125 0.066 Uiso 1 1 calc R . .
C23B C 0.2178(8) 0.3583(6) 0.6642(3) 0.058(3) Uani 1 1 d U . .
C24 C -0.2777(6) 0.3759(4) 0.7363(2) 0.037(2) Uani 1 1 d U . .
C24A C 0.0409(9) 0.6511(5) 0.6977(3) 0.062(3) Uani 1 1 d U . .
C24B C 0.2745(8) 0.3215(5) 0.6689(3) 0.058(3) Uani 1 1 d U . .
C25 C -0.1980(8) 0.3648(5) 0.7346(3) 0.062(3) Uani 1 1 d U . .
H25 H -0.1776 0.3461 0.7172 0.075 Uiso 1 1 calc R . .
C25A C 0.1017(9) 0.6765(5) 0.6819(3) 0.068(4) Uani 1 1 d U . .
H25A H 0.0986 0.7100 0.6805 0.082 Uiso 1 1 calc R . .
C25B C 0.3510(8) 0.2677(4) 0.7156(3) 0.058(3) Uani 1 1 d U . .
C26 C -0.1492(8) 0.3822(6) 0.7597(4) 0.069(4) Uani 1 1 d U . .
H26 H -0.0955 0.3730 0.7597 0.082 Uiso 1 1 calc R . .
C26A C 0.1668(8) 0.6527(4) 0.6681(3) 0.053(3) Uani 1 1 d U . .
H26A H 0.2075 0.6698 0.6575 0.063 Uiso 1 1 calc R . .
C26B C 0.3608(10) 0.2591(5) 0.7521(4) 0.076(4) Uani 1 1 d U . .
C27 C 0.0412(5) 0.2807(3) 0.9011(2) 0.031(2) Uani 1 1 d U . .
C27A C 0.5735(6) 0.5496(3) 0.7012(2) 0.032(2) Uani 1 1 d U . .
C27B C 0.3286(13) 0.2982(7) 0.8179(5) 0.093(5) Uani 1 1 d U . .
C28 C 0.0507(6) 0.2464(4) 0.8756(2) 0.034(2) Uani 1 1 d U . .
H28 H 0.0572 0.2570 0.8536 0.040 Uiso 1 1 calc R . .
C28A C 0.6020(7) 0.5200(4) 0.7268(3) 0.041(2) Uani 1 1 d U . .
H28A H 0.5843 0.4881 0.7277 0.049 Uiso 1 1 calc R . .
C28B C 0.2824(8) 0.3348(5) 0.8358(3) 0.055(3) Uani 1 1 d U . .
C29 C 0.0508(6) 0.1974(4) 0.8820(3) 0.038(2) Uani 1 1 d U . .
H29 H 0.0575 0.1752 0.8648 0.045 Uiso 1 1 calc R . .
C29A C 0.6569(7) 0.5363(4) 0.7515(3) 0.049(3) Uani 1 1 d U . .
H29A H 0.6762 0.5156 0.7682 0.059 Uiso 1 1 calc R . .
C29B C 0.1662(7) 0.4087(5) 0.8258(3) 0.052(3) Uani 1 1 d U . .
C30 C 0.0407(7) 0.1823(4) 0.9147(3) 0.044(2) Uani 1 1 d U . .
C30A C 0.6814(7) 0.5847(4) 0.7502(3) 0.047(3) Uani 1 1 d U . .
C30B C 0.1265(6) 0.4369(4) 0.8012(3) 0.046(3) Uani 1 1 d U . .
C31 C 0.0330(6) 0.2147(4) 0.9407(3) 0.040(2) Uani 1 1 d U . .
H31 H 0.0272 0.2040 0.9627 0.048 Uiso 1 1 calc R . .
C31A C 0.6552(7) 0.6149(4) 0.7247(3) 0.049(3) Uani 1 1 d U . .
H31A H 0.6742 0.6464 0.7235 0.059 Uiso 1 1 calc R . .
C31B C 0.3901(8) 0.4609(5) 0.7182(4) 0.066(4) Uani 1 1 d U . .
C32 C 0.0342(6) 0.2635(3) 0.9336(2) 0.036(2) Uani 1 1 d U . .
H32 H 0.0301 0.2855 0.9512 0.043 Uiso 1 1 calc R . .
C32A C 0.6006(7) 0.5982(4) 0.7009(3) 0.043(2) Uani 1 1 d U . .
H32A H 0.5814 0.6192 0.6844 0.052 Uiso 1 1 calc R . .
C32B C 0.4439(9) 0.4230(6) 0.7257(4) 0.079(4) Uani 1 1 d U . .
C33 C 0.3038(6) 0.4733(4) 0.9218(2) 0.033(2) Uani 1 1 d U . .
C33A C 0.5304(5) 0.3428(3) 0.6040(2) 0.031(2) Uani 1 1 d U . .
C33B C 0.4572(7) 0.4153(6) 0.7628(3) 0.064(3) Uani 1 1 d U . .
C34 C 0.3656(6) 0.4837(4) 0.8985(3) 0.042(2) Uani 1 1 d U . .
H34 H 0.3529 0.4904 0.8762 0.051 Uiso 1 1 calc R . .
C34A C 0.5500(6) 0.3165(4) 0.6329(3) 0.037(2) Uani 1 1 d U . .
H34A H 0.5359 0.3288 0.6537 0.044 Uiso 1 1 calc R . .
C34B C 0.4132(10) 0.4511(6) 0.7781(4) 0.076(4) Uani 1 1 d U . .
C35 C 0.4459(7) 0.4838(5) 0.9095(3) 0.053(3) Uani 1 1 d U . .
H35 H 0.4870 0.4903 0.8944 0.063 Uiso 1 1 calc R . .
C35A C 0.5897(8) 0.2726(4) 0.6315(3) 0.056(3) Uani 1 1 d U . .
H35A H 0.6013 0.2552 0.6509 0.068 Uiso 1 1 calc R . .
C35B C 0.3702(10) 0.4802(5) 0.7540(4) 0.074(4) Uani 1 1 d U . .
C36 C 0.4630(7) 0.4746(5) 0.9417(3) 0.058(3) Uani 1 1 d U . .
C36A C 0.6119(8) 0.2555(5) 0.5999(4) 0.062(3) Uani 1 1 d U . .
C36B C 0.3777(6) 0.3825(5) 0.6773(3) 0.047(3) Uani 1 1 d U . .
C37 C 0.4047(7) 0.4652(5) 0.9655(3) 0.054(3) Uani 1 1 d U . .
H37 H 0.4187 0.4593 0.9878 0.065 Uiso 1 1 calc R . .
C37A C 0.5920(8) 0.2792(4) 0.5706(3) 0.054(3) Uani 1 1 d U . .
H37A H 0.6050 0.2661 0.5498 0.064 Uiso 1 1 calc R . .
C37B C 0.3211(8) 0.4200(5) 0.6734(3) 0.053(3) Uani 1 1 d U . .
C38 C 0.3245(6) 0.4648(4) 0.9551(3) 0.043(3) Uani 1 1 d U . .
H38 H 0.2844 0.4587 0.9707 0.052 Uiso 1 1 calc R . .
C38A C 0.5521(6) 0.3233(4) 0.5727(3) 0.039(2) Uani 1 1 d U . .
H38A H 0.5396 0.3401 0.5531 0.046 Uiso 1 1 calc R . .
C38B C 0.3287(7) 0.4609(4) 0.6953(3) 0.048(3) Uani 1 1 d U . .
C39 C 0.0761(6) 0.6108(4) 0.8109(2) 0.039(2) Uani 1 1 d U . .
C39A C 0.1342(5) 0.4060(3) 0.5667(2) 0.029(2) Uani 1 1 d U . .
C39B C 0.2523(7) 0.4795(4) 0.7040(3) 0.051(3) Uani 1 1 d U . .
C40 C 0.1445(7) 0.6150(4) 0.7916(3) 0.046(3) Uani 1 1 d U . .
H40 H 0.1811 0.5897 0.7904 0.055 Uiso 1 1 calc R . .
C40A C 0.0726(6) 0.3898(4) 0.5873(3) 0.044(2) Uani 1 1 d U . .
H40A H 0.0767 0.3942 0.6104 0.053 Uiso 1 1 calc R . .
C40B C 0.2372(10) 0.4963(5) 0.7355(4) 0.071(4) Uani 1 1 d U . .
C41 C 0.1578(9) 0.6582(5) 0.7738(3) 0.066(4) Uani 1 1 d U . .
H41 H 0.2028 0.6616 0.7603 0.080 Uiso 1 1 calc R . .
C41A C 0.0061(7) 0.3677(4) 0.5740(3) 0.047(3) Uani 1 1 d U . .
H41A H -0.0333 0.3557 0.5882 0.057 Uiso 1 1 calc R . .
C41B C 0.2940(11) 0.4964(5) 0.7595(4) 0.075(4) Uani 1 1 d U . .
C42 C 0.1035(9) 0.6952(5) 0.7766(3) 0.064(3) Uani 1 1 d U . .
C42A C -0.0026(6) 0.3629(4) 0.5399(3) 0.038(2) Uani 1 1 d U . .
C42B C 0.2512(10) 0.4848(6) 0.7920(5) 0.081(4) Uani 1 1 d U . .
C43 C 0.0365(9) 0.6910(5) 0.7960(3) 0.060(3) Uani 1 1 d U . .
H43 H 0.0005 0.7165 0.7978 0.072 Uiso 1 1 calc R . .
C43A C 0.0577(7) 0.3798(4) 0.5190(3) 0.045(3) Uani 1 1 d U . .
H43A H 0.0523 0.3769 0.4957 0.053 Uiso 1 1 calc R . .
C43B C 0.2850(11) 0.4583(6) 0.8146(4) 0.078(4) Uani 1 1 d U . .
C44 C 0.0234(7) 0.6493(4) 0.8125(3) 0.046(3) Uani 1 1 d U . .
H44 H -0.0228 0.6463 0.8254 0.056 Uiso 1 1 calc R . .
C44A C 0.1244(6) 0.4005(4) 0.5323(3) 0.043(2) Uani 1 1 d U . .
H44A H 0.1647 0.4112 0.5180 0.052 Uiso 1 1 calc R . .
C44B C 0.3782(8) 0.4414(5) 0.8075(3) 0.064(3) Uani 1 1 d U . .
C45 C -0.1265(5) 0.3879(3) 0.9325(2) 0.030(2) Uani 1 1 d U . .
C45A C 0.5588(6) 0.4808(3) 0.5595(2) 0.032(2) Uani 1 1 d U . .
C45B C 0.3815(7) 0.3933(5) 0.8228(3) 0.047(3) Uani 1 1 d U . .
C46 C -0.1260(6) 0.3499(3) 0.9582(2) 0.032(2) Uani 1 1 d U . .
C46A C 0.5905(6) 0.4410(3) 0.5388(2) 0.032(2) Uani 1 1 d U . .
C46B C 0.4216(8) 0.3573(5) 0.8083(3) 0.059(3) Uani 1 1 d U . .
C47 C -0.1790(7) 0.3135(4) 0.9658(3) 0.040(2) Uani 1 1 d U . .
H47 H -0.2255 0.3083 0.9532 0.048 Uiso 1 1 calc R . .
C47A C 0.6669(6) 0.4197(4) 0.5372(3) 0.038(2) Uani 1 1 d U . .
H47A H 0.7095 0.4295 0.5508 0.046 Uiso 1 1 calc R . .
C47B C 0.4642(7) 0.3696(6) 0.7746(4) 0.073(4) Uani 1 1 d U . .
C48 C -0.1591(8) 0.2846(4) 0.9937(3) 0.051(3) Uani 1 1 d U . .
H48 H -0.1914 0.2582 0.9987 0.061 Uiso 1 1 calc R . .
C48A C 0.6743(7) 0.3826(4) 0.5135(3) 0.043(2) Uani 1 1 d U . .
H48A H 0.7227 0.3660 0.5120 0.051 Uiso 1 1 calc R . .
C48B C 0.4578(8) 0.3257(6) 0.7540(4) 0.073(4) Uani 1 1 d U . .
C49 C -0.0934(7) 0.2942(4) 1.0136(3) 0.042(2) Uani 1 1 d U . .
H49 H -0.0825 0.2743 1.0319 0.050 Uiso 1 1 calc R . .
C49A C 0.6122(7) 0.3699(4) 0.4922(3) 0.044(3) Uani 1 1 d U . .
H49A H 0.6208 0.3458 0.4763 0.053 Uiso 1 1 calc R . .
C49B C 0.4485(7) 0.3323(5) 0.7207(3) 0.056(3) Uani 1 1 d U . .
C50 C -0.0430(6) 0.3325(4) 1.0073(2) 0.034(2) Uani 1 1 d U . .
H50 H -0.0003 0.3400 1.0215 0.041 Uiso 1 1 calc R . .
C50A C 0.5380(7) 0.3914(4) 0.4936(2) 0.041(2) Uani 1 1 d U . .
H50A H 0.4962 0.3825 0.4792 0.049 Uiso 1 1 calc R . .
C50B C 0.4374(8) 0.3881(6) 0.7038(4) 0.071(4) Uani 1 1 d U . .
C51 C -0.0593(6) 0.3596(3) 0.9782(2) 0.031(2) Uani 1 1 d U . .
C51A C 0.5293(6) 0.4274(4) 0.5179(2) 0.034(2) Uani 1 1 d U . .
C51B C 0.3546(7) 0.3327(5) 0.6755(3) 0.052(3) Uani 1 1 d U . .
C52 C -0.0210(5) 0.4031(3) 0.9644(2) 0.029(2) Uani 1 1 d U . .
C52A C 0.4575(6) 0.4565(3) 0.5278(2) 0.031(2) Uani 1 1 d U . .
C52B C 0.3948(7) 0.3035(4) 0.7008(3) 0.049(3) Uani 1 1 d U . .
C53 C 0.0664(5) 0.4681(3) 0.9714(2) 0.030(2) Uani 1 1 d U . .
C53A C 0.3273(6) 0.4826(3) 0.5181(2) 0.029(2) Uani 1 1 d U . .
C53B C 0.4155(10) 0.2880(6) 0.7696(4) 0.077(4) Uani 1 1 d U . .
C54 C 0.1283(5) 0.4931(4) 0.9910(2) 0.029(2) Uani 1 1 d U . .
C54A C 0.2543(6) 0.4851(4) 0.4961(2) 0.034(2) Uani 1 1 d U . .
C54B C 0.3944(13) 0.3096(8) 0.8057(5) 0.103(6) Uani 1 1 d U . .
C55 C 0.1715(6) 0.4799(4) 1.0198(2) 0.034(2) Uani 1 1 d U . .
H55 H 0.1619 0.4508 1.0307 0.041 Uiso 1 1 calc R . .
C55A C 0.2326(7) 0.4609(4) 0.4668(3) 0.042(2) Uani 1 1 d U . .
H55A H 0.2660 0.4376 0.4575 0.051 Uiso 1 1 calc R . .
C55B C 0.3044(7) 0.3832(5) 0.8377(3) 0.047(3) Uani 1 1 d U . .
C56 C 0.2297(5) 0.5120(4) 1.0315(2) 0.035(2) Uani 1 1 d U . .
H56 H 0.2610 0.5036 1.0501 0.042 Uiso 1 1 calc R . .
C56A C 0.1589(8) 0.4727(5) 0.4518(3) 0.056(3) Uani 1 1 d U . .
H56A H 0.1433 0.4576 0.4319 0.068 Uiso 1 1 calc R . .
C56B C 0.2462(7) 0.4200(4) 0.8328(3) 0.045(3) Uani 1 1 d U . .
C57 C 0.2416(6) 0.5560(4) 1.0162(2) 0.038(2) Uani 1 1 d U . .
H57 H 0.2811 0.5766 1.0246 0.046 Uiso 1 1 calc R . .
C57A C 0.1092(7) 0.5066(5) 0.4662(3) 0.056(3) Uani 1 1 d U . .
H57A H 0.0599 0.5132 0.4560 0.067 Uiso 1 1 calc R . .
C57B C 0.1703(8) 0.4751(5) 0.7861(4) 0.058(3) Uani 1 1 d U . .
C58 C 0.1954(6) 0.5706(4) 0.9879(3) 0.037(2) Uani 1 1 d U . .
H58 H 0.2023 0.6007 0.9779 0.044 Uiso 1 1 calc R . .
C58A C 0.1304(7) 0.5313(5) 0.4953(3) 0.052(3) Uani 1 1 d U . .
H58A H 0.0973 0.5549 0.5046 0.062 Uiso 1 1 calc R . .
C58B C 0.1603(9) 0.4838(5) 0.7504(4) 0.069(4) Uani 1 1 d U . .
C59 C 0.1394(5) 0.5379(3) 0.9760(2) 0.029(2) Uani 1 1 d U . .
C59A C 0.2038(6) 0.5189(4) 0.5100(2) 0.036(2) Uani 1 1 d U . .
C59B C 0.1917(11) 0.4477(7) 0.6852(4) 0.087(5) Uani 1 1 d U . .
C60 C 0.0796(5) 0.5408(3) 0.9488(2) 0.0261(19) Uani 1 1 d U . .
C60A C 0.2485(6) 0.5395(4) 0.5382(2) 0.034(2) Uani 1 1 d U . .
C60B C 0.2399(7) 0.4065(5) 0.6662(3) 0.053(3) Uani 1 1 d U . .
C61 C 0.0013(6) 0.5856(3) 0.9114(2) 0.0275(19) Uani 1 1 d U . .
C61A C 0.2696(6) 0.6051(3) 0.5739(2) 0.031(2) Uani 1 1 d U . .
C62 C -0.0265(6) 0.6335(4) 0.9001(2) 0.034(2) Uani 1 1 d U . .
C62A C 0.2459(6) 0.6547(4) 0.5835(2) 0.037(2) Uani 1 1 d U . .
C63 C 0.0029(7) 0.6797(4) 0.9039(3) 0.044(2) Uani 1 1 d U . .
H63 H 0.0516 0.6855 0.9148 0.052 Uiso 1 1 calc R . .
C63A C 0.1760(7) 0.6810(4) 0.5782(3) 0.041(2) Uani 1 1 d U . .
H63A H 0.1318 0.6682 0.5669 0.050 Uiso 1 1 calc R . .
C64 C -0.0428(8) 0.7173(4) 0.8908(3) 0.054(3) Uani 1 1 d U . .
H64 H -0.0240 0.7488 0.8930 0.065 Uiso 1 1 calc R . .
C64A C 0.1762(7) 0.7282(4) 0.5910(3) 0.047(3) Uani 1 1 d U . .
H64A H 0.1300 0.7469 0.5889 0.056 Uiso 1 1 calc R . .
C65 C -0.1141(7) 0.7095(4) 0.8748(3) 0.047(3) Uani 1 1 d U . .
H65 H -0.1432 0.7357 0.8667 0.057 Uiso 1 1 calc R . .
C65A C 0.2426(7) 0.7475(4) 0.6067(3) 0.048(3) Uani 1 1 d U . .
H65A H 0.2401 0.7790 0.6147 0.058 Uiso 1 1 calc R . .
C66 C -0.1444(7) 0.6636(4) 0.8704(3) 0.047(3) Uani 1 1 d U . .
H66 H -0.1931 0.6584 0.8594 0.057 Uiso 1 1 calc R . .
C66A C 0.3131(8) 0.7217(4) 0.6110(3) 0.047(3) Uani 1 1 d U . .
H66A H 0.3584 0.7357 0.6208 0.056 Uiso 1 1 calc R . .
C67 C -0.0989(6) 0.6248(4) 0.8832(2) 0.036(2) Uani 1 1 d U . .
C67A C 0.3131(7) 0.6736(4) 0.6000(3) 0.040(2) Uani 1 1 d U . .
C68A C 0.3742(6) 0.6356(4) 0.6000(2) 0.036(2) Uani 1 1 d U . .
C69 C -0.1952(6) 0.5067(4) 0.8738(2) 0.032(2) Uani 1 1 d U . .
C69A C 0.5087(6) 0.6123(3) 0.6076(2) 0.030(2) Uani 1 1 d U . .
C70 C -0.2730(6) 0.4871(4) 0.8633(2) 0.033(2) Uani 1 1 d U . .
C70A C 0.5922(6) 0.6240(4) 0.6158(2) 0.037(2) Uani 1 1 d U . .
C71 C -0.3386(6) 0.5083(4) 0.8458(2) 0.038(2) Uani 1 1 d U . .
H71 H -0.3372 0.5401 0.8384 0.046 Uiso 1 1 calc R . .
C71A C 0.6270(7) 0.6655(4) 0.6284(3) 0.051(3) Uani 1 1 d U . .
H71A H 0.5968 0.6931 0.6324 0.061 Uiso 1 1 calc R . .
C72 C -0.4046(6) 0.4792(5) 0.8402(3) 0.047(3) Uani 1 1 d U . .
H72 H -0.4483 0.4914 0.8282 0.056 Uiso 1 1 calc R . .
C72A C 0.7097(8) 0.6642(5) 0.6348(3) 0.059(3) Uani 1 1 d U . .
H72A H 0.7350 0.6912 0.6439 0.071 Uiso 1 1 calc R . .
C73 C -0.4071(6) 0.4321(4) 0.8521(3) 0.045(3) Uani 1 1 d U . .
H73 H -0.4528 0.4136 0.8479 0.054 Uiso 1 1 calc R . .
C73A C 0.7543(8) 0.6236(5) 0.6278(3) 0.057(3) Uani 1 1 d U . .
H73A H 0.8094 0.6238 0.6319 0.068 Uiso 1 1 calc R . .
C74 C -0.3446(6) 0.4116(4) 0.8699(3) 0.042(2) Uani 1 1 d U . .
H74 H -0.3469 0.3801 0.8779 0.050 Uiso 1 1 calc R . .
C74A C 0.7188(7) 0.5821(5) 0.6146(3) 0.050(3) Uani 1 1 d U . .
H74A H 0.7491 0.5547 0.6099 0.060 Uiso 1 1 calc R . .
C75 C -0.2777(5) 0.4411(4) 0.8753(2) 0.035(2) Uani 1 1 d U . .
C75A C 0.6374(6) 0.5831(4) 0.6087(2) 0.034(2) Uani 1 1 d U . .
C76 C -0.1997(5) 0.4326(3) 0.8930(2) 0.028(2) Uani 1 1 d U . .
C76A C 0.5801(5) 0.5482(3) 0.5936(2) 0.029(2) Uani 1 1 d U . .
C77 C 0.1867(8) 0.2096(4) 0.5427(4) 0.124(7) Uani 1 1 d DU . .
H77 H 0.1679 0.1956 0.5639 0.149 Uiso 1 1 calc R . .
Dy1 Dy -0.00415(3) 0.466731(19) 0.890300(12) 0.02379(17) Uani 1 1 d . . .
Dy2 Dy 0.38679(3) 0.511756(18) 0.598384(12) 0.02500(17) Uani 1 1 d . . .
Cl1 Cl 0.0361(2) 0.12015(10) 0.92265(8) 0.0649(9) Uani 1 1 d U . .
Cl2 Cl 0.56429(19) 0.4732(2) 0.95466(11) 0.0979(15) Uani 1 1 d U . .
Cl3 Cl 0.1202(4) 0.74976(14) 0.75527(12) 0.1075(16) Uani 1 1 d U . .
Cl4 Cl -0.34199(18) 0.34972(12) 0.70645(8) 0.0625(8) Uani 1 1 d U . .
Cl5 Cl -0.08809(16) 0.33664(11) 0.52249(8) 0.0557(7) Uani 1 1 d U . .
Cl6 Cl 0.6598(4) 0.19918(15) 0.59776(14) 0.1140(17) Uani 1 1 d U . .
Cl7 Cl 0.7465(2) 0.60614(13) 0.78082(9) 0.0718(9) Uani 1 1 d U . .
Cl8 Cl -0.0426(3) 0.68306(19) 0.71220(10) 0.1085(17) Uani 1 1 d U . .
C78 C 0.3857(7) 0.7610(4) 0.7045(4) 0.126(7) Uani 1 1 d DU . .
H78 H 0.4129 0.7715 0.7252 0.151 Uiso 1 1 calc R . .
Cl9 Cl 0.2871(5) 0.7445(4) 0.7150(3) 0.186(3) Uani 1 1 d DU . .
Cl10 Cl 0.3719(5) 0.8124(2) 0.6789(2) 0.166(3) Uani 1 1 d DU . .
Cl11 Cl 0.4459(3) 0.71580(16) 0.68588(13) 0.1009(14) Uani 1 1 d DU . .
Cl12 Cl 0.1281(3) 0.2610(2) 0.53201(15) 0.1148(16) Uani 1 1 d DU . .
Cl13 Cl 0.2885(7) 0.2294(5) 0.5472(4) 0.285(7) Uani 1 1 d DU . .
Cl14 Cl 0.1826(4) 0.1660(3) 0.5103(2) 0.154(3) Uani 1 1 d DU . .
N1 N -0.0356(4) 0.3940(3) 0.85852(17) 0.0244(15) Uani 1 1 d U . .
N2 N 0.1059(4) 0.4111(3) 0.90171(17) 0.0272(16) Uani 1 1 d U . .
N3 N 0.1167(4) 0.5086(3) 0.87310(18) 0.0266(16) Uani 1 1 d U . .
N4 N -0.0271(4) 0.4930(3) 0.83266(17) 0.0251(16) Uani 1 1 d U . .
N5 N -0.0621(4) 0.4181(3) 0.93578(17) 0.0273(16) Uani 1 1 d U . .
N6 N 0.0403(4) 0.4247(3) 0.98015(18) 0.0275(16) Uani 1 1 d U . .
N7 N 0.0399(4) 0.4967(3) 0.94559(17) 0.0249(15) Uani 1 1 d U . .
N8 N 0.0649(4) 0.5817(3) 0.93268(18) 0.0275(16) Uani 1 1 d U . .
N9 N -0.0486(4) 0.5502(3) 0.89932(18) 0.0273(16) Uani 1 1 d U . .
N10 N -0.1770(5) 0.5527(3) 0.86966(19) 0.0337(18) Uani 1 1 d U . .
N11 N -0.1522(4) 0.4717(3) 0.88995(18) 0.0272(16) Uani 1 1 d U . .
N12 N -0.1883(4) 0.3924(3) 0.91108(18) 0.0312(17) Uani 1 1 d U . .
N13 N 0.4804(4) 0.4690(3) 0.63453(18) 0.0263(16) Uani 1 1 d U . .
N14 N 0.3527(4) 0.4264(3) 0.59299(17) 0.0272(16) Uani 1 1 d U . .
N15 N 0.2460(4) 0.5043(3) 0.61398(17) 0.0234(15) Uani 1 1 d U . .
N16 N 0.3775(4) 0.5494(3) 0.65378(17) 0.0264(16) Uani 1 1 d U . .
N17 N 0.4793(5) 0.4868(2) 0.55393(17) 0.0251(16) Uani 1 1 d U . .
N18 N 0.6067(5) 0.5078(3) 0.57940(19) 0.0310(17) Uani 1 1 d U . .
N19 N 0.5042(4) 0.5657(3) 0.59460(18) 0.0258(16) Uani 1 1 d U . .
N20 N 0.4492(5) 0.6442(3) 0.6110(2) 0.0347(18) Uani 1 1 d U . .
N21 N 0.3448(5) 0.5942(3) 0.58566(19) 0.0339(18) Uani 1 1 d U . .
N22 N 0.2224(5) 0.5800(3) 0.5532(2) 0.0358(18) Uani 1 1 d U . .
N24 N 0.3878(5) 0.4542(3) 0.51100(18) 0.0312(17) Uani 1 1 d U . .
Cl15 Cl 0.8212(13) 0.2390(7) 0.6406(6) 0.245(8) Uiso 0.547(7) 1 d PD A 1
Cl16 Cl 0.7947(11) 0.3359(7) 0.6118(5) 0.216(6) Uiso 0.547(7) 1 d PD A 1
Cl17 Cl 0.9329(8) 0.3113(5) 0.6596(4) 0.129(3) Uiso 0.547(7) 1 d PD A 1
C79 C 0.8307(12) 0.3024(7) 0.6472(6) 0.194(15) Uani 0.547(7) 1 d PDU A 1
H79 H 0.7971 0.3109 0.6665 0.233 Uiso 0.547(7) 1 calc PR A 1
Cl23 Cl 0.8379(16) 0.2806(11) 0.5990(5) 0.245(8) Uiso 0.453(7) 1 d PD A 2
Cl24 Cl 0.7841(14) 0.2588(9) 0.6667(6) 0.216(6) Uiso 0.453(7) 1 d PD A 2
Cl25 Cl 0.9186(10) 0.3276(6) 0.6562(4) 0.129(3) Uiso 0.453(7) 1 d PD A 2
C79A C 0.8255(14) 0.3047(10) 0.6403(5) 0.194(15) Uani 0.453(7) 1 d PDU A 2
H79A H 0.7870 0.3315 0.6390 0.233 Uiso 0.453(7) 1 calc PR A 2
C68 C -0.1111(6) 0.5727(4) 0.8830(2) 0.032(2) Uani 1 1 d U . .
Cl18 Cl 0.3627(19) 0.6668(12) 0.7992(11) 0.25(2) Uiso 0.274(3) 1 d PD A 1
Cl19 Cl 0.4021(12) 0.5722(7) 0.8309(5) 0.119(6) Uiso 0.274(3) 1 d PD A 1
Cl20 Cl 0.5215(13) 0.6225(9) 0.7921(6) 0.146(8) Uiso 0.274(3) 1 d PD A 1
C80 C 0.4375(15) 0.6303(8) 0.8187(7) 0.065(12) Uani 0.274(3) 1 d PDU A 1
H80 H 0.4561 0.6471 0.8391 0.078 Uiso 0.274(3) 1 calc PR A 1
Cl29 Cl 0.5409(10) 0.6638(8) 0.9832(6) 0.120(8) Uiso 0.226(3) 1 d PD A 2
Cl30 Cl 0.4243(8) 0.5937(5) 0.9577(3) 0.064(4) Uiso 0.226(3) 1 d PD A 2
Cl31 Cl 0.3707(8) 0.6744(5) 0.9988(3) 0.063(4) Uiso 0.226(3) 1 d PD A 2
C82 C 0.4408(11) 0.6560(7) 0.9674(6) 0.17(5) Uani 0.226(3) 1 d PDU A 2
H82 H 0.4332 0.6755 0.9471 0.206 Uiso 0.226(3) 1 calc PR A 2
O95 O 0.6140(12) 0.7044(8) 0.8687(5) 0.163(7) Uiso 1 1 d . . .
Cl26 Cl 0.8179(8) 0.5112(5) 0.6916(3) 0.068(3) Uiso 0.274(3) 1 d PD A 1
Cl27 Cl 0.8121(18) 0.4375(12) 0.6371(8) 0.208(11) Uiso 0.274(3) 1 d PD A 1
Cl28 Cl 0.9595(11) 0.4890(9) 0.6512(6) 0.123(5) Uiso 0.274(3) 1 d PD A 1
C81 C 0.8525(13) 0.4940(11) 0.6508(5) 0.32(8) Uani 0.274(3) 1 d PDU A 1
H81 H 0.8368 0.5191 0.6346 0.386 Uiso 0.274(3) 1 calc PR A 1
Cl32 Cl 0.8211(9) 0.5369(6) 0.6921(4) 0.068(3) Uiso 0.226(3) 1 d PD A 2
Cl33 Cl 0.837(2) 0.4339(9) 0.7045(11) 0.208(11) Uiso 0.226(3) 1 d PD A 2
Cl34 Cl 0.9621(14) 0.4820(10) 0.6661(8) 0.123(5) Uiso 0.226(3) 1 d PD A 2
C81A C 0.8570(16) 0.4812(8) 0.6751(8) 0.32(8) Uani 0.226(3) 1 d PDU A 2
H81A H 0.8274 0.4744 0.6542 0.386 Uiso 0.226(3) 1 calc PR A 2
N23 N 0.3192(5) 0.5155(3) 0.54336(19) 0.0291(17) Uani 1 1 d U . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N4 1.376(12) . ?
C1 C20 1.413(14) . ?
C1 C2 1.437(14) . ?
C1A N15 1.360(12) . ?
C1A C20A 1.422(13) . ?
C1A C2A 1.434(14) . ?
C1B C6B 1.40(2) . ?
C1B C5B 1.42(2) . ?
C1B C2B 1.53(2) . ?
C2 C3 1.336(15) . ?
C2 H2 0.9300 . ?
C2A C3A 1.347(16) . ?
C2A H2A 0.9300 . ?
C2B C9B 1.27(2) . ?
C2B C3B 1.48(2) . ?
C3 C4 1.455(13) . ?
C3 H3 0.9300 . ?
C3A C4A 1.455(15) . ?
C3A H3A 0.9300 . ?
C3B C12B 1.365(19) . ?
C3B C4B 1.43(2) . ?
C4 N4 1.390(12) . ?
C4 C5 1.396(13) . ?
C4A N15 1.367(12) . ?
C4A C5A 1.408(14) . ?
C4B C15B 1.42(2) . ?
C4B C5B 1.45(2) . ?
C5 C6 1.404(13) . ?
C5 C21 1.502(12) . ?
C5A C6A 1.398(14) . ?
C5A C21A 1.517(13) . ?
C5B C18B 1.41(2) . ?
C6 N1 1.355(11) . ?
C6 C7 1.447(14) . ?
C6A N16 1.377(12) . ?
C6A C7A 1.446(14) . ?
C6B C20B 1.38(2) . ?
C6B C7B 1.453(19) . ?
C7 C8 1.334(14) . ?
C7 H7 0.9300 . ?
C7A C8A 1.322(15) . ?
C7A H7A 0.9300 . ?
C7B C8B 1.382(19) . ?
C7B C21B 1.39(2) . ?
C8 C9 1.437(12) . ?
C8 H8 0.9300 . ?
C8A C9A 1.457(14) . ?
C8A H8A 0.9300 . ?
C8B C30B 1.421(17) . ?
C8B C9B 1.59(2) . ?
C9 N1 1.375(11) . ?
C9 C10 1.427(12) . ?
C9A N16 1.347(12) . ?
C9A C10A 1.416(14) . ?
C9B C10B 1.51(2) . ?
C10 C11 1.404(13) . ?
C10 C27 1.467(13) . ?
C10A C11A 1.410(13) . ?
C10A C27A 1.481(14) . ?
C10B C11B 1.38(2) . ?
C10B C29B 1.436(19) . ?
C11 N2 1.366(12) . ?
C11 C12 1.452(13) . ?
C11A N13 1.378(12) . ?
C11A C12A 1.460(14) . ?
C11B C28B 1.45(2) . ?
C11B C12B 1.455(19) . ?
C12 C13 1.348(15) . ?
C12 H12 0.9300 . ?
C12A C13A 1.348(14) . ?
C12A H12A 0.9300 . ?
C12B C13B 1.43(2) . ?
C13 C14 1.448(14) . ?
C13 H13 0.9300 . ?
C13A C14A 1.464(13) . ?
C13A H13A 0.9300 . ?
C13B C14B 1.39(2) . ?
C13B C27B 1.63(3) . ?
C14 C15 1.376(13) . ?
C14 N2 1.386(11) . ?
C14A N13 1.365(12) . ?
C14A C15A 1.411(13) . ?
C14B C15B 1.36(2) . ?
C14B C26B 1.45(2) . ?
C15 C16 1.413(14) . ?
C15 C33 1.520(13) . ?
C15A C16A 1.405(14) . ?
C15A C33A 1.489(13) . ?
C15B C16B 1.53(2) . ?
C16 N3 1.369(12) . ?
C16 C17 1.441(14) . ?
C16A N14 1.378(13) . ?
C16A C17A 1.455(13) . ?
C16B C17B 1.30(3) . ?
C16B C25B 1.45(2) . ?
C17 C18 1.332(15) . ?
C17 H17 0.9300 . ?
C17A C18A 1.368(14) . ?
C17A H17A 0.9300 . ?
C17B C24B 1.44(2) . ?
C17B C18B 1.58(2) . ?
C18 C19 1.450(14) . ?
C18 H18 0.9300 . ?
C18A C19A 1.434(14) . ?
C18A H18A 0.9300 . ?
C18B C19B 1.40(2) . ?
C19 N3 1.387(12) . ?
C19 C20 1.397(14) . ?
C19A N14 1.375(12) . ?
C19A C20A 1.401(13) . ?
C19B C20B 1.419(19) . ?
C19B C23B 1.452(18) . ?
C20 C39 1.514(14) . ?
C20A C39A 1.513(13) . ?
C20B C22B 1.46(2) . ?
C21 C22 1.358(15) . ?
C21 C26 1.386(17) . ?
C21A C26A 1.375(16) . ?
C21A C22A 1.394(16) . ?
C21B C58B 1.34(2) . ?
C21B C22B 1.46(2) . ?
C22 C23 1.375(16) . ?
C22 H22 0.9300 . ?
C22A C23A 1.420(15) . ?
C22A H22A 0.9300 . ?
C22B C59B 1.30(2) . ?
C23 C24 1.353(16) . ?
C23 H23 0.9300 . ?
C23A C24A 1.308(19) . ?
C23A H23A 0.9300 . ?
C23B C60B 1.39(2) . ?
C23B C24B 1.40(2) . ?
C24 C25 1.363(16) . ?
C24 Cl4 1.748(9) . ?
C24A C25A 1.39(2) . ?
C24A Cl8 1.750(12) . ?
C24B C51B 1.391(18) . ?
C25 C26 1.368(18) . ?
C25 H25 0.9300 . ?
C25A C26A 1.384(18) . ?
C25A H25A 0.9300 . ?
C25B C52B 1.366(18) . ?
C25B C26B 1.48(2) . ?
C26 H26 0.9300 . ?
C26A H26A 0.9300 . ?
C26B C53B 1.39(2) . ?
C27 C32 1.382(14) . ?
C27 C28 1.398(14) . ?
C27A C28A 1.388(15) . ?
C27A C32A 1.418(15) . ?
C27B C54B 1.24(3) . ?
C27B C28B 1.46(2) . ?
C28 C29 1.381(14) . ?
C28 H28 0.9300 . ?
C28A C29A 1.411(16) . ?
C28A H28A 0.9300 . ?
C28B C55B 1.389(18) . ?
C29 C30 1.377(15) . ?
C29 H29 0.9300 . ?
C29A C30A 1.401(16) . ?
C29A H29A 0.9300 . ?
C29B C56B 1.393(17) . ?
C29B C30B 1.414(18) . ?
C30 C31 1.373(15) . ?
C30 Cl1 1.751(11) . ?
C30A C31A 1.381(17) . ?
C30A Cl7 1.730(11) . ?
C30B C57B 1.421(18) . ?
C31 C32 1.379(15) . ?
C31 H31 0.9300 . ?
C31A C32A 1.388(16) . ?
C31A H31A 0.9300 . ?
C31B C38B 1.361(19) . ?
C31B C32B 1.41(2) . ?
C31B C35B 1.56(2) . ?
C32 H32 0.9300 . ?
C32A H32A 0.9300 . ?
C32B C50B 1.30(2) . ?
C32B C33B 1.50(2) . ?
C33 C38 1.388(15) . ?
C33 C34 1.418(15) . ?
C33A C34A 1.394(14) . ?
C33A C38A 1.409(14) . ?
C33B C47B 1.35(2) . ?
C33B C34B 1.38(2) . ?
C34 C35 1.403(15) . ?
C34 H34 0.9300 . ?
C34A C35A 1.383(16) . ?
C34A H34A 0.9300 . ?
C34B C44B 1.34(2) . ?
C34B C35B 1.44(2) . ?
C35 C36 1.336(19) . ?
C35 H35 0.9300 . ?
C35A C36A 1.394(19) . ?
C35A H35A 0.9300 . ?
C35B C41B 1.36(2) . ?
C36 C37 1.383(19) . ?
C36 Cl2 1.759(11) . ?
C36A C37A 1.377(19) . ?
C36A Cl6 1.752(12) . ?
C36B C37B 1.408(17) . ?
C36B C51B 1.434(18) . ?
C36B C50B 1.450(19) . ?
C37 C38 1.394(16) . ?
C37 H37 0.9300 . ?
C37A C38A 1.391(16) . ?
C37A H37A 0.9300 . ?
C37B C60B 1.428(18) . ?
C37B C38B 1.436(18) . ?
C38 H38 0.9300 . ?
C38A H38A 0.9300 . ?
C38B C39B 1.417(17) . ?
C39 C44 1.382(16) . ?
C39 C40 1.383(16) . ?
C39A C44A 1.385(14) . ?
C39A C40A 1.390(14) . ?
C39B C40B 1.36(2) . ?
C39B C59B 1.53(2) . ?
C40 C41 1.408(17) . ?
C40 H40 0.9300 . ?
C40A C41A 1.368(16) . ?
C40A H40A 0.9300 . ?
C40B C41B 1.34(2) . ?
C40B C58B 1.46(2) . ?
C41 C42 1.37(2) . ?
C41 H41 0.9300 . ?
C41A C42A 1.369(15) . ?
C41A H41A 0.9300 . ?
C41B C42B 1.52(2) . ?
C42 C43 1.37(2) . ?
C42 Cl3 1.755(13) . ?
C42A C43A 1.391(16) . ?
C42A Cl5 1.736(10) . ?
C42B C43B 1.29(2) . ?
C42B C57B 1.39(2) . ?
C43 C44 1.345(17) . ?
C43 H43 0.9300 . ?
C43A C44A 1.353(15) . ?
C43A H43A 0.9300 . ?
C43B C56B 1.44(2) . ?
C43B C44B 1.65(2) . ?
C44 H44 0.9300 . ?
C44A H44A 0.9300 . ?
C44B C45B 1.463(19) . ?
C45 N12 1.335(12) . ?
C45 N5 1.364(12) . ?
C45 C46 1.466(13) . ?
C45A N18 1.345(13) . ?
C45A N17 1.349(13) . ?
C45A C46A 1.476(14) . ?
C45B C46B 1.332(18) . ?
C45B C55B 1.447(17) . ?
C46 C47 1.373(14) . ?
C46 C51 1.388(14) . ?
C46A C51A 1.362(14) . ?
C46A C47A 1.403(14) . ?
C46B C54B 1.40(3) . ?
C46B C47B 1.56(2) . ?
C47 C48 1.405(16) . ?
C47 H47 0.9300 . ?
C47A C48A 1.401(15) . ?
C47A H47A 0.9300 . ?
C47B C48B 1.47(2) . ?
C48 C49 1.372(16) . ?
C48 H48 0.9300 . ?
C48A C49A 1.375(17) . ?
C48A H48A 0.9300 . ?
C48B C49B 1.34(2) . ?
C48B C53B 1.41(2) . ?
C49 C50 1.375(15) . ?
C49 H49 0.9300 . ?
C49A C50A 1.371(16) . ?
C49A H49A 0.9300 . ?
C49B C52B 1.433(18) . ?
C49B C50B 1.69(2) . ?
C50 C51 1.401(14) . ?
C50 H50 0.9300 . ?
C50A C51A 1.397(14) . ?
C50A H50A 0.9300 . ?
C51 C52 1.469(13) . ?
C51A C52A 1.498(14) . ?
C51B C52B 1.448(17) . ?
C52 N6 1.333(12) . ?
C52 N5 1.388(12) . ?
C52A N24 1.336(13) . ?
C52A N17 1.380(12) . ?
C53 N6 1.326(12) . ?
C53 N7 1.367(12) . ?
C53 C54 1.460(13) . ?
C53A N24 1.308(13) . ?
C53A N23 1.364(12) . ?
C53A C54A 1.491(14) . ?
C53B C54B 1.60(3) . ?
C54 C59 1.387(14) . ?
C54 C55 1.396(14) . ?
C54A C59A 1.376(15) . ?
C54A C55A 1.389(15) . ?
C55 C56 1.391(14) . ?
C55 H55 0.9300 . ?
C55A C56A 1.398(18) . ?
C55A H55A 0.9300 . ?
C55B C56B 1.419(17) . ?
C56 C57 1.378(16) . ?
C56 H56 0.9300 . ?
C56A C57A 1.378(19) . ?
C56A H56A 0.9300 . ?
C57 C58 1.416(15) . ?
C57 H57 0.9300 . ?
C57A C58A 1.390(18) . ?
C57A H57A 0.9300 . ?
C57B C58B 1.45(2) . ?
C58 C59 1.382(14) . ?
C58 H58 0.9300 . ?
C58A C59A 1.393(16) . ?
C58A H58A 0.9300 . ?
C59 C60 1.467(12) . ?
C59A C60A 1.455(15) . ?
C59B C60B 1.59(2) . ?
C60 N8 1.320(12) . ?
C60 N7 1.393(12) . ?
C60A N22 1.344(13) . ?
C60A N23 1.366(13) . ?
C61 N8 1.355(12) . ?
C61 N9 1.369(12) . ?
C61 C62 1.472(13) . ?
C61A N22 1.328(13) . ?
C61A N21 1.366(13) . ?
C61A C62A 1.480(13) . ?
C62 C63 1.378(15) . ?
C62 C67 1.396(14) . ?
C62A C63A 1.387(15) . ?
C62A C67A 1.395(16) . ?
C63 C64 1.387(16) . ?
C63 H63 0.9300 . ?
C63A C64A 1.402(16) . ?
C63A H63A 0.9300 . ?
C64 C65 1.358(18) . ?
C64 H64 0.9300 . ?
C64A C65A 1.373(18) . ?
C64A H64A 0.9300 . ?
C65 C66 1.377(17) . ?
C65 H65 0.9300 . ?
C65A C66A 1.382(17) . ?
C65A H65A 0.9300 . ?
C66 C67 1.405(15) . ?
C66 H66 0.9300 . ?
C66A C67A 1.402(15) . ?
C66A H66A 0.9300 . ?
C67 C68 1.457(15) . ?
C67A C68A 1.463(15) . ?
C68A N20 1.341(13) . ?
C68A N21 1.368(13) . ?
C69 N10 1.319(13) . ?
C69 N11 1.364(13) . ?
C69 C70 1.461(14) . ?
C69A N20 1.335(13) . ?
C69A N19 1.390(12) . ?
C69A C70A 1.462(14) . ?
C70 C75 1.361(15) . ?
C70 C71 1.417(14) . ?
C70A C71A 1.378(16) . ?
C70A C75A 1.390(15) . ?
C71 C72 1.377(16) . ?
C71 H71 0.9300 . ?
C71A C72A 1.398(18) . ?
C71A H71A 0.9300 . ?
C72 C73 1.389(17) . ?
C72 H72 0.9300 . ?
C72A C73A 1.377(19) . ?
C72A H72A 0.9300 . ?
C73 C74 1.375(16) . ?
C73 H73 0.9300 . ?
C73A C74A 1.392(17) . ?
C73A H73A 0.9300 . ?
C74 C75 1.396(14) . ?
C74 H74 0.9300 . ?
C74A C75A 1.373(16) . ?
C74A H74A 0.9300 . ?
C75 C76 1.492(13) . ?
C75A C76A 1.480(13) . ?
C76 N12 1.336(13) . ?
C76 N11 1.345(12) . ?
C76A N18 1.329(13) . ?
C76A N19 1.353(12) . ?
C77 Cl14 1.768(10) . ?
C77 Cl12 1.775(10) . ?
C77 Cl13 1.788(10) . ?
C77 H77 0.9800 . ?
Dy1 N3 2.425(7) . ?
Dy1 N4 2.432(7) . ?
Dy1 N1 2.433(7) . ?
Dy1 N2 2.433(7) . ?
Dy1 N9 2.452(7) . ?
Dy1 N7 2.456(7) . ?
Dy1 N5 2.459(7) . ?
Dy1 N11 2.467(7) . ?
Dy2 N13 2.420(8) . ?
Dy2 N15 2.436(7) . ?
Dy2 N21 2.438(8) . ?
Dy2 N14 2.438(7) . ?
Dy2 N16 2.443(7) . ?
Dy2 N17 2.454(7) . ?
Dy2 N23 2.454(8) . ?
Dy2 N19 2.465(7) . ?
C78 Cl9 1.758(10) . ?
C78 Cl10 1.762(10) . ?
C78 Cl11 1.768(10) . ?
C78 H78 0.9800 . ?
N9 C68 1.370(12) . ?
N10 C68 1.335(13) . ?
Cl15 C79 1.783(11) . ?
Cl16 C79 1.787(10) . ?
Cl17 C79 1.783(11) . ?
C79 H79 0.9800 . ?
Cl23 C79A 1.786(11) . ?
Cl24 C79A 1.786(11) . ?
Cl25 C79A 1.785(11) . ?
C79A H79A 0.9800 . ?
Cl18 C80 1.776(10) . ?
Cl19 C80 1.781(10) . ?
Cl20 C80 1.774(10) . ?
C80 H80 0.9800 . ?
Cl29 C82 1.788(11) . ?
Cl30 C82 1.786(11) . ?
Cl31 C82 1.789(11) . ?
C82 H82 0.9800 . ?
Cl26 C81 1.788(11) . ?
Cl27 C81 1.788(11) . ?
Cl28 C81 1.786(11) . ?
C81 H81 0.9800 . ?
Cl32 C81A 1.789(11) . ?
Cl33 C81A 1.787(11) . ?
Cl34 C81A 1.787(11) . ?
C81A H81A 0.9800 . ?

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
N4 C1 C20 124.2(8) . . ?
N4 C1 C2 110.6(8) . . ?
C20 C1 C2 124.9(9) . . ?
N15 C1A C20A 125.6(8) . . ?
N15 C1A C2A 110.6(8) . . ?
C20A C1A C2A 123.5(9) . . ?
C6B C1B C5B 121.7(12) . . ?
C6B C1B C2B 129.5(13) . . ?
C5B C1B C2B 97.9(14) . . ?
C3 C2 C1 107.5(9) . . ?
C3 C2 H2 126.3 . . ?
C1 C2 H2 126.3 . . ?
C3A C2A C1A 106.7(9) . . ?
C3A C2A H2A 126.7 . . ?
C1A C2A H2A 126.7 . . ?
C9B C2B C3B 113.5(18) . . ?
C9B C2B C1B 115.3(18) . . ?
C3B C2B C1B 116.5(15) . . ?
C2 C3 C4 107.2(9) . . ?
C2 C3 H3 126.4 . . ?
C4 C3 H3 126.4 . . ?
C2A C3A C4A 107.1(9) . . ?
C2A C3A H3A 126.5 . . ?
C4A C3A H3A 126.5 . . ?
C12B C3B C4B 120.1(13) . . ?
C12B C3B C2B 129.9(14) . . ?
C4B C3B C2B 98.9(13) . . ?
N4 C4 C5 125.7(8) . . ?
N4 C4 C3 109.3(8) . . ?
C5 C4 C3 124.7(9) . . ?
N15 C4A C5A 126.3(9) . . ?
N15 C4A C3A 109.0(8) . . ?
C5A C4A C3A 124.5(9) . . ?
C15B C4B C3B 118.2(13) . . ?
C15B C4B C5B 117.7(14) . . ?
C3B C4B C5B 112.6(15) . . ?
C4 C5 C6 126.1(8) . . ?
C4 C5 C21 118.0(8) . . ?
C6 C5 C21 115.1(8) . . ?
C6A C5A C4A 125.9(8) . . ?
C6A C5A C21A 118.8(9) . . ?
C4A C5A C21A 114.8(9) . . ?
C18B C5B C1B 117.7(14) . . ?
C18B C5B C4B 115.7(15) . . ?
C1B C5B C4B 113.2(13) . . ?
N1 C6 C5 126.2(8) . . ?
N1 C6 C7 109.4(8) . . ?
C5 C6 C7 124.2(8) . . ?
N16 C6A C5A 126.9(8) . . ?
N16 C6A C7A 108.7(8) . . ?
C5A C6A C7A 124.1(9) . . ?
C20B C6B C1B 120.0(13) . . ?
C20B C6B C7B 113.5(14) . . ?
C1B C6B C7B 114.1(13) . . ?
C8 C7 C6 107.4(8) . . ?
C8 C7 H7 126.3 . . ?
C6 C7 H7 126.3 . . ?
C8A C7A C6A 108.0(9) . . ?
C8A C7A H7A 126.0 . . ?
C6A C7A H7A 126.0 . . ?
C8B C7B C21B 120.1(13) . . ?
C8B C7B C6B 117.9(14) . . ?
C21B C7B C6B 109.9(13) . . ?
C7 C8 C9 107.1(9) . . ?
C7 C8 H8 126.5 . . ?
C9 C8 H8 126.5 . . ?
C7A C8A C9A 106.7(9) . . ?
C7A C8A H8A 126.7 . . ?
C9A C8A H8A 126.7 . . ?
C7B C8B C30B 121.3(12) . . ?
C7B C8B C9B 124.5(12) . . ?
C30B C8B C9B 100.8(11) . . ?
N1 C9 C10 126.5(7) . . ?
N1 C9 C8 109.4(7) . . ?
C10 C9 C8 123.7(8) . . ?
N16 C9A C10A 126.3(8) . . ?
N16 C9A C8A 109.8(8) . . ?
C10A C9A C8A 123.6(9) . . ?
C2B C9B C10B 121.5(19) . . ?
C2B C9B C8B 118.2(17) . . ?
C10B C9B C8B 109.7(13) . . ?
C11 C10 C9 124.4(8) . . ?
C11 C10 C27 118.0(8) . . ?
C9 C10 C27 117.3(8) . . ?
C11A C10A C9A 124.9(8) . . ?
C11A C10A C27A 118.1(9) . . ?
C9A C10A C27A 116.6(8) . . ?
C11B C10B C29B 121.2(12) . . ?
C11B C10B C9B 123.0(13) . . ?
C29B C10B C9B 103.3(12) . . ?
N2 C11 C10 127.2(8) . . ?
N2 C11 C12 109.9(8) . . ?
C10 C11 C12 122.5(8) . . ?
N13 C11A C10A 125.4(9) . . ?
N13 C11A C12A 109.9(8) . . ?
C10A C11A C12A 124.6(9) . . ?
C10B C11B C28B 119.6(12) . . ?
C10B C11B C12B 117.1(13) . . ?
C28B C11B C12B 112.1(13) . . ?
C13 C12 C11 106.1(9) . . ?
C13 C12 H12 126.9 . . ?
C11 C12 H12 126.9 . . ?
C13A C12A C11A 106.5(8) . . ?
C13A C12A H12A 126.7 . . ?
C11A C12A H12A 126.7 . . ?
C3B C12B C13B 119.8(12) . . ?
C3B C12B C11B 114.7(13) . . ?
C13B C12B C11B 112.7(12) . . ?
C12 C13 C14 108.7(8) . . ?
C12 C13 H13 125.7 . . ?
C14 C13 H13 125.7 . . ?
C12A C13A C14A 107.1(8) . . ?
C12A C13A H13A 126.4 . . ?
C14A C13A H13A 126.4 . . ?
C14B C13B C12B 120.6(14) . . ?
C14B C13B C27B 125.4(14) . . ?
C12B C13B C27B 100.1(13) . . ?
C15 C14 N2 126.3(8) . . ?
C15 C14 C13 125.5(8) . . ?
N2 C14 C13 107.9(8) . . ?
N13 C14A C15A 127.6(8) . . ?
N13 C14A C13A 109.8(7) . . ?
C15A C14A C13A 122.6(8) . . ?
C15B C14B C13B 119.7(14) . . ?
C15B C14B C26B 117.2(15) . . ?
C13B C14B C26B 112.1(16) . . ?
C14 C15 C16 127.0(8) . . ?
C14 C15 C33 116.5(8) . . ?
C16 C15 C33 115.9(8) . . ?
C16A C15A C14A 124.6(9) . . ?
C16A C15A C33A 116.6(8) . . ?
C14A C15A C33A 118.3(8) . . ?
C14B C15B C4B 121.6(13) . . ?
C14B C15B C16B 100.0(14) . . ?
C4B C15B C16B 125.4(14) . . ?
N3 C16 C15 124.6(8) . . ?
N3 C16 C17 109.5(8) . . ?
C15 C16 C17 125.7(8) . . ?
N14 C16A C15A 125.8(8) . . ?
N14 C16A C17A 110.1(8) . . ?
C15A C16A C17A 123.6(9) . . ?
C17B C16B C25B 117.9(18) . . ?
C17B C16B C15B 118.2(17) . . ?
C25B C16B C15B 113.0(15) . . ?
C18 C17 C16 108.4(8) . . ?
C18 C17 H17 125.8 . . ?
C16 C17 H17 125.8 . . ?
C18A C17A C16A 106.0(8) . . ?
C18A C17A H17A 127.0 . . ?
C16A C17A H17A 127.0 . . ?
C16B C17B C24B 119.7(18) . . ?
C16B C17B C18B 116.3(16) . . ?
C24B C17B C18B 111.5(15) . . ?
C17 C18 C19 106.4(9) . . ?
C17 C18 H18 126.8 . . ?
C19 C18 H18 126.8 . . ?
C17A C18A C19A 107.4(8) . . ?
C17A C18A H18A 126.3 . . ?
C19A C18A H18A 126.3 . . ?
C19B C18B C5B 120.6(13) . . ?
C19B C18B C17B 101.0(13) . . ?
C5B C18B C17B 126.3(14) . . ?
N3 C19 C20 125.7(8) . . ?
N3 C19 C18 109.8(8) . . ?
C20 C19 C18 124.3(9) . . ?
N14 C19A C20A 126.4(8) . . ?
N14 C19A C18A 110.4(8) . . ?
C20A C19A C18A 122.9(8) . . ?
C18B C19B C20B 120.6(12) . . ?
C18B C19B C23B 111.2(13) . . ?
C20B C19B C23B 116.9(13) . . ?
C19 C20 C1 126.3(9) . . ?
C19 C20 C39 117.8(9) . . ?
C1 C20 C39 115.6(8) . . ?
C19A C20A C1A 125.0(8) . . ?
C19A C20A C39A 118.5(8) . . ?
C1A C20A C39A 116.2(8) . . ?
C6B C20B C19B 119.5(13) . . ?
C6B C20B C22B 98.9(13) . . ?
C19B C20B C22B 129.3(14) . . ?
C22 C21 C26 115.3(10) . . ?
C22 C21 C5 123.9(9) . . ?
C26 C21 C5 120.1(9) . . ?
C26A C21A C22A 120.2(10) . . ?
C26A C21A C5A 122.7(10) . . ?
C22A C21A C5A 116.9(9) . . ?
C58B C21B C7B 121.5(14) . . ?
C58B C21B C22B 128.3(16) . . ?
C7B C21B C22B 100.7(15) . . ?
C21 C22 C23 122.5(10) . . ?
C21 C22 H22 118.8 . . ?
C23 C22 H22 118.8 . . ?
C21A C22A C23A 119.5(11) . . ?
C21A C22A H22A 120.2 . . ?
C23A C22A H22A 120.2 . . ?
C59B C22B C20B 115.4(17) . . ?
C59B C22B C21B 114.3(18) . . ?
C20B C22B C21B 116.1(16) . . ?
C24 C23 C22 119.5(10) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C24A C23A C22A 119.4(12) . . ?
C24A C23A H23A 120.3 . . ?
C22A C23A H23A 120.3 . . ?
C60B C23B C24B 120.9(12) . . ?
C60B C23B C19B 114.6(12) . . ?
C24B C23B C19B 112.6(13) . . ?
C23 C24 C25 121.2(10) . . ?
C23 C24 Cl4 120.9(8) . . ?
C25 C24 Cl4 117.7(9) . . ?
C23A C24A C25A 121.6(12) . . ?
C23A C24A Cl8 119.8(12) . . ?
C25A C24A Cl8 118.5(10) . . ?
C51B C24B C23B 120.5(13) . . ?
C51B C24B C17B 123.9(14) . . ?
C23B C24B C17B 103.5(13) . . ?
C24 C25 C26 117.2(12) . . ?
C24 C25 H25 121.4 . . ?
C26 C25 H25 121.4 . . ?
C26A C25A C24A 120.9(12) . . ?
C26A C25A H25A 119.6 . . ?
C24A C25A H25A 119.6 . . ?
C52B C25B C16B 124.8(14) . . ?
C52B C25B C26B 118.9(13) . . ?
C16B C25B C26B 103.7(13) . . ?
C25 C26 C21 124.1(12) . . ?
C25 C26 H26 118.0 . . ?
C21 C26 H26 118.0 . . ?
C21A C26A C25A 118.4(12) . . ?
C21A C26A H26A 120.8 . . ?
C25A C26A H26A 120.8 . . ?
C53B C26B C14B 124.6(16) . . ?
C53B C26B C25B 117.7(13) . . ?
C14B C26B C25B 105.9(15) . . ?
C32 C27 C28 117.1(9) . . ?
C32 C27 C10 121.6(8) . . ?
C28 C27 C10 121.3(8) . . ?
C28A C27A C32A 117.3(9) . . ?
C28A C27A C10A 122.6(9) . . ?
C32A C27A C10A 120.0(9) . . ?
C54B C27B C28B 119(2) . . ?
C54B C27B C13B 119.0(19) . . ?
C28B C27B C13B 111.0(15) . . ?
C29 C28 C27 122.2(9) . . ?
C29 C28 H28 118.9 . . ?
C27 C28 H28 118.9 . . ?
C27A C28A C29A 122.6(10) . . ?
C27A C28A H28A 118.7 . . ?
C29A C28A H28A 118.7 . . ?
C55B C28B C11B 119.3(12) . . ?
C55B C28B C27B 123.7(13) . . ?
C11B C28B C27B 104.0(14) . . ?
C30 C29 C28 118.2(10) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
C30A C29A C28A 117.8(11) . . ?
C30A C29A H29A 121.1 . . ?
C28A C29A H29A 121.1 . . ?
C56B C29B C30B 116.9(11) . . ?
C56B C29B C10B 118.5(12) . . ?
C30B C29B C10B 112.0(11) . . ?
C31 C30 C29 121.6(10) . . ?
C31 C30 Cl1 120.1(8) . . ?
C29 C30 Cl1 118.3(8) . . ?
C31A C30A C29A 121.1(10) . . ?
C31A C30A Cl7 120.1(9) . . ?
C29A C30A Cl7 118.9(9) . . ?
C29B C30B C57B 117.8(11) . . ?
C29B C30B C8B 114.1(11) . . ?
C57B C30B C8B 117.7(11) . . ?
C30 C31 C32 119.0(10) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C30A C31A C32A 120.0(10) . . ?
C30A C31A H31A 120.0 . . ?
C32A C31A H31A 120.0 . . ?
C38B C31B C32B 127.9(15) . . ?
C38B C31B C35B 116.4(12) . . ?
C32B C31B C35B 101.5(13) . . ?
C31 C32 C27 121.9(9) . . ?
C31 C32 H32 119.0 . . ?
C27 C32 H32 119.0 . . ?
C31A C32A C27A 121.1(10) . . ?
C31A C32A H32A 119.4 . . ?
C27A C32A H32A 119.4 . . ?
C50B C32B C31B 111.1(17) . . ?
C50B C32B C33B 124.1(16) . . ?
C31B C32B C33B 113.6(15) . . ?
C38 C33 C34 118.9(9) . . ?
C38 C33 C15 121.7(9) . . ?
C34 C33 C15 119.3(9) . . ?
C34A C33A C38A 117.8(9) . . ?
C34A C33A C15A 120.9(8) . . ?
C38A C33A C15A 121.2(9) . . ?
C47B C33B C34B 124.2(14) . . ?
C47B C33B C32B 118.9(14) . . ?
C34B C33B C32B 104.9(14) . . ?
C35 C34 C33 119.4(10) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C35A C34A C33A 122.3(10) . . ?
C35A C34A H34A 118.9 . . ?
C33A C34A H34A 118.9 . . ?
C44B C34B C33B 118.7(15) . . ?
C44B C34B C35B 118.5(17) . . ?
C33B C34B C35B 111.8(15) . . ?
C36 C35 C34 119.5(11) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C34A C35A C36A 117.7(11) . . ?
C34A C35A H35A 121.1 . . ?
C36A C35A H35A 121.1 . . ?
C41B C35B C34B 122.4(16) . . ?
C41B C35B C31B 117.5(13) . . ?
C34B C35B C31B 108.0(15) . . ?
C35 C36 C37 123.1(11) . . ?
C35 C36 Cl2 118.7(10) . . ?
C37 C36 Cl2 118.2(10) . . ?
C37A C36A C35A 122.5(11) . . ?
C37A C36A Cl6 119.3(10) . . ?
C35A C36A Cl6 118.1(11) . . ?
C37B C36B C51B 121.5(11) . . ?
C37B C36B C50B 117.1(12) . . ?
C51B C36B C50B 108.7(11) . . ?
C36 C37 C38 118.4(11) . . ?
C36 C37 H37 120.8 . . ?
C38 C37 H37 120.8 . . ?
C36A C37A C38A 118.5(11) . . ?
C36A C37A H37A 120.7 . . ?
C38A C37A H37A 120.7 . . ?
C36B C37B C60B 117.5(12) . . ?
C36B C37B C38B 117.2(12) . . ?
C60B C37B C38B 114.1(11) . . ?
C33 C38 C37 120.7(11) . . ?
C33 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C37A C38A C33A 121.1(10) . . ?
C37A C38A H38A 119.5 . . ?
C33A C38A H38A 119.5 . . ?
C31B C38B C39B 120.6(12) . . ?
C31B C38B C37B 117.8(12) . . ?
C39B C38B C37B 111.0(11) . . ?
C44 C39 C40 119.0(10) . . ?
C44 C39 C20 121.2(9) . . ?
C40 C39 C20 119.8(9) . . ?
C44A C39A C40A 117.7(9) . . ?
C44A C39A C20A 120.8(8) . . ?
C40A C39A C20A 121.4(8) . . ?
C40B C39B C38B 121.4(13) . . ?
C40B C39B C59B 121.4(13) . . ?
C38B C39B C59B 105.2(12) . . ?
C39 C40 C41 119.1(11) . . ?
C39 C40 H40 120.5 . . ?
C41 C40 H40 120.5 . . ?
C41A C40A C39A 120.9(10) . . ?
C41A C40A H40A 119.5 . . ?
C39A C40A H40A 119.5 . . ?
C41B C40B C39B 121.4(15) . . ?
C41B C40B C58B 109.2(15) . . ?
C39B C40B C58B 117.5(15) . . ?
C42 C41 C40 119.1(12) . . ?
C42 C41 H41 120.5 . . ?
C40 C41 H41 120.5 . . ?
C40A C41A C42A 120.4(10) . . ?
C40A C41A H41A 119.8 . . ?
C42A C41A H41A 119.8 . . ?
C40B C41B C35B 122.6(15) . . ?
C40B C41B C42B 105.9(15) . . ?
C35B C41B C42B 120.6(16) . . ?
C43 C42 C41 121.5(12) . . ?
C43 C42 Cl3 118.7(11) . . ?
C41 C42 Cl3 119.7(11) . . ?
C41A C42A C43A 119.3(9) . . ?
C41A C42A Cl5 121.0(8) . . ?
C43A C42A Cl5 119.7(8) . . ?
C43B C42B C57B 115.3(17) . . ?
C43B C42B C41B 120.7(17) . . ?
C57B C42B C41B 110.8(15) . . ?
C44 C43 C42 119.1(12) . . ?
C44 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C44A C43A C42A 120.1(10) . . ?
C44A C43A H43A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C42B C43B C56B 125.1(17) . . ?
C42B C43B C44B 116.7(15) . . ?
C56B C43B C44B 107.8(13) . . ?
C43 C44 C39 122.2(11) . . ?
C43 C44 H44 118.9 . . ?
C39 C44 H44 118.9 . . ?
C43A C44A C39A 121.6(10) . . ?
C43A C44A H44A 119.2 . . ?
C39A C44A H44A 119.2 . . ?
C34B C44B C45B 122.0(14) . . ?
C34B C44B C43B 120.8(14) . . ?
C45B C44B C43B 102.7(11) . . ?
N12 C45 N5 127.1(9) . . ?
N12 C45 C46 120.8(8) . . ?
N5 C45 C46 111.9(8) . . ?
N18 C45A N17 127.1(9) . . ?
N18 C45A C46A 122.1(9) . . ?
N17 C45A C46A 110.7(8) . . ?
C46B C45B C55B 118.7(12) . . ?
C46B C45B C44B 121.3(12) . . ?
C55B C45B C44B 108.5(11) . . ?
C47 C46 C51 121.8(9) . . ?
C47 C46 C45 132.8(9) . . ?
C51 C46 C45 105.1(8) . . ?
C51A C46A C47A 121.9(9) . . ?
C51A C46A C45A 106.1(8) . . ?
C47A C46A C45A 131.9(10) . . ?
C45B C46B C54B 125.2(15) . . ?
C45B C46B C47B 116.0(13) . . ?
C54B C46B C47B 106.9(14) . . ?
C46 C47 C48 116.4(10) . . ?
C46 C47 H47 121.8 . . ?
C48 C47 H47 121.8 . . ?
C48A C47A C46A 115.0(10) . . ?
C48A C47A H47A 122.5 . . ?
C46A C47A H47A 122.5 . . ?
C33B C47B C48B 124.9(15) . . ?
C33B C47B C46B 117.7(13) . . ?
C48B C47B C46B 105.5(14) . . ?
C49 C48 C47 121.8(10) . . ?
C49 C48 H48 119.1 . . ?
C47 C48 H48 119.1 . . ?
C49A C48A C47A 122.2(10) . . ?
C49A C48A H48A 118.9 . . ?
C47A C48A H48A 118.9 . . ?
C49B C48B C53B 118.8(14) . . ?
C49B C48B C47B 116.4(16) . . ?
C53B C48B C47B 113.7(14) . . ?
C48 C49 C50 121.8(10) . . ?
C48 C49 H49 119.1 . . ?
C50 C49 H49 119.1 . . ?
C50A C49A C48A 122.4(10) . . ?
C50A C49A H49A 118.8 . . ?
C48A C49A H49A 118.8 . . ?
C48B C49B C52B 122.2(13) . . ?
C48B C49B C50B 121.7(13) . . ?
C52B C49B C50B 102.9(10) . . ?
C49 C50 C51 116.8(9) . . ?
C49 C50 H50 121.6 . . ?
C51 C50 H50 121.6 . . ?
C49A C50A C51A 115.8(11) . . ?
C49A C50A H50A 122.1 . . ?
C51A C50A H50A 122.1 . . ?
C32B C50B C36B 128.1(16) . . ?
C32B C50B C49B 113.7(14) . . ?
C36B C50B C49B 105.2(11) . . ?
C46 C51 C50 121.1(9) . . ?
C46 C51 C52 107.0(8) . . ?
C50 C51 C52 131.7(9) . . ?
C46A C51A C50A 122.6(10) . . ?
C46A C51A C52A 106.5(8) . . ?
C50A C51A C52A 130.9(10) . . ?
C24B C51B C36B 118.7(11) . . ?
C24B C51B C52B 116.2(12) . . ?
C36B C51B C52B 112.4(11) . . ?
N6 C52 N5 128.4(8) . . ?
N6 C52 C51 121.7(8) . . ?
N5 C52 C51 109.8(8) . . ?
N24 C52A N17 128.9(8) . . ?
N24 C52A C51A 122.3(8) . . ?
N17 C52A C51A 108.6(8) . . ?
C25B C52B C49B 120.0(12) . . ?
C25B C52B C51B 117.3(12) . . ?
C49B C52B C51B 110.7(11) . . ?
N6 C53 N7 128.2(8) . . ?
N6 C53 C54 121.4(8) . . ?
N7 C53 C54 110.4(8) . . ?
N24 C53A N23 129.7(9) . . ?
N24 C53A C54A 121.8(8) . . ?
N23 C53A C54A 108.4(8) . . ?
C26B C53B C48B 122.2(14) . . ?
C26B C53B C54B 121.0(16) . . ?
C48B C53B C54B 103.5(15) . . ?
C59 C54 C55 121.1(9) . . ?
C59 C54 C53 106.8(8) . . ?
C55 C54 C53 132.1(9) . . ?
C59A C54A C55A 120.5(10) . . ?
C59A C54A C53A 107.1(8) . . ?
C55A C54A C53A 132.3(10) . . ?
C27B C54B C46B 120(2) . . ?
C27B C54B C53B 117(2) . . ?
C46B C54B C53B 110.4(17) . . ?
C56 C55 C54 117.5(10) . . ?
C56 C55 H55 121.3 . . ?
C54 C55 H55 121.3 . . ?
C54A C55A C56A 117.9(11) . . ?
C54A C55A H55A 121.1 . . ?
C56A C55A H55A 121.1 . . ?
C28B C55B C56B 120.3(11) . . ?
C28B C55B C45B 113.6(11) . . ?
C56B C55B C45B 114.2(11) . . ?
C57 C56 C55 121.1(9) . . ?
C57 C56 H56 119.4 . . ?
C55 C56 H56 119.4 . . ?
C57A C56A C55A 120.6(11) . . ?
C57A C56A H56A 119.7 . . ?
C55A C56A H56A 119.7 . . ?
C29B C56B C55B 121.1(11) . . ?
C29B C56B C43B 119.9(12) . . ?
C55B C56B C43B 106.8(11) . . ?
C56 C57 C58 121.7(9) . . ?
C56 C57 H57 119.1 . . ?
C58 C57 H57 119.1 . . ?
C56A C57A C58A 122.2(12) . . ?
C56A C57A H57A 118.9 . . ?
C58A C57A H57A 118.9 . . ?
C42B C57B C30B 124.8(14) . . ?
C42B C57B C58B 103.8(13) . . ?
C30B C57B C58B 118.8(12) . . ?
C59 C58 C57 116.4(10) . . ?
C59 C58 H58 121.8 . . ?
C57 C58 H58 121.8 . . ?
C57A C58A C59A 116.3(12) . . ?
C57A C58A H58A 121.8 . . ?
C59A C58A H58A 121.8 . . ?
C21B C58B C57B 120.6(13) . . ?
C21B C58B C40B 117.2(15) . . ?
C57B C58B C40B 110.1(15) . . ?
C58 C59 C54 122.0(9) . . ?
C58 C59 C60 131.9(9) . . ?
C54 C59 C60 106.0(8) . . ?
C54A C59A C58A 122.4(10) . . ?
C54A C59A C60A 105.3(9) . . ?
C58A C59A C60A 131.8(10) . . ?
C22B C59B C39B 121.2(17) . . ?
C22B C59B C60B 117.8(17) . . ?
C39B C59B C60B 108.2(13) . . ?
N8 C60 N7 128.4(8) . . ?
N8 C60 C59 121.8(8) . . ?
N7 C60 C59 109.6(8) . . ?
N22 C60A N23 128.3(9) . . ?
N22 C60A C59A 120.3(9) . . ?
N23 C60A C59A 111.1(8) . . ?
C23B C60B C37B 120.9(11) . . ?
C23B C60B C59B 125.6(12) . . ?
C37B C60B C59B 101.4(12) . . ?
N8 C61 N9 129.1(8) . . ?
N8 C61 C62 120.3(8) . . ?
N9 C61 C62 110.5(8) . . ?
N22 C61A N21 129.2(9) . . ?
N22 C61A C62A 119.2(9) . . ?
N21 C61A C62A 111.2(8) . . ?
C63 C62 C67 121.1(9) . . ?
C63 C62 C61 133.8(9) . . ?
C67 C62 C61 105.1(8) . . ?
C63A C62A C67A 122.8(10) . . ?
C63A C62A C61A 132.3(10) . . ?
C67A C62A C61A 104.8(9) . . ?
C62 C63 C64 117.5(11) . . ?
C62 C63 H63 121.3 . . ?
C64 C63 H63 121.3 . . ?
C62A C63A C64A 115.8(11) . . ?
C62A C63A H63A 122.1 . . ?
C64A C63A H63A 122.1 . . ?
C65 C64 C63 122.1(11) . . ?
C65 C64 H64 119.0 . . ?
C63 C64 H64 119.0 . . ?
C65A C64A C63A 121.8(10) . . ?
C65A C64A H64A 119.1 . . ?
C63A C64A H64A 119.1 . . ?
C64 C65 C66 121.5(11) . . ?
C64 C65 H65 119.2 . . ?
C66 C65 H65 119.2 . . ?
C64A C65A C66A 122.4(11) . . ?
C64A C65A H65A 118.8 . . ?
C66A C65A H65A 118.8 . . ?
C65 C66 C67 117.6(11) . . ?
C65 C66 H66 121.2 . . ?
C67 C66 H66 121.2 . . ?
C65A C66A C67A 117.0(11) . . ?
C65A C66A H66A 121.5 . . ?
C67A C66A H66A 121.5 . . ?
C62 C67 C66 120.2(10) . . ?
C62 C67 C68 107.0(8) . . ?
C66 C67 C68 132.8(10) . . ?
C62A C67A C66A 120.1(10) . . ?
C62A C67A C68A 106.5(9) . . ?
C66A C67A C68A 133.3(11) . . ?
N20 C68A N21 127.8(9) . . ?
N20 C68A C67A 121.1(9) . . ?
N21 C68A C67A 110.9(9) . . ?
N10 C69 N11 128.7(9) . . ?
N10 C69 C70 121.8(9) . . ?
N11 C69 C70 109.3(9) . . ?
N20 C69A N19 127.9(9) . . ?
N20 C69A C70A 122.3(9) . . ?
N19 C69A C70A 109.7(8) . . ?
C75 C70 C71 120.8(9) . . ?
C75 C70 C69 107.5(8) . . ?
C71 C70 C69 131.6(9) . . ?
C71A C70A C75A 121.8(10) . . ?
C71A C70A C69A 131.5(10) . . ?
C75A C70A C69A 106.7(8) . . ?
C72 C71 C70 116.7(10) . . ?
C72 C71 H71 121.7 . . ?
C70 C71 H71 121.7 . . ?
C70A C71A C72A 117.0(12) . . ?
C70A C71A H71A 121.5 . . ?
C72A C71A H71A 121.5 . . ?
C71 C72 C73 121.2(10) . . ?
C71 C72 H72 119.4 . . ?
C73 C72 H72 119.4 . . ?
C73A C72A C71A 121.0(11) . . ?
C73A C72A H72A 119.5 . . ?
C71A C72A H72A 119.5 . . ?
C74 C73 C72 122.6(10) . . ?
C74 C73 H73 118.7 . . ?
C72 C73 H73 118.7 . . ?
C72A C73A C74A 121.4(12) . . ?
C72A C73A H73A 119.3 . . ?
C74A C73A H73A 119.3 . . ?
C73 C74 C75 115.8(11) . . ?
C73 C74 H74 122.1 . . ?
C75 C74 H74 122.1 . . ?
C75A C74A C73A 117.7(12) . . ?
C75A C74A H74A 121.2 . . ?
C73A C74A H74A 121.2 . . ?
C70 C75 C74 122.8(9) . . ?
C70 C75 C76 105.1(8) . . ?
C74 C75 C76 132.0(10) . . ?
C74A C75A C70A 121.0(10) . . ?
C74A C75A C76A 133.5(10) . . ?
C70A C75A C76A 105.5(8) . . ?
N12 C76 N11 129.6(8) . . ?
N12 C76 C75 120.3(8) . . ?
N11 C76 C75 109.8(8) . . ?
N18 C76A N19 128.8(8) . . ?
N18 C76A C75A 120.3(8) . . ?
N19 C76A C75A 110.6(8) . . ?
Cl14 C77 Cl12 110.8(7) . . ?
Cl14 C77 Cl13 108.2(8) . . ?
Cl12 C77 Cl13 107.3(8) . . ?
Cl14 C77 H77 110.2 . . ?
Cl12 C77 H77 110.2 . . ?
Cl13 C77 H77 110.2 . . ?
N3 Dy1 N4 73.5(2) . . ?
N3 Dy1 N1 115.1(2) . . ?
N4 Dy1 N1 74.1(2) . . ?
N3 Dy1 N2 74.3(3) . . ?
N4 Dy1 N2 118.5(2) . . ?
N1 Dy1 N2 74.4(2) . . ?
N3 Dy1 N9 81.0(3) . . ?
N4 Dy1 N9 79.1(2) . . ?
N1 Dy1 N9 142.3(2) . . ?
N2 Dy1 N9 142.8(2) . . ?
N3 Dy1 N7 81.3(2) . . ?
N4 Dy1 N7 141.8(2) . . ?
N1 Dy1 N7 143.7(2) . . ?
N2 Dy1 N7 80.1(2) . . ?
N9 Dy1 N7 68.8(2) . . ?
N3 Dy1 N5 143.2(2) . . ?
N4 Dy1 N5 142.9(2) . . ?
N1 Dy1 N5 81.0(2) . . ?
N2 Dy1 N5 79.4(2) . . ?
N9 Dy1 N5 106.7(2) . . ?
N7 Dy1 N5 69.1(2) . . ?
N3 Dy1 N11 143.4(3) . . ?
N4 Dy1 N11 80.2(2) . . ?
N1 Dy1 N11 80.3(2) . . ?
N2 Dy1 N11 141.9(3) . . ?
N9 Dy1 N11 69.3(2) . . ?
N7 Dy1 N11 106.1(2) . . ?
N5 Dy1 N11 68.7(2) . . ?
N13 Dy2 N15 115.0(2) . . ?
N13 Dy2 N21 139.7(3) . . ?
N15 Dy2 N21 81.8(2) . . ?
N13 Dy2 N14 74.1(2) . . ?
N15 Dy2 N14 73.5(2) . . ?
N21 Dy2 N14 145.3(3) . . ?
N13 Dy2 N16 73.6(2) . . ?
N15 Dy2 N16 74.9(2) . . ?
N21 Dy2 N16 76.6(3) . . ?
N14 Dy2 N16 118.4(2) . . ?
N13 Dy2 N17 83.4(2) . . ?
N15 Dy2 N17 140.3(2) . . ?
N21 Dy2 N17 107.1(2) . . ?
N14 Dy2 N17 79.1(2) . . ?
N16 Dy2 N17 144.6(3) . . ?
N13 Dy2 N23 146.9(2) . . ?
N15 Dy2 N23 78.2(2) . . ?
N21 Dy2 N23 69.4(3) . . ?
N14 Dy2 N23 81.8(2) . . ?
N16 Dy2 N23 139.0(2) . . ?
N17 Dy2 N23 69.8(2) . . ?
N13 Dy2 N19 80.0(2) . . ?
N15 Dy2 N19 146.2(2) . . ?
N21 Dy2 N19 69.3(3) . . ?
N14 Dy2 N19 140.0(2) . . ?
N16 Dy2 N19 81.5(2) . . ?
N17 Dy2 N19 67.9(2) . . ?
N23 Dy2 N19 106.1(2) . . ?
Cl9 C78 Cl10 103.3(8) . . ?
Cl9 C78 Cl11 116.6(8) . . ?
Cl10 C78 Cl11 113.8(7) . . ?
Cl9 C78 H78 107.6 . . ?
Cl10 C78 H78 107.6 . . ?
Cl11 C78 H78 107.6 . . ?
C6 N1 C9 106.6(7) . . ?
C6 N1 Dy1 124.5(6) . . ?
C9 N1 Dy1 123.0(5) . . ?
C11 N2 C14 107.3(7) . . ?
C11 N2 Dy1 125.6(6) . . ?
C14 N2 Dy1 125.6(6) . . ?
C16 N3 C19 105.6(7) . . ?
C16 N3 Dy1 124.0(6) . . ?
C19 N3 Dy1 123.3(6) . . ?
C1 N4 C4 105.3(7) . . ?
C1 N4 Dy1 127.0(5) . . ?
C4 N4 Dy1 125.4(6) . . ?
C45 N5 C52 106.1(7) . . ?
C45 N5 Dy1 125.3(6) . . ?
C52 N5 Dy1 125.0(6) . . ?
C53 N6 C52 122.4(8) . . ?
C53 N7 C60 106.9(7) . . ?
C53 N7 Dy1 124.6(6) . . ?
C60 N7 Dy1 121.0(5) . . ?
C60 N8 C61 120.8(8) . . ?
C61 N9 C68 107.2(8) . . ?
C61 N9 Dy1 122.8(6) . . ?
C68 N9 Dy1 126.0(6) . . ?
C69 N10 C68 122.6(8) . . ?
C76 N11 C69 108.0(7) . . ?
C76 N11 Dy1 122.9(6) . . ?
C69 N11 Dy1 124.2(6) . . ?
C45 N12 C76 121.7(8) . . ?
C14A N13 C11A 106.3(7) . . ?
C14A N13 Dy2 123.0(5) . . ?
C11A N13 Dy2 123.4(6) . . ?
C19A N14 C16A 106.0(7) . . ?
C19A N14 Dy2 125.8(6) . . ?
C16A N14 Dy2 126.2(6) . . ?
C1A N15 C4A 106.5(7) . . ?
C1A N15 Dy2 123.6(6) . . ?
C4A N15 Dy2 122.8(6) . . ?
C9A N16 C6A 106.8(7) . . ?
C9A N16 Dy2 126.6(6) . . ?
C6A N16 Dy2 125.5(6) . . ?
C45A N17 C52A 107.6(7) . . ?
C45A N17 Dy2 122.4(6) . . ?
C52A N17 Dy2 123.4(6) . . ?
C76A N18 C45A 121.3(8) . . ?
C76A N19 C69A 107.2(7) . . ?
C76A N19 Dy2 121.7(6) . . ?
C69A N19 Dy2 125.4(6) . . ?
C69A N20 C68A 122.5(8) . . ?
C61A N21 C68A 106.4(8) . . ?
C61A N21 Dy2 122.5(6) . . ?
C68A N21 Dy2 126.6(6) . . ?
C61A N22 C60A 121.3(9) . . ?
C53A N24 C52A 122.1(8) . . ?
Cl15 C79 Cl17 105.1(11) . . ?
Cl15 C79 Cl16 111.4(12) . . ?
Cl17 C79 Cl16 117.3(13) . . ?
Cl15 C79 H79 107.6 . . ?
Cl17 C79 H79 107.6 . . ?
Cl16 C79 H79 107.6 . . ?
Cl25 C79A Cl23 110.5(12) . . ?
Cl25 C79A Cl24 112.5(12) . . ?
Cl23 C79A Cl24 108.8(12) . . ?
Cl25 C79A H79A 108.3 . . ?
Cl23 C79A H79A 108.3 . . ?
Cl24 C79A H79A 108.3 . . ?
N10 C68 N9 128.1(9) . . ?
N10 C68 C67 121.7(9) . . ?
N9 C68 C67 110.1(8) . . ?
Cl20 C80 Cl18 111.1(13) . . ?
Cl20 C80 Cl19 108.4(12) . . ?
Cl18 C80 Cl19 113.6(13) . . ?
Cl20 C80 H80 107.9 . . ?
Cl18 C80 H80 107.9 . . ?
Cl19 C80 H80 107.9 . . ?
Cl30 C82 Cl29 109.6(12) . . ?
Cl30 C82 Cl31 109.0(11) . . ?
Cl29 C82 Cl31 109.4(12) . . ?
Cl30 C82 H82 109.6 . . ?
Cl29 C82 H82 109.6 . . ?
Cl31 C82 H82 109.6 . . ?
Cl28 C81 Cl27 107.9(12) . . ?
Cl28 C81 Cl26 109.9(12) . . ?
Cl27 C81 Cl26 112.8(13) . . ?
Cl28 C81 H81 108.7 . . ?
Cl27 C81 H81 108.7 . . ?
Cl26 C81 H81 108.7 . . ?
Cl34 C81A Cl33 109.2(13) . . ?
Cl34 C81A Cl32 113.3(13) . . ?
Cl33 C81A Cl32 108.6(13) . . ?
Cl34 C81A H81A 108.6 . . ?
Cl33 C81A H81A 108.6 . . ?
Cl32 C81A H81A 108.6 . . ?
C53A N23 C60A 107.6(8) . . ?
C53A N23 Dy2 125.6(6) . . ?
C60A N23 Dy2 122.9(6) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        60.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.393
_refine_diff_density_min         -1.749
_refine_diff_density_rms         0.194

_database_code_depnum_ccdc_archive 'CCDC 978330'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_qq

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C136 H40 Cl4 Dy N12 O0'
_chemical_formula_weight         2146.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  ' -C 2yc  '


loop_
_symmetry_equiv_pos_as_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                   22.5698(4)
_cell_length_b                   15.6246(2)
_cell_length_c                   24.1908(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.681(2)
_cell_angle_gamma                90.00
_cell_volume                     8472.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    6425
_cell_measurement_theta_min      3.4451
_cell_measurement_theta_max      67.0421

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4296
_exptl_absorpt_coefficient_mu    6.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.359
_exptl_absorpt_correction_T_max  0.524
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2141
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14702
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.45
_diffrn_reflns_theta_max         67.15
_reflns_number_total             7369
_reflns_number_gt                6900
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1062P)²+265.4611P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7369
_refine_ls_number_parameters     961
_refine_ls_number_restraints     6341
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.1312
_refine_ls_wR_factor_gt          0.1268
_refine_ls_goodness_of_fit_ref   0.604
_refine_ls_restrained_S_all      0.533
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C8 C 0.00240(17) 0.1790(2) 0.62385(16) 0.0156(7) Uani 1 1 d U . .
C7 C -0.03613(18) 0.1669(3) 0.57237(16) 0.0198(8) Uani 1 1 d U . .
H7 H -0.0241 0.1578 0.5373 0.024 Uiso 1 1 calc R . .
C6 C -0.09271(17) 0.1712(3) 0.58479(16) 0.0183(8) Uani 1 1 d U . .
H6 H -0.1271 0.1651 0.5599 0.022 Uiso 1 1 calc R . .
C5 C -0.09031(16) 0.1872(2) 0.64411(15) 0.0155(7) Uani 1 1 d U . .
C4 C -0.14010(16) 0.1879(2) 0.67393(16) 0.0158(7) Uani 1 1 d U . .
C3 C -0.13848(17) 0.1887(2) 0.73216(16) 0.0170(8) Uani 1 1 d U . .
C2 C -0.18904(17) 0.1767(3) 0.76280(16) 0.0194(8) Uani 1 1 d U . .
H2 H -0.2288 0.1743 0.7478 0.023 Uiso 1 1 calc R . .
C10 C 0.10411(17) 0.1802(2) 0.67876(16) 0.0160(7) Uani 1 1 d U . .
C9 C 0.06486(17) 0.1713(2) 0.62893(15) 0.0158(7) Uani 1 1 d U . .
C11 C -0.20000(17) 0.1813(3) 0.63985(16) 0.0180(8) Uani 1 1 d U . .
C12 C -0.21735(18) 0.2435(3) 0.60005(17) 0.0233(8) Uani 1 1 d U . .
H12 H -0.1922 0.2897 0.5962 0.028 Uiso 1 1 calc R . .
C13 C -0.27112(19) 0.2385(3) 0.56604(19) 0.0280(9) Uani 1 1 d U . .
H13 H -0.2824 0.2815 0.5404 0.034 Uiso 1 1 calc R . .
C14 C -0.30720(18) 0.1693(3) 0.57089(18) 0.0269(9) Uani 1 1 d U . .
C15 C -0.29304(18) 0.1075(3) 0.61086(18) 0.0267(9) Uani 1 1 d U . .
H15 H -0.3192 0.0625 0.6149 0.032 Uiso 1 1 calc R . .
C16 C -0.23909(17) 0.1132(3) 0.64513(17) 0.0214(8) Uani 1 1 d U . .
H16 H -0.2290 0.0712 0.6718 0.026 Uiso 1 1 calc R . .
C17 C 0.09168(16) 0.1399(3) 0.57871(15) 0.0166(7) Uani 1 1 d U . .
C18 C 0.13392(18) 0.1860(3) 0.55370(17) 0.0223(8) Uani 1 1 d U . .
H18 H 0.1433 0.2414 0.5659 0.027 Uiso 1 1 calc R . .
C19 C 0.16253(18) 0.1519(3) 0.51103(17) 0.0227(8) Uani 1 1 d U . .
H19 H 0.1910 0.1837 0.4951 0.027 Uiso 1 1 calc R . .
C20 C 0.14819(17) 0.0702(3) 0.49260(16) 0.0203(8) Uani 1 1 d U . .
C21 C 0.10434(18) 0.0240(3) 0.51458(17) 0.0232(8) Uani 1 1 d U . .
H21 H 0.0938 -0.0303 0.5010 0.028 Uiso 1 1 calc R . .
C22 C 0.07633(18) 0.0593(3) 0.55697(17) 0.0217(8) Uani 1 1 d U . .
H22 H 0.0464 0.0284 0.5714 0.026 Uiso 1 1 calc R . .
C23 C 0.00732(17) 0.3811(2) 0.62738(15) 0.0153(7) Uani 1 1 d U . .
C24 C 0.04943(16) 0.3916(2) 0.58638(16) 0.0155(7) Uani 1 1 d U . .
C25 C 0.04186(18) 0.4033(3) 0.52914(17) 0.0213(8) Uani 1 1 d U . .
H25 H 0.0041 0.4042 0.5090 0.026 Uiso 1 1 calc R . .
C26 C 0.09323(19) 0.4138(3) 0.50313(17) 0.0251(9) Uani 1 1 d U . .
H26 H 0.0896 0.4219 0.4648 0.030 Uiso 1 1 calc R . .
C27 C 0.15035(18) 0.4124(3) 0.53307(17) 0.0220(8) Uani 1 1 d U . .
H27 H 0.1838 0.4189 0.5143 0.026 Uiso 1 1 calc R . .
C28 C 0.15750(17) 0.4014(3) 0.59072(16) 0.0180(8) Uani 1 1 d U . .
H28 H 0.1951 0.4011 0.6110 0.022 Uiso 1 1 calc R . .
C29 C 0.10651(17) 0.3909(2) 0.61647(16) 0.0164(7) Uani 1 1 d U . .
C30 C 0.09641(16) 0.3796(2) 0.67495(15) 0.0149(7) Uani 1 1 d U . .
C31 C 0.13052(16) 0.3919(2) 0.76921(16) 0.0153(7) Uani 1 1 d U . .
C32 C 0.17623(16) 0.4252(2) 0.81205(16) 0.0165(7) Uani 1 1 d U . .
C33 C 0.23413(17) 0.4519(3) 0.81020(17) 0.0209(8) Uani 1 1 d U . .
H33 H 0.2517 0.4507 0.7773 0.025 Uiso 1 1 calc R . .
C34 C 0.26547(18) 0.4811(3) 0.85996(18) 0.0266(9) Uani 1 1 d U . .
H34 H 0.3050 0.4983 0.8606 0.032 Uiso 1 1 calc R . .
C35 C 0.23817(18) 0.4847(3) 0.90830(18) 0.0251(9) Uani 1 1 d U . .
H35 H 0.2600 0.5046 0.9407 0.030 Uiso 1 1 calc R . .
C36 C 0.17958(18) 0.4597(3) 0.91022(16) 0.0209(8) Uani 1 1 d U . .
H36 H 0.1614 0.4637 0.9427 0.025 Uiso 1 1 calc R . .
C37 C 0.14941(16) 0.4283(2) 0.86080(16) 0.0168(7) Uani 1 1 d U . .
C38 C 0.08908(16) 0.3947(2) 0.84724(15) 0.0142(7) Uani 1 1 d U . .
N1 N -0.08708(13) 0.1948(2) 0.76933(13) 0.0149(6) Uani 1 1 d U . .
N2 N -0.03165(13) 0.1941(2) 0.66683(13) 0.0145(6) Uani 1 1 d U . .
N3 N 0.05102(14) 0.3923(2) 0.88564(13) 0.0149(6) Uani 1 1 d U . .
N4 N 0.03708(13) 0.3690(2) 0.67944(13) 0.0153(6) Uani 1 1 d U . .
N5 N 0.14070(13) 0.3891(2) 0.71624(13) 0.0151(6) Uani 1 1 d U . .
N6 N 0.07962(14) 0.3721(2) 0.79204(13) 0.0160(6) Uani 1 1 d U . .
Dy1 Dy 0.0000 0.275524(18) 0.7500 0.01200(10) Uani 1 2 d SU . .
Cl1 Cl 0.18842(4) 0.02168(7) 0.44380(4) 0.0282(2) Uani 1 1 d U . .
Cl2 Cl -0.37271(5) 0.15939(9) 0.52456(5) 0.0393(3) Uani 1 1 d U . .
C1 C -0.16819(17) 0.1696(3) 0.81709(17) 0.0197(8) Uani 1 1 d U . .
H1 H -0.1907 0.1597 0.8463 0.024 Uiso 1 1 calc R . .
C41 C 0.1020(6) 0.7847(6) 0.6500(6) 0.0451(16) Uani 0.506(4) 1 d PDU A 1
C42 C 0.0669(5) 0.7093(7) 0.6352(6) 0.0462(17) Uani 0.506(4) 1 d PDU A 1
C43 C 0.0826(5) 0.6426(8) 0.6760(5) 0.0481(17) Uani 0.506(4) 1 d PDU A 1
C44 C 0.1294(5) 0.6772(6) 0.7169(4) 0.0479(16) Uani 0.506(4) 1 d PDU A 1
C45 C 0.1410(5) 0.7651(5) 0.7003(4) 0.0449(17) Uani 0.506(4) 1 d PDU A 1
C46 C 0.0758(4) 0.8642(6) 0.6412(5) 0.0430(16) Uani 0.506(4) 1 d PDU A 1
C47 C 0.0148(4) 0.8703(6) 0.6168(5) 0.0471(17) Uani 0.506(4) 1 d PDU A 1
C48 C -0.0117(4) 0.9407(6) 0.6445(5) 0.0501(18) Uani 0.506(4) 1 d PDU A 1
C49 C 0.0277(5) 0.9766(9) 0.6843(5) 0.0445(19) Uani 0.506(4) 1 d PDU A 1
C50 C 0.0863(5) 0.9315(8) 0.6827(5) 0.0477(17) Uani 0.506(4) 1 d PDU A 1
C51 C 0.1522(4) 0.8295(5) 0.7380(4) 0.0490(16) Uani 0.506(4) 1 d PDU A 1
C52 C 0.1237(5) 0.9138(6) 0.7295(4) 0.0471(17) Uani 0.506(4) 1 d PDU A 1
C53 C 0.1549(5) 0.8032(7) 0.7960(4) 0.0464(19) Uani 0.506(4) 1 d PDU A 1
C54 C 0.1454(6) 0.7224(8) 0.8127(5) 0.048(2) Uani 0.506(4) 1 d PDU . 1
C55 C 0.1302(5) 0.6543(7) 0.7712(4) 0.0516(18) Uani 0.506(4) 1 d PDU A 1
C56 C 0.0745(4) 0.5963(8) 0.7897(4) 0.0518(19) Uani 0.506(4) 1 d PDU . 1
C57 C 0.0336(3) 0.5687(7) 0.7521(4) 0.0487(19) Uani 0.506(4) 1 d PDU . 1
C58 C 0.0390(4) 0.5892(8) 0.6934(4) 0.0469(18) Uani 0.506(4) 1 d PDU A 1
C59 C -0.0221(5) 0.5958(7) 0.6739(4) 0.0533(18) Uani 0.506(4) 1 d PDU . 1
C60 C -0.0371(4) 0.6596(6) 0.6309(5) 0.0533(18) Uani 0.506(4) 1 d PDU A 1
C61 C 0.0070(4) 0.7168(6) 0.6132(5) 0.0468(17) Uani 0.506(4) 1 d PDU A 1
C62 C -0.0199(4) 0.7991(6) 0.6037(5) 0.0487(17) Uani 0.506(4) 1 d PDU A 1
C63 C -0.0813(5) 0.7973(6) 0.6189(6) 0.0480(19) Uani 0.506(4) 1 d PDU A 1
C64 C -0.1011(5) 0.8698(8) 0.6438(5) 0.059(2) Uani 0.506(4) 1 d PDU . 1
C65 C -0.0629(5) 0.9432(7) 0.6560(4) 0.061(2) Uani 0.506(4) 1 d PDU . 1
C66 C 0.1163(6) 0.9437(7) 0.7798(4) 0.058(2) Uani 0.506(4) 1 d PDU A 1
C67 C 0.0636(5) 0.9820(7) 0.7905(5) 0.053(2) Uani 0.506(4) 1 d PDU . 1
C68 C 0.0188(6) 1.0058(7) 0.7376(5) 0.0411(19) Uani 0.506(4) 1 d PDU . 1
C69 C 0.1343(5) 0.8743(7) 0.8217(4) 0.053(2) Uani 0.506(4) 1 d PDU . 1
C70 C -0.0920(5) 0.7082(8) 0.6320(6) 0.055(2) Uani 0.506(4) 1 d PDU . 1
C41' C 0.0984(6) 0.7799(7) 0.6466(7) 0.0460(16) Uani 0.494(4) 1 d PDU A 2
C42' C 0.0634(5) 0.8551(7) 0.6319(5) 0.0441(16) Uani 0.494(4) 1 d PDU A 2
C43' C 0.0813(6) 0.9204(8) 0.6730(5) 0.0472(17) Uani 0.494(4) 1 d PDU A 2
C44' C 0.1283(5) 0.8831(7) 0.7125(4) 0.0511(17) Uani 0.494(4) 1 d PDU A 2
C45' C 0.1393(5) 0.7972(7) 0.6969(5) 0.0451(16) Uani 0.494(4) 1 d PDU A 2
C46' C 0.0718(5) 0.7002(7) 0.6389(7) 0.0462(16) Uani 0.494(4) 1 d PDU A 2
C47' C 0.0097(4) 0.6918(6) 0.6159(5) 0.0475(17) Uani 0.494(4) 1 d PDU A 2
C48' C -0.0185(4) 0.6229(6) 0.6438(4) 0.0440(18) Uani 0.494(4) 1 d PDU A 2
C49' C 0.0269(5) 0.5857(8) 0.6790(4) 0.0476(18) Uani 0.494(4) 1 d PDU A 2
C50' C 0.0834(5) 0.6326(10) 0.6799(5) 0.0490(17) Uani 0.494(4) 1 d PDU A 2
C51' C 0.1483(5) 0.7271(7) 0.7375(4) 0.0469(16) Uani 0.494(4) 1 d PDU A 2
C52' C 0.1198(5) 0.6450(7) 0.7295(4) 0.0488(17) Uani 0.494(4) 1 d PDU A 2
C53' C 0.1031(4) 0.6153(6) 0.7831(4) 0.0427(17) Uani 0.494(4) 1 d PDU . 2
C54' C 0.1239(6) 0.6827(8) 0.8236(4) 0.0522(19) Uani 0.494(4) 1 d PDU . 2
C55' C 0.1515(6) 0.7510(8) 0.7960(5) 0.0475(19) Uani 0.494(4) 1 d PDU . 2
C56' C 0.0033(4) 0.8454(6) 0.6100(5) 0.0456(17) Uani 0.494(4) 1 d PDU A 2
C57' C -0.0235(4) 0.7631(6) 0.6015(5) 0.0483(17) Uani 0.494(4) 1 d PDU A 2
C58' C -0.0845(5) 0.7659(6) 0.6159(6) 0.0454(19) Uani 0.494(4) 1 d PDU A 2
C59' C -0.0956(5) 0.8501(8) 0.6317(7) 0.056(2) Uani 0.494(4) 1 d PDU . 2
C60' C -0.0403(5) 0.9030(6) 0.6267(5) 0.0481(18) Uani 0.494(4) 1 d PDU A 2
C61' C 0.1446(6) 0.8349(9) 0.8086(6) 0.047(2) Uani 0.494(4) 1 d PU . 2
C62' C -0.0755(5) 0.6282(7) 0.6590(5) 0.0533(19) Uani 0.494(4) 1 d PDU . 2
C63' C -0.1096(5) 0.7050(9) 0.6455(6) 0.052(2) Uani 0.494(4) 1 d PDU . 2
C64' C -0.0215(6) 0.9694(8) 0.6675(5) 0.0475(18) Uani 0.494(4) 1 d PU . 2
C65' C 0.0144(5) 0.5581(7) 0.7311(4) 0.0437(17) Uani 0.494(4) 1 d PDU . 2
C66' C 0.1312(5) 0.9023(8) 0.7679(5) 0.0536(18) Uani 0.494(4) 1 d PDU A 2
C67' C 0.0524(5) 0.5675(8) 0.7771(5) 0.0500(19) Uani 0.494(4) 1 d PDU . 2
C68' C 0.0891(5) 0.9633(8) 0.7855(5) 0.048(2) Uani 0.494(4) 1 d PDU . 2
C69' C 0.0441(5) 0.9992(8) 0.7507(6) 0.049(2) Uani 0.494(4) 1 d PDU . 2
C70' C 0.0422(6) 0.9787(10) 0.6912(6) 0.0476(19) Uani 0.494(4) 1 d PDU A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C8 N2 1.383(5) . ?
C8 C9 1.406(5) . ?
C8 C7 1.446(5) . ?
C7 C6 1.347(6) . ?
C6 C5 1.451(5) . ?
C5 N2 1.377(5) . ?
C5 C4 1.404(5) . ?
C4 C3 1.405(5) . ?
C4 C11 1.503(5) . ?
C3 N1 1.386(5) . ?
C3 C2 1.443(5) . ?
C2 C1 1.347(6) . ?
C10 N1 1.374(5) 2_556 ?
C10 C9 1.417(5) . ?
C10 C1 1.448(5) 2_556 ?
C9 C17 1.501(5) . ?
C11 C12 1.392(6) . ?
C11 C16 1.397(6) . ?
C12 C13 1.387(6) . ?
C13 C14 1.366(7) . ?
C14 C15 1.378(7) . ?
C14 Cl2 1.755(4) . ?
C15 C16 1.394(6) . ?
C17 C18 1.389(6) . ?
C17 C22 1.393(6) . ?
C18 C19 1.386(6) . ?
C19 C20 1.378(6) . ?
C20 C21 1.381(6) . ?
C20 Cl1 1.744(4) . ?
C21 C22 1.381(6) . ?
C23 N3 1.329(5) 2_556 ?
C23 N4 1.370(5) . ?
C23 C24 1.461(5) . ?
C24 C25 1.387(5) . ?
C24 C29 1.404(5) . ?
C25 C26 1.392(6) . ?
C26 C27 1.403(6) . ?
C27 C28 1.396(6) . ?
C28 C29 1.381(5) . ?
C29 C30 1.469(5) . ?
C30 N5 1.337(5) . ?
C30 N4 1.366(5) . ?
C31 N5 1.329(5) . ?
C31 N6 1.367(5) . ?
C31 C32 1.470(5) . ?
C32 C33 1.378(5) . ?
C32 C37 1.387(5) . ?
C33 C34 1.400(6) . ?
C34 C35 1.385(6) . ?
C35 C36 1.385(6) . ?
C36 C37 1.394(5) . ?
C37 C38 1.461(5) . ?
C38 N3 1.337(5) . ?
C38 N6 1.374(5) . ?
N1 C10 1.374(5) 2_556 ?
N1 Dy1 2.426(3) . ?
N2 Dy1 2.417(3) . ?
N3 C23 1.329(5) 2_556 ?
N4 Dy1 2.465(3) . ?
N6 Dy1 2.473(3) . ?
Dy1 N2 2.417(3) 2_556 ?
Dy1 N1 2.426(3) 2_556 ?
Dy1 N4 2.465(3) 2_556 ?
Dy1 N6 2.473(3) 2_556 ?
C1 C10 1.448(5) 2_556 ?
C41 C46 1.381(11) . ?
C41 C42 1.443(11) . ?
C41 C45 1.448(11) . ?
C42 C61 1.399(13) . ?
C42 C43 1.450(11) . ?
C43 C58 1.394(11) . ?
C43 C44 1.464(11) . ?
C44 C55 1.361(11) . ?
C44 C45 1.463(11) . ?
C45 C51 1.362(10) . ?
C46 C47 1.436(11) . ?
C46 C50 1.455(11) . ?
C47 C62 1.376(10) . ?
C47 C48 1.452(11) . ?
C48 C65 1.220(11) . ?
C48 C49 1.353(12) . ?
C49 C68 1.404(13) . ?
C49 C50 1.501(12) . ?
C50 C52 1.361(11) . ?
C51 C53 1.457(11) . ?
C51 C52 1.469(11) . ?
C52 C66 1.331(12) . ?
C53 C54 1.349(16) . ?
C53 C69 1.380(11) . ?
C54 C55 1.475(15) . ?
C54 C70 1.917(18) 2_556 ?
C55 C56 1.652(14) . ?
C56 C57 1.293(11) . ?
C56 C59 1.556(15) 2_556 ?
C57 C58 1.475(11) . ?
C57 C57 1.506(13) 2_556 ?
C57 C59 1.887(12) 2_556 ?
C58 C59 1.408(11) . ?
C59 C60 1.452(11) . ?
C59 C56 1.556(15) 2_556 ?
C59 C57 1.887(12) 2_556 ?
C60 C61 1.440(11) . ?
C60 C70 1.456(12) . ?
C61 C62 1.429(11) . ?
C62 C63 1.476(11) . ?
C63 C64 1.382(11) . ?
C63 C70 1.455(13) . ?
C64 C69 1.186(12) 2_556 ?
C64 C65 1.444(12) . ?
C65 C67 1.431(12) 2_556 ?
C66 C67 1.381(12) . ?
C66 C69 1.509(11) . ?
C67 C65 1.431(12) 2_556 ?
C67 C68 1.581(16) . ?
C67 C68 1.942(18) 2_556 ?
C68 C68 1.10(2) 2_556 ?
C68 C67 1.942(18) 2_556 ?
C69 C64 1.186(12) 2_556 ?
C70 C54 1.917(18) 2_556 ?
C41' C46' 1.387(12) . ?
C41' C42' 1.438(12) . ?
C41' C45' 1.464(12) . ?
C42' C56' 1.405(11) . ?
C42' C43' 1.448(12) . ?
C43' C70' 1.376(13) . ?
C43' C44' 1.464(12) . ?
C44' C66' 1.367(12) . ?
C44' C45' 1.424(12) . ?
C45' C51' 1.470(15) . ?
C46' C50' 1.450(12) . ?
C46' C47' 1.453(11) . ?
C47' C57' 1.364(11) . ?
C47' C48' 1.457(11) . ?
C48' C49' 1.381(12) . ?
C48' C62' 1.382(12) . ?
C49' C65' 1.392(12) . ?
C49' C50' 1.470(12) . ?
C50' C52' 1.387(12) . ?
C51' C52' 1.438(12) . ?
C51' C55' 1.456(12) . ?
C52' C53' 1.468(11) . ?
C53' C67' 1.360(12) . ?
C53' C54' 1.476(12) . ?
C53' C62' 1.609(15) 2_556 ?
C54' C63' 0.918(14) 2_556 ?
C54' C55' 1.439(13) . ?
C54' C62' 1.483(17) 2_556 ?
C55' C61' 1.359(18) . ?
C55' C63' 1.931(18) 2_556 ?
C56' C60' 1.426(12) . ?
C56' C57' 1.426(11) . ?
C57' C58' 1.459(11) . ?
C58' C63' 1.354(13) . ?
C58' C59' 1.400(12) . ?
C59' C60' 1.513(13) . ?
C59' C61' 1.93(2) 2_556 ?
C60' C64' 1.461(17) . ?
C61' C66' 1.450(19) . ?
C61' C59' 1.93(2) 2_556 ?
C62' C63' 1.442(17) . ?
C62' C54' 1.483(17) 2_556 ?
C62' C53' 1.609(15) 2_556 ?
C62' C67' 1.836(17) 2_556 ?
C63' C54' 0.918(14) 2_556 ?
C63' C55' 1.931(18) 2_556 ?
C64' C70' 1.490(18) . ?
C64' C68' 2.009(17) 2_556 ?
C65' C65' 1.18(2) 2_556 ?
C65' C67' 1.332(15) . ?
C65' C67' 1.505(16) 2_556 ?
C66' C68' 1.445(16) . ?
C67' C65' 1.505(16) 2_556 ?
C67' C62' 1.836(17) 2_556 ?
C68' C69' 1.361(14) . ?
C68' C64' 2.009(17) 2_556 ?
C69' C70' 1.470(17) . ?
C69' C69' 1.99(2) 2_556 ?

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
N2 C8 C9 126.0(3) . . ?
N2 C8 C7 109.8(3) . . ?
C9 C8 C7 124.1(3) . . ?
C6 C7 C8 107.0(3) . . ?
C7 C6 C5 107.6(3) . . ?
N2 C5 C4 125.7(3) . . ?
N2 C5 C6 109.4(3) . . ?
C4 C5 C6 124.7(3) . . ?
C5 C4 C3 125.9(3) . . ?
C5 C4 C11 116.1(3) . . ?
C3 C4 C11 117.9(3) . . ?
N1 C3 C4 125.0(3) . . ?
N1 C3 C2 109.1(3) . . ?
C4 C3 C2 125.7(4) . . ?
C1 C2 C3 107.7(3) . . ?
N1 C10 C9 125.4(3) 2_556 . ?
N1 C10 C1 109.8(3) 2_556 2_556 ?
C9 C10 C1 124.6(3) . 2_556 ?
C8 C9 C10 125.9(3) . . ?
C8 C9 C17 116.9(3) . . ?
C10 C9 C17 116.7(3) . . ?
C12 C11 C16 117.7(4) . . ?
C12 C11 C4 119.6(4) . . ?
C16 C11 C4 122.7(4) . . ?
C13 C12 C11 121.8(4) . . ?
C14 C13 C12 118.8(4) . . ?
C13 C14 C15 121.5(4) . . ?
C13 C14 Cl2 118.8(4) . . ?
C15 C14 Cl2 119.7(3) . . ?
C14 C15 C16 119.2(4) . . ?
C15 C16 C11 120.8(4) . . ?
C18 C17 C22 117.3(4) . . ?
C18 C17 C9 123.0(4) . . ?
C22 C17 C9 119.7(3) . . ?
C19 C18 C17 121.8(4) . . ?
C20 C19 C18 119.0(4) . . ?
C19 C20 C21 120.8(4) . . ?
C19 C20 Cl1 120.0(3) . . ?
C21 C20 Cl1 119.0(3) . . ?
C22 C21 C20 119.2(4) . . ?
C21 C22 C17 121.8(4) . . ?
N3 C23 N4 127.0(3) 2_556 . ?
N3 C23 C24 121.9(3) 2_556 . ?
N4 C23 C24 110.6(3) . . ?
C25 C24 C29 121.2(3) . . ?
C25 C24 C23 132.7(4) . . ?
C29 C24 C23 106.1(3) . . ?
C24 C25 C26 117.0(4) . . ?
C25 C26 C27 121.9(4) . . ?
C28 C27 C26 120.7(4) . . ?
C29 C28 C27 117.4(4) . . ?
C28 C29 C24 121.9(4) . . ?
C28 C29 C30 132.8(4) . . ?
C24 C29 C30 105.3(3) . . ?
N5 C30 N4 127.5(3) . . ?
N5 C30 C29 121.3(3) . . ?
N4 C30 C29 110.8(3) . . ?
N5 C31 N6 129.1(3) . . ?
N5 C31 C32 120.4(3) . . ?
N6 C31 C32 110.4(3) . . ?
C33 C32 C37 121.7(4) . . ?
C33 C32 C31 132.5(4) . . ?
C37 C32 C31 105.8(3) . . ?
C32 C33 C34 117.2(4) . . ?
C35 C34 C33 120.6(4) . . ?
C34 C35 C36 122.5(4) . . ?
C35 C36 C37 116.3(4) . . ?
C32 C37 C36 121.6(4) . . ?
C32 C37 C38 106.5(3) . . ?
C36 C37 C38 132.0(4) . . ?
N3 C38 N6 128.9(3) . . ?
N3 C38 C37 120.8(3) . . ?
N6 C38 C37 110.3(3) . . ?
C10 N1 C3 106.2(3) 2_556 . ?
C10 N1 Dy1 125.5(2) 2_556 . ?
C3 N1 Dy1 123.1(2) . . ?
C5 N2 C8 106.2(3) . . ?
C5 N2 Dy1 123.4(2) . . ?
C8 N2 Dy1 125.4(2) . . ?
C23 N3 C38 122.5(3) 2_556 . ?
C30 N4 C23 106.9(3) . . ?
C30 N4 Dy1 122.8(2) . . ?
C23 N4 Dy1 123.3(2) . . ?
C31 N5 C30 121.7(3) . . ?
C31 N6 C38 107.0(3) . . ?
C31 N6 Dy1 125.2(2) . . ?
C38 N6 Dy1 125.5(2) . . ?
N2 Dy1 N2 116.51(15) 2_556 . ?
N2 Dy1 N1 74.55(10) 2_556 . ?
N2 Dy1 N1 73.70(10) . . ?
N2 Dy1 N1 73.70(10) 2_556 2_556 ?
N2 Dy1 N1 74.55(10) . 2_556 ?
N1 Dy1 N1 117.35(15) . 2_556 ?
N2 Dy1 N4 142.82(10) 2_556 . ?
N2 Dy1 N4 80.00(10) . . ?
N1 Dy1 N4 142.11(10) . . ?
N1 Dy1 N4 80.01(10) 2_556 . ?
N2 Dy1 N4 80.00(10) 2_556 2_556 ?
N2 Dy1 N4 142.82(10) . 2_556 ?
N1 Dy1 N4 80.01(10) . 2_556 ?
N1 Dy1 N4 142.11(10) 2_556 2_556 ?
N4 Dy1 N4 107.38(15) . 2_556 ?
N2 Dy1 N6 81.27(10) 2_556 . ?
N2 Dy1 N6 142.53(10) . . ?
N1 Dy1 N6 143.53(10) . . ?
N1 Dy1 N6 80.22(10) 2_556 . ?
N4 Dy1 N6 68.56(10) . . ?
N4 Dy1 N6 69.08(10) 2_556 . ?
N2 Dy1 N6 142.53(10) 2_556 2_556 ?
N2 Dy1 N6 81.27(10) . 2_556 ?
N1 Dy1 N6 80.22(10) . 2_556 ?
N1 Dy1 N6 143.53(10) 2_556 2_556 ?
N4 Dy1 N6 69.08(10) . 2_556 ?
N4 Dy1 N6 68.56(10) 2_556 2_556 ?
N6 Dy1 N6 104.82(15) . 2_556 ?
C2 C1 C10 106.9(3) . 2_556 ?
C46 C41 C42 118.9(9) . . ?
C46 C41 C45 121.9(9) . . ?
C42 C41 C45 107.4(8) . . ?
C61 C42 C41 120.3(9) . . ?
C61 C42 C43 118.0(9) . . ?
C41 C42 C43 109.5(8) . . ?
C58 C43 C42 120.7(9) . . ?
C58 C43 C44 119.7(9) . . ?
C42 C43 C44 107.2(8) . . ?
C55 C44 C45 122.0(8) . . ?
C55 C44 C43 118.9(8) . . ?
C45 C44 C43 107.4(7) . . ?
C51 C45 C41 117.0(8) . . ?
C51 C45 C44 122.3(8) . . ?
C41 C45 C44 108.6(7) . . ?
C41 C46 C47 119.8(8) . . ?
C41 C46 C50 120.7(9) . . ?
C47 C46 C50 107.8(7) . . ?
C62 C47 C46 122.2(8) . . ?
C62 C47 C48 117.8(8) . . ?
C46 C47 C48 106.8(7) . . ?
C65 C48 C49 112.8(11) . . ?
C65 C48 C47 125.5(9) . . ?
C49 C48 C47 111.7(8) . . ?
C48 C49 C68 129.4(12) . . ?
C48 C49 C50 107.2(8) . . ?
C68 C49 C50 113.4(11) . . ?
C52 C50 C46 117.6(9) . . ?
C52 C50 C49 122.5(12) . . ?
C46 C50 C49 106.5(8) . . ?
C45 C51 C53 114.9(8) . . ?
C45 C51 C52 121.6(8) . . ?
C53 C51 C52 110.9(7) . . ?
C66 C52 C50 123.8(11) . . ?
C66 C52 C51 106.7(7) . . ?
C50 C52 C51 121.2(8) . . ?
C54 C53 C69 123.1(11) . . ?
C54 C53 C51 124.1(9) . . ?
C69 C53 C51 103.2(7) . . ?
C53 C54 C55 120.4(10) . . ?
C53 C54 C70 116.8(10) . 2_556 ?
C55 C54 C70 106.0(10) . 2_556 ?
C44 C55 C54 116.2(9) . . ?
C44 C55 C56 118.8(8) . . ?
C54 C55 C56 109.7(9) . . ?
C57 C56 C59 82.4(7) . 2_556 ?
C57 C56 C55 119.8(9) . . ?
C59 C56 C55 143.9(10) 2_556 . ?
C56 C57 C58 118.2(8) . . ?
C56 C57 C57 132.8(10) . 2_556 ?
C58 C57 C57 97.5(8) . 2_556 ?
C56 C57 C59 54.8(7) . 2_556 ?
C58 C57 C59 154.3(10) . 2_556 ?
C57 C57 C59 79.4(7) 2_556 2_556 ?
C43 C58 C59 123.5(9) . . ?
C43 C58 C57 124.2(8) . . ?
C59 C58 C57 98.7(7) . . ?
C58 C59 C60 115.4(8) . . ?
C58 C59 C56 126.1(8) . 2_556 ?
C60 C59 C56 105.9(9) . 2_556 ?
C58 C59 C57 84.4(6) . 2_556 ?
C60 C59 C57 142.0(9) . 2_556 ?
C56 C59 C57 42.8(5) 2_556 2_556 ?
C61 C60 C59 121.8(8) . . ?
C61 C60 C70 107.5(8) . . ?
C59 C60 C70 118.2(10) . . ?
C42 C61 C62 120.7(8) . . ?
C42 C61 C60 120.4(9) . . ?
C62 C61 C60 108.1(7) . . ?
C47 C62 C61 118.1(8) . . ?
C47 C62 C63 118.9(8) . . ?
C61 C62 C63 109.7(7) . . ?
C64 C63 C70 128.3(12) . . ?
C64 C63 C62 117.0(8) . . ?
C70 C63 C62 104.9(7) . . ?
C69 C64 C63 128.2(13) 2_556 . ?
C69 C64 C65 102.7(8) 2_556 . ?
C63 C64 C65 121.6(9) . . ?
C48 C65 C67 109.3(11) . 2_556 ?
C48 C65 C64 119.2(9) . . ?
C67 C65 C64 116.9(8) 2_556 . ?
C52 C66 C67 121.8(12) . . ?
C52 C66 C69 108.0(8) . . ?
C67 C66 C69 110.8(8) . . ?
C66 C67 C65 95.0(8) . 2_556 ?
C66 C67 C68 115.6(10) . . ?
C65 C67 C68 139.3(10) 2_556 . ?
C66 C67 C68 145.8(11) . 2_556 ?
C65 C67 C68 106.6(9) 2_556 2_556 ?
C68 C67 C68 34.4(7) . 2_556 ?
C68 C68 C49 134.9(16) 2_556 . ?
C68 C68 C67 91.1(14) 2_556 . ?
C49 C68 C67 121.4(10) . . ?
C68 C68 C67 54.5(12) 2_556 2_556 ?
C49 C68 C67 81.4(8) . 2_556 ?
C67 C68 C67 137.3(9) . 2_556 ?
C64 C69 C53 122.8(12) 2_556 . ?
C64 C69 C66 111.9(8) 2_556 . ?
C53 C69 C66 110.8(8) . . ?
C63 C70 C60 109.4(8) . . ?
C63 C70 C54 100.0(9) . 2_556 ?
C60 C70 C54 132.8(10) . 2_556 ?
C46' C41' C42' 118.9(9) . . ?
C46' C41' C45' 119.9(12) . . ?
C42' C41' C45' 109.3(8) . . ?
C56' C42' C41' 119.0(9) . . ?
C56' C42' C43' 121.0(11) . . ?
C41' C42' C43' 107.8(8) . . ?
C70' C43' C42' 123.2(12) . . ?
C70' C43' C44' 119.9(10) . . ?
C42' C43' C44' 106.9(7) . . ?
C66' C44' C45' 118.5(11) . . ?
C66' C44' C43' 120.0(9) . . ?
C45' C44' C43' 109.8(8) . . ?
C44' C45' C41' 106.3(8) . . ?
C44' C45' C51' 122.6(10) . . ?
C41' C45' C51' 116.3(10) . . ?
C41' C46' C50' 121.5(12) . . ?
C41' C46' C47' 121.0(9) . . ?
C50' C46' C47' 106.7(8) . . ?
C57' C47' C46' 120.1(8) . . ?
C57' C47' C48' 117.7(8) . . ?
C46' C47' C48' 110.0(8) . . ?
C49' C48' C62' 120.5(10) . . ?
C49' C48' C47' 105.4(7) . . ?
C62' C48' C47' 123.3(9) . . ?
C48' C49' C65' 118.3(11) . . ?
C48' C49' C50' 112.3(8) . . ?
C65' C49' C50' 114.2(8) . . ?
C52' C50' C46' 122.1(12) . . ?
C52' C50' C49' 120.5(9) . . ?
C46' C50' C49' 105.4(8) . . ?
C52' C51' C55' 109.3(8) . . ?
C52' C51' C45' 123.3(10) . . ?
C55' C51' C45' 116.5(10) . . ?
C50' C52' C51' 116.9(10) . . ?
C50' C52' C53' 122.2(9) . . ?
C51' C52' C53' 108.6(7) . . ?
C67' C53' C52' 112.3(8) . . ?
C67' C53' C54' 131.4(10) . . ?
C52' C53' C54' 105.5(7) . . ?
C67' C53' C62' 75.9(8) . 2_556 ?
C52' C53' C62' 153.5(9) . 2_556 ?
C54' C53' C62' 57.3(7) . 2_556 ?
C63' C54' C55' 108.0(14) 2_556 . ?
C63' C54' C53' 134.2(15) 2_556 . ?
C55' C54' C53' 110.0(8) . . ?
C63' C54' C62' 69.3(12) 2_556 2_556 ?
C55' C54' C62' 158.4(11) . 2_556 ?
C53' C54' C62' 65.9(8) . 2_556 ?
C61' C55' C54' 123.1(12) . . ?
C61' C55' C51' 118.1(12) . . ?
C54' C55' C51' 106.6(8) . . ?
C61' C55' C63' 96.7(10) . 2_556 ?
C54' C55' C63' 26.9(6) . 2_556 ?
C51' C55' C63' 130.1(8) . 2_556 ?
C42' C56' C60' 119.5(10) . . ?
C42' C56' C57' 121.7(9) . . ?
C60' C56' C57' 108.3(7) . . ?
C47' C57' C56' 119.3(9) . . ?
C47' C57' C58' 118.0(8) . . ?
C56' C57' C58' 109.6(7) . . ?
C63' C58' C59' 114.6(12) . . ?
C63' C58' C57' 124.7(10) . . ?
C59' C58' C57' 107.3(8) . . ?
C58' C59' C60' 108.4(8) . . ?
C58' C59' C61' 103.0(10) . 2_556 ?
C60' C59' C61' 132.6(10) . 2_556 ?
C56' C60' C64' 118.9(10) . . ?
C56' C60' C59' 106.4(8) . . ?
C64' C60' C59' 120.8(10) . . ?
C55' C61' C66' 124.7(13) . . ?
C55' C61' C59' 112.0(11) . 2_556 ?
C66' C61' C59' 109.0(11) . 2_556 ?
C48' C62' C63' 118.5(9) . . ?
C48' C62' C54' 148.1(10) . 2_556 ?
C63' C62' C54' 36.6(6) . 2_556 ?
C48' C62' C53' 133.7(10) . 2_556 ?
C63' C62' C53' 93.0(8) . 2_556 ?
C54' C62' C53' 56.9(6) 2_556 2_556 ?
C48' C62' C67' 90.6(8) . 2_556 ?
C63' C62' C67' 135.5(10) . 2_556 ?
C54' C62' C67' 101.8(8) 2_556 2_556 ?
C53' C62' C67' 45.9(5) 2_556 2_556 ?
C54' C63' C58' 155.0(18) 2_556 . ?
C54' C63' C62' 74.1(13) 2_556 . ?
C58' C63' C62' 117.4(10) . . ?
C54' C63' C55' 45.1(10) 2_556 2_556 ?
C58' C63' C55' 113.3(11) . 2_556 ?
C62' C63' C55' 115.9(9) . 2_556 ?
C60' C64' C70' 121.4(12) . . ?
C60' C64' C68' 99.7(9) . 2_556 ?
C70' C64' C68' 123.2(10) . 2_556 ?
C65' C65' C67' 73.3(11) 2_556 . ?
C65' C65' C49' 152.7(13) 2_556 . ?
C67' C65' C49' 122.9(10) . . ?
C65' C65' C67' 57.9(10) 2_556 2_556 ?
C67' C65' C67' 129.7(9) . 2_556 ?
C49' C65' C67' 99.0(10) . 2_556 ?
C44' C66' C68' 118.4(10) . . ?
C44' C66' C61' 119.2(11) . . ?
C68' C66' C61' 111.8(11) . . ?
C65' C67' C53' 127.0(10) . . ?
C65' C67' C65' 48.7(9) . 2_556 ?
C53' C67' C65' 152.2(11) . 2_556 ?
C65' C67' C62' 148.4(11) . 2_556 ?
C53' C67' C62' 58.2(7) . 2_556 ?
C65' C67' C62' 110.1(9) 2_556 2_556 ?
C69' C68' C66' 123.9(10) . . ?
C69' C68' C64' 76.8(9) . 2_556 ?
C66' C68' C64' 140.1(10) . 2_556 ?
C68' C69' C70' 116.9(10) . . ?
C68' C69' C69' 133.1(12) . 2_556 ?
C70' C69' C69' 93.9(11) . 2_556 ?
C43' C70' C69' 120.6(10) . . ?
C43' C70' C64' 116.0(13) . . ?
C69' C70' C64' 108.4(11) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        67.15
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         1.215
_refine_diff_density_min         -1.089
_refine_diff_density_rms         0.108
_database_code_depnum_ccdc_archive 'CCDC 978331'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_111106b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C220 H60 Cl8 Dy N12 O0'
_chemical_formula_weight         3316.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21/c '
_symmetry_space_group_name_Hall  ' -P 2ybc '

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

_cell_length_a                   19.3998(2)
_cell_length_b                   28.3596(3)
_cell_length_c                   24.7203(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     13600.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    21731
_cell_measurement_theta_min      3.0963
_cell_measurement_theta_max      61.0787

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6664
_exptl_absorpt_coefficient_mu    4.986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.424
_exptl_absorpt_correction_T_max  0.550
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2141
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            83372
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         62.00
_reflns_number_total             21374
_reflns_number_gt                19598
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0240P)²+359.6896P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21374
_refine_ls_number_parameters     2580
_refine_ls_number_restraints     1722
_refine_ls_R_factor_all          0.1245
_refine_ls_R_factor_gt           0.1191
_refine_ls_wR_factor_ref         0.2610
_refine_ls_wR_factor_gt          0.2587
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_restrained_S_all      11.564
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.306(5) 0.852(4) 0.359(4) 0.0172(19) Uani 1 1 d U . .
C1C C 0.213(8) 0.543(6) 0.029(6) 0.053(3) Uani 1 1 d U . .
C2 C 0.284(5) 0.852(4) 0.415(4) 0.0171(19) Uani 1 1 d U . .
H2 H 0.3126 0.8515 0.4453 0.021 Uiso 1 1 calc R . .
C2C C 0.290(8) 0.542(6) 0.028(6) 0.053(3) Uani 1 1 d U . .
C3 C 0.215(5) 0.852(4) 0.415(4) 0.0164(19) Uani 1 1 d U . .
H3 H 0.1860 0.8518 0.4449 0.020 Uiso 1 1 calc R . .
C3C C 0.312(7) 0.586(5) 0.049(6) 0.043(3) Uani 1 1 d U . .
C4 C 0.193(5) 0.852(4) 0.359(4) 0.0177(19) Uani 1 1 d U . .
C4C C 0.251(9) 0.615(6) 0.061(7) 0.055(4) Uani 1 1 d U . .
C5 C 0.124(5) 0.858(3) 0.342(4) 0.0143(18) Uani 1 1 d U . .
C5C C 0.190(8) 0.586(5) 0.049(6) 0.047(3) Uani 1 1 d U . .
C6 C 0.102(5) 0.860(4) 0.288(4) 0.0154(19) Uani 1 1 d U . .
C6C C 0.178(9) 0.503(6) 0.040(7) 0.055(4) Uani 1 1 d U . .
C7 C 0.034(5) 0.876(4) 0.271(4) 0.018(2) Uani 1 1 d U . .
H7 H -0.0025 0.8834 0.2939 0.022 Uiso 1 1 calc R . .
C7C C 0.215(9) 0.459(6) 0.054(7) 0.056(4) Uani 1 1 d U . .
C8 C 0.033(5) 0.878(4) 0.217(4) 0.020(2) Uani 1 1 d U . .
H8 H -0.0037 0.8864 0.1956 0.023 Uiso 1 1 calc R . .
C8C C 0.287(8) 0.459(6) 0.055(6) 0.053(3) Uani 1 1 d U . .
C9 C 0.102(5) 0.864(3) 0.198(4) 0.0130(18) Uani 1 1 d U . .
C9C C 0.323(8) 0.502(6) 0.041(6) 0.051(3) Uani 1 1 d U . .
C10 C 0.125(5) 0.867(3) 0.145(4) 0.0152(19) Uani 1 1 d U . .
C10C C 0.385(8) 0.503(5) 0.076(6) 0.047(3) Uani 1 1 d U . .
C11 C 0.194(5) 0.864(3) 0.127(4) 0.0129(18) Uani 1 1 d U . .
C11C C 0.408(8) 0.546(5) 0.095(6) 0.044(3) Uani 1 1 d U . .
C12 C 0.215(6) 0.871(4) 0.072(4) 0.022(2) Uani 1 1 d U . .
H12 H 0.1869 0.8751 0.0421 0.026 Uiso 1 1 calc R . .
C12C C 0.370(8) 0.589(5) 0.082(6) 0.046(3) Uani 1 1 d U . .
C13 C 0.284(6) 0.872(4) 0.072(4) 0.021(2) Uani 1 1 d U . .
H13 H 0.3129 0.8757 0.0420 0.025 Uiso 1 1 calc R . .
C13C C 0.370(8) 0.620(6) 0.129(6) 0.052(3) Uani 1 1 d U . .
C14 C 0.307(5) 0.864(3) 0.127(4) 0.0132(18) Uani 1 1 d U . .
C14C C 0.312(9) 0.645(6) 0.141(7) 0.055(4) Uani 1 1 d U . .
C15 C 0.375(5) 0.867(3) 0.145(4) 0.0150(18) Uani 1 1 d U . .
C15C C 0.251(8) 0.643(6) 0.107(6) 0.051(3) Uani 1 1 d U . .
C16 C 0.398(5) 0.864(3) 0.199(4) 0.0142(18) Uani 1 1 d U . .
C16C C 0.190(9) 0.645(6) 0.141(7) 0.055(4) Uani 1 1 d U . .
C17 C 0.466(5) 0.878(4) 0.218(4) 0.020(2) Uani 1 1 d U . .
H17 H 0.5031 0.8863 0.1964 0.024 Uiso 1 1 calc R . .
C17C C 0.133(8) 0.620(6) 0.129(7) 0.054(4) Uani 1 1 d U . .
C18 C 0.465(5) 0.876(4) 0.272(4) 0.0182(19) Uani 1 1 d U . .
H18 H 0.5012 0.8831 0.2952 0.022 Uiso 1 1 calc R . .
C18C C 0.132(8) 0.589(5) 0.082(6) 0.046(3) Uani 1 1 d U . .
C19 C 0.398(5) 0.860(3) 0.287(4) 0.0141(18) Uani 1 1 d U . .
C19C C 0.095(8) 0.546(5) 0.095(6) 0.045(3) Uani 1 1 d U . .
C20 C 0.375(5) 0.858(3) 0.342(4) 0.0128(18) Uani 1 1 d U . .
C20C C 0.117(8) 0.504(5) 0.076(6) 0.048(3) Uani 1 1 d U . .
C21 C 0.072(5) 0.870(4) 0.384(4) 0.0173(19) Uani 1 1 d U . .
C21C C 0.119(8) 0.463(5) 0.110(6) 0.049(3) Uani 1 1 d U . .
C22 C 0.013(6) 0.843(4) 0.392(5) 0.027(2) Uani 1 1 d U . .
H22 H 0.0050 0.8173 0.3695 0.033 Uiso 1 1 calc R . .
C22C C 0.179(8) 0.435(5) 0.096(6) 0.049(3) Uani 1 1 d U . .
C23 C -0.034(7) 0.854(5) 0.432(5) 0.037(3) Uani 1 1 d U . .
H23 H -0.0726 0.8352 0.4376 0.044 Uiso 1 1 calc R . .
C23C C 0.323(8) 0.435(6) 0.096(6) 0.053(3) Uani 1 1 d U . .
C24 C -0.022(6) 0.893(4) 0.465(5) 0.030(2) Uani 1 1 d U . .
C24C C 0.383(8) 0.463(6) 0.110(6) 0.050(3) Uani 1 1 d U . .
C25 C 0.035(6) 0.921(4) 0.457(5) 0.028(2) Uani 1 1 d U . .
H25 H 0.0425 0.9472 0.4789 0.034 Uiso 1 1 calc R . .
C25C C 0.430(8) 0.550(5) 0.151(6) 0.045(3) Uani 1 1 d U . .
C26 C 0.081(6) 0.909(4) 0.417(4) 0.020(2) Uani 1 1 d U . .
H26 H 0.1200 0.9282 0.4121 0.025 Uiso 1 1 calc R . .
C26C C 0.407(8) 0.596(5) 0.173(6) 0.049(3) Uani 1 1 d U . .
C27 C 0.072(5) 0.881(4) 0.103(4) 0.019(2) Uani 1 1 d U . .
C27C C 0.290(8) 0.650(6) 0.195(7) 0.054(3) Uani 1 1 d U . .
C28 C 0.076(7) 0.924(4) 0.078(5) 0.032(2) Uani 1 1 d U . .
H28 H 0.1109 0.9452 0.0871 0.039 Uiso 1 1 calc R . .
C28C C 0.212(8) 0.650(6) 0.195(6) 0.053(3) Uani 1 1 d U . .
C29 C 0.028(7) 0.937(5) 0.039(5) 0.040(3) Uani 1 1 d U . .
H29 H 0.0310 0.9666 0.0221 0.048 Uiso 1 1 calc R . .
C29C C 0.095(8) 0.596(5) 0.173(6) 0.048(3) Uani 1 1 d U . .
C30 C -0.024(6) 0.907(4) 0.026(5) 0.028(2) Uani 1 1 d U . .
C30C C 0.072(8) 0.551(5) 0.151(6) 0.047(3) Uani 1 1 d U . .
C31 C -0.028(7) 0.864(5) 0.050(5) 0.036(3) Uani 1 1 d U . .
H31 H -0.0635 0.8432 0.0400 0.043 Uiso 1 1 calc R . .
C31C C 0.212(9) 0.412(6) 0.139(7) 0.054(4) Uani 1 1 d U . .
C32 C 0.019(6) 0.850(4) 0.089(5) 0.031(2) Uani 1 1 d U . .
H32 H 0.0158 0.8210 0.1055 0.038 Uiso 1 1 calc R . .
C32C C 0.289(8) 0.412(6) 0.139(7) 0.054(4) Uani 1 1 d U . .
C33 C 0.428(5) 0.881(4) 0.104(4) 0.0175(19) Uani 1 1 d U . .
C33C C 0.406(8) 0.466(5) 0.163(6) 0.049(3) Uani 1 1 d U . .
C34 C 0.424(6) 0.924(4) 0.078(5) 0.030(2) Uani 1 1 d U . .
H34 H 0.3879 0.9449 0.0868 0.036 Uiso 1 1 calc R . .
C34C C 0.430(8) 0.511(5) 0.184(6) 0.046(3) Uani 1 1 d U . .
C35 C 0.472(7) 0.938(5) 0.039(5) 0.040(3) Uani 1 1 d U . .
H35 H 0.4686 0.9670 0.0219 0.048 Uiso 1 1 calc R . .
C35C C 0.385(9) 0.599(6) 0.225(7) 0.062(4) Uani 1 1 d U . .
C36 C 0.524(6) 0.907(4) 0.026(5) 0.029(2) Uani 1 1 d U . .
C36C C 0.324(9) 0.628(6) 0.238(7) 0.057(4) Uani 1 1 d U . .
C37 C 0.530(7) 0.864(5) 0.051(5) 0.035(3) Uani 1 1 d U . .
H37 H 0.5654 0.8442 0.0421 0.042 Uiso 1 1 calc R . .
C37C C 0.177(9) 0.628(6) 0.238(7) 0.057(4) Uani 1 1 d U . .
C38 C 0.481(6) 0.851(4) 0.090(5) 0.030(2) Uani 1 1 d U . .
H38 H 0.4848 0.8217 0.1065 0.036 Uiso 1 1 calc R . .
C38C C 0.118(9) 0.600(6) 0.225(7) 0.061(4) Uani 1 1 d U . .
C39 C 0.427(5) 0.869(4) 0.385(4) 0.0177(19) Uani 1 1 d U . .
C39C C 0.072(8) 0.512(5) 0.184(6) 0.047(3) Uani 1 1 d U . .
C40 C 0.418(5) 0.908(4) 0.418(4) 0.020(2) Uani 1 1 d U . .
H40 H 0.3798 0.9276 0.4126 0.024 Uiso 1 1 calc R . .
C40C C 0.096(8) 0.466(5) 0.162(6) 0.047(3) Uani 1 1 d U . .
C41 C 0.465(6) 0.920(4) 0.457(5) 0.030(2) Uani 1 1 d U . .
H41 H 0.4584 0.9464 0.4787 0.036 Uiso 1 1 calc R . .
C41C C 0.133(8) 0.443(5) 0.206(6) 0.048(3) Uani 1 1 d U . .
C42C C 0.191(9) 0.416(6) 0.193(7) 0.058(4) Uani 1 1 d U . .
C42 C 0.521(6) 0.891(4) 0.465(5) 0.031(2) Uani 1 1 d U . .
C43 C 0.532(7) 0.852(5) 0.433(5) 0.036(3) Uani 1 1 d U . .
H43 H 0.5705 0.8331 0.4379 0.043 Uiso 1 1 calc R . .
C43C C 0.250(9) 0.419(6) 0.229(7) 0.057(4) Uani 1 1 d U . .
C44 C 0.485(6) 0.841(4) 0.392(5) 0.029(2) Uani 1 1 d U . .
H44 H 0.4925 0.8154 0.3702 0.035 Uiso 1 1 calc R . .
C44C C 0.311(9) 0.416(6) 0.194(7) 0.055(4) Uani 1 1 d U . .
C45C C 0.368(8) 0.443(6) 0.207(6) 0.050(3) Uani 1 1 d U . .
C46C C 0.369(8) 0.472(5) 0.253(6) 0.049(3) Uani 1 1 d U . .
C47C C 0.406(8) 0.516(6) 0.240(6) 0.049(3) Uani 1 1 d U . .
C48C C 0.383(8) 0.559(5) 0.259(6) 0.047(3) Uani 1 1 d U . .
C49C C 0.323(9) 0.561(6) 0.294(7) 0.060(4) Uani 1 1 d U . .
C50C C 0.285(9) 0.604(6) 0.280(7) 0.060(4) Uani 1 1 d U . .
C51C C 0.217(9) 0.604(6) 0.280(7) 0.061(4) Uani 1 1 d U . .
C52C C 0.179(9) 0.561(6) 0.295(7) 0.058(4) Uani 1 1 d U . .
C53C C 0.118(8) 0.559(5) 0.260(6) 0.046(3) Uani 1 1 d U . .
C54C C 0.096(8) 0.516(5) 0.240(6) 0.047(3) Uani 1 1 d U . .
C55C C 0.132(8) 0.473(5) 0.253(6) 0.045(3) Uani 1 1 d U . .
C56C C 0.289(8) 0.520(6) 0.307(6) 0.053(3) Uani 1 1 d U . .
C57C C 0.212(8) 0.520(6) 0.307(6) 0.053(3) Uani 1 1 d U . .
C58C C 0.190(9) 0.475(6) 0.286(7) 0.055(4) Uani 1 1 d U . .
C59C C 0.250(9) 0.446(6) 0.272(7) 0.056(4) Uani 1 1 d U . .
C60C C 0.311(9) 0.475(6) 0.286(7) 0.056(4) Uani 1 1 d U . .
C45 C 0.099(11) 0.749(6) 0.271(9) 0.014(3) Uani 0.573(6) 1 d PU A 1
C46 C 0.058(9) 0.739(6) 0.320(7) 0.018(3) Uani 0.573(6) 1 d PU A 1
C47 C -0.012(11) 0.731(7) 0.326(8) 0.028(4) Uani 0.573(6) 1 d PU A 1
H47 H -0.0426 0.7327 0.2967 0.034 Uiso 0.573(6) 1 calc PR A 1
C48 C -0.035(12) 0.720(8) 0.377(9) 0.034(5) Uani 0.573(6) 1 d PU A 1
H48 H -0.0814 0.7150 0.3834 0.040 Uiso 0.573(6) 1 calc PR A 1
C49 C 0.012(10) 0.716(7) 0.421(8) 0.026(4) Uani 0.573(6) 1 d PU A 1
H49 H -0.0051 0.7090 0.4554 0.031 Uiso 0.573(6) 1 calc PR A 1
C50 C 0.081(11) 0.722(8) 0.414(9) 0.033(4) Uani 0.573(6) 1 d PU A 1
H50 H 0.1124 0.7193 0.4422 0.039 Uiso 0.573(6) 1 calc PR A 1
C51 C 0.104(10) 0.733(7) 0.362(8) 0.020(4) Uani 0.573(6) 1 d PU A 1
C52 C 0.171(11) 0.744(7) 0.340(7) 0.019(4) Uani 0.573(6) 1 d PU A 1
C53 C 0.289(12) 0.739(7) 0.350(9) 0.016(3) Uani 0.573(6) 1 d PU A 1
C54 C 0.352(10) 0.719(7) 0.379(8) 0.026(4) Uani 0.573(6) 1 d PU A 1
C55 C 0.357(11) 0.699(8) 0.430(9) 0.032(4) Uani 0.573(6) 1 d PU A 1
H55 H 0.3199 0.6975 0.4534 0.039 Uiso 0.573(6) 1 calc PR A 1
C56 C 0.421(12) 0.682(8) 0.444(10) 0.039(5) Uani 0.573(6) 1 d PU A 1
H56 H 0.4276 0.6697 0.4786 0.047 Uiso 0.573(6) 1 calc PR A 1
C57 C 0.476(12) 0.682(8) 0.407(9) 0.037(5) Uani 0.573(6) 1 d PU A 1
H57 H 0.5171 0.6683 0.4174 0.044 Uiso 0.573(6) 1 calc PR A 1
C58 C 0.471(12) 0.701(8) 0.356(9) 0.035(5) Uani 0.573(6) 1 d PU A 1
H58 H 0.5080 0.7012 0.3330 0.042 Uiso 0.573(6) 1 calc PR A 1
C59 C 0.408(10) 0.721(7) 0.341(8) 0.021(4) Uani 0.573(6) 1 d PU A 1
C60 C 0.380(11) 0.741(7) 0.292(8) 0.019(4) Uani 0.573(6) 1 d PU A 1
C61 C 0.391(11) 0.749(7) 0.200(8) 0.020(4) Uani 0.573(6) 1 d PU A 1
C62 C 0.434(10) 0.740(7) 0.150(8) 0.018(3) Uani 0.573(6) 1 d PU A 1
C63 C 0.501(10) 0.728(7) 0.143(8) 0.025(4) Uani 0.573(6) 1 d PU A 1
H63 H 0.5314 0.7254 0.1724 0.030 Uiso 0.573(6) 1 calc PR A 1
C64 C 0.521(12) 0.719(8) 0.090(9) 0.033(4) Uani 0.573(6) 1 d PU A 1
H64 H 0.5663 0.7097 0.0841 0.039 Uiso 0.573(6) 1 calc PR A 1
C65 C 0.477(12) 0.724(9) 0.047(10) 0.036(5) Uani 0.573(6) 1 d PU A 1
H65 H 0.4936 0.7182 0.0117 0.043 Uiso 0.573(6) 1 calc PR A 1
C66 C 0.409(10) 0.736(7) 0.055(8) 0.025(4) Uani 0.573(6) 1 d PU A 1
H66 H 0.3782 0.7388 0.0261 0.030 Uiso 0.573(6) 1 calc PR A 1
C67 C 0.387(11) 0.745(6) 0.107(8) 0.012(3) Uani 0.573(6) 1 d PU A 1
C68 C 0.318(9) 0.756(6) 0.130(7) 0.009(3) Uani 0.573(6) 1 d PU A 1
C69 C 0.197(9) 0.755(6) 0.123(7) 0.010(3) Uani 0.573(6) 1 d PU A 1
C70 C 0.143(11) 0.740(7) 0.089(8) 0.018(4) Uani 0.573(6) 1 d PU A 1
C71 C 0.135(10) 0.723(7) 0.037(8) 0.026(4) Uani 0.573(6) 1 d PU A 1
H71 H 0.1717 0.7250 0.0124 0.031 Uiso 0.573(6) 1 calc PR A 1
C72 C 0.073(10) 0.703(7) 0.022(8) 0.026(4) Uani 0.573(6) 1 d PU A 1
H72 H 0.0677 0.6919 -0.0129 0.032 Uiso 0.573(6) 1 calc PR A 1
C73 C 0.018(11) 0.700(8) 0.058(8) 0.025(4) Uani 0.573(6) 1 d PU A 1
H73 H -0.0237 0.6886 0.0461 0.030 Uiso 0.573(6) 1 calc PR A 1
C74 C 0.024(10) 0.715(7) 0.111(8) 0.022(4) Uani 0.573(6) 1 d PU A 1
H74 H -0.0113 0.7108 0.1363 0.027 Uiso 0.573(6) 1 calc PR A 1
C75 C 0.088(12) 0.736(7) 0.126(9) 0.019(4) Uani 0.573(6) 1 d PU A 1
C76 C 0.113(10) 0.750(6) 0.179(7) 0.014(3) Uani 0.573(6) 1 d PU A 1
N6 N 0.229(11) 0.737(6) 0.370(7) 0.020(3) Uani 0.573(6) 1 d PU A 1
N8 N 0.418(8) 0.743(5) 0.247(8) 0.014(3) Uani 0.573(6) 1 d PU A 1
N10 N 0.261(9) 0.756(5) 0.099(6) 0.012(3) Uani 0.573(6) 1 d PU A 1
N12 N 0.074(9) 0.748(6) 0.222(7) 0.017(3) Uiso 0.573(6) 1 d P A 1
C45A C 0.121(13) 0.741(9) 0.291(11) 0.016(5) Uani 0.427(6) 1 d PU A 2
C46A C 0.091(14) 0.721(10) 0.340(11) 0.021(5) Uani 0.427(6) 1 d PU A 2
C47A C 0.029(15) 0.702(10) 0.357(11) 0.029(6) Uani 0.427(6) 1 d PU A 2
H47A H -0.0088 0.7029 0.3338 0.034 Uiso 0.427(6) 1 calc PR A 2
C48A C 0.025(16) 0.682(11) 0.407(12) 0.034(6) Uani 0.427(6) 1 d PU A 2
H48A H -0.0161 0.6674 0.4173 0.041 Uiso 0.427(6) 1 calc PR A 2
C49A C 0.078(16) 0.683(11) 0.444(13) 0.037(6) Uani 0.427(6) 1 d PU A 2
H49A H 0.0705 0.6727 0.4790 0.045 Uiso 0.427(6) 1 calc PR A 2
C50A C 0.143(14) 0.699(9) 0.430(11) 0.027(5) Uani 0.427(6) 1 d PU A 2
H50A H 0.1808 0.6952 0.4523 0.033 Uiso 0.427(6) 1 calc PR A 2
C51A C 0.148(14) 0.721(9) 0.379(10) 0.024(5) Uani 0.427(6) 1 d PU A 2
C52A C 0.206(14) 0.738(8) 0.349(10) 0.009(4) Uani 0.427(6) 1 d PU A 2
C53A C 0.324(14) 0.744(8) 0.341(10) 0.015(4) Uani 0.427(6) 1 d PU A 2
C54A C 0.396(13) 0.732(9) 0.362(11) 0.017(5) Uani 0.427(6) 1 d PU A 2
C55A C 0.418(15) 0.723(10) 0.414(12) 0.031(6) Uani 0.427(6) 1 d PU A 2
H55A H 0.3872 0.7204 0.4427 0.037 Uiso 0.427(6) 1 calc PR A 2
C56A C 0.490(13) 0.716(9) 0.421(11) 0.024(5) Uani 0.427(6) 1 d PU A 2
H56A H 0.5070 0.7092 0.4557 0.029 Uiso 0.427(6) 1 calc PR A 2
C57A C 0.534(15) 0.720(10) 0.378(11) 0.032(6) Uani 0.427(6) 1 d PU A 2
H57A H 0.5812 0.7152 0.3837 0.038 Uiso 0.427(6) 1 calc PR A 2
C58A C 0.512(13) 0.730(9) 0.326(10) 0.021(5) Uani 0.427(6) 1 d PU A 2
H58A H 0.5426 0.7318 0.2973 0.026 Uiso 0.427(6) 1 calc PR A 2
C59A C 0.442(12) 0.739(9) 0.320(10) 0.017(5) Uani 0.427(6) 1 d PU A 2
C60A C 0.401(13) 0.749(7) 0.271(11) 0.006(4) Uani 0.427(6) 1 d PU A 2
C61A C 0.388(12) 0.750(8) 0.179(9) 0.008(4) Uani 0.427(6) 1 d PU A 2
C62A C 0.413(14) 0.735(9) 0.126(12) 0.015(4) Uani 0.427(6) 1 d PU A 2
C63A C 0.477(13) 0.715(9) 0.112(10) 0.021(5) Uani 0.427(6) 1 d PU A 2
H63A H 0.5133 0.7116 0.1370 0.025 Uiso 0.427(6) 1 calc PR A 2
C64A C 0.483(14) 0.699(10) 0.059(11) 0.024(5) Uani 0.427(6) 1 d PU A 2
H64A H 0.5239 0.6862 0.0478 0.029 Uiso 0.427(6) 1 calc PR A 2
C65A C 0.428(14) 0.703(10) 0.022(11) 0.027(5) Uani 0.427(6) 1 d PU A 2
H65A H 0.4342 0.6917 -0.0126 0.033 Uiso 0.427(6) 1 calc PR A 2
C66A C 0.365(14) 0.722(9) 0.037(11) 0.024(5) Uani 0.427(6) 1 d PU A 2
H66A H 0.3278 0.7237 0.0127 0.029 Uiso 0.427(6) 1 calc PR A 2
C67A C 0.359(14) 0.739(9) 0.089(10) 0.017(5) Uani 0.427(6) 1 d PU A 2
C68A C 0.295(15) 0.755(9) 0.119(11) 0.015(4) Uani 0.427(6) 1 d PU A 2
C69A C 0.175(16) 0.756(11) 0.132(12) 0.028(6) Uani 0.427(6) 1 d PU A 2
C70A C 0.114(14) 0.745(8) 0.105(10) 0.007(4) Uani 0.427(6) 1 d PU A 2
C71A C 0.091(13) 0.736(9) 0.055(10) 0.023(5) Uani 0.427(6) 1 d PU A 2
H71A H 0.1212 0.7385 0.0260 0.027 Uiso 0.427(6) 1 calc PR A 2
C72A C 0.024(16) 0.724(12) 0.045(13) 0.033(6) Uani 0.427(6) 1 d PU A 2
H72A H 0.0083 0.7191 0.0103 0.040 Uiso 0.427(6) 1 calc PR A 2
C73A C -0.022(15) 0.719(10) 0.091(11) 0.028(5) Uani 0.427(6) 1 d PU A 2
H73A H -0.0670 0.7096 0.0845 0.033 Uiso 0.427(6) 1 calc PR A 2
C74A C -0.001(13) 0.728(9) 0.143(10) 0.022(5) Uani 0.427(6) 1 d PU A 2
H74A H -0.0313 0.7253 0.1722 0.027 Uiso 0.427(6) 1 calc PR A 2
C75A C 0.066(12) 0.741(8) 0.150(10) 0.013(4) Uani 0.427(6) 1 d PU A 2
C76A C 0.108(14) 0.749(9) 0.201(11) 0.015(4) Uani 0.427(6) 1 d PU A 2
N6A N 0.270(14) 0.738(8) 0.371(10) 0.019(4) Uani 0.427(6) 1 d PU A 2
N8A N 0.425(11) 0.748(7) 0.223(9) 0.013(4) Uani 0.427(6) 1 d PU A 2
N10A N 0.234(12) 0.756(8) 0.103(9) 0.017(4) Uani 0.427(6) 1 d PU A 2
N12A N 0.080(11) 0.743(7) 0.247(10) 0.012(4) Uani 0.427(6) 1 d PU A 2
Dy1 Dy 0.2498(3) 0.80849(19) 0.2401(2) 0.01108(14) Uani 1 1 d . A .
Cl1 Cl -0.0791(17) 0.9054(16) 0.5166(12) 0.0523(9) Uani 1 1 d . . .
Cl2 Cl -0.0841(18) 0.9229(14) -0.0230(14) 0.0490(8) Uani 1 1 d . . .
Cl3 Cl 0.5841(19) 0.9233(14) -0.0227(14) 0.0507(8) Uani 1 1 d . . .
Cl4 Cl 0.5788(17) 0.9035(16) 0.5169(12) 0.0530(9) Uani 1 1 d . . .
N1 N 0.249(4) 0.849(3) 0.326(3) 0.0149(15) Uani 1 1 d U . .
N2 N 0.142(4) 0.852(3) 0.243(3) 0.0131(15) Uani 1 1 d U . .
N3 N 0.250(4) 0.858(3) 0.160(3) 0.0115(15) Uani 1 1 d U . .
N4 N 0.358(4) 0.852(3) 0.243(3) 0.0131(15) Uani 1 1 d U . .
N5 N 0.177(5) 0.753(4) 0.291(4) 0.032(2) Uani 1 1 d U . .
N7 N 0.318(5) 0.752(4) 0.293(4) 0.031(2) Uani 1 1 d U . .
N9 N 0.321(5) 0.761(3) 0.180(4) 0.0212(17) Uani 1 1 d U . .
N11 N 0.178(5) 0.761(3) 0.179(4) 0.0221(18) Uani 1 1 d U . .
C1E C 0.255(4) 0.296(7) 0.189(5) 0.050(11) Uani 0.575(10) 1 d PGDU B 1
C2E C 0.302(6) 0.282(7) 0.149(5) 0.056(7) Uani 0.575(10) 1 d PGDU B 1
H2E H 0.2861 0.2738 0.1150 0.068 Uiso 0.575(10) 1 calc PR B 1
C3E C 0.371(5) 0.279(7) 0.162(6) 0.057(7) Uani 0.575(10) 1 d PGU B 1
H3E H 0.4027 0.2695 0.1355 0.068 Uiso 0.575(10) 1 calc PR B 1
C4E C 0.394(4) 0.291(7) 0.213(6) 0.046(6) Uani 0.575(10) 1 d PGU B 1
H4E H 0.4410 0.2893 0.2215 0.056 Uiso 0.575(10) 1 calc PR B 1
C5E C 0.347(6) 0.306(7) 0.252(5) 0.057(7) Uani 0.575(10) 1 d PGU B 1
H5E H 0.3629 0.3135 0.2869 0.069 Uiso 0.575(10) 1 calc PR B 1
C6E C 0.278(6) 0.308(7) 0.240(5) 0.050(6) Uani 0.575(10) 1 d PGDU B 1
H6E H 0.2464 0.3179 0.2663 0.060 Uiso 0.575(10) 1 calc PR B 1
Cl5 Cl 0.168(4) 0.299(3) 0.174(4) 0.083(3) Uani 0.575(10) 1 d PD B 1
Cl5A Cl 0.332(5) 0.299(3) 0.174(6) 0.083(4) Uani 0.425(10) 1 d PD B 2
C1F C 0.246(6) 0.296(10) 0.188(7) 0.057(17) Uani 0.425(10) 1 d PGDU B 2
C2F C 0.199(7) 0.282(9) 0.148(6) 0.048(8) Uani 0.425(10) 1 d PGDU B 2
H2F H 0.2142 0.2746 0.1139 0.057 Uiso 0.425(10) 1 calc PR B 2
C3F C 0.129(6) 0.281(9) 0.160(8) 0.055(9) Uani 0.425(10) 1 d PGU B 2
H3F H 0.0974 0.2716 0.1340 0.067 Uiso 0.425(10) 1 calc PR B 2
C4F C 0.106(6) 0.292(9) 0.212(8) 0.047(8) Uani 0.425(10) 1 d PGU B 2
H4F H 0.0592 0.2912 0.2200 0.056 Uiso 0.425(10) 1 calc PR B 2
C5F C 0.153(9) 0.306(9) 0.251(7) 0.051(8) Uani 0.425(10) 1 d PGU B 2
H5F H 0.1376 0.3138 0.2859 0.062 Uiso 0.425(10) 1 calc PR B 2
C6F C 0.223(8) 0.308(10) 0.239(7) 0.052(8) Uani 0.425(10) 1 d PGU B 2
H6F H 0.2544 0.3168 0.2658 0.062 Uiso 0.425(10) 1 calc PR B 2
Cl6 Cl 0.111(6) 0.295(4) 0.337(6) 0.143(6) Uani 0.556(10) 1 d PD C 1
C7E C 0.179(6) 0.325(4) 0.364(4) 0.082(9) Uani 0.556(10) 1 d PGDU C 1
C8E C 0.240(8) 0.302(5) 0.378(8) 0.066(8) Uani 0.556(10) 1 d PGDU C 1
H8E H 0.2440 0.2701 0.3713 0.079 Uiso 0.556(10) 1 calc PR C 1
C9E C 0.294(8) 0.327(7) 0.400(9) 0.092(11) Uani 0.556(10) 1 d PGDU C 1
H9E H 0.3348 0.3120 0.4089 0.110 Uiso 0.556(10) 1 calc PR C 1
C10E C 0.288(9) 0.376(7) 0.409(8) 0.089(10) Uani 0.556(10) 1 d PGDU C 1
H10 H 0.3240 0.3923 0.4245 0.107 Uiso 0.556(10) 1 calc PR C 1
C11E C 0.227(10) 0.399(5) 0.396(9) 0.067(8) Uani 0.556(10) 1 d PGDU C 1
H11 H 0.2222 0.4308 0.4025 0.080 Uiso 0.556(10) 1 calc PR C 1
C12E C 0.172(8) 0.374(4) 0.374(7) 0.067(8) Uani 0.556(10) 1 d PGDU C 1
H12A H 0.1313 0.3889 0.3649 0.080 Uiso 0.556(10) 1 calc PR C 1
Cl6A Cl 0.391(8) 0.293(5) 0.335(8) 0.147(7) Uani 0.444(10) 1 d PD C 2
C7F C 0.324(8) 0.323(6) 0.363(6) 0.087(13) Uani 0.444(10) 1 d PGDU C 2
C8F C 0.329(10) 0.371(6) 0.373(10) 0.072(10) Uani 0.444(10) 1 d PGDU C 2
H8F H 0.3697 0.3872 0.3634 0.086 Uiso 0.444(10) 1 calc PR C 2
C9F C 0.275(13) 0.396(7) 0.395(11) 0.067(10) Uani 0.444(10) 1 d PGDU C 2
H9F H 0.2783 0.4284 0.4013 0.080 Uiso 0.444(10) 1 calc PR C 2
C10F C 0.214(11) 0.373(10) 0.409(10) 0.087(13) Uani 0.444(10) 1 d PGDU C 2
H10A H 0.1775 0.3891 0.4240 0.104 Uiso 0.444(10) 1 calc PR C 2
C11F C 0.209(10) 0.324(10) 0.400(13) 0.106(16) Uani 0.444(10) 1 d PGDU C 2
H11A H 0.1681 0.3086 0.4088 0.127 Uiso 0.444(10) 1 calc PR C 2
C12F C 0.263(10) 0.300(7) 0.377(12) 0.100(16) Uani 0.444(10) 1 d PGDU C 2
H12B H 0.2595 0.2674 0.3710 0.120 Uiso 0.444(10) 1 calc PR C 2
Cl7 Cl 0.623(4) 0.732(3) 0.477(4) 0.081(3) Uani 0.554(12) 1 d PD D 1
C13E C 0.709(5) 0.738(4) 0.485(4) 0.047(6) Uani 0.554(12) 1 d PGDU D 1
C14E C 0.753(6) 0.700(4) 0.475(6) 0.029(7) Uani 0.554(12) 1 d PGDU D 1
H14A H 0.7357 0.6716 0.4640 0.035 Uiso 0.554(12) 1 calc PR D 1
C15E C 0.824(5) 0.706(6) 0.482(8) 0.056(7) Uani 0.554(12) 1 d PGDU D 1
H15A H 0.8537 0.6811 0.4750 0.068 Uiso 0.554(12) 1 calc PR D 1
C16E C 0.850(5) 0.749(7) 0.498(8) 0.075(10) Uani 0.554(12) 1 d PGDU D 1
H16A H 0.8976 0.7533 0.5026 0.090 Uiso 0.554(12) 1 calc PR D 1
C17E C 0.806(7) 0.787(6) 0.508(10) 0.077(9) Uani 0.554(12) 1 d PGDU D 1
H17B H 0.8236 0.8159 0.5193 0.092 Uiso 0.554(12) 1 calc PR D 1
C18E C 0.735(7) 0.781(4) 0.502(8) 0.083(10) Uani 0.554(12) 1 d PGDU D 1
H18B H 0.7057 0.8063 0.5083 0.100 Uiso 0.554(12) 1 calc PR D 1
C13F C 0.788(6) 0.740(5) 0.486(5) 0.048(8) Uani 0.446(12) 1 d PGDU D 2
C14F C 0.745(7) 0.703(6) 0.476(10) 0.09(2) Uani 0.446(12) 1 d PGDU D 2
H14 H 0.7630 0.6737 0.4655 0.113 Uiso 0.446(12) 1 calc PR D 2
C15F C 0.674(7) 0.708(8) 0.482(11) 0.055(8) Uani 0.446(12) 1 d PGDU D 2
H15 H 0.6447 0.6825 0.4749 0.066 Uiso 0.446(12) 1 calc PR D 2
C16F C 0.647(6) 0.751(9) 0.497(9) 0.065(10) Uani 0.446(12) 1 d PGDU D 2
H16 H 0.5992 0.7546 0.5011 0.078 Uiso 0.446(12) 1 calc PR D 2
C17F C 0.690(9) 0.789(7) 0.507(12) 0.080(12) Uani 0.446(12) 1 d PGDU D 2
H17A H 0.6719 0.8179 0.5179 0.096 Uiso 0.446(12) 1 calc PR D 2
C18F C 0.761(8) 0.784(6) 0.502(10) 0.063(9) Uani 0.446(12) 1 d PGDU D 2
H18A H 0.7902 0.8090 0.5085 0.075 Uiso 0.446(12) 1 calc PR D 2
Cl7A Cl 0.876(5) 0.734(5) 0.479(6) 0.095(5) Uani 0.446(12) 1 d PD D 2
C19E C 0.220(8) 0.542(5) 0.449(5) 0.108(13) Uiso 0.564(11) 1 d PGD E 1
C20E C 0.233(9) 0.589(6) 0.435(8) 0.072(8) Uiso 0.564(11) 1 d PGD E 1
H20A H 0.2776 0.6012 0.4396 0.087 Uiso 0.564(11) 1 calc PR E 1
C21E C 0.181(11) 0.617(6) 0.415(9) 0.091(10) Uiso 0.564(11) 1 d PGD E 1
H21A H 0.1903 0.6486 0.4054 0.109 Uiso 0.564(11) 1 calc PR E 1
C22E C 0.115(10) 0.599(8) 0.408(8) 0.074(8) Uiso 0.564(11) 1 d PGD E 1
H22B H 0.0801 0.6182 0.3945 0.088 Uiso 0.564(11) 1 calc PR E 1
C23E C 0.101(8) 0.553(9) 0.422(11) 0.16(2) Uiso 0.564(11) 1 d PGD E 1
H23B H 0.0572 0.5405 0.4177 0.193 Uiso 0.564(11) 1 calc PR E 1
C24E C 0.154(9) 0.524(6) 0.443(10) 0.096(11) Uiso 0.564(11) 1 d PGD E 1
H24A H 0.1444 0.4932 0.4518 0.116 Uiso 0.564(11) 1 calc PR E 1
Cl8 Cl 0.284(8) 0.507(6) 0.475(6) 0.159(6) Uiso 0.564(11) 1 d PD E 1
C19F C 0.283(9) 0.542(6) 0.449(6) 0.115(18) Uiso 0.436(11) 1 d PGD E 2
C20F C 0.349(10) 0.524(8) 0.442(12) 0.095(14) Uiso 0.436(11) 1 d PGD E 2
H20 H 0.3582 0.4929 0.4519 0.114 Uiso 0.436(11) 1 calc PR E 2
C21F C 0.401(10) 0.552(11) 0.422(14) 0.16(3) Uiso 0.436(11) 1 d PGD E 2
H21 H 0.4455 0.5401 0.4175 0.189 Uiso 0.436(11) 1 calc PR E 2
C22F C 0.388(13) 0.599(10) 0.408(11) 0.071(11) Uiso 0.436(11) 1 d PGD E 2
H22A H 0.4227 0.6177 0.3940 0.085 Uiso 0.436(11) 1 calc PR E 2
C23F C 0.322(14) 0.617(8) 0.414(12) 0.095(14) Uiso 0.436(11) 1 d PGD E 2
H23A H 0.3126 0.6482 0.4050 0.114 Uiso 0.436(11) 1 calc PR E 2
C24F C 0.269(11) 0.589(7) 0.435(11) 0.068(10) Uiso 0.436(11) 1 d PGD E 2
H24 H 0.2253 0.6010 0.4393 0.081 Uiso 0.436(11) 1 calc PR E 2
Cl8A Cl 0.218(10) 0.507(7) 0.475(8) 0.149(7) Uiso 0.436(11) 1 d PD E 2
C0AA C 0.180(7) -0.037(5) 0.302(5) 0.035(3) Uani 1 1 d U . .
C1AA C 0.319(7) -0.036(5) 0.302(5) 0.036(3) Uani 1 1 d U . .
C2AA C 0.186(7) -0.035(5) 0.202(5) 0.038(3) Uani 1 1 d U . .
C3AA C 0.314(7) -0.034(5) 0.202(5) 0.037(3) Uani 1 1 d U . .
C4AA C 0.186(8) 0.036(5) 0.131(6) 0.044(3) Uani 1 1 d U . .
C5AA C 0.313(8) 0.037(5) 0.131(6) 0.045(3) Uani 1 1 d U . .
C6AA C 0.406(8) 0.072(5) 0.183(6) 0.048(3) Uani 1 1 d U . .
C7AA C 0.321(7) 0.122(5) 0.139(6) 0.043(3) Uani 1 1 d U . .
C8AA C 0.178(7) 0.122(5) 0.139(6) 0.044(3) Uani 1 1 d U . .
C9AA C 0.093(8) 0.073(6) 0.183(6) 0.050(3) Uani 1 1 d U . .
C0BA C 0.119(8) 0.028(5) 0.344(6) 0.045(3) Uani 1 1 d U . .
C1BA C 0.320(8) 0.021(5) 0.376(6) 0.047(3) Uani 1 1 d U . .
C2BA C 0.179(8) 0.021(5) 0.376(6) 0.045(3) Uani 1 1 d U . .
C3BA C 0.182(7) 0.180(5) 0.213(5) 0.039(3) Uani 1 1 d U . .
C4BA C 0.317(7) 0.180(5) 0.213(5) 0.038(3) Uani 1 1 d U . .
C5BA C 0.285(8) -0.050(5) 0.253(6) 0.044(3) Uani 1 1 d U . .
C6BA C 0.128(8) 0.032(5) 0.162(6) 0.048(3) Uani 1 1 d U . .
C C 0.214(8) -0.051(5) 0.253(6) 0.044(3) Uani 1 1 d U . .
C7BA C 0.127(8) 0.111(6) 0.353(6) 0.052(3) Uani 1 1 d U . .
C8BA C 0.382(8) 0.150(6) 0.218(6) 0.053(3) Uani 1 1 d U . .
C9BA C 0.120(8) -0.008(6) 0.299(6) 0.052(3) Uani 1 1 d U . .
C0CA C 0.381(8) 0.116(5) 0.172(6) 0.045(3) Uani 1 1 d U . .
C1CA C 0.286(8) 0.194(5) 0.261(6) 0.047(3) Uani 1 1 d U . .
C2CA C 0.212(8) 0.194(5) 0.261(6) 0.048(3) Uani 1 1 d U . .
C3CA C 0.313(7) 0.177(5) 0.314(5) 0.038(3) Uani 1 1 d U . .
C4CA C 0.185(7) 0.177(5) 0.313(5) 0.039(3) Uani 1 1 d U . .
C5CA C 0.287(8) 0.083(6) 0.119(6) 0.051(3) Uani 1 1 d U . .
C6CA C 0.118(8) 0.115(5) 0.172(6) 0.046(3) Uani 1 1 d U . .
C7CA C 0.370(9) 0.151(6) 0.313(7) 0.055(4) Uani 1 1 d U . .
C8CA C 0.212(8) 0.083(6) 0.119(6) 0.050(3) Uani 1 1 d U . .
C9CA C 0.128(8) 0.150(6) 0.312(6) 0.053(3) Uani 1 1 d U . .
C0DA C 0.118(9) 0.150(6) 0.218(7) 0.056(4) Uani 1 1 d U . .
C1DA C 0.404(9) 0.008(6) 0.249(7) 0.057(4) Uani 1 1 d U . .
C2DA C 0.093(9) 0.136(6) 0.265(7) 0.059(4) Uani 1 1 d U . .
C3DA C 0.372(8) 0.111(6) 0.353(7) 0.055(4) Uani 1 1 d U . .
C4DA C 0.381(8) -0.007(6) 0.298(6) 0.053(3) Uani 1 1 d U . .
C5DA C 0.186(7) 0.106(5) 0.385(6) 0.042(3) Uani 1 1 d U . .
C6DA C 0.313(7) 0.106(5) 0.386(6) 0.043(3) Uani 1 1 d U . .
C7DA C 0.381(8) 0.028(5) 0.344(6) 0.048(3) Uani 1 1 d U . .
C8DA C 0.095(8) 0.071(6) 0.332(7) 0.053(3) Uani 1 1 d U . .
C9DA C 0.285(8) -0.020(6) 0.350(6) 0.054(3) Uani 1 1 d U . .
C0EA C 0.128(9) -0.008(6) 0.203(7) 0.056(4) Uani 1 1 d U . .
C1EA C 0.404(8) 0.070(6) 0.332(6) 0.052(3) Uani 1 1 d U . .
C2EA C 0.287(9) 0.060(6) 0.398(7) 0.058(4) Uani 1 1 d U . .
C3EA C 0.373(8) 0.033(5) 0.162(6) 0.048(3) Uani 1 1 d U . .
C4EA C 0.427(11) 0.056(7) 0.240(8) 0.075(5) Uani 1 1 d U . .
C5EA C 0.211(9) 0.059(6) 0.398(7) 0.057(4) Uani 1 1 d U . .
C6EA C 0.283(9) 0.164(6) 0.166(7) 0.058(4) Uani 1 1 d U . .
C7EA C 0.405(9) 0.136(6) 0.266(7) 0.059(4) Uani 1 1 d U . .
C8EA C 0.216(9) -0.020(6) 0.350(7) 0.055(4) Uani 1 1 d U . .
C9EA C 0.095(9) 0.007(6) 0.249(7) 0.061(4) Uani 1 1 d U . .
C0FA C 0.071(10) 0.057(7) 0.239(8) 0.073(5) Uani 1 1 d U . .
C1FA C 0.372(9) -0.007(6) 0.203(7) 0.055(4) Uani 1 1 d U . .
C2FA C 0.250(10) -0.025(7) 0.168(8) 0.067(4) Uani 1 1 d U . .
C3FA C 0.248(11) 0.168(7) 0.347(8) 0.074(5) Uani 1 1 d U . .
C4FA C 0.250(11) 0.009(7) 0.134(8) 0.078(5) Uani 1 1 d U . .
C5FA C 0.072(10) 0.086(7) 0.275(8) 0.071(4) Uani 1 1 d U . .
C6FA C 0.428(10) 0.087(7) 0.275(8) 0.073(5) Uani 1 1 d U . .
C7FA C 0.248(11) 0.134(7) 0.382(8) 0.077(5) Uani 1 1 d U . .
C8FA C 0.216(9) 0.164(6) 0.166(7) 0.057(4) Uani 1 1 d U . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.38(13) . ?
C1 C20 1.40(14) . ?
C1 C2 1.45(14) . ?
C1C C6C 1.4(2) . ?
C1C C5C 1.4(2) . ?
C1C C2C 1.5(2) . ?
C2 C3 1.35(14) . ?
C2 H2 0.9300 . ?
C2C C9C 1.3(2) . ?
C2C C3C 1.4(2) . ?
C3 C4 1.44(14) . ?
C3 H3 0.9300 . ?
C3C C12C 1.4(2) . ?
C3C C4C 1.5(2) . ?
C4 N1 1.36(13) . ?
C4 C5 1.42(14) . ?
C4C C15C 1.4(2) . ?
C4C C5C 1.5(2) . ?
C5 C6 1.41(14) . ?
C5 C21 1.50(14) . ?
C5C C18C 1.4(2) . ?
C6 N2 1.37(13) . ?
C6 C7 1.45(14) . ?
C6C C7C 1.5(2) . ?
C6C C20C 1.5(2) . ?
C7 C8 1.33(15) . ?
C7 H7 0.9300 . ?
C7C C8C 1.4(2) . ?
C7C C22C 1.4(2) . ?
C8 C9 1.47(14) . ?
C8 H8 0.9300 . ?
C8C C23C 1.4(2) . ?
C8C C9C 1.5(2) . ?
C9 N2 1.38(12) . ?
C9 C10 1.40(14) . ?
C9C C10C 1.5(2) . ?
C10 C11 1.41(14) . ?
C10 C27 1.50(14) . ?
C10C C11C 1.4(2) . ?
C10C C24C 1.4(2) . ?
C11 N3 1.36(12) . ?
C11 C12 1.44(14) . ?
C11C C12C 1.5(2) . ?
C11C C25C 1.5(2) . ?
C12 C13 1.34(15) . ?
C12 H12 0.9300 . ?
C12C C13C 1.5(2) . ?
C13 C14 1.45(14) . ?
C13 H13 0.9300 . ?
C13C C14C 1.4(2) . ?
C13C C26C 1.5(2) . ?
C14 N3 1.38(12) . ?
C14 C15 1.41(14) . ?
C14C C27C 1.4(2) . ?
C14C C15C 1.5(2) . ?
C15 C16 1.41(14) . ?
C15 C33 1.50(14) . ?
C15C C16C 1.4(2) . ?
C16 N4 1.38(13) . ?
C16 C17 1.45(14) . ?
C16C C17C 1.3(2) . ?
C16C C28C 1.4(2) . ?
C17 C18 1.34(15) . ?
C17 H17 0.9300 . ?
C17C C18C 1.5(2) . ?
C17C C29C 1.5(2) . ?
C18 C19 1.43(14) . ?
C18 H18 0.9300 . ?
C18C C19C 1.4(2) . ?
C19 N4 1.36(13) . ?
C19 C20 1.43(13) . ?
C19C C20C 1.4(2) . ?
C19C C30C 1.5(2) . ?
C20 C39 1.50(14) . ?
C20C C21C 1.4(2) . ?
C21 C22 1.38(16) . ?
C21 C26 1.40(15) . ?
C21C C40C 1.4(2) . ?
C21C C22C 1.5(2) . ?
C22 C23 1.38(17) . ?
C22 H22 0.9300 . ?
C22C C31C 1.4(2) . ?
C23 C24 1.39(18) . ?
C23 H23 0.9300 . ?
C23C C32C 1.4(2) . ?
C23C C24C 1.5(2) . ?
C24 C25 1.37(17) . ?
C24 Cl1 1.74(12) . ?
C24C C33C 1.4(2) . ?
C25 C26 1.37(16) . ?
C25 H25 0.9300 . ?
C25C C34C 1.4(2) . ?
C25C C26C 1.5(2) . ?
C26 H26 0.9300 . ?
C26C C35C 1.4(2) . ?
C27 C28 1.38(16) . ?
C27 C32 1.39(16) . ?
C27C C36C 1.4(2) . ?
C27C C28C 1.5(2) . ?
C28 C29 1.39(18) . ?
C28 H28 0.9300 . ?
C28C C37C 1.4(2) . ?
C29 C30 1.37(18) . ?
C29 H29 0.9300 . ?
C29C C38C 1.4(2) . ?
C29C C30C 1.4(2) . ?
C30 C31 1.36(18) . ?
C30 Cl2 1.74(12) . ?
C30C C39C 1.4(2) . ?
C31 C32 1.39(17) . ?
C31 H31 0.9300 . ?
C31C C42C 1.4(2) . ?
C31C C32C 1.5(2) . ?
C32 H32 0.9300 . ?
C32C C44C 1.4(2) . ?
C33 C38 1.39(16) . ?
C33 C34 1.39(16) . ?
C33C C45C 1.5(2) . ?
C33C C34C 1.5(2) . ?
C34 C35 1.40(18) . ?
C34 H34 0.9300 . ?
C34C C47C 1.5(2) . ?
C35 C36 1.37(18) . ?
C35 H35 0.9300 . ?
C35C C48C 1.4(2) . ?
C35C C36C 1.5(2) . ?
C36 C37 1.37(18) . ?
C36 Cl3 1.74(12) . ?
C36C C50C 1.5(2) . ?
C37 C38 1.39(17) . ?
C37 H37 0.9300 . ?
C37C C38C 1.4(2) . ?
C37C C51C 1.5(2) . ?
C38 H38 0.9300 . ?
C38C C53C 1.5(2) . ?
C39 C44 1.37(16) . ?
C39 C40 1.40(15) . ?
C39C C54C 1.5(2) . ?
C39C C40C 1.5(2) . ?
C40 C41 1.37(16) . ?
C40 H40 0.9300 . ?
C40C C41C 1.5(2) . ?
C41 C42 1.38(17) . ?
C41 H41 0.9300 . ?
C41C C42C 1.4(2) . ?
C41C C55C 1.4(2) . ?
C42C C43C 1.5(2) . ?
C42 C43 1.38(18) . ?
C42 Cl4 1.74(12) . ?
C43 C44 1.38(17) . ?
C43 H43 0.9300 . ?
C43C C59C 1.3(2) . ?
C43C C44C 1.5(2) . ?
C44 H44 0.9300 . ?
C44C C45C 1.4(2) . ?
C45C C46C 1.4(2) . ?
C46C C60C 1.4(2) . ?
C46C C47C 1.5(2) . ?
C47C C48C 1.4(2) . ?
C48C C49C 1.5(2) . ?
C49C C56C 1.4(2) . ?
C49C C50C 1.5(2) . ?
C50C C51C 1.3(2) . ?
C51C C52C 1.5(2) . ?
C52C C57C 1.4(2) . ?
C52C C53C 1.5(2) . ?
C53C C54C 1.4(2) . ?
C54C C55C 1.5(2) . ?
C55C C58C 1.4(2) . ?
C56C C60C 1.4(2) . ?
C56C C57C 1.5(2) . ?
C57C C58C 1.4(2) . ?
C58C C59C 1.5(2) . ?
C59C C60C 1.5(2) . ?
C45 N12 1.3(3) . ?
C45 C46 1.5(3) . ?
C45 N5 1.6(2) . ?
C46 C51 1.4(3) . ?
C46 C47 1.4(3) . ?
C47 C48 1.4(3) . ?
C47 H47 0.9300 . ?
C48 C49 1.4(3) . ?
C48 H48 0.9300 . ?
C49 C50 1.4(3) . ?
C49 H49 0.9300 . ?
C50 C51 1.4(3) . ?
C50 H50 0.9300 . ?
C51 C52 1.4(3) . ?
C52 N5 1.2(2) . ?
C52 N6 1.4(3) . ?
C53 N6 1.3(3) . ?
C53 C54 1.5(3) . ?
C53 N7 1.6(2) . ?
C54 C55 1.4(3) . ?
C54 C59 1.4(3) . ?
C55 C56 1.4(3) . ?
C55 H55 0.9300 . ?
C56 C57 1.4(3) . ?
C56 H56 0.9300 . ?
C57 C58 1.4(3) . ?
C57 H57 0.9300 . ?
C58 C59 1.4(3) . ?
C58 H58 0.9300 . ?
C59 C60 1.5(3) . ?
C60 N7 1.2(2) . ?
C60 N8 1.3(3) . ?
C61 N8 1.3(3) . ?
C61 N9 1.5(2) . ?
C61 C62 1.5(3) . ?
C62 C63 1.4(3) . ?
C62 C67 1.4(3) . ?
C63 C64 1.4(3) . ?
C63 H63 0.9300 . ?
C64 C65 1.4(3) . ?
C64 H64 0.9300 . ?
C65 C66 1.4(3) . ?
C65 H65 0.9300 . ?
C66 C67 1.4(3) . ?
C66 H66 0.9300 . ?
C67 C68 1.5(3) . ?
C68 N9 1.25(19) . ?
C68 N10 1.3(2) . ?
C69 N10 1.4(2) . ?
C69 C70 1.4(3) . ?
C69 N11 1.5(2) . ?
C70 C71 1.4(3) . ?
C70 C75 1.4(3) . ?
C71 C72 1.4(3) . ?
C71 H71 0.9300 . ?
C72 C73 1.4(3) . ?
C72 H72 0.9300 . ?
C73 C74 1.4(3) . ?
C73 H73 0.9300 . ?
C74 C75 1.4(3) . ?
C74 H74 0.9300 . ?
C75 C76 1.5(3) . ?
C76 N11 1.3(2) . ?
C76 N12 1.3(3) . ?
C45A N5 1.1(3) . ?
C45A N12A 1.4(3) . ?
C45A C46A 1.5(4) . ?
C46A C47A 1.4(4) . ?
C46A C51A 1.5(4) . ?
C47A C48A 1.4(4) . ?
C47A H47A 0.9300 . ?
C48A C49A 1.4(4) . ?
C48A H48A 0.9300 . ?
C49A C50A 1.4(4) . ?
C49A H49A 0.9300 . ?
C50A C51A 1.4(4) . ?
C50A H50A 0.9300 . ?
C51A C52A 1.4(4) . ?
C52A N6A 1.4(4) . ?
C52A N5 1.6(3) . ?
C53A N7 1.2(3) . ?
C53A N6A 1.3(4) . ?
C53A C54A 1.5(4) . ?
C54A C55A 1.4(4) . ?
C54A C59A 1.4(4) . ?
C55A C56A 1.4(4) . ?
C55A H55A 0.9300 . ?
C56A C57A 1.4(4) . ?
C56A H56A 0.9300 . ?
C57A C58A 1.4(4) . ?
C57A H57A 0.9300 . ?
C58A C59A 1.4(3) . ?
C58A H58A 0.9300 . ?
C59A C60A 1.5(3) . ?
C60A N8A 1.3(3) . ?
C60A N7 1.7(3) . ?
C61A N8A 1.3(3) . ?
C61A N9 1.3(2) . ?
C61A C62A 1.5(3) . ?
C62A C67A 1.4(4) . ?
C62A C63A 1.4(4) . ?
C63A C64A 1.4(4) . ?
C63A H63A 0.9300 . ?
C64A C65A 1.4(4) . ?
C64A H64A 0.9300 . ?
C65A C66A 1.4(4) . ?
C65A H65A 0.9300 . ?
C66A C67A 1.4(4) . ?
C66A H66A 0.9300 . ?
C67A C68A 1.5(3) . ?
C68A N10A 1.2(4) . ?
C68A N9 1.6(3) . ?
C69A N11 1.2(3) . ?
C69A N10A 1.4(4) . ?
C69A C70A 1.4(4) . ?
C70A C71A 1.3(3) . ?
C70A C75A 1.5(3) . ?
C71A C72A 1.4(4) . ?
C71A H71A 0.9300 . ?
C72A C73A 1.4(4) . ?
C72A H72A 0.9300 . ?
C73A C74A 1.4(4) . ?
C73A H73A 0.9300 . ?
C74A C75A 1.4(3) . ?
C74A H74A 0.9300 . ?
C75A C76A 1.5(3) . ?
C76A N12A 1.3(3) . ?
C76A N11 1.5(3) . ?
Dy1 N1 2.41(8) . ?
Dy1 N9 2.43(9) . ?
Dy1 N3 2.44(8) . ?
Dy1 N4 2.44(8) . ?
Dy1 N2 2.44(8) . ?
Dy1 N11 2.45(9) . ?
Dy1 N7 2.46(10) . ?
Dy1 N5 2.47(10) . ?
C1E C2E 1.3900 . ?
C1E C6E 1.3900 . ?
C1E Cl5 1.72(6) . ?
C2E C3E 1.3900 . ?
C2E H2E 0.9300 . ?
C3E C4E 1.3900 . ?
C3E H3E 0.9300 . ?
C4E C5E 1.3900 . ?
C4E H4E 0.9300 . ?
C5E C6E 1.3900 . ?
C5E H5E 0.9300 . ?
C6E H6E 0.9300 . ?
Cl5A C1F 1.71(9) . ?
C1F C2F 1.3900 . ?
C1F C6F 1.3900 . ?
C2F C3F 1.3900 . ?
C2F H2F 0.9300 . ?
C3F C4F 1.3900 . ?
C3F H3F 0.9300 . ?
C4F C5F 1.3900 . ?
C4F H4F 0.9300 . ?
C5F C6F 1.3900(13) . ?
C5F H5F 0.9300 . ?
C6F H6F 0.9300 . ?
Cl6 C7E 1.71(7) . ?
C7E C8E 1.3900 . ?
C7E C12E 1.3900 . ?
C8E C9E 1.3900 . ?
C8E H8E 0.9300 . ?
C9E C10E 1.3900 . ?
C9E H9E 0.9300 . ?
C10E C11E 1.3900 . ?
C10E H10 0.9300 . ?
C11E C12E 1.3900 . ?
C11E H11 0.9300 . ?
C12E H12A 0.9300 . ?
Cl6A C7F 1.72(7) . ?
C7F C8F 1.3900(11) . ?
C7F C12F 1.3900 . ?
C8F C9F 1.3900 . ?
C8F H8F 0.9300 . ?
C9F C10F 1.3900 . ?
C9F H9F 0.9300 . ?
C10F C11F 1.3900 . ?
C10F H10A 0.9300 . ?
C11F C12F 1.3900 . ?
C11F H11A 0.9300 . ?
C12F H12B 0.9300 . ?
Cl7 C13E 1.69(8) . ?
C13E C14E 1.3900 . ?
C13E C18E 1.3900(10) . ?
C14E C15E 1.3900(15) . ?
C14E H14A 0.9300 . ?
C15E C16E 1.3900 . ?
C15E H15A 0.9300 . ?
C16E C17E 1.3900 . ?
C16E H16A 0.9300 . ?
C17E C18E 1.3900(11) . ?
C17E H17B 0.9300 . ?
C18E H18B 0.9300 . ?
C13F C14F 1.3900 . ?
C13F C18F 1.3900 . ?
C13F Cl7A 1.72(7) . ?
C14F C15F 1.3900 . ?
C14F H14 0.9300 . ?
C15F C16F 1.3900 . ?
C15F H15 0.9300 . ?
C16F C17F 1.390(2) . ?
C16F H16 0.9300 . ?
C17F C18F 1.3900(15) . ?
C17F H17A 0.9300 . ?
C18F H18A 0.9300 . ?
C19E C20E 1.3900(10) . ?
C19E C24E 1.3900 . ?
C19E Cl8 1.72(7) . ?
C20E C21E 1.3900 . ?
C20E H20A 0.9300 . ?
C21E C22E 1.3900(10) . ?
C21E H21A 0.9300 . ?
C22E C23E 1.3900 . ?
C22E H22B 0.9300 . ?
C23E C24E 1.3900 . ?
C23E H23B 0.9300 . ?
C24E H24A 0.9300 . ?
C19F C20F 1.3900(17) . ?
C19F C24F 1.3900 . ?
C19F Cl8A 1.74(7) . ?
C20F C21F 1.3900(15) . ?
C20F H20 0.9300 . ?
C21F C22F 1.3900 . ?
C21F H21 0.9300 . ?
C22F C23F 1.3900 . ?
C22F H22A 0.9300 . ?
C23F C24F 1.3900 . ?
C23F H23A 0.9300 . ?
C24F H24 0.9300 . ?
C0AA C9BA 1.4(2) . ?
C0AA C 1.43(19) . ?
C0AA C8EA 1.4(2) . ?
C1AA C5BA 1.42(19) . ?
C1AA C9DA 1.4(2) . ?
C1AA C4DA 1.4(2) . ?
C2AA C0EA 1.4(2) . ?
C2AA C 1.44(19) . ?
C2AA C2FA 1.5(2) . ?
C3AA C1FA 1.4(2) . ?
C3AA C5BA 1.45(19) . ?
C3AA C2FA 1.5(2) . ?
C4AA C6BA 1.4(2) . ?
C4AA C8CA 1.5(2) . ?
C4AA C4FA 1.5(2) . ?
C5AA C3EA 1.4(2) . ?
C5AA C5CA 1.4(2) . ?
C5AA C4FA 1.5(2) . ?
C6AA C0CA 1.3(2) . ?
C6AA C3EA 1.4(2) . ?
C6AA C4EA 1.5(2) . ?
C7AA C5CA 1.4(2) . ?
C7AA C0CA 1.4(2) . ?
C7AA C6EA 1.5(2) . ?
C8AA C8CA 1.4(2) . ?
C8AA C6CA 1.4(2) . ?
C8AA C8FA 1.5(2) . ?
C9AA C6CA 1.3(2) . ?
C9AA C6BA 1.4(2) . ?
C9AA C0FA 1.5(2) . ?
C0BA C8DA 1.3(2) . ?
C0BA C2BA 1.4(2) . ?
C0BA C9BA 1.5(2) . ?
C1BA C2EA 1.4(2) . ?
C1BA C7DA 1.4(2) . ?
C1BA C9DA 1.5(2) . ?
C2BA C5EA 1.4(2) . ?
C2BA C8EA 1.5(2) . ?
C3BA C2CA 1.4(2) . ?
C3BA C8FA 1.4(2) . ?
C3BA C0DA 1.5(2) . ?
C4BA C1CA 1.4(2) . ?
C4BA C6EA 1.4(2) . ?
C4BA C8BA 1.5(2) . ?
C5BA C 1.38(19) . ?
C6BA C0EA 1.5(2) . ?
C7BA C8DA 1.4(2) . ?
C7BA C5DA 1.4(2) . ?
C7BA C9CA 1.5(2) . ?
C8BA C7EA 1.3(2) . ?
C8BA C0CA 1.5(2) . ?
C9BA C9EA 1.4(2) . ?
C1CA C2CA 1.4(2) . ?
C1CA C3CA 1.5(2) . ?
C2CA C4CA 1.5(2) . ?
C3CA C7CA 1.3(2) . ?
C3CA C3FA 1.5(2) . ?
C4CA C9CA 1.3(2) . ?
C4CA C3FA 1.5(2) . ?
C5CA C8CA 1.5(2) . ?
C6CA C0DA 1.5(2) . ?
C7CA C7EA 1.4(2) . ?
C7CA C3DA 1.5(2) . ?
C9CA C2DA 1.4(2) . ?
C0DA C2DA 1.3(2) . ?
C1DA C1FA 1.4(2) . ?
C1DA C4DA 1.4(2) . ?
C1DA C4EA 1.5(3) . ?
C2DA C5FA 1.5(3) . ?
C3DA C6DA 1.4(2) . ?
C3DA C1EA 1.4(2) . ?
C4DA C7DA 1.5(2) . ?
C5DA C5EA 1.4(2) . ?
C5DA C7FA 1.5(2) . ?
C6DA C2EA 1.4(2) . ?
C6DA C7FA 1.5(2) . ?
C7DA C1EA 1.3(2) . ?
C8DA C5FA 1.5(2) . ?
C9DA C8EA 1.3(2) . ?
C0EA C9EA 1.4(2) . ?
C1EA C6FA 1.6(2) . ?
C2EA C5EA 1.5(2) . ?
C3EA C1FA 1.5(2) . ?
C4EA C6FA 1.2(3) . ?
C6EA C8FA 1.3(2) . ?
C7EA C6FA 1.5(3) . ?
C9EA C0FA 1.5(3) . ?
C0FA C5FA 1.2(3) . ?
C2FA C4FA 1.3(3) . ?
C3FA C7FA 1.3(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C20 126(9) . . ?
N1 C1 C2 109(9) . . ?
C20 C1 C2 124(9) . . ?
C6C C1C C5C 120(10) . . ?
C6C C1C C2C 119(10) . . ?
C5C C1C C2C 109(10) . . ?
C3 C2 C1 107(9) . . ?
C3 C2 H2 126.5 . . ?
C1 C2 H2 126.5 . . ?
C9C C2C C3C 121(10) . . ?
C9C C2C C1C 119(10) . . ?
C3C C2C C1C 107(10) . . ?
C2 C3 C4 107(9) . . ?
C2 C3 H3 126.6 . . ?
C4 C3 H3 126.6 . . ?
C12C C3C C2C 120(10) . . ?
C12C C3C C4C 120(10) . . ?
C2C C3C C4C 109(10) . . ?
N1 C4 C5 126(9) . . ?
N1 C4 C3 110(9) . . ?
C5 C4 C3 124(9) . . ?
C15C C4C C3C 119(10) . . ?
C15C C4C C5C 119(10) . . ?
C3C C4C C5C 107(10) . . ?
C6 C5 C4 125(9) . . ?
C6 C5 C21 117(9) . . ?
C4 C5 C21 117(9) . . ?
C18C C5C C1C 121(10) . . ?
C18C C5C C4C 120(10) . . ?
C1C C5C C4C 108(10) . . ?
N2 C6 C5 126(9) . . ?
N2 C6 C7 109(8) . . ?
C5 C6 C7 124(9) . . ?
C1C C6C C7C 121(10) . . ?
C1C C6C C20C 120(10) . . ?
C7C C6C C20C 106(10) . . ?
C8 C7 C6 108(9) . . ?
C8 C7 H7 126.2 . . ?
C6 C7 H7 126.2 . . ?
C8C C7C C22C 119(10) . . ?
C8C C7C C6C 120(10) . . ?
C22C C7C C6C 110(10) . . ?
C7 C8 C9 107(9) . . ?
C7 C8 H8 126.3 . . ?
C9 C8 H8 126.3 . . ?
C7C C8C C23C 120(10) . . ?
C7C C8C C9C 118(10) . . ?
C23C C8C C9C 110(10) . . ?
N2 C9 C10 127(9) . . ?
N2 C9 C8 108(8) . . ?
C10 C9 C8 124(9) . . ?
C2C C9C C8C 123(10) . . ?
C2C C9C C10C 120(10) . . ?
C8C C9C C10C 106(10) . . ?
C9 C10 C11 126(9) . . ?
C9 C10 C27 117(9) . . ?
C11 C10 C27 117(9) . . ?
C11C C10C C24C 121(10) . . ?
C11C C10C C9C 119(10) . . ?
C24C C10C C9C 108(10) . . ?
N3 C11 C10 125(9) . . ?
N3 C11 C12 110(8) . . ?
C10 C11 C12 124(9) . . ?
C10C C11C C12C 119(10) . . ?
C10C C11C C25C 120(10) . . ?
C12C C11C C25C 107(10) . . ?
C13 C12 C11 107(10) . . ?
C13 C12 H12 126.4 . . ?
C11 C12 H12 126.4 . . ?
C3C C12C C11C 120(10) . . ?
C3C C12C C13C 120(10) . . ?
C11C C12C C13C 109(10) . . ?
C12 C13 C14 107(9) . . ?
C12 C13 H13 126.4 . . ?
C14 C13 H13 126.4 . . ?
C14C C13C C12C 119(10) . . ?
C14C C13C C26C 119(10) . . ?
C12C C13C C26C 108(10) . . ?
N3 C14 C15 126(9) . . ?
N3 C14 C13 109(8) . . ?
C15 C14 C13 125(9) . . ?
C13C C14C C27C 120(10) . . ?
C13C C14C C15C 122(10) . . ?
C27C C14C C15C 108(10) . . ?
C14 C15 C16 126(9) . . ?
C14 C15 C33 117(9) . . ?
C16 C15 C33 117(9) . . ?
C4C C15C C16C 120(10) . . ?
C4C C15C C14C 120(10) . . ?
C16C C15C C14C 109(10) . . ?
N4 C16 C15 126(9) . . ?
N4 C16 C17 109(8) . . ?
C15 C16 C17 125(9) . . ?
C17C C16C C28C 121(10) . . ?
C17C C16C C15C 122(10) . . ?
C28C C16C C15C 108(10) . . ?
C18 C17 C16 107(9) . . ?
C18 C17 H17 126.3 . . ?
C16 C17 H17 126.3 . . ?
C16C C17C C18C 120(10) . . ?
C16C C17C C29C 119(10) . . ?
C18C C17C C29C 108(10) . . ?
C17 C18 C19 107(9) . . ?
C17 C18 H18 126.5 . . ?
C19 C18 H18 126.5 . . ?
C5C C18C C19C 119(10) . . ?
C5C C18C C17C 120(10) . . ?
C19C C18C C17C 109(10) . . ?
N4 C19 C18 111(8) . . ?
N4 C19 C20 125(9) . . ?
C18 C19 C20 124(9) . . ?
C20C C19C C18C 120(10) . . ?
C20C C19C C30C 121(10) . . ?
C18C C19C C30C 106(10) . . ?
C1 C20 C19 126(9) . . ?
C1 C20 C39 118(9) . . ?
C19 C20 C39 116(8) . . ?
C19C C20C C21C 121(10) . . ?
C19C C20C C6C 119(10) . . ?
C21C C20C C6C 108(10) . . ?
C22 C21 C26 118(10) . . ?
C22 C21 C5 123(9) . . ?
C26 C21 C5 120(9) . . ?
C40C C21C C20C 120(10) . . ?
C40C C21C C22C 121(10) . . ?
C20C C21C C22C 109(10) . . ?
C21 C22 C23 121(10) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C31C C22C C7C 124(10) . . ?
C31C C22C C21C 117(10) . . ?
C7C C22C C21C 107(10) . . ?
C22 C23 C24 119(10) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C32C C23C C8C 123(10) . . ?
C32C C23C C24C 117(10) . . ?
C8C C23C C24C 107(10) . . ?
C25 C24 C23 121(10) . . ?
C25 C24 Cl1 120(10) . . ?
C23 C24 Cl1 119(10) . . ?
C33C C24C C10C 120(10) . . ?
C33C C24C C23C 121(10) . . ?
C10C C24C C23C 109(10) . . ?
C24 C25 C26 119(10) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 H25 120.5 . . ?
C34C C25C C11C 120(10) . . ?
C34C C25C C26C 119(10) . . ?
C11C C25C C26C 110(10) . . ?
C25 C26 C21 122(10) . . ?
C25 C26 H26 119.2 . . ?
C21 C26 H26 119.2 . . ?
C35C C26C C13C 121(10) . . ?
C35C C26C C25C 120(10) . . ?
C13C C26C C25C 106(10) . . ?
C28 C27 C32 119(10) . . ?
C28 C27 C10 121(10) . . ?
C32 C27 C10 121(10) . . ?
C36C C27C C14C 121(10) . . ?
C36C C27C C28C 119(10) . . ?
C14C C27C C28C 107(10) . . ?
C27 C28 C29 121(10) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C37C C28C C16C 121(10) . . ?
C37C C28C C27C 118(10) . . ?
C16C C28C C27C 108(10) . . ?
C30 C29 C28 119(10) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C38C C29C C30C 121(10) . . ?
C38C C29C C17C 120(10) . . ?
C30C C29C C17C 106(10) . . ?
C31 C30 C29 121(10) . . ?
C31 C30 Cl2 120(10) . . ?
C29 C30 Cl2 119(10) . . ?
C39C C30C C29C 120(10) . . ?
C39C C30C C19C 119(10) . . ?
C29C C30C C19C 110(10) . . ?
C30 C31 C32 121(10) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C22C C31C C42C 123(10) . . ?
C22C C31C C32C 118(10) . . ?
C42C C31C C32C 107(10) . . ?
C27 C32 C31 120(10) . . ?
C27 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C23C C32C C44C 122(10) . . ?
C23C C32C C31C 117(10) . . ?
C44C C32C C31C 108(10) . . ?
C38 C33 C34 118(10) . . ?
C38 C33 C15 121(10) . . ?
C34 C33 C15 121(10) . . ?
C24C C33C C45C 121(10) . . ?
C24C C33C C34C 120(10) . . ?
C45C C33C C34C 106(10) . . ?
C33 C34 C35 121(10) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 H34 119.3 . . ?
C25C C34C C47C 120(10) . . ?
C25C C34C C33C 119(10) . . ?
C47C C34C C33C 109(10) . . ?
C36 C35 C34 119(10) . . ?
C36 C35 H35 120.6 . . ?
C34 C35 H35 120.6 . . ?
C26C C35C C48C 121(10) . . ?
C26C C35C C36C 119(10) . . ?
C48C C35C C36C 107(10) . . ?
C37 C36 C35 121(10) . . ?
C37 C36 Cl3 120(10) . . ?
C35 C36 Cl3 119(10) . . ?
C27C C36C C50C 120(10) . . ?
C27C C36C C35C 118(10) . . ?
C50C C36C C35C 109(10) . . ?
C36 C37 C38 120(10) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C28C C37C C38C 117(10) . . ?
C28C C37C C51C 120(10) . . ?
C38C C37C C51C 110(10) . . ?
C33 C38 C37 120(10) . . ?
C33 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C29C C38C C37C 122(10) . . ?
C29C C38C C53C 120(10) . . ?
C37C C38C C53C 107(10) . . ?
C44 C39 C40 118(10) . . ?
C44 C39 C20 122(10) . . ?
C40 C39 C20 119(9) . . ?
C30C C39C C54C 119(10) . . ?
C30C C39C C40C 120(10) . . ?
C54C C39C C40C 109(10) . . ?
C41 C40 C39 121(10) . . ?
C41 C40 H40 119.3 . . ?
C39 C40 H40 119.3 . . ?
C21C C40C C41C 121(10) . . ?
C21C C40C C39C 120(10) . . ?
C41C C40C C39C 107(10) . . ?
C40 C41 C42 119(10) . . ?
C40 C41 H41 120.6 . . ?
C42 C41 H41 120.6 . . ?
C42C C41C C55C 120(10) . . ?
C42C C41C C40C 118(10) . . ?
C55C C41C C40C 109(10) . . ?
C41C C42C C31C 120(10) . . ?
C41C C42C C43C 119(10) . . ?
C31C C42C C43C 110(10) . . ?
C41 C42 C43 121(10) . . ?
C41 C42 Cl4 119(10) . . ?
C43 C42 Cl4 119(10) . . ?
C42 C43 C44 119(10) . . ?
C42 C43 H43 120.3 . . ?
C44 C43 H43 120.3 . . ?
C59C C43C C42C 121(10) . . ?
C59C C43C C44C 121(10) . . ?
C42C C43C C44C 106(10) . . ?
C39 C44 C43 121(10) . . ?
C39 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C45C C44C C32C 121(10) . . ?
C45C C44C C43C 119(10) . . ?
C32C C44C C43C 109(10) . . ?
C44C C45C C46C 121(10) . . ?
C44C C45C C33C 118(10) . . ?
C46C C45C C33C 110(10) . . ?
C60C C46C C45C 120(10) . . ?
C60C C46C C47C 118(10) . . ?
C45C C46C C47C 109(10) . . ?
C48C C47C C34C 120(10) . . ?
C48C C47C C46C 121(10) . . ?
C34C C47C C46C 107(10) . . ?
C47C C48C C35C 120(10) . . ?
C47C C48C C49C 119(10) . . ?
C35C C48C C49C 110(10) . . ?
C56C C49C C50C 121(10) . . ?
C56C C49C C48C 118(10) . . ?
C50C C49C C48C 107(10) . . ?
C51C C50C C49C 121(10) . . ?
C51C C50C C36C 121(10) . . ?
C49C C50C C36C 107(10) . . ?
C50C C51C C37C 122(10) . . ?
C50C C51C C52C 120(10) . . ?
C37C C51C C52C 107(10) . . ?
C57C C52C C53C 118(10) . . ?
C57C C52C C51C 121(10) . . ?
C53C C52C C51C 107(10) . . ?
C54C C53C C38C 120(10) . . ?
C54C C53C C52C 120(10) . . ?
C38C C53C C52C 109(10) . . ?
C53C C54C C55C 121(10) . . ?
C53C C54C C39C 120(10) . . ?
C55C C54C C39C 107(10) . . ?
C58C C55C C41C 121(10) . . ?
C58C C55C C54C 118(10) . . ?
C41C C55C C54C 108(10) . . ?
C49C C56C C60C 122(10) . . ?
C49C C56C C57C 118(10) . . ?
C60C C56C C57C 108(10) . . ?
C52C C57C C58C 122(10) . . ?
C52C C57C C56C 119(10) . . ?
C58C C57C C56C 107(10) . . ?
C55C C58C C57C 120(10) . . ?
C55C C58C C59C 118(10) . . ?
C57C C58C C59C 109(10) . . ?
C43C C59C C60C 120(10) . . ?
C43C C59C C58C 121(10) . . ?
C60C C59C C58C 106(10) . . ?
C46C C60C C56C 121(10) . . ?
C46C C60C C59C 119(10) . . ?
C56C C60C C59C 110(10) . . ?
N12 C45 C46 123(10) . . ?
N12 C45 N5 131(10) . . ?
C46 C45 N5 105(10) . . ?
C51 C46 C47 122(10) . . ?
C51 C46 C45 107(10) . . ?
C47 C46 C45 130(10) . . ?
C48 C47 C46 116(10) . . ?
C48 C47 H47 121.8 . . ?
C46 C47 H47 121.8 . . ?
C47 C48 C49 122(10) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
C50 C49 C48 121(10) . . ?
C50 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C49 C50 C51 117(10) . . ?
C49 C50 H50 121.4 . . ?
C51 C50 H50 121.4 . . ?
C46 C51 C50 122(10) . . ?
C46 C51 C52 106(10) . . ?
C50 C51 C52 132(10) . . ?
N5 C52 N6 119(10) . . ?
N5 C52 C51 119(10) . . ?
N6 C52 C51 121(10) . . ?
N6 C53 C54 123(10) . . ?
N6 C53 N7 134(10) . . ?
C54 C53 N7 103(10) . . ?
C55 C54 C59 123(10) . . ?
C55 C54 C53 130(10) . . ?
C59 C54 C53 107(10) . . ?
C56 C55 C54 117(10) . . ?
C56 C55 H55 121.7 . . ?
C54 C55 H55 121.7 . . ?
C55 C56 C57 121(10) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 H56 119.6 . . ?
C58 C57 C56 123(10) . . ?
C58 C57 H57 118.5 . . ?
C56 C57 H57 118.5 . . ?
C57 C58 C59 118(10) . . ?
C57 C58 H58 120.9 . . ?
C59 C58 H58 120.9 . . ?
C58 C59 C54 118(10) . . ?
C58 C59 C60 136(10) . . ?
C54 C59 C60 106(10) . . ?
N7 C60 N8 124(10) . . ?
N7 C60 C59 116(10) . . ?
N8 C60 C59 120(10) . . ?
N8 C61 N9 134(10) . . ?
N8 C61 C62 119(10) . . ?
N9 C61 C62 106(10) . . ?
C63 C62 C67 123(10) . . ?
C63 C62 C61 132(10) . . ?
C67 C62 C61 105(10) . . ?
C62 C63 C64 116(10) . . ?
C62 C63 H63 122.2 . . ?
C64 C63 H63 122.2 . . ?
C65 C64 C63 123(10) . . ?
C65 C64 H64 118.3 . . ?
C63 C64 H64 118.3 . . ?
C64 C65 C66 119(10) . . ?
C64 C65 H65 120.3 . . ?
C66 C65 H65 120.3 . . ?
C67 C66 C65 119(10) . . ?
C67 C66 H66 120.7 . . ?
C65 C66 H66 120.7 . . ?
C66 C67 C62 120(10) . . ?
C66 C67 C68 133(10) . . ?
C62 C67 C68 107(10) . . ?
N9 C68 N10 127(10) . . ?
N9 C68 C67 112(10) . . ?
N10 C68 C67 121(10) . . ?
N10 C69 C70 116(10) . . ?
N10 C69 N11 130(10) . . ?
C70 C69 N11 114(10) . . ?
C71 C70 C75 120(10) . . ?
C71 C70 C69 137(10) . . ?
C75 C70 C69 102(10) . . ?
C70 C71 C72 118(10) . . ?
C70 C71 H71 120.8 . . ?
C72 C71 H71 120.8 . . ?
C71 C72 C73 122(10) . . ?
C71 C72 H72 119.2 . . ?
C73 C72 H72 119.2 . . ?
C74 C73 C72 122(10) . . ?
C74 C73 H73 119.0 . . ?
C72 C73 H73 119.0 . . ?
C73 C74 C75 116(10) . . ?
C73 C74 H74 122.2 . . ?
C75 C74 H74 122.2 . . ?
C70 C75 C74 122(10) . . ?
C70 C75 C76 108(10) . . ?
C74 C75 C76 129(10) . . ?
N11 C76 N12 125(10) . . ?
N11 C76 C75 113(10) . . ?
N12 C76 C75 122(10) . . ?
C53 N6 C52 123(10) . . ?
C61 N8 C60 122(10) . . ?
C68 N10 C69 121(10) . . ?
C45 N12 C76 122(10) . . ?
N5 C45A N12A 123(10) . . ?
N5 C45A C46A 120(10) . . ?
N12A C45A C46A 118(10) . . ?
C47A C46A C45A 138(10) . . ?
C47A C46A C51A 118(10) . . ?
C45A C46A C51A 104(10) . . ?
C46A C47A C48A 119(10) . . ?
C46A C47A H47A 120.6 . . ?
C48A C47A H47A 120.6 . . ?
C49A C48A C47A 123(10) . . ?
C49A C48A H48A 118.6 . . ?
C47A C48A H48A 118.6 . . ?
C48A C49A C50A 122(10) . . ?
C48A C49A H49A 119.2 . . ?
C50A C49A H49A 119.2 . . ?
C49A C50A C51A 116(10) . . ?
C49A C50A H50A 122.0 . . ?
C51A C50A H50A 122.0 . . ?
C50A C51A C52A 133(10) . . ?
C50A C51A C46A 122(10) . . ?
C52A C51A C46A 105(10) . . ?
N6A C52A C51A 119(10) . . ?
N6A C52A N5 135(10) . . ?
C51A C52A N5 106(10) . . ?
N7 C53A N6A 122(10) . . ?
N7 C53A C54A 117(10) . . ?
N6A C53A C54A 120(10) . . ?
C55A C54A C59A 121(10) . . ?
C55A C54A C53A 130(10) . . ?
C59A C54A C53A 108(10) . . ?
C54A C55A C56A 117(10) . . ?
C54A C55A H55A 121.5 . . ?
C56A C55A H55A 121.5 . . ?
C57A C56A C55A 120(10) . . ?
C57A C56A H56A 120.0 . . ?
C55A C56A H56A 120.0 . . ?
C58A C57A C56A 123(10) . . ?
C58A C57A H57A 118.6 . . ?
C56A C57A H57A 118.6 . . ?
C57A C58A C59A 116(10) . . ?
C57A C58A H58A 122.0 . . ?
C59A C58A H58A 122.0 . . ?
C54A C59A C58A 122(10) . . ?
C54A C59A C60A 107(10) . . ?
C58A C59A C60A 130(10) . . ?
N8A C60A C59A 124(10) . . ?
N8A C60A N7 130(10) . . ?
C59A C60A N7 105(10) . . ?
N8A C61A N9 122(10) . . ?
N8A C61A C62A 122(10) . . ?
N9 C61A C62A 115(10) . . ?
C67A C62A C63A 122(10) . . ?
C67A C62A C61A 109(10) . . ?
C63A C62A C61A 129(10) . . ?
C64A C63A C62A 115(10) . . ?
C64A C63A H63A 122.5 . . ?
C62A C63A H63A 122.5 . . ?
C63A C64A C65A 123(10) . . ?
C63A C64A H64A 118.6 . . ?
C65A C64A H64A 118.6 . . ?
C66A C65A C64A 122(10) . . ?
C66A C65A H65A 119.1 . . ?
C64A C65A H65A 119.1 . . ?
C67A C66A C65A 116(10) . . ?
C67A C66A H66A 122.0 . . ?
C65A C66A H66A 122.0 . . ?
C66A C67A C62A 123(10) . . ?
C66A C67A C68A 128(10) . . ?
C62A C67A C68A 108(10) . . ?
N10A C68A C67A 130(10) . . ?
N10A C68A N9 126(10) . . ?
C67A C68A N9 103(10) . . ?
N11 C69A N10A 119(10) . . ?
N11 C69A C70A 124(10) . . ?
N10A C69A C70A 117(10) . . ?
C71A C70A C69A 141(10) . . ?
C71A C70A C75A 119(10) . . ?
C69A C70A C75A 101(10) . . ?
C70A C71A C72A 122(10) . . ?
C70A C71A H71A 119.1 . . ?
C72A C71A H71A 119.1 . . ?
C71A C72A C73A 119(10) . . ?
C71A C72A H72A 120.7 . . ?
C73A C72A H72A 120.7 . . ?
C74A C73A C72A 122(10) . . ?
C74A C73A H73A 118.9 . . ?
C72A C73A H73A 118.9 . . ?
C75A C74A C73A 117(10) . . ?
C75A C74A H74A 121.6 . . ?
C73A C74A H74A 121.6 . . ?
C74A C75A C70A 122(10) . . ?
C74A C75A C76A 132(10) . . ?
C70A C75A C76A 106(10) . . ?
N12A C76A N11 138(10) . . ?
N12A C76A C75A 118(10) . . ?
N11 C76A C75A 104(10) . . ?
C53A N6A C52A 119(10) . . ?
C60A N8A C61A 124(10) . . ?
C68A N10A C69A 129(10) . . ?
C76A N12A C45A 119(10) . . ?
N1 Dy1 N9 143(3) . . ?
N1 Dy1 N3 116(3) . . ?
N9 Dy1 N3 80(3) . . ?
N1 Dy1 N4 75(3) . . ?
N9 Dy1 N4 79(3) . . ?
N3 Dy1 N4 74(3) . . ?
N1 Dy1 N2 74(3) . . ?
N9 Dy1 N2 142(3) . . ?
N3 Dy1 N2 74(3) . . ?
N4 Dy1 N2 119(3) . . ?
N1 Dy1 N11 143(3) . . ?
N9 Dy1 N11 69(3) . . ?
N3 Dy1 N11 79(3) . . ?
N4 Dy1 N11 142(3) . . ?
N2 Dy1 N11 79(3) . . ?
N1 Dy1 N7 81(3) . . ?
N9 Dy1 N7 70(3) . . ?
N3 Dy1 N7 144(3) . . ?
N4 Dy1 N7 81(3) . . ?
N2 Dy1 N7 141(3) . . ?
N11 Dy1 N7 106(3) . . ?
N1 Dy1 N5 82(3) . . ?
N9 Dy1 N5 107(3) . . ?
N3 Dy1 N5 142(3) . . ?
N4 Dy1 N5 143(3) . . ?
N2 Dy1 N5 80(3) . . ?
N11 Dy1 N5 69(3) . . ?
N7 Dy1 N5 68(3) . . ?
C4 N1 C1 106(8) . . ?
C4 N1 Dy1 124(6) . . ?
C1 N1 Dy1 123(6) . . ?
C6 N2 C9 107(8) . . ?
C6 N2 Dy1 126(6) . . ?
C9 N2 Dy1 125(6) . . ?
C11 N3 C14 106(8) . . ?
C11 N3 Dy1 124(6) . . ?
C14 N3 Dy1 123(6) . . ?
C19 N4 C16 106(8) . . ?
C19 N4 Dy1 127(6) . . ?
C16 N4 Dy1 126(6) . . ?
C45A N5 C52 81(10) . . ?
C45A N5 C52A 105(10) . . ?
C52 N5 C52A 27(10) . . ?
C45A N5 C45 23(10) . . ?
C52 N5 C45 102(10) . . ?
C52A N5 C45 127(10) . . ?
C45A N5 Dy1 138(10) . . ?
C52 N5 Dy1 133(10) . . ?
C52A N5 Dy1 115(10) . . ?
C45 N5 Dy1 115(9) . . ?
C53A N7 C60 84(10) . . ?
C53A N7 C53 26(10) . . ?
C60 N7 C53 108(10) . . ?
C53A N7 C60A 103(10) . . ?
C60 N7 C60A 21(10) . . ?
C53 N7 C60A 128(10) . . ?
C53A N7 Dy1 134(10) . . ?
C60 N7 Dy1 133(10) . . ?
C53 N7 Dy1 116(9) . . ?
C60A N7 Dy1 112(9) . . ?
C68 N9 C61A 89(10) . . ?
C68 N9 C61 109(10) . . ?
C61A N9 C61 20(10) . . ?
C68 N9 C68A 16(10) . . ?
C61A N9 C68A 105(10) . . ?
C61 N9 C68A 124(10) . . ?
C68 N9 Dy1 130(10) . . ?
C61A N9 Dy1 134(10) . . ?
C61 N9 Dy1 117(9) . . ?
C68A N9 Dy1 117(10) . . ?
C69A N11 C76 85(10) . . ?
C69A N11 C69 18(10) . . ?
C76 N11 C69 103(10) . . ?
C69A N11 C76A 106(10) . . ?
C76 N11 C76A 21(10) . . ?
C69 N11 C76A 123(10) . . ?
C69A N11 Dy1 136(10) . . ?
C76 N11 Dy1 133(10) . . ?
C69 N11 Dy1 121(9) . . ?
C76A N11 Dy1 115(10) . . ?
C2E C1E C6E 120.00(8) . . ?
C2E C1E Cl5 120(5) . . ?
C6E C1E Cl5 120(5) . . ?
C3E C2E C1E 120.0 . . ?
C3E C2E H2E 120.0 . . ?
C1E C2E H2E 120.0 . . ?
C2E C3E C4E 120.00(5) . . ?
C2E C3E H3E 120.0 . . ?
C4E C3E H3E 120.0 . . ?
C5E C4E C3E 120.00(7) . . ?
C5E C4E H4E 120.0 . . ?
C3E C4E H4E 120.0 . . ?
C4E C5E C6E 120.00(6) . . ?
C4E C5E H5E 120.0 . . ?
C6E C5E H5E 120.0 . . ?
C5E C6E C1E 120.0 . . ?
C5E C6E H6E 120.0 . . ?
C1E C6E H6E 120.0 . . ?
C2F C1F C6F 120.00(11) . . ?
C2F C1F Cl5A 121(8) . . ?
C6F C1F Cl5A 119(8) . . ?
C1F C2F C3F 120.00(8) . . ?
C1F C2F H2F 120.0 . . ?
C3F C2F H2F 120.0 . . ?
C4F C3F C2F 120.00(5) . . ?
C4F C3F H3F 120.0 . . ?
C2F C3F H3F 120.0 . . ?
C3F C4F C5F 120.00(10) . . ?
C3F C4F H4F 120.0 . . ?
C5F C4F H4F 120.0 . . ?
C4F C5F C6F 120.0 . . ?
C4F C5F H5F 120.0 . . ?
C6F C5F H5F 120.0 . . ?
C5F C6F C1F 120.00(8) . . ?
C5F C6F H6F 120.0 . . ?
C1F C6F H6F 120.0 . . ?
C8E C7E C12E 120.0 . . ?
C8E C7E Cl6 120(6) . . ?
C12E C7E Cl6 120(6) . . ?
C9E C8E C7E 120.00(6) . . ?
C9E C8E H8E 120.0 . . ?
C7E C8E H8E 120.0 . . ?
C8E C9E C10E 120.00(6) . . ?
C8E C9E H9E 120.0 . . ?
C10E C9E H9E 120.0 . . ?
C11E C10E C9E 120.00(6) . . ?
C11E C10E H10 120.0 . . ?
C9E C10E H10 120.0 . . ?
C10E C11E C12E 120.00(7) . . ?
C10E C11E H11 120.0 . . ?
C12E C11E H11 120.0 . . ?
C11E C12E C7E 120.0 . . ?
C11E C12E H12A 120.0 . . ?
C7E C12E H12A 120.0 . . ?
C8F C7F C12F 120.0 . . ?
C8F C7F Cl6A 120(6) . . ?
C12F C7F Cl6A 120(6) . . ?
C7F C8F C9F 120.00(9) . . ?
C7F C8F H8F 120.0 . . ?
C9F C8F H8F 120.0 . . ?
C8F C9F C10F 120.00(10) . . ?
C8F C9F H9F 120.0 . . ?
C10F C9F H9F 120.0 . . ?
C11F C10F C9F 120.00(6) . . ?
C11F C10F H10A 120.0 . . ?
C9F C10F H10A 120.0 . . ?
C12F C11F C10F 120.00(6) . . ?
C12F C11F H11A 120.0 . . ?
C10F C11F H11A 120.0 . . ?
C11F C12F C7F 120.00(10) . . ?
C11F C12F H12B 120.0 . . ?
C7F C12F H12B 120.0 . . ?
C14E C13E C18E 120.00(10) . . ?
C14E C13E Cl7 121(5) . . ?
C18E C13E Cl7 119(5) . . ?
C13E C14E C15E 120.0 . . ?
C13E C14E H14A 120.0 . . ?
C15E C14E H14A 120.0 . . ?
C16E C15E C14E 120.00(6) . . ?
C16E C15E H15A 120.0 . . ?
C14E C15E H15A 120.0 . . ?
C17E C16E C15E 120.00(13) . . ?
C17E C16E H16A 120.0 . . ?
C15E C16E H16A 120.0 . . ?
C16E C17E C18E 120.00(8) . . ?
C16E C17E H17B 120.0 . . ?
C18E C17E H17B 120.0 . . ?
C17E C18E C13E 120.0 . . ?
C17E C18E H18B 120.0 . . ?
C13E C18E H18B 120.0 . . ?
C14F C13F C18F 120.00(12) . . ?
C14F C13F Cl7A 120(6) . . ?
C18F C13F Cl7A 120(6) . . ?
C13F C14F C15F 120.00(6) . . ?
C13F C14F H14 120.0 . . ?
C15F C14F H14 120.0 . . ?
C16F C15F C14F 120.00(10) . . ?
C16F C15F H15 120.0 . . ?
C14F C15F H15 120.0 . . ?
C17F C16F C15F 120.00(15) . . ?
C17F C16F H16 120.0 . . ?
C15F C16F H16 120.0 . . ?
C16F C17F C18F 120.0 . . ?
C16F C17F H17A 120.0 . . ?
C18F C17F H17A 120.0 . . ?
C17F C18F C13F 120.00(9) . . ?
C17F C18F H18A 120.0 . . ?
C13F C18F H18A 120.0 . . ?
C20E C19E C24E 120.0 . . ?
C20E C19E Cl8 120(6) . . ?
C24E C19E Cl8 120(6) . . ?
C21E C20E C19E 120.00(13) . . ?
C21E C20E H20A 120.0 . . ?
C19E C20E H20A 120.0 . . ?
C20E C21E C22E 120.00(6) . . ?
C20E C21E H21A 120.0 . . ?
C22E C21E H21A 120.0 . . ?
C21E C22E C23E 120.0 . . ?
C21E C22E H22B 120.0 . . ?
C23E C22E H22B 120.0 . . ?
C24E C23E C22E 120.00(11) . . ?
C24E C23E H23B 120.0 . . ?
C22E C23E H23B 120.0 . . ?
C23E C24E C19E 120.0 . . ?
C23E C24E H24A 120.0 . . ?
C19E C24E H24A 120.0 . . ?
C20F C19F C24F 120.00(10) . . ?
C20F C19F Cl8A 120(6) . . ?
C24F C19F Cl8A 120(6) . . ?
C21F C20F C19F 120.00(9) . . ?
C21F C20F H20 120.0 . . ?
C19F C20F H20 120.0 . . ?
C20F C21F C22F 120.00(12) . . ?
C20F C21F H21 120.0 . . ?
C22F C21F H21 120.0 . . ?
C23F C22F C21F 120.00(10) . . ?
C23F C22F H22A 120.0 . . ?
C21F C22F H22A 120.0 . . ?
C22F C23F C24F 120.00(9) . . ?
C22F C23F H23A 120.0 . . ?
C24F C23F H23A 120.0 . . ?
C23F C24F C19F 120.00(10) . . ?
C23F C24F H24 120.0 . . ?
C19F C24F H24 120.0 . . ?
C9BA C0AA C 119(10) . . ?
C9BA C0AA C8EA 105(10) . . ?
C C0AA C8EA 124(10) . . ?
C5BA C1AA C9DA 124(10) . . ?
C5BA C1AA C4DA 120(10) . . ?
C9DA C1AA C4DA 104(10) . . ?
C0EA C2AA C 117(10) . . ?
C0EA C2AA C2FA 125(10) . . ?
C C2AA C2FA 104(10) . . ?
C1FA C3AA C5BA 118(10) . . ?
C1FA C3AA C2FA 125(10) . . ?
C5BA C3AA C2FA 103(10) . . ?
C6BA C4AA C8CA 118(10) . . ?
C6BA C4AA C4FA 128(10) . . ?
C8CA C4AA C4FA 102(10) . . ?
C3EA C5AA C5CA 118(10) . . ?
C3EA C5AA C4FA 129(10) . . ?
C5CA C5AA C4FA 101(10) . . ?
C0CA C6AA C3EA 119(10) . . ?
C0CA C6AA C4EA 123(10) . . ?
C3EA C6AA C4EA 103(10) . . ?
C5CA C7AA C0CA 119(10) . . ?
C5CA C7AA C6EA 123(10) . . ?
C0CA C7AA C6EA 104(10) . . ?
C8CA C8AA C6CA 119(10) . . ?
C8CA C8AA C8FA 122(10) . . ?
C6CA C8AA C8FA 105(10) . . ?
C6CA C9AA C6BA 118(10) . . ?
C6CA C9AA C0FA 125(10) . . ?
C6BA C9AA C0FA 102(10) . . ?
C8DA C0BA C2BA 122(10) . . ?
C8DA C0BA C9BA 117(10) . . ?
C2BA C0BA C9BA 109(10) . . ?
C2EA C1BA C7DA 119(10) . . ?
C2EA C1BA C9DA 125(10) . . ?
C7DA C1BA C9DA 104(10) . . ?
C5EA C2BA C0BA 120(10) . . ?
C5EA C2BA C8EA 124(10) . . ?
C0BA C2BA C8EA 104(10) . . ?
C2CA C3BA C8FA 126(10) . . ?
C2CA C3BA C0DA 116(10) . . ?
C8FA C3BA C0DA 107(10) . . ?
C1CA C4BA C6EA 126(10) . . ?
C1CA C4BA C8BA 117(10) . . ?
C6EA C4BA C8BA 106(10) . . ?
C C5BA C1AA 118(10) . . ?
C C5BA C3AA 113(10) . . ?
C1AA C5BA C3AA 118(10) . . ?
C4AA C6BA C9AA 122(10) . . ?
C4AA C6BA C0EA 116(10) . . ?
C9AA C6BA C0EA 111(10) . . ?
C5BA C C0AA 117(10) . . ?
C5BA C C2AA 112(10) . . ?
C0AA C C2AA 119(10) . . ?
C8DA C7BA C5DA 120(10) . . ?
C8DA C7BA C9CA 111(10) . . ?
C5DA C7BA C9CA 116(10) . . ?
C7EA C8BA C0CA 119(10) . . ?
C7EA C8BA C4BA 121(10) . . ?
C0CA C8BA C4BA 107(10) . . ?
C9EA C9BA C0AA 121(10) . . ?
C9EA C9BA C0BA 117(10) . . ?
C0AA C9BA C0BA 110(10) . . ?
C6AA C0CA C7AA 121(10) . . ?
C6AA C0CA C8BA 116(10) . . ?
C7AA C0CA C8BA 111(10) . . ?
C4BA C1CA C2CA 116(10) . . ?
C4BA C1CA C3CA 121(10) . . ?
C2CA C1CA C3CA 110(10) . . ?
C3BA C2CA C1CA 115(10) . . ?
C3BA C2CA C4CA 121(10) . . ?
C1CA C2CA C4CA 111(10) . . ?
C7CA C3CA C1CA 117(10) . . ?
C7CA C3CA C3FA 127(10) . . ?
C1CA C3CA C3FA 104(10) . . ?
C9CA C4CA C2CA 117(10) . . ?
C9CA C4CA C3FA 126(10) . . ?
C2CA C4CA C3FA 104(10) . . ?
C7AA C5CA C5AA 119(10) . . ?
C7AA C5CA C8CA 117(10) . . ?
C5AA C5CA C8CA 112(10) . . ?
C9AA C6CA C8AA 123(10) . . ?
C9AA C6CA C0DA 116(10) . . ?
C8AA C6CA C0DA 109(10) . . ?
C3CA C7CA C7EA 126(10) . . ?
C3CA C7CA C3DA 115(10) . . ?
C7EA C7CA C3DA 108(10) . . ?
C8AA C8CA C5CA 120(10) . . ?
C8AA C8CA C4AA 119(10) . . ?
C5CA C8CA C4AA 110(10) . . ?
C4CA C9CA C2DA 126(10) . . ?
C4CA C9CA C7BA 115(10) . . ?
C2DA C9CA C7BA 109(10) . . ?
C2DA C0DA C3BA 123(10) . . ?
C2DA C0DA C6CA 117(10) . . ?
C3BA C0DA C6CA 108(10) . . ?
C1FA C1DA C4DA 119(10) . . ?
C1FA C1DA C4EA 107(10) . . ?
C4DA C1DA C4EA 123(10) . . ?
C0DA C2DA C9CA 117(10) . . ?
C0DA C2DA C5FA 122(10) . . ?
C9CA C2DA C5FA 107(10) . . ?
C6DA C3DA C1EA 119(10) . . ?
C6DA C3DA C7CA 116(10) . . ?
C1EA C3DA C7CA 112(10) . . ?
C1DA C4DA C1AA 120(10) . . ?
C1DA C4DA C7DA 117(10) . . ?
C1AA C4DA C7DA 110(10) . . ?
C7BA C5DA C5EA 119(10) . . ?
C7BA C5DA C7FA 126(10) . . ?
C5EA C5DA C7FA 104(10) . . ?
C3DA C6DA C2EA 120(10) . . ?
C3DA C6DA C7FA 127(10) . . ?
C2EA C6DA C7FA 101(10) . . ?
C1EA C7DA C1BA 122(10) . . ?
C1EA C7DA C4DA 117(10) . . ?
C1BA C7DA C4DA 108(10) . . ?
C0BA C8DA C7BA 120(10) . . ?
C0BA C8DA C5FA 124(10) . . ?
C7BA C8DA C5FA 105(10) . . ?
C8EA C9DA C1AA 117(10) . . ?
C8EA C9DA C1BA 118(10) . . ?
C1AA C9DA C1BA 113(10) . . ?
C9EA C0EA C2AA 125(10) . . ?
C9EA C0EA C6BA 109(10) . . ?
C2AA C0EA C6BA 114(10) . . ?
C7DA C1EA C3DA 122(10) . . ?
C7DA C1EA C6FA 126(10) . . ?
C3DA C1EA C6FA 102(10) . . ?
C1BA C2EA C6DA 119(10) . . ?
C1BA C2EA C5EA 117(10) . . ?
C6DA C2EA C5EA 111(10) . . ?
C6AA C3EA C5AA 122(10) . . ?
C6AA C3EA C1FA 111(10) . . ?
C5AA C3EA C1FA 115(10) . . ?
C6FA C4EA C1DA 123(10) . . ?
C6FA C4EA C6AA 116(10) . . ?
C1DA C4EA C6AA 110(10) . . ?
C2BA C5EA C5DA 119(10) . . ?
C2BA C5EA C2EA 118(10) . . ?
C5DA C5EA C2EA 109(10) . . ?
C8FA C6EA C4BA 118(10) . . ?
C8FA C6EA C7AA 119(10) . . ?
C4BA C6EA C7AA 112(10) . . ?
C8BA C7EA C7CA 119(10) . . ?
C8BA C7EA C6FA 121(10) . . ?
C7CA C7EA C6FA 108(10) . . ?
C9DA C8EA C0AA 119(10) . . ?
C9DA C8EA C2BA 117(10) . . ?
C0AA C8EA C2BA 112(10) . . ?
C0EA C9EA C9BA 119(10) . . ?
C0EA C9EA C0FA 106(10) . . ?
C9BA C9EA C0FA 123(10) . . ?
C5FA C0FA C9EA 120(10) . . ?
C5FA C0FA C9AA 117(10) . . ?
C9EA C0FA C9AA 111(10) . . ?
C1DA C1FA C3AA 125(10) . . ?
C1DA C1FA C3EA 109(10) . . ?
C3AA C1FA C3EA 114(10) . . ?
C4FA C2FA C2AA 121(10) . . ?
C4FA C2FA C3AA 120(10) . . ?
C2AA C2FA C3AA 108(10) . . ?
C7FA C3FA C4CA 119(10) . . ?
C7FA C3FA C3CA 119(10) . . ?
C4CA C3FA C3CA 110(10) . . ?
C2FA C4FA C4AA 116(10) . . ?
C2FA C4FA C5AA 116(10) . . ?
C4AA C4FA C5AA 115(10) . . ?
C0FA C5FA C2DA 122(10) . . ?
C0FA C5FA C8DA 119(10) . . ?
C2DA C5FA C8DA 108(10) . . ?
C4EA C6FA C7EA 124(10) . . ?
C4EA C6FA C1EA 115(10) . . ?
C7EA C6FA C1EA 110(10) . . ?
C3FA C7FA C5DA 117(10) . . ?
C3FA C7FA C6DA 116(10) . . ?
C5DA C7FA C6DA 114(10) . . ?
C6EA C8FA C3BA 119(10) . . ?
C6EA C8FA C8AA 119(10) . . ?
C3BA C8FA C8AA 111(10) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        62.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.685
_refine_diff_density_min         -1.456
_refine_diff_density_rms         0.156
_database_code_depnum_ccdc_archive 'CCDC 978332'
