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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xb0008_0m
_database_code_depnum_ccdc_archive 'CCDC 1543462'
_audit_update_record             
;
2017-04-11 deposited with the CCDC.	2019-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H54 Dy2 N8 O6'
_chemical_formula_weight         1236.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/n  '

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

_cell_length_a                   11.211(3)
_cell_length_b                   18.586(5)
_cell_length_c                   11.571(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.437(5)
_cell_angle_gamma                90.00
_cell_volume                     2395.8(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1914
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      23.82

_exptl_crystal_description       black
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.33
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1228
_exptl_absorpt_coefficient_mu    3.156
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.313
_exptl_absorpt_correction_T_max  0.353
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13129
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_sigmaI/netI    0.0958
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.99
_reflns_number_total             5229
_reflns_number_gt                3364
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5080
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0792
_refine_ls_wR_factor_ref         0.2021
_refine_ls_wR_factor_gt          0.1834
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_restrained_S_all      1.107
_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
O3 O 0.2750(7) -0.0883(4) 0.0434(7) 0.0484(19) Uani 1 1 d . . .
C23 C 0.3564(10) -0.1380(6) 0.0519(10) 0.043(3) Uani 1 1 d . . .
C24 C 0.4726(11) -0.1239(7) 0.0131(10) 0.050(3) Uani 1 1 d . . .
H24 H 0.4909 -0.0779 -0.0114 0.060 Uiso 1 1 calc R . .
C25 C 0.5549(10) -0.1773(7) 0.0122(10) 0.051(3) Uani 1 1 d . . .
H25 H 0.6284 -0.1671 -0.0142 0.061 Uiso 1 1 calc R . .
C26 C 0.5328(11) -0.2477(7) 0.0499(11) 0.054(3) Uani 1 1 d . . .
H26 H 0.5875 -0.2847 0.0430 0.065 Uiso 1 1 calc R . .
C27 C 0.4293(10) -0.2596(7) 0.0965(11) 0.051(3) Uani 1 1 d . . .
H27 H 0.4172 -0.3040 0.1301 0.061 Uiso 1 1 calc R . .
C22 C 0.3406(10) -0.2077(7) 0.0958(9) 0.044(3) Uani 1 1 d . . .
C21 C 0.2339(10) -0.2247(7) 0.1528(10) 0.046(3) Uani 1 1 d . . .
H21 H 0.2396 -0.2638 0.2034 0.055 Uiso 1 1 calc R . .
N4 N 0.1345(8) -0.1914(5) 0.1400(7) 0.041(2) Uani 1 1 d . . .
C20 C 0.0414(10) -0.2129(6) 0.2141(10) 0.047(3) Uani 1 1 d . . .
H20A H 0.0715 -0.2502 0.2683 0.056 Uiso 1 1 calc R . .
H20B H -0.0292 -0.2309 0.1668 0.056 Uiso 1 1 calc R . .
Dy1 Dy -0.07542(4) 0.09316(3) 0.00012(4) 0.0344(2) Uani 1 1 d . . .
N3 N -0.0404(7) -0.0890(4) 0.1992(7) 0.0349(19) Uani 1 1 d . . .
O2 O 0.0890(6) 0.0229(4) 0.0766(6) 0.0383(17) Uani 1 1 d . . .
O1 O 0.0607(6) 0.1788(4) 0.0450(7) 0.0453(19) Uani 1 1 d . . .
C12 C -0.0381(10) -0.0196(6) 0.2647(9) 0.040(3) Uani 1 1 d . . .
H12 H -0.0632 -0.0298 0.3415 0.048 Uiso 1 1 calc R . .
C14 C 0.1425(9) 0.0344(5) 0.1840(9) 0.035(2) Uani 1 1 d . . .
N1 N -0.1519(8) 0.1736(5) 0.1466(7) 0.044(2) Uani 1 1 d . . .
N2 N -0.1330(7) 0.0241(5) 0.2001(7) 0.038(2) Uani 1 1 d . . .
C13 C 0.0812(10) 0.0147(6) 0.2827(9) 0.038(2) Uani 1 1 d . . .
C10 C -0.2299(11) -0.0283(7) 0.1620(11) 0.052(3) Uani 1 1 d . . .
H10A H -0.2661 -0.0170 0.0839 0.063 Uiso 1 1 calc R . .
H10B H -0.2919 -0.0270 0.2141 0.063 Uiso 1 1 calc R . .
C11 C -0.1709(10) -0.1013(7) 0.1648(13) 0.056(3) Uani 1 1 d . . .
H11A H -0.2039 -0.1323 0.2209 0.067 Uiso 1 1 calc R . .
H11B H -0.1838 -0.1239 0.0889 0.067 Uiso 1 1 calc R . .
C6 C -0.0351(9) 0.2812(7) 0.1207(9) 0.042(3) Uani 1 1 d . . .
C4 C 0.0620(15) 0.3976(8) 0.1133(15) 0.075(4) Uani 1 1 d . . .
H4 H 0.0630 0.4465 0.1305 0.090 Uiso 1 1 calc R . .
C16 C 0.3069(12) 0.0783(7) 0.3145(13) 0.057(3) Uani 1 1 d . . .
H16 H 0.3823 0.0997 0.3255 0.068 Uiso 1 1 calc R . .
C5 C -0.0294(12) 0.3532(7) 0.1432(12) 0.058(3) Uani 1 1 d . . .
H5 H -0.0902 0.3737 0.1807 0.070 Uiso 1 1 calc R . .
C7 C -0.1280(10) 0.2397(6) 0.1656(9) 0.043(3) Uani 1 1 d . . .
H7 H -0.1757 0.2639 0.2137 0.051 Uiso 1 1 calc R . .
C3 C 0.1526(12) 0.3660(8) 0.0561(12) 0.064(4) Uani 1 1 d . . .
H3 H 0.2148 0.3943 0.0345 0.077 Uiso 1 1 calc R . .
C15 C 0.2554(11) 0.0656(7) 0.2051(10) 0.048(3) Uani 1 1 d . . .
H15 H 0.2965 0.0781 0.1425 0.058 Uiso 1 1 calc R . .
C17 C 0.2500(13) 0.0600(8) 0.4109(11) 0.062(4) Uani 1 1 d . . .
H17 H 0.2860 0.0687 0.4860 0.075 Uiso 1 1 calc R . .
C18 C 0.1378(11) 0.0283(7) 0.3915(10) 0.049(3) Uani 1 1 d . . .
H18 H 0.0990 0.0157 0.4555 0.059 Uiso 1 1 calc R . .
C1 C 0.0569(9) 0.2485(6) 0.0648(9) 0.037(2) Uani 1 1 d . . .
C19 C 0.0112(11) -0.1454(6) 0.2790(10) 0.051(3) Uani 1 1 d . . .
H19A H -0.0456 -0.1574 0.3333 0.061 Uiso 1 1 calc R . .
H19B H 0.0836 -0.1273 0.3233 0.061 Uiso 1 1 calc R . .
C8 C -0.2392(10) 0.1393(6) 0.2172(10) 0.046(3) Uani 1 1 d . . .
H8A H -0.3078 0.1209 0.1674 0.055 Uiso 1 1 calc R . .
H8B H -0.2673 0.1736 0.2711 0.055 Uiso 1 1 calc R . .
C2 C 0.1505(11) 0.2931(7) 0.0316(13) 0.064(4) Uani 1 1 d . . .
H2 H 0.2109 0.2731 -0.0070 0.077 Uiso 1 1 calc R . .
C9 C -0.1719(11) 0.0788(6) 0.2820(10) 0.046(3) Uani 1 1 d . . .
H9A H -0.1021 0.0979 0.3290 0.055 Uiso 1 1 calc R . .
H9B H -0.2231 0.0561 0.3337 0.055 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O3 C23 1.295(13) . ?
O3 Dy1 2.239(8) 3 ?
C23 C22 1.411(16) . ?
C23 C24 1.448(16) . ?
C24 C25 1.356(16) . ?
C25 C26 1.411(17) . ?
C26 C27 1.351(16) . ?
C27 C22 1.384(15) . ?
C22 C21 1.464(15) . ?
C21 N4 1.269(13) . ?
N4 C20 1.478(13) . ?
N4 Dy1 2.483(9) 3 ?
C20 C19 1.519(15) . ?
Dy1 O1 2.226(7) . ?
Dy1 O3 2.239(8) 3 ?
Dy1 O2 2.332(7) 3 ?
Dy1 O2 2.349(7) . ?
Dy1 N1 2.485(9) . ?
Dy1 N4 2.483(9) 3 ?
Dy1 N3 2.771(8) 3 ?
Dy1 N2 2.784(8) . ?
Dy1 Dy1 3.8538(13) 3 ?
N3 C19 1.473(14) . ?
N3 C12 1.495(14) . ?
N3 C11 1.491(14) . ?
N3 Dy1 2.771(8) 3 ?
O2 C14 1.335(12) . ?
O2 Dy1 2.332(7) 3 ?
O1 C1 1.317(12) . ?
C12 C13 1.476(15) . ?
C12 N2 1.473(13) . ?
C14 C15 1.388(15) . ?
C14 C13 1.444(14) . ?
N1 C7 1.271(14) . ?
N1 C8 1.487(13) . ?
N2 C9 1.488(13) . ?
N2 C10 1.488(14) . ?
C13 C18 1.368(14) . ?
C10 C11 1.509(17) . ?
C6 C5 1.364(17) . ?
C6 C1 1.415(14) . ?
C6 C7 1.438(15) . ?
C4 C5 1.389(19) . ?
C4 C3 1.40(2) . ?
C16 C15 1.353(17) . ?
C16 C17 1.39(2) . ?
C3 C2 1.384(18) . ?
C17 C18 1.383(17) . ?
C1 C2 1.423(16) . ?
C8 C9 1.507(15) . ?

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
C23 O3 Dy1 131.8(7) . 3 ?
O3 C23 C22 124.5(10) . . ?
O3 C23 C24 119.9(10) . . ?
C22 C23 C24 115.6(10) . . ?
C25 C24 C23 120.4(12) . . ?
C24 C25 C26 122.3(11) . . ?
C27 C26 C25 117.6(11) . . ?
C26 C27 C22 122.2(12) . . ?
C27 C22 C23 121.5(10) . . ?
C27 C22 C21 118.0(11) . . ?
C23 C22 C21 120.2(10) . . ?
N4 C21 C22 126.4(11) . . ?
C21 N4 C20 117.9(9) . . ?
C21 N4 Dy1 127.0(7) . 3 ?
C20 N4 Dy1 115.1(7) . 3 ?
N4 C20 C19 105.9(9) . . ?
O1 Dy1 O3 136.3(3) . 3 ?
O1 Dy1 O2 139.9(2) . 3 ?
O3 Dy1 O2 81.7(3) 3 3 ?
O1 Dy1 O2 79.7(3) . . ?
O3 Dy1 O2 141.6(3) 3 . ?
O2 Dy1 O2 69.2(3) 3 . ?
O1 Dy1 N1 72.0(3) . . ?
O3 Dy1 N1 76.4(3) 3 . ?
O2 Dy1 N1 143.5(3) 3 . ?
O2 Dy1 N1 113.2(3) . . ?
O1 Dy1 N4 75.6(3) . 3 ?
O3 Dy1 N4 72.3(3) 3 3 ?
O2 Dy1 N4 115.5(3) 3 3 ?
O2 Dy1 N4 142.7(3) . 3 ?
N1 Dy1 N4 85.1(3) . 3 ?
O1 Dy1 N3 80.9(3) . 3 ?
O3 Dy1 N3 111.2(3) 3 3 ?
O2 Dy1 N3 71.0(2) 3 3 ?
O2 Dy1 N3 82.9(2) . 3 ?
N1 Dy1 N3 144.5(3) . 3 ?
N4 Dy1 N3 66.0(3) 3 3 ?
O1 Dy1 N2 110.6(3) . . ?
O3 Dy1 N2 81.3(3) 3 . ?
O2 Dy1 N2 83.0(2) 3 . ?
O2 Dy1 N2 71.1(2) . . ?
N1 Dy1 N2 65.2(3) . . ?
N4 Dy1 N2 144.3(3) 3 . ?
N3 Dy1 N2 148.5(2) 3 . ?
O1 Dy1 Dy1 110.68(19) . 3 ?
O3 Dy1 Dy1 113.00(19) 3 3 ?
O2 Dy1 Dy1 34.74(17) 3 3 ?
O2 Dy1 Dy1 34.45(17) . 3 ?
N1 Dy1 Dy1 136.6(2) . 3 ?
N4 Dy1 Dy1 138.2(2) 3 3 ?
N3 Dy1 Dy1 74.19(17) 3 3 ?
N2 Dy1 Dy1 74.27(18) . 3 ?
C19 N3 C12 108.3(8) . . ?
C19 N3 C11 111.2(9) . . ?
C12 N3 C11 103.2(8) . . ?
C19 N3 Dy1 108.3(6) . 3 ?
C12 N3 Dy1 117.6(6) . 3 ?
C11 N3 Dy1 108.2(7) . 3 ?
C14 O2 Dy1 120.4(6) . 3 ?
C14 O2 Dy1 120.9(6) . . ?
Dy1 O2 Dy1 110.8(3) 3 . ?
C1 O1 Dy1 135.2(7) . . ?
C13 C12 N2 115.2(9) . . ?
C13 C12 N3 114.1(8) . . ?
N2 C12 N3 104.3(8) . . ?
O2 C14 C15 122.4(9) . . ?
O2 C14 C13 119.5(9) . . ?
C15 C14 C13 118.2(9) . . ?
C7 N1 C8 117.4(9) . . ?
C7 N1 Dy1 128.1(7) . . ?
C8 N1 Dy1 114.5(7) . . ?
C9 N2 C12 107.4(8) . . ?
C9 N2 C10 112.2(9) . . ?
C12 N2 C10 104.6(9) . . ?
C9 N2 Dy1 109.0(6) . . ?
C12 N2 Dy1 117.0(6) . . ?
C10 N2 Dy1 106.6(6) . . ?
C18 C13 C14 117.9(10) . . ?
C18 C13 C12 122.0(10) . . ?
C14 C13 C12 120.1(9) . . ?
N2 C10 C11 106.1(10) . . ?
N3 C11 C10 106.4(9) . . ?
C5 C6 C1 119.2(10) . . ?
C5 C6 C7 118.5(10) . . ?
C1 C6 C7 122.0(11) . . ?
C5 C4 C3 117.5(13) . . ?
C15 C16 C17 121.5(12) . . ?
C6 C5 C4 123.8(13) . . ?
N1 C7 C6 127.1(10) . . ?
C2 C3 C4 120.7(13) . . ?
C16 C15 C14 121.5(12) . . ?
C18 C17 C16 117.7(11) . . ?
C17 C18 C13 123.2(12) . . ?
O1 C1 C6 122.7(9) . . ?
O1 C1 C2 119.2(10) . . ?
C6 C1 C2 118.0(11) . . ?
N3 C19 C20 111.8(9) . . ?
N1 C8 C9 105.7(9) . . ?
C3 C2 C1 120.8(13) . . ?
N2 C9 C8 111.1(9) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        26.99
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         4.014
_refine_diff_density_min         -3.190
_refine_diff_density_rms         0.281
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xb0215_0m
_database_code_depnum_ccdc_archive 'CCDC 1543463'
_audit_update_record             
;
2017-04-11 deposited with the CCDC.	2019-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H58 Cl4 Dy2 N8 O6'
_chemical_formula_weight         1405.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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)/n

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

_cell_length_a                   12.399(3)
_cell_length_b                   12.348(3)
_cell_length_c                   18.779(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.274(4)
_cell_angle_gamma                90.00
_cell_volume                     2845.3(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2031
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      20.06

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1396
_exptl_absorpt_coefficient_mu    2.850
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.333
_exptl_absorpt_correction_T_max  0.425
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13941
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0962
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5269
_reflns_number_gt                3252
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.0859P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5269
_refine_ls_number_parameters     343
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0539
_refine_ls_wR_factor_ref         0.1622
_refine_ls_wR_factor_gt          0.1279
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.003
_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
Dy1 Dy 0.14437(4) 0.96532(4) 0.04288(2) 0.03661(18) Uani 1 1 d . . .
N3 N 0.1607(6) 1.0384(7) -0.0948(4) 0.0400(19) Uani 1 1 d . . .
O2 O 0.2417(5) 1.1156(6) 0.0703(3) 0.0461(17) Uani 1 1 d . . .
C4 C 0.3584(8) 0.9963(9) -0.0470(5) 0.044(2) Uani 1 1 d . . .
H4A H 0.4277 0.9740 -0.0605 0.052 Uiso 1 1 calc R . .
H4B H 0.3672 1.0676 -0.0252 0.052 Uiso 1 1 calc R . .
N4 N 0.3226(7) 0.9198(7) 0.0026(5) 0.047(2) Uani 1 1 d . . .
N2 N 0.0133(7) 0.9197(7) 0.1456(4) 0.039(2) Uani 1 1 d . . .
O3 O 0.1654(5) 0.7866(6) 0.0504(3) 0.0445(17) Uani 1 1 d . . .
N1 N 0.2469(7) 0.9420(7) 0.1653(4) 0.046(2) Uani 1 1 d . . .
C10 C 0.3361(9) 0.9907(9) 0.1951(6) 0.051(3) Uani 1 1 d . . .
H10 H 0.3671 0.9649 0.2399 0.061 Uiso 1 1 calc R . .
C11 C 0.0427(8) 0.8877(8) -0.1528(5) 0.041(2) Uani 1 1 d . . .
C40 C 0.3848(9) 0.8376(9) 0.0204(6) 0.052(3) Uani 1 1 d . . .
H40 H 0.4548 0.8414 0.0082 0.062 Uiso 1 1 calc R . .
C13 C 0.0716(8) 1.0046(8) -0.1530(5) 0.040(2) Uani 1 1 d . . .
H13 H 0.0969 1.0198 -0.1990 0.048 Uiso 1 1 calc R . .
C14 C -0.0382(8) 0.8139(8) 0.1246(6) 0.045(3) Uani 1 1 d . . .
H14A H -0.0025 0.7788 0.0881 0.054 Uiso 1 1 calc R . .
H14B H -0.0354 0.7662 0.1659 0.054 Uiso 1 1 calc R . .
C15 C 0.3921(9) 1.0802(9) 0.1664(6) 0.051(3) Uani 1 1 d . . .
C16 C 0.2720(9) 0.9985(9) -0.1118(6) 0.049(3) Uani 1 1 d . . .
H16A H 0.2634 0.9261 -0.1319 0.059 Uiso 1 1 calc R . .
H16B H 0.2957 1.0454 -0.1479 0.059 Uiso 1 1 calc R . .
C17 C 0.5428(9) 1.1972(12) 0.1765(7) 0.066(4) Uani 1 1 d . . .
H17 H 0.6130 1.2150 0.1976 0.080 Uiso 1 1 calc R . .
C18 C 0.3969(9) 1.2351(9) 0.0877(6) 0.054(3) Uani 1 1 d . . .
H18 H 0.3651 1.2792 0.0504 0.065 Uiso 1 1 calc R . .
C19 C 0.1512(10) 1.1580(8) -0.0962(6) 0.055(3) Uani 1 1 d . . .
H19A H 0.1702 1.1869 -0.0480 0.066 Uiso 1 1 calc R . .
H19B H 0.2005 1.1885 -0.1265 0.066 Uiso 1 1 calc R . .
C20 C -0.0150(10) 0.6711(10) -0.1520(7) 0.068(3) Uani 1 1 d . . .
H20 H -0.0346 0.5984 -0.1518 0.082 Uiso 1 1 calc R . .
C21 C 0.0817(8) 0.9123(10) 0.2162(5) 0.049(3) Uani 1 1 d . . .
H21A H 0.0458 0.8668 0.2477 0.059 Uiso 1 1 calc R . .
H21B H 0.0901 0.9839 0.2375 0.059 Uiso 1 1 calc R . .
C22 C 0.2465(10) 0.7204(9) 0.0652(5) 0.052(3) Uani 1 1 d . . .
C23 C 0.2253(11) 0.6156(9) 0.0930(6) 0.067(4) Uani 1 1 d D . .
H23 H 0.1551 0.5945 0.0988 0.081 Uiso 1 1 calc R . .
C24 C 0.1919(9) 0.8665(9) 0.2103(5) 0.056(3) Uani 1 1 d . . .
H24A H 0.2342 0.8595 0.2577 0.067 Uiso 1 1 calc R . .
H24B H 0.1847 0.7954 0.1882 0.067 Uiso 1 1 calc R . .
C25 C 0.3404(9) 1.1404(9) 0.1075(6) 0.052(3) Uani 1 1 d . . .
C26 C 0.4927(9) 1.2587(11) 0.1221(7) 0.067(4) Uani 1 1 d . . .
H26 H 0.5280 1.3203 0.1088 0.081 Uiso 1 1 calc R . .
C29 C 0.4198(14) 0.5656(12) 0.1004(8) 0.089(5) Uani 1 1 d U . .
H29 H 0.4742 0.5136 0.1101 0.106 Uiso 1 1 calc R . .
C32 C 0.3587(9) 0.7408(9) 0.0569(5) 0.050(3) Uani 1 1 d . . .
C30 C 0.4922(8) 1.1091(11) 0.2010(7) 0.060(3) Uani 1 1 d . . .
H30 H 0.5253 1.0698 0.2405 0.072 Uiso 1 1 calc R . .
C33 C 0.3148(12) 0.5461(10) 0.1111(7) 0.073(4) Uani 1 1 d DU . .
H33 H 0.3012 0.4804 0.1325 0.088 Uiso 1 1 calc R . .
C31 C 0.4406(11) 0.6662(11) 0.0743(7) 0.070(4) Uani 1 1 d . . .
H31 H 0.5115 0.6843 0.0683 0.084 Uiso 1 1 calc R . .
C34 C 0.0497(9) 0.8235(10) -0.2109(6) 0.057(3) Uani 1 1 d . . .
H34 H 0.0732 0.8536 -0.2514 0.068 Uiso 1 1 calc R . .
C36 C -0.0239(8) 0.7350(9) -0.0923(5) 0.047(3) Uani 1 1 d . . .
H36 H -0.0490 0.7051 -0.0523 0.057 Uiso 1 1 calc R . .
C37 C 0.0226(10) 0.7139(9) -0.2115(6) 0.063(3) Uani 1 1 d . . .
H37 H 0.0297 0.6707 -0.2511 0.076 Uiso 1 1 calc R . .
O1 O -0.0054(5) 0.9073(5) -0.0351(3) 0.0361(15) Uani 1 1 d . . .
C39 C 0.0045(7) 0.8426(8) -0.0925(5) 0.035(2) Uani 1 1 d . . .
Cl1 Cl 0.7248(5) 0.4779(6) 0.1665(3) 0.167(3) Uani 1 1 d . . .
Cl2 Cl 0.8650(6) 0.5595(4) 0.0637(3) 0.157(2) Uani 1 1 d . . .
C41 C 0.7722(15) 0.4599(12) 0.0850(8) 0.104(6) Uani 1 1 d . . .
H41A H 0.7101 0.4587 0.0471 0.125 Uiso 1 1 calc R . .
H41B H 0.8073 0.3896 0.0854 0.125 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.224(7) . ?
Dy1 O2 2.233(7) . ?
Dy1 O1 2.307(6) . ?
Dy1 O1 2.322(6) 3_575 ?
Dy1 N1 2.479(8) . ?
Dy1 N4 2.501(9) . ?
Dy1 N2 2.754(8) . ?
Dy1 N3 2.773(8) . ?
Dy1 Dy1 3.8060(11) 3_575 ?
N3 C19 1.480(12) . ?
N3 C13 1.497(12) . ?
N3 C16 1.541(13) . ?
O2 C25 1.354(12) . ?
C4 N4 1.441(13) . ?
C4 C16 1.502(14) . ?
N4 C40 1.289(13) . ?
N2 C13 1.429(13) 3_575 ?
N2 C21 1.470(12) . ?
N2 C14 1.482(12) . ?
O3 C22 1.295(12) . ?
N1 C10 1.312(13) . ?
N1 C24 1.488(13) . ?
C10 C15 1.450(16) . ?
C11 C34 1.362(14) . ?
C11 C39 1.403(13) . ?
C11 C13 1.488(14) . ?
C40 C32 1.439(15) . ?
C13 N2 1.429(13) 3_575 ?
C14 C19 1.467(14) 3_575 ?
C15 C30 1.363(15) . ?
C15 C25 1.407(15) . ?
C17 C26 1.350(17) . ?
C17 C30 1.369(17) . ?
C18 C26 1.300(14) . ?
C18 C25 1.439(15) . ?
C19 C14 1.467(14) 3_575 ?
C20 C37 1.376(16) . ?
C20 C36 1.388(15) . ?
C21 C24 1.497(15) . ?
C22 C23 1.433(15) . ?
C22 C32 1.444(16) . ?
C23 C33 1.406(13) . ?
C29 C33 1.37(2) . ?
C29 C31 1.373(19) . ?
C32 C31 1.375(15) . ?
C34 C37 1.394(15) . ?
C36 C39 1.374(13) . ?
O1 C39 1.362(10) . ?
O1 Dy1 2.322(6) 3_575 ?
Cl1 C41 1.731(17) . ?
Cl2 C41 1.770(17) . ?

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
O3 Dy1 O2 139.0(2) . . ?
O3 Dy1 O1 79.0(2) . . ?
O2 Dy1 O1 139.8(2) . . ?
O3 Dy1 O1 139.1(2) . 3_575 ?
O2 Dy1 O1 79.8(2) . 3_575 ?
O1 Dy1 O1 69.4(3) . 3_575 ?
O3 Dy1 N1 77.6(3) . . ?
O2 Dy1 N1 72.2(3) . . ?
O1 Dy1 N1 144.2(3) . . ?
O1 Dy1 N1 114.4(2) 3_575 . ?
O3 Dy1 N4 72.3(3) . . ?
O2 Dy1 N4 77.6(3) . . ?
O1 Dy1 N4 113.8(2) . . ?
O1 Dy1 N4 144.4(3) 3_575 . ?
N1 Dy1 N4 84.1(3) . . ?
O3 Dy1 N2 80.1(2) . . ?
O2 Dy1 N2 111.2(2) . . ?
O1 Dy1 N2 83.0(2) . . ?
O1 Dy1 N2 71.1(2) 3_575 . ?
N1 Dy1 N2 66.5(3) . . ?
N4 Dy1 N2 143.3(3) . . ?
O3 Dy1 N3 111.0(2) . . ?
O2 Dy1 N3 80.5(2) . . ?
O1 Dy1 N3 70.7(2) . . ?
O1 Dy1 N3 82.8(2) 3_575 . ?
N1 Dy1 N3 143.7(3) . . ?
N4 Dy1 N3 66.7(3) . . ?
N2 Dy1 N3 148.1(2) . . ?
O3 Dy1 Dy1 110.16(16) . 3_575 ?
O2 Dy1 Dy1 110.79(17) . 3_575 ?
O1 Dy1 Dy1 34.83(16) . 3_575 ?
O1 Dy1 Dy1 34.58(15) 3_575 3_575 ?
N1 Dy1 Dy1 138.1(2) . 3_575 ?
N4 Dy1 Dy1 137.8(2) . 3_575 ?
N2 Dy1 Dy1 74.24(16) . 3_575 ?
N3 Dy1 Dy1 73.91(16) . 3_575 ?
C19 N3 C13 102.5(8) . . ?
C19 N3 C16 112.8(8) . . ?
C13 N3 C16 110.4(7) . . ?
C19 N3 Dy1 109.0(6) . . ?
C13 N3 Dy1 116.4(6) . . ?
C16 N3 Dy1 106.1(5) . . ?
C25 O2 Dy1 136.5(7) . . ?
N4 C4 C16 106.5(8) . . ?
C40 N4 C4 117.1(9) . . ?
C40 N4 Dy1 128.4(8) . . ?
C4 N4 Dy1 114.6(7) . . ?
C13 N2 C21 106.9(8) 3_575 . ?
C13 N2 C14 107.9(8) 3_575 . ?
C21 N2 C14 110.8(8) . . ?
C13 N2 Dy1 116.8(6) 3_575 . ?
C21 N2 Dy1 108.8(6) . . ?
C14 N2 Dy1 105.6(6) . . ?
C22 O3 Dy1 136.1(7) . . ?
C10 N1 C24 118.2(9) . . ?
C10 N1 Dy1 129.1(7) . . ?
C24 N1 Dy1 112.6(6) . . ?
N1 C10 C15 127.7(10) . . ?
C34 C11 C39 118.9(10) . . ?
C34 C11 C13 121.3(10) . . ?
C39 C11 C13 119.8(9) . . ?
N4 C40 C32 127.6(10) . . ?
N2 C13 C11 116.9(8) 3_575 . ?
N2 C13 N3 102.9(7) 3_575 . ?
C11 C13 N3 114.9(8) . . ?
C19 C14 N2 103.9(9) 3_575 . ?
C30 C15 C25 121.2(12) . . ?
C30 C15 C10 118.3(11) . . ?
C25 C15 C10 120.4(10) . . ?
C4 C16 N3 113.2(8) . . ?
C26 C17 C30 121.2(11) . . ?
C26 C18 C25 119.9(13) . . ?
C14 C19 N3 108.2(9) 3_575 . ?
C37 C20 C36 120.8(12) . . ?
N2 C21 C24 111.8(8) . . ?
O3 C22 C23 118.1(11) . . ?
O3 C22 C32 126.7(11) . . ?
C23 C22 C32 115.3(11) . . ?
C33 C23 C22 117.4(12) . . ?
N1 C24 C21 107.6(9) . . ?
O2 C25 C15 124.2(11) . . ?
O2 C25 C18 119.2(10) . . ?
C15 C25 C18 116.6(10) . . ?
C18 C26 C17 122.5(13) . . ?
C33 C29 C31 116.3(14) . . ?
C31 C32 C40 117.4(11) . . ?
C31 C32 C22 123.2(12) . . ?
C40 C32 C22 118.9(10) . . ?
C15 C30 C17 118.5(12) . . ?
C29 C33 C23 126.3(13) . . ?
C29 C31 C32 121.4(14) . . ?
C11 C34 C37 121.9(11) . . ?
C39 C36 C20 119.8(10) . . ?
C20 C37 C34 118.4(11) . . ?
C39 O1 Dy1 121.9(5) . . ?
C39 O1 Dy1 119.9(5) . 3_575 ?
Dy1 O1 Dy1 110.6(3) . 3_575 ?
O1 C39 C36 120.8(9) . . ?
O1 C39 C11 119.0(9) . . ?
C36 C39 C11 120.1(9) . . ?
Cl1 C41 Cl2 115.2(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Dy1 N3 C19 -177.5(6) . . . . ?
O2 Dy1 N3 C19 -38.4(7) . . . . ?
O1 Dy1 N3 C19 113.1(7) . . . . ?
O1 Dy1 N3 C19 42.5(7) 3_575 . . . ?
N1 Dy1 N3 C19 -79.7(8) . . . . ?
N4 Dy1 N3 C19 -118.8(7) . . . . ?
N2 Dy1 N3 C19 76.9(8) . . . . ?
Dy1 Dy1 N3 C19 76.7(6) 3_575 . . . ?
O3 Dy1 N3 C13 67.3(7) . . . . ?
O2 Dy1 N3 C13 -153.5(7) . . . . ?
O1 Dy1 N3 C13 -2.1(6) . . . . ?
O1 Dy1 N3 C13 -72.7(6) 3_575 . . . ?
N1 Dy1 N3 C13 165.2(6) . . . . ?
N4 Dy1 N3 C13 126.0(7) . . . . ?
N2 Dy1 N3 C13 -38.3(9) . . . . ?
Dy1 Dy1 N3 C13 -38.5(6) 3_575 . . . ?
O3 Dy1 N3 C16 -55.8(6) . . . . ?
O2 Dy1 N3 C16 83.3(6) . . . . ?
O1 Dy1 N3 C16 -125.2(6) . . . . ?
O1 Dy1 N3 C16 164.1(6) 3_575 . . . ?
N1 Dy1 N3 C16 42.0(8) . . . . ?
N4 Dy1 N3 C16 2.8(6) . . . . ?
N2 Dy1 N3 C16 -161.4(6) . . . . ?
Dy1 Dy1 N3 C16 -161.7(6) 3_575 . . . ?
O3 Dy1 O2 C25 -9.3(11) . . . . ?
O1 Dy1 O2 C25 -164.8(8) . . . . ?
O1 Dy1 O2 C25 155.2(9) 3_575 . . . ?
N1 Dy1 O2 C25 35.3(9) . . . . ?
N4 Dy1 O2 C25 -52.5(9) . . . . ?
N2 Dy1 O2 C25 90.3(9) . . . . ?
N3 Dy1 O2 C25 -120.5(9) . . . . ?
Dy1 Dy1 O2 C25 170.8(8) 3_575 . . . ?
C16 C4 N4 C40 119.9(10) . . . . ?
C16 C4 N4 Dy1 -60.0(9) . . . . ?
O3 Dy1 N4 C40 -26.5(8) . . . . ?
O2 Dy1 N4 C40 125.4(9) . . . . ?
O1 Dy1 N4 C40 -95.3(9) . . . . ?
O1 Dy1 N4 C40 177.2(7) 3_575 . . . ?
N1 Dy1 N4 C40 52.4(9) . . . . ?
N2 Dy1 N4 C40 16.4(11) . . . . ?
N3 Dy1 N4 C40 -149.7(9) . . . . ?
Dy1 Dy1 N4 C40 -127.2(8) 3_575 . . . ?
O3 Dy1 N4 C4 153.4(7) . . . . ?
O2 Dy1 N4 C4 -54.7(7) . . . . ?
O1 Dy1 N4 C4 84.5(7) . . . . ?
O1 Dy1 N4 C4 -3.0(9) 3_575 . . . ?
N1 Dy1 N4 C4 -127.8(7) . . . . ?
N2 Dy1 N4 C4 -163.7(6) . . . . ?
N3 Dy1 N4 C4 30.2(6) . . . . ?
Dy1 Dy1 N4 C4 52.6(8) 3_575 . . . ?
O3 Dy1 N2 C13 -155.7(6) . . . 3_575 ?
O2 Dy1 N2 C13 65.3(6) . . . 3_575 ?
O1 Dy1 N2 C13 -75.8(6) . . . 3_575 ?
O1 Dy1 N2 C13 -5.2(6) 3_575 . . 3_575 ?
N1 Dy1 N2 C13 123.5(7) . . . 3_575 ?
N4 Dy1 N2 C13 163.1(6) . . . 3_575 ?
N3 Dy1 N2 C13 -41.6(9) . . . 3_575 ?
Dy1 Dy1 N2 C13 -41.3(6) 3_575 . . 3_575 ?
O3 Dy1 N2 C21 83.2(7) . . . . ?
O2 Dy1 N2 C21 -55.8(7) . . . . ?
O1 Dy1 N2 C21 163.2(7) . . . . ?
O1 Dy1 N2 C21 -126.3(7) 3_575 . . . ?
N1 Dy1 N2 C21 2.5(6) . . . . ?
N4 Dy1 N2 C21 42.0(9) . . . . ?
N3 Dy1 N2 C21 -162.7(6) . . . . ?
Dy1 Dy1 N2 C21 -162.4(7) 3_575 . . . ?
O3 Dy1 N2 C14 -35.8(6) . . . . ?
O2 Dy1 N2 C14 -174.8(5) . . . . ?
O1 Dy1 N2 C14 44.1(6) . . . . ?
O1 Dy1 N2 C14 114.7(6) 3_575 . . . ?
N1 Dy1 N2 C14 -116.6(6) . . . . ?
N4 Dy1 N2 C14 -77.0(7) . . . . ?
N3 Dy1 N2 C14 78.3(7) . . . . ?
Dy1 Dy1 N2 C14 78.5(5) 3_575 . . . ?
O2 Dy1 O3 C22 -11.0(11) . . . . ?
O1 Dy1 O3 C22 153.2(9) . . . . ?
O1 Dy1 O3 C22 -167.3(8) 3_575 . . . ?
N1 Dy1 O3 C22 -54.1(9) . . . . ?
N4 Dy1 O3 C22 33.5(9) . . . . ?
N2 Dy1 O3 C22 -122.1(9) . . . . ?
N3 Dy1 O3 C22 89.0(9) . . . . ?
Dy1 Dy1 O3 C22 168.9(9) 3_575 . . . ?
O3 Dy1 N1 C10 129.2(9) . . . . ?
O2 Dy1 N1 C10 -22.7(9) . . . . ?
O1 Dy1 N1 C10 179.5(8) . . . . ?
O1 Dy1 N1 C10 -92.2(9) 3_575 . . . ?
N4 Dy1 N1 C10 56.1(9) . . . . ?
N2 Dy1 N1 C10 -146.4(10) . . . . ?
N3 Dy1 N1 C10 20.4(11) . . . . ?
Dy1 Dy1 N1 C10 -124.3(8) 3_575 . . . ?
O3 Dy1 N1 C24 -55.1(7) . . . . ?
O2 Dy1 N1 C24 153.0(7) . . . . ?
O1 Dy1 N1 C24 -4.8(9) . . . . ?
O1 Dy1 N1 C24 83.5(7) 3_575 . . . ?
N4 Dy1 N1 C24 -128.2(7) . . . . ?
N2 Dy1 N1 C24 29.4(6) . . . . ?
N3 Dy1 N1 C24 -163.9(6) . . . . ?
Dy1 Dy1 N1 C24 51.4(8) 3_575 . . . ?
C24 N1 C10 C15 -168.3(10) . . . . ?
Dy1 N1 C10 C15 7.2(17) . . . . ?
C4 N4 C40 C32 -166.9(10) . . . . ?
Dy1 N4 C40 C32 12.9(16) . . . . ?
C34 C11 C13 N2 117.8(11) . . . 3_575 ?
C39 C11 C13 N2 -60.4(12) . . . 3_575 ?
C34 C11 C13 N3 -121.3(11) . . . . ?
C39 C11 C13 N3 60.4(12) . . . . ?
C19 N3 C13 N2 -37.4(9) . . . 3_575 ?
C16 N3 C13 N2 -157.7(7) . . . 3_575 ?
Dy1 N3 C13 N2 81.4(8) . . . 3_575 ?
C19 N3 C13 C11 -165.6(9) . . . . ?
C16 N3 C13 C11 74.1(10) . . . . ?
Dy1 N3 C13 C11 -46.8(10) . . . . ?
C13 N2 C14 C19 19.4(11) 3_575 . . 3_575 ?
C21 N2 C14 C19 136.1(9) . . . 3_575 ?
Dy1 N2 C14 C19 -106.2(8) . . . 3_575 ?
N1 C10 C15 C30 -170.7(11) . . . . ?
N1 C10 C15 C25 14.0(17) . . . . ?
N4 C4 C16 N3 62.7(11) . . . . ?
C19 N3 C16 C4 85.0(10) . . . . ?
C13 N3 C16 C4 -161.1(8) . . . . ?
Dy1 N3 C16 C4 -34.2(9) . . . . ?
C13 N3 C19 C14 26.1(11) . . . 3_575 ?
C16 N3 C19 C14 144.8(9) . . . 3_575 ?
Dy1 N3 C19 C14 -97.7(8) . . . 3_575 ?
C13 N2 C21 C24 -160.8(9) 3_575 . . . ?
C14 N2 C21 C24 81.9(11) . . . . ?
Dy1 N2 C21 C24 -33.8(11) . . . . ?
Dy1 O3 C22 C23 154.8(8) . . . . ?
Dy1 O3 C22 C32 -25.0(16) . . . . ?
O3 C22 C23 C33 -177.9(10) . . . . ?
C32 C22 C23 C33 1.9(15) . . . . ?
C10 N1 C24 C21 116.5(10) . . . . ?
Dy1 N1 C24 C21 -59.7(9) . . . . ?
N2 C21 C24 N1 62.3(12) . . . . ?
Dy1 O2 C25 C15 -29.7(15) . . . . ?
Dy1 O2 C25 C18 151.6(8) . . . . ?
C30 C15 C25 O2 179.3(10) . . . . ?
C10 C15 C25 O2 -5.5(16) . . . . ?
C30 C15 C25 C18 -2.0(15) . . . . ?
C10 C15 C25 C18 173.2(9) . . . . ?
C26 C18 C25 O2 -178.7(10) . . . . ?
C26 C18 C25 C15 2.5(15) . . . . ?
C25 C18 C26 C17 0.3(18) . . . . ?
C30 C17 C26 C18 -3.7(19) . . . . ?
N4 C40 C32 C31 -176.1(11) . . . . ?
N4 C40 C32 C22 11.6(17) . . . . ?
O3 C22 C32 C31 179.6(10) . . . . ?
C23 C22 C32 C31 -0.1(16) . . . . ?
O3 C22 C32 C40 -8.6(16) . . . . ?
C23 C22 C32 C40 171.6(10) . . . . ?
C25 C15 C30 C17 -1.2(17) . . . . ?
C10 C15 C30 C17 -176.5(10) . . . . ?
C26 C17 C30 C15 4.1(18) . . . . ?
C31 C29 C33 C23 5(2) . . . . ?
C22 C23 C33 C29 -5(2) . . . . ?
C33 C29 C31 C32 -3(2) . . . . ?
C40 C32 C31 C29 -171.2(12) . . . . ?
C22 C32 C31 C29 0.7(19) . . . . ?
C39 C11 C34 C37 -1.6(17) . . . . ?
C13 C11 C34 C37 -179.9(11) . . . . ?
C37 C20 C36 C39 0.3(18) . . . . ?
C36 C20 C37 C34 -1.1(19) . . . . ?
C11 C34 C37 C20 1.7(19) . . . . ?
O3 Dy1 O1 C39 -57.0(7) . . . . ?
O2 Dy1 O1 C39 106.9(7) . . . . ?
O1 Dy1 O1 C39 149.4(8) 3_575 . . . ?
N1 Dy1 O1 C39 -107.0(7) . . . . ?
N4 Dy1 O1 C39 7.8(7) . . . . ?
N2 Dy1 O1 C39 -138.2(7) . . . . ?
N3 Dy1 O1 C39 60.1(7) . . . . ?
Dy1 Dy1 O1 C39 149.4(8) 3_575 . . . ?
O3 Dy1 O1 Dy1 153.6(3) . . . 3_575 ?
O2 Dy1 O1 Dy1 -42.5(5) . . . 3_575 ?
O1 Dy1 O1 Dy1 0.0 3_575 . . 3_575 ?
N1 Dy1 O1 Dy1 103.6(4) . . . 3_575 ?
N4 Dy1 O1 Dy1 -141.6(3) . . . 3_575 ?
N2 Dy1 O1 Dy1 72.3(3) . . . 3_575 ?
N3 Dy1 O1 Dy1 -89.4(3) . . . 3_575 ?
Dy1 O1 C39 C36 106.8(9) . . . . ?
Dy1 O1 C39 C36 -106.5(9) 3_575 . . . ?
Dy1 O1 C39 C11 -74.2(10) . . . . ?
Dy1 O1 C39 C11 72.5(9) 3_575 . . . ?
C20 C36 C39 O1 178.8(9) . . . . ?
C20 C36 C39 C11 -0.2(15) . . . . ?
C34 C11 C39 O1 -178.2(9) . . . . ?
C13 C11 C39 O1 0.1(13) . . . . ?
C34 C11 C39 C36 0.8(15) . . . . ?
C13 C11 C39 C36 179.1(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.906
_refine_diff_density_min         -1.525
_refine_diff_density_rms         0.207
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xb0216_0m
_database_code_depnum_ccdc_archive 'CCDC 1543466'
_audit_update_record             
;
2017-04-11 deposited with the CCDC.	2019-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H60 Cl6 Dy2 N8 O8'
_chemical_formula_weight         1558.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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)/n

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

_cell_length_a                   12.540(2)
_cell_length_b                   13.764(2)
_cell_length_c                   18.544(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.178(3)
_cell_angle_gamma                90.00
_cell_volume                     3168.1(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1668
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      17.94

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1548
_exptl_absorpt_coefficient_mu    2.652
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.360
_exptl_absorpt_correction_T_max  0.451
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16106
_diffrn_reflns_av_R_equivalents  0.0835
_diffrn_reflns_av_sigmaI/netI    0.1066
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5902
_reflns_number_gt                3565
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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)+(0.0348P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5902
_refine_ls_number_parameters     381
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1056
_refine_ls_wR_factor_gt          0.0889
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_restrained_S_all      0.980
_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
Dy1 Dy 0.35646(3) 0.96959(3) 0.45733(2) 0.03851(13) Uani 1 1 d . . .
Cl1 Cl 0.5521(2) 1.32217(18) 0.20933(14) 0.0797(8) Uani 1 1 d . . .
Cl2 Cl -0.0034(2) 0.5148(2) 0.39648(16) 0.1016(10) Uani 1 1 d . . .
Cl3 Cl -0.16127(19) 1.2222(2) 0.28020(16) 0.0919(9) Uani 1 1 d . . .
O1 O 0.2632(4) 1.1056(3) 0.4296(3) 0.0453(14) Uani 1 1 d . . .
N1 N 0.4838(5) 0.9241(4) 0.3529(3) 0.0371(15) Uani 1 1 d . . .
N4 N 0.3407(5) 1.0394(4) 0.5966(3) 0.0421(15) Uani 1 1 d . . .
O2 O 0.4947(4) 1.0821(3) 0.4629(3) 0.0389(12) Uani 1 1 d . . .
C9 C 0.5743(6) 0.9893(5) 0.3428(4) 0.0378(19) Uani 1 1 d . . .
H9 H 0.5990 0.9739 0.2963 0.045 Uiso 1 1 calc R . .
C10 C 0.1701(7) 1.1312(6) 0.3924(4) 0.046(2) Uani 1 1 d . . .
O3 O 0.3339(4) 0.8102(4) 0.4495(3) 0.0504(15) Uani 1 1 d . . .
C13 C 0.1476(6) 1.0012(6) 0.5492(5) 0.052(2) Uani 1 1 d . . .
H13A H 0.0785 0.9835 0.5631 0.062 Uiso 1 1 calc R . .
H13B H 0.1407 1.0640 0.5253 0.062 Uiso 1 1 calc R . .
N3 N 0.1824(5) 0.9279(5) 0.5004(3) 0.0445(17) Uani 1 1 d . . .
C16 C 0.1179(7) 1.0769(6) 0.3338(5) 0.049(2) Uani 1 1 d . . .
C17 C 0.1681(7) 0.9964(6) 0.3039(5) 0.055(2) Uani 1 1 d . . .
H17 H 0.1357 0.9744 0.2586 0.066 Uiso 1 1 calc R . .
C18 C 0.5376(6) 0.8283(6) 0.3748(5) 0.056(2) Uani 1 1 d . . .
H18A H 0.5347 0.7856 0.3330 0.067 Uiso 1 1 calc R . .
H18B H 0.5021 0.7966 0.4116 0.067 Uiso 1 1 calc R . .
C20 C 0.5456(6) 1.0957(6) 0.3436(4) 0.0402(19) Uani 1 1 d . . .
N2 N 0.2536(5) 0.9508(4) 0.3326(3) 0.0466(17) Uani 1 1 d . . .
C22 C 0.5052(5) 1.1362(5) 0.4037(4) 0.0391(19) Uani 1 1 d . . .
C39 C 0.1536(7) 0.7630(6) 0.4544(5) 0.054(2) Uani 1 1 d . . .
C25 C 0.4905(7) 1.2911(6) 0.3417(5) 0.059(2) Uani 1 1 d . . .
H25 H 0.4718 1.3565 0.3410 0.071 Uiso 1 1 calc R . .
C27 C 0.1257(6) 0.8514(6) 0.4909(5) 0.053(2) Uani 1 1 d . . .
H27 H 0.0601 0.8517 0.5089 0.064 Uiso 1 1 calc R . .
C28 C 0.5574(6) 1.1520(6) 0.2833(4) 0.050(2) Uani 1 1 d . . .
H28 H 0.5825 1.1250 0.2430 0.059 Uiso 1 1 calc R . .
C29 C 0.4778(6) 1.2337(6) 0.4007(5) 0.053(2) Uani 1 1 d . . .
H29 H 0.4499 1.2613 0.4399 0.064 Uiso 1 1 calc R . .
C31 C 0.3025(6) 0.8804(6) 0.2883(5) 0.056(2) Uani 1 1 d . . .
H31A H 0.2596 0.8745 0.2407 0.067 Uiso 1 1 calc R . .
H31B H 0.3067 0.8172 0.3116 0.067 Uiso 1 1 calc R . .
C30 C 0.4138(6) 0.9165(6) 0.2807(4) 0.050(2) Uani 1 1 d . . .
H30A H 0.4469 0.8723 0.2496 0.060 Uiso 1 1 calc R . .
H30B H 0.4083 0.9798 0.2575 0.060 Uiso 1 1 calc R . .
C32 C 0.5309(6) 1.2504(6) 0.2847(5) 0.051(2) Uani 1 1 d . . .
C34 C 0.3458(7) 1.1477(5) 0.5949(4) 0.052(2) Uani 1 1 d . . .
H34A H 0.2966 1.1759 0.6250 0.063 Uiso 1 1 calc R . .
H34B H 0.3278 1.1717 0.5456 0.063 Uiso 1 1 calc R . .
C49 C 0.2341(8) 1.0049(7) 0.6163(6) 0.089(3) Uani 1 1 d . . .
H5A H 0.2110 1.0486 0.6521 0.107 Uiso 1 1 calc R . .
H5B H 0.2430 0.9407 0.6379 0.107 Uiso 1 1 calc R . .
C35 C 0.2568(7) 0.7446(6) 0.4369(4) 0.047(2) Uani 1 1 d . . .
C38 C 0.0969(9) 0.6039(7) 0.4130(5) 0.070(3) Uani 1 1 d . . .
C36 C 0.2756(8) 0.6556(6) 0.4052(5) 0.071(3) Uani 1 1 d . . .
H36 H 0.3434 0.6427 0.3927 0.085 Uiso 1 1 calc R . .
C37 C 0.1974(9) 0.5872(7) 0.3922(5) 0.076(3) Uani 1 1 d . . .
H37 H 0.2110 0.5292 0.3694 0.091 Uiso 1 1 calc R . .
C41 C 0.0146(7) 1.1080(7) 0.2981(5) 0.066(3) Uani 1 1 d . . .
H41 H -0.0201 1.0732 0.2586 0.080 Uiso 1 1 calc R . .
C40 C 0.1204(7) 1.2182(6) 0.4111(5) 0.061(2) Uani 1 1 d . . .
H40 H 0.1557 1.2583 0.4472 0.073 Uiso 1 1 calc R . .
C45 C 0.0738(7) 0.6901(7) 0.4429(5) 0.062(3) Uani 1 1 d . . .
H45 H 0.0058 0.7010 0.4557 0.074 Uiso 1 1 calc R . .
C43 C 0.0205(8) 1.2436(7) 0.3763(5) 0.064(3) Uani 1 1 d . . .
H43 H -0.0119 1.2999 0.3903 0.077 Uiso 1 1 calc R . .
C44 C -0.0322(7) 1.1887(7) 0.3221(5) 0.059(2) Uani 1 1 d . . .
C46 C 0.7926(12) -0.0446(14) 0.1153(11) 0.208(9) Uani 1 1 d . . .
H46A H 0.8147 -0.0561 0.1663 0.312 Uiso 1 1 calc R . .
H46B H 0.7946 -0.1046 0.0891 0.312 Uiso 1 1 calc R . .
H46C H 0.7206 -0.0192 0.1080 0.312 Uiso 1 1 calc R . .
C47 C 0.820(2) 0.0869(12) 0.0373(12) 0.40(2) Uani 1 1 d . . .
H47A H 0.8158 0.1504 0.0580 0.605 Uiso 1 1 calc R . .
H47B H 0.7494 0.0643 0.0187 0.605 Uiso 1 1 calc R . .
H47C H 0.8632 0.0899 -0.0016 0.605 Uiso 1 1 calc R . .
O10 O 0.9530(11) 0.0343(9) 0.1232(7) 0.175(5) Uani 1 1 d . . .
C48 C 0.866(2) 0.0257(13) 0.0886(13) 0.229(15) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.214(5) . ?
Dy1 O1 2.228(5) . ?
Dy1 O2 2.316(5) . ?
Dy1 O2 2.322(5) 3_676 ?
Dy1 N2 2.496(6) . ?
Dy1 N3 2.496(6) . ?
Dy1 N1 2.751(6) . ?
Dy1 N4 2.789(6) . ?
Dy1 Dy1 3.8137(9) 3_676 ?
Cl1 C32 1.763(8) . ?
Cl2 C38 1.752(9) . ?
Cl3 C44 1.755(9) . ?
O1 C10 1.317(8) . ?
N1 C9 1.480(8) . ?
N1 C30 1.496(8) . ?
N1 C18 1.510(9) . ?
N4 C9 1.489(8) 3_676 ?
N4 C34 1.492(8) . ?
N4 C49 1.511(11) . ?
O2 C22 1.349(8) . ?
O2 Dy1 2.322(5) 3_676 ?
C9 N4 1.489(8) 3_676 ?
C9 C20 1.509(9) . ?
C10 C16 1.402(11) . ?
C10 C40 1.415(10) . ?
O3 C35 1.320(8) . ?
C13 N3 1.462(9) . ?
C13 C49 1.530(12) . ?
N3 C27 1.269(9) . ?
C16 C17 1.426(11) . ?
C16 C41 1.433(10) . ?
C17 N2 1.291(9) . ?
C18 C34 1.526(10) 3_676 ?
C20 C28 1.385(10) . ?
C20 C22 1.403(10) . ?
N2 C31 1.460(9) . ?
C22 C29 1.384(9) . ?
C39 C35 1.401(11) . ?
C39 C45 1.411(10) . ?
C39 C27 1.458(11) . ?
C25 C32 1.357(11) . ?
C25 C29 1.377(11) . ?
C28 C32 1.395(10) . ?
C31 C30 1.506(10) . ?
C34 C18 1.526(10) 3_676 ?
C35 C36 1.394(11) . ?
C38 C45 1.359(12) . ?
C38 C37 1.388(13) . ?
C36 C37 1.356(11) . ?
C41 C44 1.361(12) . ?
C40 C43 1.371(10) . ?
C43 C44 1.352(11) . ?
C46 C48 1.47(3) . ?
C47 C48 1.34(2) . ?
O10 C48 1.19(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Dy1 O1 139.42(17) . . ?
O3 Dy1 O2 138.89(17) . . ?
O1 Dy1 O2 79.23(17) . . ?
O3 Dy1 O2 79.71(17) . 3_676 ?
O1 Dy1 O2 138.80(16) . 3_676 ?
O2 Dy1 O2 69.4(2) . 3_676 ?
O3 Dy1 N2 78.02(19) . . ?
O1 Dy1 N2 71.84(19) . . ?
O2 Dy1 N2 113.31(19) . . ?
O2 Dy1 N2 145.16(19) 3_676 . ?
O3 Dy1 N3 71.6(2) . . ?
O1 Dy1 N3 79.22(19) . . ?
O2 Dy1 N3 145.35(19) . . ?
O2 Dy1 N3 112.71(18) 3_676 . ?
N2 Dy1 N3 85.0(2) . . ?
O3 Dy1 N1 79.06(19) . . ?
O1 Dy1 N1 111.50(18) . . ?
O2 Dy1 N1 71.23(17) . . ?
O2 Dy1 N1 83.36(17) 3_676 . ?
N2 Dy1 N1 66.37(19) . . ?
N3 Dy1 N1 142.60(19) . . ?
O3 Dy1 N4 112.11(19) . . ?
O1 Dy1 N4 79.65(18) . . ?
O2 Dy1 N4 83.07(17) . . ?
O2 Dy1 N4 70.88(17) 3_676 . ?
N2 Dy1 N4 142.98(19) . . ?
N3 Dy1 N4 66.56(19) . . ?
N1 Dy1 N4 148.75(17) . . ?
O3 Dy1 Dy1 110.41(12) . 3_676 ?
O1 Dy1 Dy1 110.16(12) . 3_676 ?
O2 Dy1 Dy1 34.74(12) . 3_676 ?
O2 Dy1 Dy1 34.64(12) 3_676 3_676 ?
N2 Dy1 Dy1 137.73(15) . 3_676 ?
N3 Dy1 Dy1 137.28(15) . 3_676 ?
N1 Dy1 Dy1 74.58(12) . 3_676 ?
N4 Dy1 Dy1 74.17(12) . 3_676 ?
C10 O1 Dy1 138.0(5) . . ?
C9 N1 C30 107.0(6) . . ?
C9 N1 C18 104.0(6) . . ?
C30 N1 C18 111.2(6) . . ?
C9 N1 Dy1 118.9(4) . . ?
C30 N1 Dy1 108.7(4) . . ?
C18 N1 Dy1 106.9(4) . . ?
C9 N4 C34 104.6(6) 3_676 . ?
C9 N4 C49 107.3(6) 3_676 . ?
C34 N4 C49 111.2(6) . . ?
C9 N4 Dy1 118.1(4) 3_676 . ?
C34 N4 Dy1 108.4(4) . . ?
C49 N4 Dy1 107.3(5) . . ?
C22 O2 Dy1 119.4(4) . . ?
C22 O2 Dy1 121.7(4) . 3_676 ?
Dy1 O2 Dy1 110.6(2) . 3_676 ?
N1 C9 N4 102.9(6) . 3_676 ?
N1 C9 C20 113.5(6) . . ?
N4 C9 C20 113.3(6) 3_676 . ?
O1 C10 C16 123.0(8) . . ?
O1 C10 C40 119.1(8) . . ?
C16 C10 C40 117.9(8) . . ?
C35 O3 Dy1 140.7(5) . . ?
N3 C13 C49 106.7(7) . . ?
C27 N3 C13 116.6(7) . . ?
C27 N3 Dy1 130.2(6) . . ?
C13 N3 Dy1 113.0(5) . . ?
C10 C16 C17 122.2(8) . . ?
C10 C16 C41 119.4(8) . . ?
C17 C16 C41 118.1(8) . . ?
N2 C17 C16 127.2(8) . . ?
N1 C18 C34 106.1(6) . 3_676 ?
C28 C20 C22 120.7(8) . . ?
C28 C20 C9 118.8(7) . . ?
C22 C20 C9 120.5(7) . . ?
C17 N2 C31 118.7(7) . . ?
C17 N2 Dy1 128.4(6) . . ?
C31 N2 Dy1 112.8(5) . . ?
O2 C22 C29 120.9(7) . . ?
O2 C22 C20 121.0(7) . . ?
C29 C22 C20 118.0(8) . . ?
C35 C39 C45 119.6(8) . . ?
C35 C39 C27 123.3(8) . . ?
C45 C39 C27 116.9(8) . . ?
C32 C25 C29 118.7(8) . . ?
N3 C27 C39 126.1(8) . . ?
C20 C28 C32 118.4(8) . . ?
C25 C29 C22 122.1(9) . . ?
N2 C31 C30 107.6(6) . . ?
N1 C30 C31 111.9(7) . . ?
C25 C32 C28 122.1(8) . . ?
C25 C32 Cl1 120.1(7) . . ?
C28 C32 Cl1 117.8(7) . . ?
N4 C34 C18 104.5(6) . 3_676 ?
N4 C49 C13 111.3(8) . . ?
O3 C35 C36 120.9(8) . . ?
O3 C35 C39 120.8(8) . . ?
C36 C35 C39 118.3(8) . . ?
C45 C38 C37 120.8(9) . . ?
C45 C38 Cl2 119.6(9) . . ?
C37 C38 Cl2 119.5(8) . . ?
C37 C36 C35 121.6(9) . . ?
C36 C37 C38 119.8(9) . . ?
C44 C41 C16 119.7(9) . . ?
C43 C40 C10 120.3(9) . . ?
C38 C45 C39 119.7(9) . . ?
C44 C43 C40 121.7(9) . . ?
C43 C44 C41 120.8(9) . . ?
C43 C44 Cl3 120.3(8) . . ?
C41 C44 Cl3 118.9(8) . . ?
O10 C48 C47 126(2) . . ?
O10 C48 C46 117.0(19) . . ?
C47 C48 C46 115(2) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.380
_refine_diff_density_min         -1.368
_refine_diff_density_rms         0.126
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xb0199_0m
_database_code_depnum_ccdc_archive 'CCDC 1543464'
_audit_update_record             
;
2017-04-11 deposited with the CCDC.	2019-11-25 downloaded from the CCDC.
;
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_creation_date             17-04-07
_chemical_formula_sum            'C62 H64 Cl6 Dy2 N8 O8'
_chemical_formula_weight         1586.910
_refine_ls_R_factor_all          0.067
_cell_length_a                   11.675(2)
_cell_length_b                   12.589(2)
_cell_length_c                   13.298(2)
_cell_angle_alpha                64.222(3)
_cell_angle_beta                 84.541(3)
_cell_angle_gamma                65.307(3)
_cell_volume                     1590.1(4)
_cell_formula_units_Z            1
_symmetry_int_tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  -P_1

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-x, -y, -z'

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Dy ? 1.200
Cl ? 1.200
O ? 1.200
N ? 1.200
C ? 1.200
H ? 1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Dy1 Dy -0.0947(0) 0.9411(0) 0.1207(0) 1.000 2 i ? d Uani 0.03026(15)
Cl1 Cl -0.4132(3) 0.4776(3) 0.3859(3) 1.000 2 i ? d Uani 0.0754(9)
Cl2 Cl 0.4508(3) 0.8340(3) -0.5626(2) 1.000 2 i ? d Uani 0.0752(9)
Cl3 Cl 0.4386(3) 0.3637(3) 0.1023(3) 1.000 2 i ? d Uani 0.0795(9)
O1 O 0.1275(5) 0.9575(5) -0.2295(5) 1.000 2 i ? d Uani 0.0377(14)
O2 O 0.0448(5) 0.8851(5) -0.0018(4) 1.000 2 i ? d Uani 0.0326(13)
O3 O -0.1398(6) 0.7883(5) 0.1153(5) 1.000 2 i ? d Uani 0.0397(14)
N2 N 0.1471(6) 0.8349(6) 0.2172(5) 1.000 2 i ? d Uani 0.0325(15)
N3 N 0.2635(6) 0.9093(6) 0.0715(5) 1.000 2 i ? d Uani 0.0343(16)
C7 C 0.3751(8) 0.9552(8) -0.2340(7) 1.000 2 i ? d Uani 0.037(2)
H7 H 0.4598 0.9414 -0.2388 1.000 2 i ? calc Uiso 0.04400
N4 N 0.3214(6) 0.9873(7) -0.1569(6) 1.000 2 i ? d Uani 0.0355(16)
C11 C 0.2538(8) 0.7881(7) 0.1547(7) 1.000 2 i ? d Uani 0.0326(18)
H11 H 0.3316 0.7332 0.2066 1.000 2 i ? calc Uiso 0.03900
C15 C -0.1956(9) 0.6739(9) 0.2968(7) 1.000 2 i ? d Uani 0.044(2)
C23 C 0.3939(7) 0.8712(8) 0.0387(7) 1.000 2 i ? d Uani 0.0348(19)
H23A H 0.4207 0.7900 0.0333 1.000 2 i ? calc Uiso 0.04200
H23B H 0.4507 0.8570 0.0964 1.000 2 i ? calc Uiso 0.04200
C6 C 0.3184(8) 0.9380(8) -0.3145(7) 1.000 2 i ? d Uani 0.0364(19)
C10 C 0.1677(9) 0.9377(9) 0.2315(8) 1.000 2 i ? d Uani 0.044(2)
H10A H 0.0873 1.0077 0.2280 1.000 2 i ? calc Uiso 0.05200
H10B H 0.2161 0.9014 0.3031 1.000 2 i ? calc Uiso 0.05200
C21 C 0.2360(8) 0.7122(8) 0.1015(7) 1.000 2 i ? d Uani 0.037(2)
C12 C 0.1604(9) 0.7269(9) 0.3281(7) 1.000 2 i ? d Uani 0.046(2)
H12A H 0.2304 0.7105 0.3748 1.000 2 i ? calc Uiso 0.05600
H12B H 0.1802 0.6489 0.3190 1.000 2 i ? calc Uiso 0.05600
C14 C -0.1142(9) 0.6898(9) 0.3580(8) 1.000 2 i ? d Uani 0.046(2)
H14 H -0.1001 0.6402 0.4355 1.000 2 i ? calc Uiso 0.05500
C5 C 0.3945(9) 0.9076(9) -0.3938(7) 1.000 2 i ? d Uani 0.045(2)
H5 H 0.4742 0.9081 -0.3977 1.000 2 i ? calc Uiso 0.05400
C8 C 0.4034(8) 0.9730(9) -0.0720(7) 1.000 2 i ? d Uani 0.040(2)
H8A H 0.3768 1.0550 -0.0680 1.000 2 i ? calc Uiso 0.04800
H8B H 0.4903 0.9464 -0.0903 1.000 2 i ? calc Uiso 0.04800
C26 C 0.1320(8) 0.7657(7) 0.0237(6) 1.000 2 i ? d Uani 0.0301(18)
C24 C 0.2153(10) 0.5695(9) -0.0013(8) 1.000 2 i ? d Uani 0.051(3)
H24 H 0.2075 0.5215 -0.0352 1.000 2 i ? calc Uiso 0.06100
C22 C 0.3297(8) 0.5857(8) 0.1261(8) 1.000 2 i ? d Uani 0.042(2)
H22 H 0.3996 0.5485 0.1778 1.000 2 i ? calc Uiso 0.05100
C1 C 0.1994(8) 0.9339(8) -0.3046(7) 1.000 2 i ? d Uani 0.037(2)
C19 C -0.2606(9) 0.6731(8) 0.1308(8) 1.000 2 i ? d Uani 0.044(2)
H19 H -0.2584 0.6941 0.0546 1.000 2 i ? calc Uiso 0.05300
C13 C 0.0420(9) 0.7559(10) 0.3854(7) 1.000 2 i ? d Uani 0.045(2)
H13A H 0.0545 0.6859 0.4600 1.000 2 i ? calc Uiso 0.05400
H13B H 0.0183 0.8359 0.3921 1.000 2 i ? calc Uiso 0.05400
N1 N -0.0578(7) 0.7686(7) 0.3140(6) 1.000 2 i ? d Uani 0.0415(18)
C17 C -0.3272(9) 0.5658(10) 0.3086(9) 1.000 2 i ? d Uani 0.051(2)
C16 C -0.2627(9) 0.6009(9) 0.3596(8) 1.000 2 i ? d Uani 0.051(2)
H16 H -0.2633 0.5763 0.4364 1.000 2 i ? calc Uiso 0.06100
C18 C -0.3263(9) 0.6014(9) 0.1925(8) 1.000 2 i ? d Uani 0.047(2)
H18 H -0.3697 0.5766 0.1579 1.000 2 i ? calc Uiso 0.05700
C29 C 0.3165(9) 0.5183(9) 0.0731(8) 1.000 2 i ? d Uani 0.046(2)
C2 C 0.1615(10) 0.9001(11) -0.3782(8) 1.000 2 i ? d Uani 0.056(3)
H2 H 0.0831 0.8966 -0.3738 1.000 2 i ? calc Uiso 0.06800
C25 C 0.1229(9) 0.6940(9) -0.0272(8) 1.000 2 i ? d Uani 0.047(2)
H25 H 0.0540 0.7296 -0.0794 1.000 2 i ? calc Uiso 0.05600
C9 C 0.2390(9) 0.9851(8) 0.1374(7) 1.000 2 i ? d Uani 0.043(2)
H9A H 0.3187 0.9740 0.1661 1.000 2 i ? calc Uiso 0.05200
H9B H 0.1903 1.0768 0.0899 1.000 2 i ? calc Uiso 0.05200
C4 C 0.3537(10) 0.8772(10) -0.4654(8) 1.000 2 i ? d Uani 0.049(2)
C20 C -0.1970(8) 0.7159(8) 0.1783(7) 1.000 2 i ? d Uani 0.038(2)
C3 C 0.2374(10) 0.8716(11) -0.4578(8) 1.000 2 i ? d Uani 0.059(3)
H3 H 0.2101 0.8488 -0.5058 1.000 2 i ? calc Uiso 0.07000
C34 C 0.934(2) 0.5999(19) 0.727(2) 1.000 2 i ? d Uani 0.227(17)
H34A H 1.0191 0.5855 0.7059 1.000 2 i ? calc Uiso 0.27300
H34B H 0.9396 0.5165 0.7839 1.000 2 i ? calc Uiso 0.27300
C33 C 0.908(3) 0.676(3) 0.781(2) 1.000 2 i ? d Uani 0.207(12)
H33A H 0.9810 0.6903 0.7905 1.000 2 i ? calc Uiso 0.24900
H33B H 0.8794 0.6393 0.8539 1.000 2 i ? calc Uiso 0.24900
C32 C 0.807(3) 0.795(2) 0.704(3) 1.000 2 i ? d Uani 0.30(2)
H32A H 0.7293 0.8224 0.7376 1.000 2 i ? calc Uiso 0.36200
H32B H 0.8323 0.8660 0.6644 1.000 2 i ? calc Uiso 0.36200
C31 C 0.807(3) 0.729(3) 0.641(3) 1.000 2 i ? d Uani 0.40(3)
H31A H 0.7224 0.7330 0.6442 1.000 2 i ? calc Uiso 0.48200
H31B H 0.8091 0.7886 0.5648 1.000 2 i ? calc Uiso 0.48200
O4 O 0.873(2) 0.621(2) 0.644(2) 1.000 2 i ? d Uani 0.226(9)



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Dy1 O1 . 2_575 2.227(5) no
Dy1 O3 . . 2.226(6) no
Dy1 O2 . . 2.311(5) no
Dy1 O2 . 2_575 2.347(6) no
Dy1 N1 . . 2.466(7) no
Dy1 N4 . 2_575 2.488(7) no
Dy1 N2 . . 2.729(7) no
Dy1 N3 . 2_575 2.763(7) no
Dy1 Dy1 . 2_575 3.8274(9) no
Cl1 C17 . . 1.744(10) no
Cl2 C4 . . 1.751(9) no
Cl3 C29 . . 1.762(9) no
O1 C1 . . 1.297(10) no
O1 Dy1 . 2_575 2.227(5) no
O2 C26 . . 1.325(9) no
O2 Dy1 . 2_575 2.347(5) no
O3 C20 . . 1.311(10) no
N2 C12 . . 1.474(11) no
N2 C11 . . 1.485(10) no
N2 C10 . . 1.501(11) no
N3 C23 . . 1.478(10) no
N3 C9 . . 1.487(10) no
N3 C11 . . 1.489(10) no
N3 Dy1 . 2_575 2.763(7) no
C7 N4 . . 1.278(10) no
C7 C6 . . 1.445(12) no
N4 C8 . . 1.453(10) no
N4 Dy1 . 2_575 2.488(7) no
C11 C21 . . 1.497(11) no
C15 C16 . . 1.402(13) no
C15 C20 . . 1.427(12) no
C15 C14 . . 1.434(13) no
C23 C8 . . 1.506(12) no
C6 C5 . . 1.392(12) no
C6 C1 . . 1.403(12) no
C10 C9 . . 1.478(12) no
C21 C26 . . 1.396(12) no
C21 C22 . . 1.413(11) no
C12 C13 . . 1.499(13) no
C14 N1 . . 1.315(11) no
C5 C4 . . 1.356(13) no
C26 C25 . . 1.381(12) no
C24 C29 . . 1.350(14) no
C24 C25 . . 1.389(12) no
C22 C29 . . 1.376(13) no
C1 C2 . . 1.391(13) no
C19 C18 . . 1.376(13) no
C19 C20 . . 1.399(12) no
C13 N1 . . 1.485(11) no
C17 C16 . . 1.363(14) no
C17 C18 . . 1.409(13) no
C2 C3 . . 1.386(13) no
C4 C3 . . 1.380(14) no
C34 O4 . . 1.232(17) no
C34 C33 . . 1.364(17) no
C33 C32 . . 1.445(18) no
C32 C31 . . 1.414(19) no
C31 O4 . . 1.236(19) no

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Dy1 O3 2_575 . . 137.4(2) no
O1 Dy1 O2 2_575 . . 140.3(2) no
O3 Dy1 O2 . . . 79.7(2) no
O1 Dy1 O2 2_575 . 2_575 80.32(19) no
O3 Dy1 O2 . . 2_575 140.29(19) no
O2 Dy1 O2 . . 2_575 69.5(2) no
O1 Dy1 N1 2_575 . . 75.4(2) no
O3 Dy1 N1 . . . 72.2(2) no
O2 Dy1 N1 . . . 115.8(2) no
O2 Dy1 N1 2_575 . . 144.0(2) no
O1 Dy1 N4 2_575 . 2_575 71.5(2) no
O3 Dy1 N4 . . 2_575 78.4(2) no
O2 Dy1 N4 . . 2_575 143.8(2) no
O2 Dy1 N4 2_575 . 2_575 112.8(2) no
N1 Dy1 N4 . . 2_575 84.1(2) no
O1 Dy1 N2 2_575 . . 80.5(2) no
O3 Dy1 N2 . . . 110.2(2) no
O2 Dy1 N2 . . . 71.25(18) no
O2 Dy1 N2 2_575 . . 83.43(19) no
N1 Dy1 N2 . . . 66.8(2) no
N4 Dy1 N2 2_575 . . 144.0(2) no
O1 Dy1 N3 2_575 . 2_575 112.0(2) no
O3 Dy1 N3 . . 2_575 80.7(2) no
O2 Dy1 N3 . . 2_575 82.36(19) no
O2 Dy1 N3 2_575 . 2_575 71.09(19) no
N1 Dy1 N3 . . 2_575 143.1(2) no
N4 Dy1 N3 2_575 . 2_575 65.9(2) no
N2 Dy1 N3 . . 2_575 148.5(2) no
O1 Dy1 Dy1 2_575 . 2_575 111.20(15) no
O3 Dy1 Dy1 . . 2_575 111.35(14) no
O2 Dy1 Dy1 . . 2_575 35.05(14) no
O2 Dy1 Dy1 2_575 . 2_575 34.43(13) no
N1 Dy1 Dy1 . . 2_575 139.35(17) no
N4 Dy1 Dy1 2_575 . 2_575 136.49(16) no
N2 Dy1 Dy1 . . 2_575 74.68(13) no
N3 Dy1 Dy1 2_575 . 2_575 73.81(14) no
C1 O1 Dy1 . . 2_575 140.9(6) no
C26 O2 Dy1 . . . 123.7(5) no
C26 O2 Dy1 . . 2_575 117.7(5) no
Dy1 O2 Dy1 . . 2_575 110.5(2) no
C20 O3 Dy1 . . . 135.3(5) no
C12 N2 C11 . . . 108.7(6) no
C12 N2 C10 . . . 109.5(7) no
C11 N2 C10 . . . 103.5(6) no
C12 N2 Dy1 . . . 108.2(5) no
C11 N2 Dy1 . . . 118.5(5) no
C10 N2 Dy1 . . . 108.2(5) no
C23 N3 C9 . . . 112.4(7) no
C23 N3 C11 . . . 107.1(6) no
C9 N3 C11 . . . 102.5(6) no
C23 N3 Dy1 . . 2_575 108.7(5) no
C9 N3 Dy1 . . 2_575 108.9(5) no
C11 N3 Dy1 . . 2_575 117.3(5) no
N4 C7 C6 . . . 126.9(8) no
C7 N4 C8 . . . 116.8(7) no
C7 N4 Dy1 . . 2_575 129.8(6) no
C8 N4 Dy1 . . 2_575 113.3(5) no
N2 C11 N3 . . . 103.6(6) no
N2 C11 C21 . . . 114.0(7) no
N3 C11 C21 . . . 113.1(7) no
C16 C15 C20 . . . 120.6(9) no
C16 C15 C14 . . . 117.2(8) no
C20 C15 C14 . . . 121.8(8) no
N3 C23 C8 . . . 112.1(6) no
C5 C6 C1 . . . 120.7(8) no
C5 C6 C7 . . . 116.6(8) no
C1 C6 C7 . . . 122.0(7) no
C9 C10 N2 . . . 105.1(7) no
C26 C21 C22 . . . 119.0(8) no
C26 C21 C11 . . . 121.5(7) no
C22 C21 C11 . . . 119.4(8) no
N2 C12 C13 . . . 111.9(7) no
N1 C14 C15 . . . 125.5(8) no
C4 C5 C6 . . . 120.7(9) no
N4 C8 C23 . . . 107.5(7) no
O2 C26 C25 . . . 121.0(7) no
O2 C26 C21 . . . 119.6(7) no
C25 C26 C21 . . . 119.3(7) no
C29 C24 C25 . . . 119.7(9) no
C29 C22 C21 . . . 119.4(9) no
O1 C1 C2 . . . 120.4(8) no
O1 C1 C6 . . . 122.6(8) no
C2 C1 C6 . . . 117.0(8) no
C18 C19 C20 . . . 122.5(9) no
N1 C13 C12 . . . 106.1(7) no
C14 N1 C13 . . . 118.6(7) no
C14 N1 Dy1 . . . 128.0(6) no
C13 N1 Dy1 . . . 113.4(5) no
C16 C17 C18 . . . 120.4(9) no
C16 C17 Cl1 . . . 120.5(8) no
C18 C17 Cl1 . . . 119.1(8) no
C17 C16 C15 . . . 120.3(9) no
C19 C18 C17 . . . 119.3(9) no
C24 C29 C22 . . . 121.6(8) no
C24 C29 Cl3 . . . 120.6(7) no
C22 C29 Cl3 . . . 117.8(7) no
C3 C2 C1 . . . 121.8(10) no
C26 C25 C24 . . . 120.9(9) no
C10 C9 N3 . . . 108.3(7) no
C5 C4 C3 . . . 120.1(9) no
C5 C4 Cl2 . . . 121.0(8) no
C3 C4 Cl2 . . . 118.8(8) no
O3 C20 C19 . . . 120.3(8) no
O3 C20 C15 . . . 122.9(8) no
C19 C20 C15 . . . 116.8(8) no
C2 C3 C4 . . . 119.6(9) no
O4 C34 C33 . . . 128.(2) no
C34 C33 C32 . . . 101.(2) no
C31 C32 C33 . . . 88.(2) no
O4 C31 C32 . . . 136.(4) no
C34 O4 C31 . . . 86.(3) no
