# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1449906'
_audit_update_record             
;
2016-05-14 deposited with the CCDC.
2016-05-17 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C118 H150 Dy8 N26 O48'
_chemical_formula_weight         4000.63

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8119(7)
_cell_length_b                   15.4709(7)
_cell_length_c                   18.0346(8)
_cell_angle_alpha                70.9050(10)
_cell_angle_beta                 68.9860(10)
_cell_angle_gamma                82.5800(10)
_cell_volume                     3645.2(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    186(2)
_cell_measurement_reflns_used    6026
_cell_measurement_theta_min      2.15
_cell_measurement_theta_max      24.99

_exptl_crystal_description       needle
_exptl_crystal_colour            dark-red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_F_000             1952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    4.135
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.413
_exptl_absorpt_correction_T_max  0.495
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      186(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18421
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.574
_diffrn_reflns_theta_max         25.042
_diffrn_reflns_theta_full        25.042
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             12646
_reflns_number_gt                10184
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0689P)²+2.6492P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12646
_refine_ls_number_parameters     932
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1263
_refine_ls_wR_factor_gt          0.1097
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.80095(3) 1.01116(3) 0.35000(2) 0.02032(11) Uani 1 1 d . . . . .
Dy2 Dy 0.91917(3) 0.77559(3) 0.33504(2) 0.02021(11) Uani 1 1 d . . . . .
Dy3 Dy 0.75829(3) 0.87294(3) 0.21543(2) 0.02000(11) Uani 1 1 d . . . . .
Dy4 Dy 1.00628(3) 0.87596(3) 0.05197(2) 0.02019(11) Uani 1 1 d . . . . .
O1 O 0.7743(4) 0.8653(4) 0.3440(3) 0.0216(12) Uani 1 1 d . . . . .
H1 H 0.7194 0.8344 0.3917 0.026 Uiso 1 1 calc R U . . .
O2 O 0.9287(4) 0.8763(3) 0.1907(3) 0.0198(11) Uani 1 1 d . . . . .
H2 H 0.9395 0.9378 0.1901 0.024 Uiso 1 1 calc R U . . .
O3 O 0.6444(4) 1.0564(4) 0.3652(4) 0.0365(15) Uani 1 1 d . . . . .
O4 O 0.9541(4) 0.9421(4) 0.3134(3) 0.0232(12) Uani 1 1 d . . . . .
O5 O 1.0803(4) 0.8041(4) 0.2672(3) 0.0277(13) Uani 1 1 d . . . . .
O6 O 0.9029(4) 0.7944(4) 0.4626(3) 0.0307(14) Uani 1 1 d . . . . .
O7 O 0.8352(4) 0.7260(4) 0.2645(3) 0.0238(12) Uani 1 1 d . . . . .
O8 O 0.8501(4) 0.8187(4) 0.0999(3) 0.0234(12) Uani 1 1 d . . . . .
O9 O 0.6418(4) 0.7604(4) 0.2691(3) 0.0286(13) Uani 1 1 d . . . . .
O10 O 0.8041(4) 1.0206(3) 0.2177(3) 0.0194(11) Uani 1 1 d . . . . .
O11 O 0.9627(4) 1.2314(4) 0.0116(3) 0.0290(13) Uani 1 1 d . . . . .
O12 O 1.0450(4) 1.0161(4) 0.0458(3) 0.0212(12) Uani 1 1 d . . . . .
O13 O 0.7654(4) 0.9087(4) 0.4899(3) 0.0269(13) Uani 1 1 d . . . . .
H13 H 0.7737 0.8477 0.4914 0.032 Uiso 1 1 calc R U . . .
O14 O 0.7914(5) 0.6767(5) 0.4384(4) 0.0341(14) Uani 1 1 d D . . . .
O15 O 0.6154(4) 0.9577(4) 0.2777(4) 0.0345(15) Uani 1 1 d . . . . .
H6 H 0.6279 0.9983 0.3010 0.041 Uiso 1 1 calc R U . . .
O16 O 1.1193(4) 0.7944(4) 0.1165(3) 0.0286(13) Uani 1 1 d . . . . .
H9 H 1.1186 0.8097 0.1625 0.034 Uiso 1 1 calc R U . . .
O17 O 0.7122(6) 0.6415(6) 0.6086(5) 0.063(2) Uani 1 1 d . . . . .
H17 H 0.7452 0.6295 0.6389 0.094 Uiso 1 1 calc R U . . .
O18 O 0.7397(7) 0.4615(8) 0.3310(6) 0.090(3) Uani 1 1 d . . . . .
H18 H 0.7920 0.4575 0.2954 0.136 Uiso 1 1 calc R U . . .
O19 O 0.7095(7) 0.7040(6) 0.7364(6) 0.073(2) Uani 1 1 d . . . . .
H19 H 0.7300 0.6544 0.7592 0.110 Uiso 1 1 calc R U . . .
O20 O 0.1882(7) 0.1689(5) 0.2562(4) 0.062(2) Uani 1 1 d . . . . .
H20 H 0.1787 0.1142 0.2809 0.092 Uiso 1 1 calc R U . . .
O21 O 0.0655(6) 0.4903(5) 0.1591(4) 0.056(2) Uani 1 1 d . . . . .
H21 H 0.0085 0.4842 0.1889 0.085 Uiso 1 1 calc R U . . .
O22 O 0.2442(13) 0.4660(9) 0.1732(13) 0.195(8) Uani 1 1 d . . . . .
O23 O 0.6572(6) 0.6109(5) 0.3993(5) 0.0493(18) Uani 1 1 d D . . . .
O24 O 0.613(2) 0.4639(17) 0.0474(19) 0.317(13) Uani 1 1 d . U . . .
N1 N 0.7426(5) 1.1112(5) 0.4366(4) 0.0271(16) Uani 1 1 d . . . . .
N2 N 0.9204(5) 1.0508(4) 0.3996(4) 0.0213(14) Uani 1 1 d . . . . .
N3 N 1.0133(5) 1.0179(5) 0.3787(4) 0.0244(15) Uani 1 1 d . . . . .
N4 N 1.1942(5) 0.9797(6) 0.2952(5) 0.0387(19) Uani 1 1 d . . . . .
N5 N 1.0101(5) 0.6618(5) 0.4170(4) 0.0258(15) Uani 1 1 d . . . . .
N6 N 0.9791(5) 0.6319(5) 0.2953(4) 0.0248(15) Uani 1 1 d . . . . .
N7 N 0.9507(5) 0.6118(5) 0.2368(4) 0.0285(16) Uani 1 1 d . . . . .
N8 N 0.8184(6) 0.5717(5) 0.1677(5) 0.0367(19) Uani 1 1 d . . . . .
N9 N 0.6557(5) 0.8875(5) 0.1272(4) 0.0282(16) Uani 1 1 d . . . . .
N10 N 0.7794(5) 1.0148(4) 0.0909(4) 0.0200(14) Uani 1 1 d . . . . .
N11 N 0.8357(5) 1.0873(4) 0.0771(4) 0.0232(15) Uani 1 1 d . . . . .
N12 N 0.8603(5) 1.1613(5) 0.2378(4) 0.0273(16) Uani 1 1 d . . . . .
N13 N 0.5683(13) 0.1754(15) 0.0886(12) 0.147(8) Uani 1 1 d . . . . .
C1 C 0.6496(6) 1.1415(6) 0.4507(5) 0.031(2) Uani 1 1 d . . . . .
C2 C 0.5965(6) 1.1094(6) 0.4115(5) 0.031(2) Uani 1 1 d . . . . .
C3 C 0.5020(7) 1.1387(7) 0.4235(6) 0.045(3) Uani 1 1 d . . . . .
H3 H 0.4657 1.1208 0.3985 0.054 Uiso 1 1 calc R U . . .
C4 C 0.4605(8) 1.1969(7) 0.4746(7) 0.048(3) Uani 1 1 d . . . . .
H4 H 0.3975 1.2186 0.4805 0.058 Uiso 1 1 calc R U . . .
C5 C 0.5087(8) 1.2216(8) 0.5146(7) 0.054(3) Uani 1 1 d . . . . .
H5 H 0.4774 1.2569 0.5498 0.065 Uiso 1 1 calc R U . . .
C6 C 0.6043(7) 1.1955(6) 0.5045(5) 0.033(2) Uani 1 1 d . . . . .
C7 C 0.6643(7) 1.2190(8) 0.5418(6) 0.047(3) Uani 1 1 d . . . . .
H7 H 0.6401 1.2567 0.5756 0.056 Uiso 1 1 calc R U . . .
C8 C 0.7575(7) 1.1861(7) 0.5278(5) 0.040(2) Uani 1 1 d . . . . .
H8 H 0.7945 1.1981 0.5554 0.048 Uiso 1 1 calc R U . . .
C9 C 0.7965(7) 1.1357(6) 0.4738(5) 0.0291(19) Uani 1 1 d . . . . .
C10 C 0.8935(6) 1.0939(6) 0.4547(5) 0.031(2) Uani 1 1 d . . . . .
H10 H 0.9348 1.0983 0.4818 0.037 Uiso 1 1 calc R U . . .
C11 C 1.0245(6) 0.9633(5) 0.3329(5) 0.0221(17) Uani 1 1 d . . . . .
C12 C 1.1244(6) 0.9285(6) 0.2992(5) 0.0244(18) Uani 1 1 d . . . . .
C13 C 1.1457(6) 0.8501(5) 0.2707(5) 0.0218(17) Uani 1 1 d . . . . .
C14 C 1.2438(6) 0.8274(6) 0.2430(6) 0.033(2) Uani 1 1 d . . . . .
H14 H 1.2617 0.7751 0.2262 0.040 Uiso 1 1 calc R U . . .
C15 C 1.3160(7) 0.8792(8) 0.2394(6) 0.044(3) Uani 1 1 d . . . . .
H15 H 1.3811 0.8640 0.2191 0.052 Uiso 1 1 calc R U . . .
C16 C 1.2865(7) 0.9532(7) 0.2672(6) 0.046(3) Uani 1 1 d . . . . .
H16 H 1.3337 0.9878 0.2667 0.056 Uiso 1 1 calc R U . . .
C17 C 1.0131(6) 0.6714(5) 0.4867(5) 0.0239(18) Uani 1 1 d . . . . .
C18 C 0.9492(6) 0.7447(5) 0.5126(5) 0.0234(18) Uani 1 1 d . . . . .
C19 C 0.9411(7) 0.7523(7) 0.5886(5) 0.036(2) Uani 1 1 d . . . . .
H19A H 0.8989 0.7958 0.6090 0.043 Uiso 1 1 calc R U . . .
C20 C 0.9952(8) 0.6957(6) 0.6359(6) 0.039(2) Uani 1 1 d . . . . .
H20A H 0.9874 0.7024 0.6872 0.046 Uiso 1 1 calc R U . . .
C21 C 1.0605(8) 0.6296(7) 0.6093(6) 0.042(2) Uani 1 1 d . . . . .
H21A H 1.0965 0.5939 0.6416 0.050 Uiso 1 1 calc R U . . .
C22 C 1.0705(7) 0.6183(6) 0.5338(6) 0.032(2) Uani 1 1 d . . . . .
C23 C 1.1264(8) 0.5504(7) 0.5012(6) 0.044(3) Uani 1 1 d . . . . .
H23 H 1.1662 0.5129 0.5287 0.053 Uiso 1 1 calc R U . . .
C24 C 1.1246(7) 0.5375(7) 0.4310(6) 0.040(2) Uani 1 1 d . . . . .
H24 H 1.1634 0.4927 0.4100 0.048 Uiso 1 1 calc R U . . .
C25 C 1.0628(6) 0.5933(6) 0.3905(5) 0.0282(19) Uani 1 1 d . . . . .
C26 C 1.0424(6) 0.5779(6) 0.3218(5) 0.031(2) Uani 1 1 d . . . . .
H26 H 1.0735 0.5318 0.2987 0.037 Uiso 1 1 calc R U . . .
C27 C 0.8763(6) 0.6647(5) 0.2262(5) 0.0237(18) Uani 1 1 d . . . . .
C28 C 0.8388(6) 0.6563(6) 0.1622(5) 0.0271(19) Uani 1 1 d . . . . .
C29 C 0.8273(6) 0.7358(6) 0.1010(5) 0.0242(18) Uani 1 1 d . . . . .
C30 C 0.7915(6) 0.7256(6) 0.0430(5) 0.031(2) Uani 1 1 d . . . . .
H30 H 0.7826 0.7765 0.0009 0.037 Uiso 1 1 calc R U . . .
C31 C 0.7696(7) 0.6414(7) 0.0481(6) 0.040(2) Uani 1 1 d . . . . .
H31 H 0.7430 0.6350 0.0106 0.048 Uiso 1 1 calc R U . . .
C32 C 0.7861(8) 0.5631(7) 0.1088(6) 0.045(3) Uani 1 1 d . . . . .
H32 H 0.7750 0.5054 0.1087 0.054 Uiso 1 1 calc R U . . .
C33 C 0.5983(6) 0.8179(5) 0.1477(5) 0.0261(18) Uani 1 1 d . . . . .
C34 C 0.5885(6) 0.7494(7) 0.2273(6) 0.038(2) Uani 1 1 d . . . . .
C35 C 0.5272(7) 0.6774(7) 0.2521(7) 0.044(2) Uani 1 1 d . . . . .
H35 H 0.5190 0.6320 0.3027 0.053 Uiso 1 1 calc R U . . .
C36 C 0.4774(8) 0.6736(7) 0.2001(7) 0.052(3) Uani 1 1 d . . . . .
H36 H 0.4351 0.6255 0.2189 0.063 Uiso 1 1 calc R U . . .
C37 C 0.4866(7) 0.7357(7) 0.1240(7) 0.046(3) Uani 1 1 d . . . . .
H37 H 0.4531 0.7286 0.0916 0.055 Uiso 1 1 calc R U . . .
C38 C 0.5483(7) 0.8112(7) 0.0954(6) 0.037(2) Uani 1 1 d . . . . .
C39 C 0.5633(7) 0.8804(7) 0.0198(6) 0.035(2) Uani 1 1 d . . . . .
H39 H 0.5328 0.8784 -0.0166 0.042 Uiso 1 1 calc R U . . .
C40 C 0.6238(7) 0.9521(7) -0.0012(6) 0.040(2) Uani 1 1 d . . . . .
H40 H 0.6341 0.9985 -0.0515 0.048 Uiso 1 1 calc R U . . .
C41 C 0.6698(6) 0.9540(5) 0.0545(5) 0.0247(18) Uani 1 1 d . . . . .
C42 C 0.7341(6) 1.0267(6) 0.0388(5) 0.0252(18) Uani 1 1 d . . . . .
H42 H 0.7421 1.0793 -0.0066 0.030 Uiso 1 1 calc R U . . .
C43 C 0.8400(5) 1.0858(5) 0.1493(5) 0.0209(17) Uani 1 1 d . . . . .
C44 C 0.8825(6) 1.1633(5) 0.1562(5) 0.0220(17) Uani 1 1 d . . . . .
C45 C 0.9346(6) 1.2356(6) 0.0872(5) 0.0276(19) Uani 1 1 d . . . . .
C46 C 0.9551(7) 1.3082(5) 0.1053(5) 0.031(2) Uani 1 1 d . . . . .
H46 H 0.9876 1.3578 0.0619 0.037 Uiso 1 1 calc R U . . .
C47 C 0.9287(8) 1.3098(8) 0.1865(6) 0.048(3) Uani 1 1 d . . . . .
H47 H 0.9423 1.3603 0.1976 0.058 Uiso 1 1 calc R U . . .
C48 C 0.8820(7) 1.2355(6) 0.2508(6) 0.037(2) Uani 1 1 d . . . . .
H48 H 0.8647 1.2369 0.3053 0.044 Uiso 1 1 calc R U . . .
C49 C 0.7345(7) 0.9193(7) 0.5718(5) 0.041(2) Uani 1 1 d . . . . .
H49A H 0.7883 0.9375 0.5808 0.061 Uiso 1 1 calc R U . . .
H49B H 0.7101 0.8622 0.6129 0.061 Uiso 1 1 calc R U . . .
H49C H 0.6843 0.9652 0.5763 0.061 Uiso 1 1 calc R U . . .
C50 C 0.5167(6) 0.9562(8) 0.2848(6) 0.046(3) Uani 1 1 d . . . . .
H50A H 0.5085 0.9920 0.2330 0.069 Uiso 1 1 calc R U . . .
H50B H 0.4768 0.9814 0.3283 0.069 Uiso 1 1 calc R U . . .
H50C H 0.4982 0.8943 0.2980 0.069 Uiso 1 1 calc R U . . .
C51 C 1.0916(7) 1.0346(6) 0.0943(5) 0.031(2) Uani 1 1 d . . . . .
H51A H 1.0457 1.0316 0.1485 0.047 Uiso 1 1 calc R U . . .
H51B H 1.1187 1.0947 0.0677 0.047 Uiso 1 1 calc R U . . .
H51C H 1.1423 0.9903 0.0999 0.047 Uiso 1 1 calc R U . . .
C52 C 1.1879(8) 0.7259(8) 0.0950(7) 0.054(3) Uani 1 1 d . . . . .
H52A H 1.1869 0.7179 0.0447 0.081 Uiso 1 1 calc R U . . .
H52B H 1.1720 0.6693 0.1393 0.081 Uiso 1 1 calc R U . . .
H52C H 1.2513 0.7441 0.0865 0.081 Uiso 1 1 calc R U . . .
C53 C 0.6290(12) 0.5895(13) 0.6488(10) 0.116(6) Uani 1 1 d . . . . .
H53A H 0.6211 0.5631 0.7069 0.175 Uiso 1 1 calc R U . . .
H53B H 0.6343 0.5416 0.6245 0.175 Uiso 1 1 calc R U . . .
H53C H 0.5740 0.6278 0.6430 0.175 Uiso 1 1 calc R U . . .
C54 C 0.6670(14) 0.4108(14) 0.3247(13) 0.146(8) Uani 1 1 d . U . . .
H54A H 0.6465 0.4462 0.2787 0.219 Uiso 1 1 calc R U . . .
H54B H 0.6123 0.3992 0.3754 0.219 Uiso 1 1 calc R U . . .
H54C H 0.6945 0.3537 0.3161 0.219 Uiso 1 1 calc R U . . .
C55 C 0.6115(17) 0.7208(18) 0.7903(16) 0.181(10) Uani 1 1 d . U . . .
H55A H 0.5987 0.6775 0.8449 0.272 Uiso 1 1 calc R U . . .
H55B H 0.5649 0.7139 0.7670 0.272 Uiso 1 1 calc R U . . .
H55C H 0.6073 0.7817 0.7941 0.272 Uiso 1 1 calc R U . . .
C56 C 0.1696(14) 0.1915(11) 0.1803(10) 0.108(6) Uani 1 1 d . . . . .
H56A H 0.1063 0.2188 0.1871 0.162 Uiso 1 1 calc R U . . .
H56B H 0.1728 0.1370 0.1649 0.162 Uiso 1 1 calc R U . . .
H56C H 0.2170 0.2340 0.1373 0.162 Uiso 1 1 calc R U . . .
C57 C 0.0717(10) 0.5256(7) 0.0747(7) 0.064(4) Uani 1 1 d . . . . .
H57A H 0.0149 0.5092 0.0686 0.097 Uiso 1 1 calc R U . . .
H57B H 0.1280 0.5004 0.0411 0.097 Uiso 1 1 calc R U . . .
H57C H 0.0763 0.5910 0.0570 0.097 Uiso 1 1 calc R U . . .
C58 C 0.6012(14) 0.1967(13) 0.1284(14) 0.115(7) Uani 1 1 d . . . . .
C59 C 0.6386(13) 0.2371(15) 0.1816(12) 0.133(7) Uani 1 1 d . U . . .
H59A H 0.6875 0.2815 0.1450 0.200 Uiso 1 1 calc R U . . .
H59B H 0.6653 0.1886 0.2172 0.200 Uiso 1 1 calc R U . . .
H59C H 0.5857 0.2658 0.2150 0.200 Uiso 1 1 calc R U . . .
H14A H 0.767(5) 0.676(5) 0.489(2) 0.02(2) Uiso 1 1 d D . . . .
H23A H 0.675(6) 0.559(3) 0.390(5) 0.02(2) Uiso 1 1 d D . . . .
H14B H 0.753(7) 0.645(8) 0.432(6) 0.11(6) Uiso 1 1 d D . . . .
H23B H 0.598(5) 0.599(7) 0.433(11) 0.20(10) Uiso 1 1 d 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 2.278(6) . ?
Dy1 O10 2.325(5) . ?
Dy1 O4 2.342(5) . ?
Dy1 O1 2.383(5) . ?
Dy1 O13 2.409(5) . ?
Dy1 N1 2.420(7) . ?
Dy1 N2 2.467(6) . ?
Dy1 N12 2.538(7) . ?
Dy1 Dy2 3.8831(5) . ?
Dy1 Dy3 3.9631(5) . ?
Dy2 O5 2.282(6) . ?
Dy2 O6 2.335(5) . ?
Dy2 O1 2.385(5) . ?
Dy2 O14 2.398(6) . ?
Dy2 O7 2.402(5) . ?
Dy2 N5 2.493(7) . ?
Dy2 N6 2.514(6) . ?
Dy2 O2 2.522(5) . ?
Dy2 O4 2.569(5) . ?
Dy2 Dy3 3.6378(5) . ?
Dy3 O9 2.328(6) . ?
Dy3 O1 2.378(5) . ?
Dy3 O8 2.390(5) . ?
Dy3 O2 2.406(5) . ?
Dy3 O7 2.447(5) . ?
Dy3 O15 2.450(6) . ?
Dy3 O10 2.483(5) . ?
Dy3 N9 2.511(6) . ?
Dy3 N10 2.531(6) . ?
Dy3 Dy4 3.7913(5) . ?
Dy4 O11 2.226(5) 2_775 ?
Dy4 O12 2.271(5) . ?
Dy4 O12 2.276(5) 2_775 ?
Dy4 O8 2.341(5) . ?
Dy4 O2 2.351(5) . ?
Dy4 O16 2.375(5) . ?
Dy4 N11 2.606(7) 2_775 ?
Dy4 Dy4 3.6929(8) 2_775 ?
O3 C2 1.321(9) . ?
O4 C11 1.320(9) . ?
O5 C13 1.304(9) . ?
O6 C18 1.316(9) . ?
O7 C27 1.313(9) . ?
O8 C29 1.360(9) . ?
O9 C34 1.330(10) . ?
O10 C43 1.294(9) . ?
O11 C45 1.295(9) . ?
O11 Dy4 2.226(5) 2_775 ?
O12 C51 1.405(9) . ?
O12 Dy4 2.276(5) 2_775 ?
O13 C49 1.438(10) . ?
O15 C50 1.423(10) . ?
O16 C52 1.420(11) . ?
O17 C53 1.388(17) . ?
O18 C54 1.466(19) . ?
O19 C55 1.47(2) . ?
O20 C56 1.416(14) . ?
O21 C57 1.411(12) . ?
N1 C1 1.357(10) . ?
N1 C9 1.363(10) . ?
N2 C10 1.293(10) . ?
N2 N3 1.366(9) . ?
N3 C11 1.321(9) . ?
N4 C16 1.337(12) . ?
N4 C12 1.350(11) . ?
N5 C17 1.329(10) . ?
N5 C25 1.345(10) . ?
N6 C26 1.290(10) . ?
N6 N7 1.398(9) . ?
N7 C27 1.318(10) . ?
N8 C28 1.344(11) . ?
N8 C32 1.360(11) . ?
N9 C33 1.331(11) . ?
N9 C41 1.341(11) . ?
N10 C42 1.295(10) . ?
N10 N11 1.389(9) . ?
N11 C43 1.317(9) . ?
N11 Dy4 2.606(7) 2_775 ?
N12 C48 1.342(10) . ?
N12 C44 1.379(10) . ?
N13 C58 1.14(2) . ?
C1 C6 1.417(11) . ?
C1 C2 1.447(12) . ?
C2 C3 1.375(12) . ?
C3 C4 1.426(13) . ?
C4 C5 1.340(14) . ?
C5 C6 1.385(13) . ?
C6 C7 1.431(13) . ?
C7 C8 1.371(13) . ?
C8 C9 1.367(11) . ?
C9 C10 1.466(12) . ?
C11 C12 1.488(11) . ?
C12 C13 1.425(11) . ?
C13 C14 1.395(11) . ?
C14 C15 1.389(13) . ?
C15 C16 1.356(13) . ?
C17 C22 1.414(11) . ?
C17 C18 1.466(11) . ?
C18 C19 1.376(11) . ?
C19 C20 1.399(12) . ?
C20 C21 1.394(13) . ?
C21 C22 1.382(12) . ?
C22 C23 1.402(13) . ?
C23 C24 1.354(13) . ?
C24 C25 1.407(12) . ?
C25 C26 1.471(11) . ?
C27 C28 1.494(10) . ?
C28 C29 1.398(12) . ?
C29 C30 1.389(11) . ?
C30 C31 1.350(12) . ?
C31 C32 1.405(13) . ?
C33 C38 1.426(11) . ?
C33 C34 1.449(12) . ?
C34 C35 1.381(13) . ?
C35 C36 1.404(14) . ?
C36 C37 1.365(15) . ?
C37 C38 1.416(14) . ?
C38 C39 1.394(13) . ?
C39 C40 1.384(13) . ?
C40 C41 1.409(11) . ?
C41 C42 1.459(11) . ?
C43 C44 1.484(11) . ?
C44 C45 1.420(11) . ?
C45 C46 1.364(11) . ?
C46 C47 1.382(12) . ?
C47 C48 1.380(14) . ?
C58 C59 1.58(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
O3 Dy1 O10 81.82(19) . . ?
O3 Dy1 O4 164.40(19) . . ?
O10 Dy1 O4 85.69(18) . . ?
O3 Dy1 O1 92.4(2) . . ?
O10 Dy1 O1 69.07(17) . . ?
O4 Dy1 O1 74.31(18) . . ?
O3 Dy1 O13 95.0(2) . . ?
O10 Dy1 O13 142.53(18) . . ?
O4 Dy1 O13 89.18(18) . . ?
O1 Dy1 O13 73.80(17) . . ?
O3 Dy1 N1 67.7(2) . . ?
O10 Dy1 N1 134.10(19) . . ?
O4 Dy1 N1 127.9(2) . . ?
O1 Dy1 N1 142.0(2) . . ?
O13 Dy1 N1 76.0(2) . . ?
O3 Dy1 N2 132.0(2) . . ?
O10 Dy1 N2 132.3(2) . . ?
O4 Dy1 N2 63.59(19) . . ?
O1 Dy1 N2 127.82(19) . . ?
O13 Dy1 N2 76.1(2) . . ?
N1 Dy1 N2 64.3(2) . . ?
O3 Dy1 N12 90.7(2) . . ?
O10 Dy1 N12 64.47(19) . . ?
O4 Dy1 N12 92.3(2) . . ?
O1 Dy1 N12 132.43(19) . . ?
O13 Dy1 N12 152.94(19) . . ?
N1 Dy1 N12 81.8(2) . . ?
N2 Dy1 N12 80.4(2) . . ?
O3 Dy1 Dy2 127.84(16) . . ?
O10 Dy1 Dy2 80.24(12) . . ?
O4 Dy1 Dy2 39.86(13) . . ?
O1 Dy1 Dy2 35.48(12) . . ?
O13 Dy1 Dy2 72.39(12) . . ?
N1 Dy1 Dy2 145.64(15) . . ?
N2 Dy1 Dy2 94.81(14) . . ?
N12 Dy1 Dy2 123.34(15) . . ?
O3 Dy1 Dy3 83.05(14) . . ?
O10 Dy1 Dy3 35.81(13) . . ?
O4 Dy1 Dy3 81.35(12) . . ?
O1 Dy1 Dy3 33.61(12) . . ?
O13 Dy1 Dy3 106.73(13) . . ?
N1 Dy1 Dy3 150.76(16) . . ?
N2 Dy1 Dy3 144.89(15) . . ?
N12 Dy1 Dy3 100.20(15) . . ?
Dy2 Dy1 Dy3 55.234(9) . . ?
O5 Dy2 O6 99.7(2) . . ?
O5 Dy2 O1 135.07(19) . . ?
O6 Dy2 O1 85.41(18) . . ?
O5 Dy2 O14 150.1(2) . . ?
O6 Dy2 O14 73.6(2) . . ?
O1 Dy2 O14 74.3(2) . . ?
O5 Dy2 O7 116.85(18) . . ?
O6 Dy2 O7 143.1(2) . . ?
O1 Dy2 O7 72.99(17) . . ?
O14 Dy2 O7 71.9(2) . . ?
O5 Dy2 N5 72.0(2) . . ?
O6 Dy2 N5 64.9(2) . . ?
O1 Dy2 N5 144.6(2) . . ?
O14 Dy2 N5 78.9(2) . . ?
O7 Dy2 N5 119.71(19) . . ?
O5 Dy2 N6 78.3(2) . . ?
O6 Dy2 N6 124.8(2) . . ?
O1 Dy2 N6 134.10(19) . . ?
O14 Dy2 N6 82.0(2) . . ?
O7 Dy2 N6 62.37(19) . . ?
N5 Dy2 N6 62.2(2) . . ?
O5 Dy2 O2 75.84(18) . . ?
O6 Dy2 O2 137.52(18) . . ?
O1 Dy2 O2 71.15(17) . . ?
O14 Dy2 O2 128.92(19) . . ?
O7 Dy2 O2 62.73(17) . . ?
N5 Dy2 O2 144.08(19) . . ?
N6 Dy2 O2 96.07(18) . . ?
O5 Dy2 O4 69.82(19) . . ?
O6 Dy2 O4 70.24(19) . . ?
O1 Dy2 O4 70.25(17) . . ?
O14 Dy2 O4 130.5(2) . . ?
O7 Dy2 O4 125.98(17) . . ?
N5 Dy2 O4 113.25(19) . . ?
N6 Dy2 O4 147.0(2) . . ?
O2 Dy2 O4 68.67(16) . . ?
O5 Dy2 Dy3 117.01(13) . . ?
O6 Dy2 Dy3 125.51(14) . . ?
O1 Dy2 Dy3 40.13(12) . . ?
O14 Dy2 Dy3 88.98(15) . . ?
O7 Dy2 Dy3 41.86(12) . . ?
N5 Dy2 Dy3 161.15(15) . . ?
N6 Dy2 Dy3 102.11(14) . . ?
O2 Dy2 Dy3 41.20(12) . . ?
O4 Dy2 Dy3 85.60(11) . . ?
O5 Dy2 Dy1 105.03(14) . . ?
O6 Dy2 Dy1 69.18(14) . . ?
O1 Dy2 Dy1 35.45(13) . . ?
O14 Dy2 Dy1 99.71(16) . . ?
O7 Dy2 Dy1 104.14(12) . . ?
N5 Dy2 Dy1 132.47(14) . . ?
N6 Dy2 Dy1 165.34(14) . . ?
O2 Dy2 Dy1 71.39(11) . . ?
O4 Dy2 Dy1 35.75(12) . . ?
Dy3 Dy2 Dy1 63.500(10) . . ?
O9 Dy3 O1 97.22(19) . . ?
O9 Dy3 O8 93.49(19) . . ?
O1 Dy3 O8 135.60(17) . . ?
O9 Dy3 O2 136.07(18) . . ?
O1 Dy3 O2 73.33(17) . . ?
O8 Dy3 O2 69.27(17) . . ?
O9 Dy3 O7 72.40(19) . . ?
O1 Dy3 O7 72.31(17) . . ?
O8 Dy3 O7 70.26(17) . . ?
O2 Dy3 O7 63.81(18) . . ?
O9 Dy3 O15 80.0(2) . . ?
O1 Dy3 O15 77.04(18) . . ?
O8 Dy3 O15 147.36(18) . . ?
O2 Dy3 O15 135.17(18) . . ?
O7 Dy3 O15 135.2(2) . . ?
O9 Dy3 O10 147.22(18) . . ?
O1 Dy3 O10 66.58(17) . . ?
O8 Dy3 O10 118.25(18) . . ?
O2 Dy3 O10 68.81(16) . . ?
O7 Dy3 O10 123.84(17) . . ?
O15 Dy3 O10 68.84(19) . . ?
O9 Dy3 N9 65.6(2) . . ?
O1 Dy3 N9 150.8(2) . . ?
O8 Dy3 N9 71.44(19) . . ?
O2 Dy3 N9 135.53(19) . . ?
O7 Dy3 N9 119.8(2) . . ?
O15 Dy3 N9 76.8(2) . . ?
O10 Dy3 N9 114.7(2) . . ?
O9 Dy3 N10 127.9(2) . . ?
O1 Dy3 N10 125.67(19) . . ?
O8 Dy3 N10 76.53(18) . . ?
O2 Dy3 N10 88.30(19) . . ?
O7 Dy3 N10 142.31(19) . . ?
O15 Dy3 N10 82.4(2) . . ?
O10 Dy3 N10 59.11(18) . . ?
N9 Dy3 N10 62.8(2) . . ?
O9 Dy3 Dy2 102.37(13) . . ?
O1 Dy3 Dy2 40.26(12) . . ?
O8 Dy3 Dy2 95.35(12) . . ?
O2 Dy3 Dy2 43.66(12) . . ?
O7 Dy3 Dy2 40.93(12) . . ?
O15 Dy3 Dy2 117.29(13) . . ?
O10 Dy3 Dy2 83.71(11) . . ?
N9 Dy3 Dy2 160.70(16) . . ?
N10 Dy3 Dy2 129.13(15) . . ?
O9 Dy3 Dy4 127.04(14) . . ?
O1 Dy3 Dy4 109.92(13) . . ?
O8 Dy3 Dy4 36.30(13) . . ?
O2 Dy3 Dy4 36.66(11) . . ?
O7 Dy3 Dy4 73.94(13) . . ?
O15 Dy3 Dy4 148.81(16) . . ?
O10 Dy3 Dy4 85.74(12) . . ?
N9 Dy3 Dy4 99.14(15) . . ?
N10 Dy3 Dy4 68.76(14) . . ?
Dy2 Dy3 Dy4 75.593(11) . . ?
O9 Dy3 Dy1 123.32(14) . . ?
O1 Dy3 Dy1 33.69(13) . . ?
O8 Dy3 Dy1 138.55(13) . . ?
O2 Dy3 Dy1 70.69(11) . . ?
O7 Dy3 Dy1 101.04(12) . . ?
O15 Dy3 Dy1 65.97(13) . . ?
O10 Dy3 Dy1 33.22(11) . . ?
N9 Dy3 Dy1 137.70(16) . . ?
N10 Dy3 Dy1 92.06(14) . . ?
Dy2 Dy3 Dy1 61.267(10) . . ?
Dy4 Dy3 Dy1 102.343(12) . . ?
O11 Dy4 O12 146.4(2) 2_775 . ?
O11 Dy4 O12 95.50(19) 2_775 2_775 ?
O12 Dy4 O12 71.4(2) . 2_775 ?
O11 Dy4 O8 81.0(2) 2_775 . ?
O12 Dy4 O8 126.21(18) . . ?
O12 Dy4 O8 84.03(19) 2_775 . ?
O11 Dy4 O2 134.02(19) 2_775 . ?
O12 Dy4 O2 78.27(18) . . ?
O12 Dy4 O2 116.29(18) 2_775 . ?
O8 Dy4 O2 71.03(17) . . ?
O11 Dy4 O16 85.2(2) 2_775 . ?
O12 Dy4 O16 95.16(18) . . ?
O12 Dy4 O16 156.5(2) 2_775 . ?
O8 Dy4 O16 119.15(19) . . ?
O2 Dy4 O16 77.97(18) . . ?
O11 Dy4 N11 69.4(2) 2_775 2_775 ?
O12 Dy4 N11 77.45(19) . 2_775 ?
O12 Dy4 N11 77.53(19) 2_775 2_775 ?
O8 Dy4 N11 143.04(18) . 2_775 ?
O2 Dy4 N11 145.93(19) . 2_775 ?
O16 Dy4 N11 80.8(2) . 2_775 ?
O11 Dy4 Dy4 124.82(14) 2_775 2_775 ?
O12 Dy4 Dy4 35.73(12) . 2_775 ?
O12 Dy4 Dy4 35.64(13) 2_775 2_775 ?
O8 Dy4 Dy4 107.41(13) . 2_775 ?
O2 Dy4 Dy4 98.50(12) . 2_775 ?
O16 Dy4 Dy4 128.35(14) . 2_775 ?
N11 Dy4 Dy4 74.53(14) 2_775 2_775 ?
O11 Dy4 Dy3 116.72(15) 2_775 . ?
O12 Dy4 Dy3 94.82(13) . . ?
O12 Dy4 Dy3 90.77(13) 2_775 . ?
O8 Dy4 Dy3 37.19(12) . . ?
O2 Dy4 Dy3 37.66(13) . . ?
O16 Dy4 Dy3 109.94(14) . . ?
N11 Dy4 Dy3 167.51(14) 2_775 . ?
Dy4 Dy4 Dy3 93.433(14) 2_775 . ?
Dy3 O1 Dy1 112.7(2) . . ?
Dy3 O1 Dy2 99.61(18) . . ?
Dy1 O1 Dy2 109.1(2) . . ?
Dy4 O2 Dy3 105.68(19) . . ?
Dy4 O2 Dy2 138.3(2) . . ?
Dy3 O2 Dy2 95.15(18) . . ?
C2 O3 Dy1 123.1(5) . . ?
C11 O4 Dy1 120.7(5) . . ?
C11 O4 Dy2 121.9(4) . . ?
Dy1 O4 Dy2 104.4(2) . . ?
C13 O5 Dy2 137.0(5) . . ?
C18 O6 Dy2 124.3(5) . . ?
C27 O7 Dy2 119.2(5) . . ?
C27 O7 Dy3 130.1(5) . . ?
Dy2 O7 Dy3 97.22(18) . . ?
C29 O8 Dy4 125.9(5) . . ?
C29 O8 Dy3 117.8(4) . . ?
Dy4 O8 Dy3 106.5(2) . . ?
C34 O9 Dy3 123.6(6) . . ?
C43 O10 Dy1 127.0(5) . . ?
C43 O10 Dy3 121.0(4) . . ?
Dy1 O10 Dy3 111.0(2) . . ?
C45 O11 Dy4 137.8(5) . 2_775 ?
C51 O12 Dy4 126.5(5) . . ?
C51 O12 Dy4 124.9(5) . 2_775 ?
Dy4 O12 Dy4 108.6(2) . 2_775 ?
C49 O13 Dy1 135.4(5) . . ?
C50 O15 Dy3 131.9(5) . . ?
C52 O16 Dy4 129.4(5) . . ?
C1 N1 C9 119.0(7) . . ?
C1 N1 Dy1 117.2(5) . . ?
C9 N1 Dy1 123.7(5) . . ?
C10 N2 N3 117.8(7) . . ?
C10 N2 Dy1 120.3(6) . . ?
N3 N2 Dy1 121.4(4) . . ?
C11 N3 N2 110.1(6) . . ?
C16 N4 C12 118.6(8) . . ?
C17 N5 C25 117.6(7) . . ?
C17 N5 Dy2 119.8(5) . . ?
C25 N5 Dy2 122.3(5) . . ?
C26 N6 N7 117.0(7) . . ?
C26 N6 Dy2 122.5(5) . . ?
N7 N6 Dy2 120.3(5) . . ?
C27 N7 N6 108.8(6) . . ?
C28 N8 C32 117.6(8) . . ?
C33 N9 C41 120.2(7) . . ?
C33 N9 Dy3 117.0(5) . . ?
C41 N9 Dy3 121.7(5) . . ?
C42 N10 N11 115.7(7) . . ?
C42 N10 Dy3 122.3(5) . . ?
N11 N10 Dy3 121.9(4) . . ?
C43 N11 N10 108.3(6) . . ?
C43 N11 Dy4 117.8(5) . 2_775 ?
N10 N11 Dy4 119.1(4) . 2_775 ?
C48 N12 C44 117.2(7) . . ?
C48 N12 Dy1 125.1(5) . . ?
C44 N12 Dy1 117.2(5) . . ?
N1 C1 C6 123.0(8) . . ?
N1 C1 C2 115.4(7) . . ?
C6 C1 C2 121.5(8) . . ?
O3 C2 C3 125.9(8) . . ?
O3 C2 C1 116.6(7) . . ?
C3 C2 C1 117.5(8) . . ?
C2 C3 C4 119.3(9) . . ?
C5 C4 C3 122.5(10) . . ?
C4 C5 C6 121.1(9) . . ?
C5 C6 C1 117.9(9) . . ?
C5 C6 C7 126.6(9) . . ?
C1 C6 C7 115.5(8) . . ?
C8 C7 C6 120.3(8) . . ?
C9 C8 C7 120.7(9) . . ?
N1 C9 C8 121.3(8) . . ?
N1 C9 C10 111.7(7) . . ?
C8 C9 C10 126.7(8) . . ?
N2 C10 C9 118.8(7) . . ?
O4 C11 N3 124.0(7) . . ?
O4 C11 C12 119.8(6) . . ?
N3 C11 C12 116.2(7) . . ?
N4 C12 C13 122.4(7) . . ?
N4 C12 C11 114.1(7) . . ?
C13 C12 C11 123.5(7) . . ?
O5 C13 C14 121.5(7) . . ?
O5 C13 C12 123.6(7) . . ?
C14 C13 C12 114.8(7) . . ?
C15 C14 C13 123.0(8) . . ?
C16 C15 C14 116.5(9) . . ?
N4 C16 C15 124.5(9) . . ?
N5 C17 C22 125.6(7) . . ?
N5 C17 C18 113.4(7) . . ?
C22 C17 C18 121.0(7) . . ?
O6 C18 C19 126.4(8) . . ?
O6 C18 C17 117.1(7) . . ?
C19 C18 C17 116.5(7) . . ?
C18 C19 C20 121.0(8) . . ?
C21 C20 C19 122.8(8) . . ?
C22 C21 C20 118.5(8) . . ?
C21 C22 C23 125.8(8) . . ?
C21 C22 C17 119.9(8) . . ?
C23 C22 C17 113.9(8) . . ?
C24 C23 C22 122.4(8) . . ?
C23 C24 C25 118.5(9) . . ?
N5 C25 C24 121.8(8) . . ?
N5 C25 C26 113.8(7) . . ?
C24 C25 C26 124.2(8) . . ?
N6 C26 C25 116.3(7) . . ?
O7 C27 N7 125.7(7) . . ?
O7 C27 C28 117.8(7) . . ?
N7 C27 C28 116.5(7) . . ?
N8 C28 C29 124.3(7) . . ?
N8 C28 C27 117.2(7) . . ?
C29 C28 C27 118.4(7) . . ?
O8 C29 C30 122.5(7) . . ?
O8 C29 C28 120.5(7) . . ?
C30 C29 C28 117.0(7) . . ?
C31 C30 C29 119.5(8) . . ?
C30 C31 C32 121.3(8) . . ?
N8 C32 C31 120.1(9) . . ?
N9 C33 C38 122.3(8) . . ?
N9 C33 C34 115.9(8) . . ?
C38 C33 C34 121.8(8) . . ?
O9 C34 C35 125.7(9) . . ?
O9 C34 C33 116.6(8) . . ?
C35 C34 C33 117.7(8) . . ?
C34 C35 C36 119.3(10) . . ?
C37 C36 C35 124.5(9) . . ?
C36 C37 C38 118.7(9) . . ?
C39 C38 C37 124.9(8) . . ?
C39 C38 C33 117.1(8) . . ?
C37 C38 C33 118.0(9) . . ?
C40 C39 C38 120.0(8) . . ?
C39 C40 C41 119.3(9) . . ?
N9 C41 C40 121.0(8) . . ?
N9 C41 C42 115.3(7) . . ?
C40 C41 C42 123.7(8) . . ?
N10 C42 C41 117.0(7) . . ?
O10 C43 N11 123.1(7) . . ?
O10 C43 C44 116.5(6) . . ?
N11 C43 C44 120.3(7) . . ?
N12 C44 C45 123.0(7) . . ?
N12 C44 C43 112.4(7) . . ?
C45 C44 C43 124.4(7) . . ?
O11 C45 C46 122.2(8) . . ?
O11 C45 C44 121.6(8) . . ?
C46 C45 C44 116.2(7) . . ?
C45 C46 C47 121.5(9) . . ?
C48 C47 C46 119.2(9) . . ?
N12 C48 C47 122.6(8) . . ?
N13 C58 C59 172.9(19) . . ?

_refine_diff_density_max         1.522
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.237

