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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1885143'
_audit_update_record             
;
2019-04-02 deposited with the CCDC.	2019-04-04 downloaded from the CCDC.
;
_audit_creation_date             2019-03-30
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.03.18 svn.r3573 for OlexSys, GUI svn.r5716)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C82 H78 Dy4 N6 O20, 2(O1)'
_chemical_formula_sum            'C82 H78 Dy4 N6 O22'
_chemical_formula_weight         2149.50
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.9503(6)
_cell_length_b                   26.2419(12)
_cell_length_c                   11.7165(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.2960(10)
_cell_angle_gamma                90
_cell_volume                     3970.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9853
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.680
_shelx_estimated_absorpt_T_min   0.548
_exptl_absorpt_coefficient_mu    3.799
_exptl_absorpt_correction_T_max  0.9819
_exptl_absorpt_correction_T_min  0.5427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            40559
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.434
_diffrn_reflns_theta_min         2.213
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6539
_reflns_number_total             8146
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.901
_refine_diff_density_min         -1.697
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         8146
_refine_ls_number_restraints     260
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0485
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0233P)²+39.3285P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1133
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 H34-H37A
 2.2 with sigma of 0.02
 H1-O1
 0.82 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C28) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C36) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39)
\\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C40A) \\sim Ueq,
Uanis(C39A) \\sim Ueq, Uanis(C38A) \\sim Ueq, Uanis(C37A) \\sim Ueq,
Uanis(C41A) \\sim Ueq, Uanis(C36A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O11A) \\sim Ueq, Uanis(O11) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O8, N3, C29, C30, C31
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O9, O10, C32, C33, C34, C35, C36, C36A, C37, C37A, C38, C38A, C39, C39A, C40,
 C40A, C41, C41A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C40A)=Sof(H40A)=Sof(C39A)=Sof(H39A)=Sof(C38A)=Sof(H38A)=Sof(C37A)=
 Sof(H37A)=Sof(C41A)=Sof(C36A)=Sof(H36A)=1-FVAR(1)
 Sof(C36)=Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38)=Sof(C39)=Sof(H39)=Sof(C40)=
 Sof(H40)=Sof(C41)=Sof(H41)=FVAR(1)
 Sof(O11A)=1-FVAR(2)
 Sof(O11)=FVAR(2)
6.a Riding coordinates:
 O1(H1)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26),
  C29(H29), C34(H34), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41),
 C40A(H40A), C39A(H39A), C38A(H38A), C37A(H37A), C36A(H36A)
6.c Fitted hexagon refined as free rotating group:
 C36(C37,C38,C39,C40,C41), C40A(C39A,C38A,C37A,C41A,C36A)
6.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.91337(3) 0.52726(2) 0.36991(3) 0.03253(10) Uani 1 1 d . . . . .
Dy2 Dy 1.04375(3) 0.61419(2) 0.55063(3) 0.03666(11) Uani 1 1 d . . . . .
O1 O 1.0383(4) 0.46638(16) 0.4328(4) 0.0345(11) Uani 1 1 d D . . . .
H1 H 1.070412 0.456140 0.376448 0.052 Uiso 1 1 d DR . . . .
O2 O 0.8354(4) 0.44850(18) 0.3888(4) 0.0386(11) Uani 1 1 d . . . . .
O3 O 0.8894(4) 0.61201(18) 0.4333(5) 0.0420(12) Uani 1 1 d . . . . .
O4 O 0.8248(5) 0.3620(2) 0.2843(5) 0.0547(15) Uani 1 1 d . . . . .
O5 O 1.0340(5) 0.69808(19) 0.5477(5) 0.0571(16) Uani 1 1 d . . . . .
O6 O 1.0660(4) 0.57506(16) 0.3736(4) 0.0313(10) Uani 1 1 d . . . . .
O7 O 0.9713(8) 0.7787(2) 0.6539(7) 0.094(3) Uani 1 1 d . . . . .
O8 O 0.9379(5) 0.6237(2) 0.7047(5) 0.0587(16) Uani 1 1 d . U . . .
O9 O 0.8108(7) 0.5583(4) 0.2163(7) 0.110(3) Uani 1 1 d . U . . .
O10 O 0.9584(5) 0.4883(2) 0.1977(5) 0.0536(15) Uani 1 1 d . U . . .
N1 N 0.7314(5) 0.5432(2) 0.4319(5) 0.0376(14) Uani 1 1 d . . . . .
N2 N 1.1960(5) 0.6449(2) 0.4574(5) 0.0378(14) Uani 1 1 d . . . . .
N3 N 0.8215(10) 0.6554(4) 0.8178(9) 0.102(4) Uani 1 1 d . U . . .
C1 C 0.6527(6) 0.4643(3) 0.3545(7) 0.0475(19) Uani 1 1 d . . . . .
C2 C 0.7416(7) 0.4346(3) 0.3455(6) 0.0438(18) Uani 1 1 d . . . . .
C3 C 0.7313(8) 0.3871(3) 0.2884(7) 0.053(2) Uani 1 1 d . . . . .
C4 C 0.6386(9) 0.3693(4) 0.2434(9) 0.073(3) Uani 1 1 d . . . . .
H4 H 0.634239 0.337560 0.204387 0.087 Uiso 1 1 calc R . . . .
C5 C 0.5510(10) 0.3980(5) 0.2550(10) 0.086(4) Uani 1 1 d . . . . .
H5 H 0.485668 0.385254 0.225454 0.104 Uiso 1 1 calc R . . . .
C6 C 0.5560(8) 0.4450(4) 0.3088(9) 0.068(3) Uani 1 1 d . . . . .
H6 H 0.494673 0.464396 0.315109 0.081 Uiso 1 1 calc R . . . .
C7 C 0.6527(6) 0.5144(3) 0.4031(7) 0.0454(19) Uani 1 1 d . . . . .
H7 H 0.586639 0.528172 0.415654 0.054 Uiso 1 1 calc R . . . .
C8 C 0.7146(6) 0.5934(3) 0.4714(7) 0.0467(19) Uani 1 1 d . . . . .
C9 C 0.6221(8) 0.6109(4) 0.5127(9) 0.065(3) Uani 1 1 d . . . . .
H9 H 0.565881 0.587979 0.517692 0.078 Uiso 1 1 calc R . . . .
C10 C 0.6115(9) 0.6605(4) 0.5459(10) 0.080(3) Uani 1 1 d . . . . .
H10 H 0.548319 0.671593 0.573846 0.096 Uiso 1 1 calc R . . . .
C11 C 0.6920(8) 0.6944(4) 0.5390(9) 0.068(3) Uani 1 1 d . . . . .
H11 H 0.683417 0.728913 0.560522 0.082 Uiso 1 1 calc R . . . .
C12 C 0.7842(8) 0.6786(3) 0.5014(8) 0.057(2) Uani 1 1 d . . . . .
H12 H 0.839606 0.702099 0.498003 0.068 Uiso 1 1 calc R . . . .
C13 C 0.7973(6) 0.6275(3) 0.4677(7) 0.0432(18) Uani 1 1 d . . . . .
C14 C 0.8268(10) 0.3209(4) 0.2008(8) 0.077(3) Uani 1 1 d . . . . .
H14A H 0.897642 0.307905 0.199402 0.115 Uiso 1 1 calc GR . . . .
H14B H 0.803340 0.333905 0.124799 0.115 Uiso 1 1 calc GR . . . .
H14C H 0.780891 0.293384 0.221972 0.115 Uiso 1 1 calc GR . . . .
C15 C 1.2024(8) 0.7319(3) 0.5312(7) 0.050(2) Uani 1 1 d . . . . .
C16 C 1.1016(8) 0.7341(3) 0.5648(7) 0.054(2) Uani 1 1 d . . . . .
C17 C 1.0686(10) 0.7791(3) 0.6241(8) 0.068(3) Uani 1 1 d . . . . .
C18 C 1.1417(12) 0.8173(4) 0.6527(9) 0.082(4) Uani 1 1 d . . . . .
H18 H 1.122597 0.845822 0.696353 0.098 Uiso 1 1 calc R . . . .
C19 C 1.2412(11) 0.8140(3) 0.6182(8) 0.074(3) Uani 1 1 d . . . . .
H19 H 1.288697 0.840936 0.636327 0.088 Uiso 1 1 calc R . . . .
C20 C 1.2730(9) 0.7724(3) 0.5580(8) 0.064(3) Uani 1 1 d . . . . .
H20 H 1.341594 0.770892 0.534603 0.077 Uiso 1 1 calc R . . . .
C21 C 1.2396(7) 0.6892(3) 0.4668(7) 0.0458(19) Uani 1 1 d . . . . .
H21 H 1.300871 0.694184 0.428507 0.055 Uiso 1 1 calc R . . . .
C22 C 1.2362(6) 0.6068(3) 0.3863(6) 0.0361(16) Uani 1 1 d . . . . .
C23 C 1.3390(6) 0.6027(3) 0.3612(7) 0.0444(18) Uani 1 1 d . . . . .
H23 H 1.388693 0.626158 0.393667 0.053 Uiso 1 1 calc R . . . .
C24 C 1.3693(6) 0.5649(3) 0.2897(8) 0.051(2) Uani 1 1 d . . . . .
H24 H 1.439371 0.562603 0.271519 0.061 Uiso 1 1 calc R . . . .
C25 C 1.2968(6) 0.5302(3) 0.2443(7) 0.0446(18) Uani 1 1 d . . . . .
H25 H 1.317860 0.504364 0.194314 0.054 Uiso 1 1 calc R . . . .
C26 C 1.1946(6) 0.5324(3) 0.2700(6) 0.0384(16) Uani 1 1 d . . . . .
H26 H 1.146096 0.508132 0.238289 0.046 Uiso 1 1 calc R . . . .
C27 C 1.1625(6) 0.5710(2) 0.3439(6) 0.0336(15) Uani 1 1 d . . . . .
C28 C 0.9414(13) 0.8201(5) 0.7237(14) 0.125(6) Uani 1 1 d . U . . .
H28A H 0.946314 0.852146 0.681565 0.188 Uiso 1 1 calc GR . . . .
H28B H 0.987383 0.821423 0.793925 0.188 Uiso 1 1 calc GR . . . .
H28C H 0.869844 0.815029 0.743359 0.188 Uiso 1 1 calc GR . . . .
C29 C 0.8945(10) 0.6599(4) 0.7474(9) 0.078(3) Uani 1 1 d . U . . .
H29 H 0.915344 0.693303 0.727891 0.093 Uiso 1 1 calc R . . . .
C30 C 0.7729(15) 0.6065(6) 0.8395(17) 0.149(7) Uani 1 1 d . U . . .
H30A H 0.726418 0.596974 0.773091 0.224 Uiso 1 1 calc GR . . . .
H30B H 0.733197 0.609379 0.907176 0.224 Uiso 1 1 calc GR . . . .
H30C H 0.826518 0.580375 0.852803 0.224 Uiso 1 1 calc GR . . . .
C31 C 0.7749(16) 0.6995(6) 0.8681(16) 0.166(7) Uani 1 1 d . U . . .
H31A H 0.771786 0.694037 0.950506 0.248 Uiso 1 1 calc GR . . . .
H31B H 0.704662 0.704391 0.832499 0.248 Uiso 1 1 calc GR . . . .
H31C H 0.816682 0.729770 0.855218 0.248 Uiso 1 1 calc GR . . . .
C32 C 0.9471(13) 0.4337(4) 0.0384(9) 0.114(5) Uani 1 1 d . U . . .
H32A H 1.003515 0.447810 -0.003106 0.171 Uiso 1 1 calc GR . . . .
H32B H 0.891500 0.421791 -0.016543 0.171 Uiso 1 1 calc GR . . . .
H32C H 0.973148 0.405083 0.085912 0.171 Uiso 1 1 calc GR . . . .
C33 C 0.9060(11) 0.4741(5) 0.1130(9) 0.089(3) Uani 1 1 d . U . . .
C34 C 0.8096(12) 0.4967(9) 0.0765(14) 0.145(6) Uani 1 1 d . U . . .
H34 H 0.769852 0.484078 0.011137 0.174 Uiso 1 1 calc DR . . . .
C35 C 0.7718(14) 0.5405(10) 0.1420(14) 0.144(5) Uani 1 1 d . U . . .
C36 C 0.6692(17) 0.5770(11) 0.112(2) 0.163(8) Uani 0.608(12) 1 d . U P A 1
C37 C 0.591(2) 0.5556(8) 0.039(2) 0.168(9) Uani 0.608(12) 1 d G U P A 1
H37 H 0.597888 0.521621 0.012539 0.202 Uiso 0.608(12) 1 calc R . P A 1
C38 C 0.5037(18) 0.5840(12) 0.005(2) 0.180(10) Uani 0.608(12) 1 d G U P A 1
H38 H 0.450463 0.569326 -0.045139 0.216 Uiso 0.608(12) 1 calc R . P A 1
C39 C 0.4940(17) 0.6337(11) 0.043(2) 0.189(10) Uani 0.608(12) 1 d G U P A 1
H39 H 0.434170 0.653062 0.019775 0.227 Uiso 0.608(12) 1 calc R . P A 1
C40 C 0.572(2) 0.6551(8) 0.116(2) 0.185(10) Uani 0.608(12) 1 d G U P A 1
H40 H 0.565301 0.689094 0.142367 0.222 Uiso 0.608(12) 1 calc R . P A 1
C41 C 0.6595(19) 0.6268(11) 0.1503(19) 0.170(9) Uani 0.608(12) 1 d G U P A 1
H41 H 0.712727 0.641390 0.200047 0.204 Uiso 0.608(12) 1 calc R . P A 1
C40A C 0.516(2) 0.5906(9) 0.057(3) 0.134(9) Uani 0.392(12) 1 d . U P A -2
H40A H 0.491245 0.624401 0.065136 0.161 Uiso 0.392(12) 1 calc R . P A -2
C39A C 0.4504(17) 0.5533(12) 0.008(3) 0.121(9) Uani 0.392(12) 1 d G U P A -2
H39A H 0.381089 0.561696 -0.017620 0.146 Uiso 0.392(12) 1 calc R . P A -2
C38A C 0.4864(14) 0.5039(11) -0.004(3) 0.111(8) Uani 0.392(12) 1 d G U P A -2
H38A H 0.441673 0.478414 -0.037790 0.133 Uiso 0.392(12) 1 calc R . P A -2
C37A C 0.5878(13) 0.4916(8) 0.033(3) 0.112(8) Uani 0.392(12) 1 d G U P A -2
H37A H 0.612413 0.457835 0.024795 0.134 Uiso 0.392(12) 1 calc DR . P A -2
C41A C 0.6533(15) 0.5289(10) 0.082(2) 0.111(7) Uani 0.392(12) 1 d G U P A -2
C36A C 0.617(2) 0.5784(10) 0.094(3) 0.116(8) Uani 0.392(12) 1 d G U P A -2
H36A H 0.661989 0.603822 0.127722 0.140 Uiso 0.392(12) 1 calc R . P A -2
O11 O 0.449(2) 0.1984(13) 0.250(3) 0.181(15) Uani 0.49(3) 1 d . U P B 2
O11A O 0.503(2) 0.2493(11) 0.153(3) 0.171(13) Uani 0.51(3) 1 d . U P B 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.9178(7) 3_766 ?
Dy1 Dy2 3.8569(5) 3_766 ?
Dy1 Dy2 3.4644(5) . ?
Dy1 O1 2.352(5) . ?
Dy1 O1 2.356(5) 3_766 ?
Dy1 O2 2.318(5) . ?
Dy1 O3 2.373(5) . ?
Dy1 O6 2.339(4) . ?
Dy1 O9 2.304(8) . ?
Dy1 O10 2.373(5) . ?
Dy1 N1 2.552(6) . ?
Dy2 O1 2.380(4) 3_766 ?
Dy2 O2 2.344(5) 3_766 ?
Dy2 O3 2.340(6) . ?
Dy2 O4 2.556(6) 3_766 ?
Dy2 O5 2.205(5) . ?
Dy2 O6 2.351(5) . ?
Dy2 O8 2.360(6) . ?
Dy2 N2 2.460(6) . ?
O1 H1 0.8498 . ?
O2 C2 1.332(9) . ?
O3 C13 1.349(9) . ?
O4 C3 1.381(11) . ?
O4 C14 1.457(9) . ?
O5 C16 1.295(10) . ?
O6 C27 1.326(8) . ?
O7 C17 1.332(14) . ?
O7 C28 1.431(11) . ?
O8 C29 1.228(11) . ?
O9 C35 1.08(2) . ?
O10 C33 1.219(12) . ?
N1 C7 1.294(10) . ?
N1 C8 1.417(10) . ?
N2 C21 1.293(9) . ?
N2 C22 1.425(9) . ?
N3 C29 1.306(13) . ?
N3 C30 1.458(17) . ?
N3 C31 1.451(15) . ?
C1 C2 1.401(12) . ?
C1 C6 1.417(12) . ?
C1 C7 1.433(12) . ?
C2 C3 1.417(11) . ?
C3 C4 1.357(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.377(17) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(16) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.403(12) . ?
C8 C13 1.398(11) . ?
C9 H9 0.9500 . ?
C9 C10 1.367(14) . ?
C10 H10 0.9500 . ?
C10 C11 1.377(15) . ?
C11 H11 0.9500 . ?
C11 C12 1.367(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.412(11) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.393(13) . ?
C15 C20 1.423(12) . ?
C15 C21 1.453(11) . ?
C16 C17 1.451(12) . ?
C17 C18 1.401(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.378(14) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.389(11) . ?
C22 C27 1.404(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.385(12) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(11) . ?
C26 H26 0.9500 . ?
C26 C27 1.414(10) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C33 1.497(18) . ?
C33 C34 1.42(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.48(3) . ?
C35 C36 1.65(3) . ?
C35 C41A 1.67(3) . ?
C36 C37 1.3900 . ?
C36 C41 1.3900 . ?
C37 H37 0.9500 . ?
C37 C38 1.3900 . ?
C38 H38 0.9500 . ?
C38 C39 1.3900 . ?
C39 H39 0.9500 . ?
C39 C40 1.3900 . ?
C40 H40 0.9500 . ?
C40 C41 1.3900 . ?
C41 H41 0.9500 . ?
C40A H40A 0.9500 . ?
C40A C39A 1.3900 . ?
C40A C36A 1.3900 . ?
C39A H39A 0.9500 . ?
C39A C38A 1.3900 . ?
C38A H38A 0.9500 . ?
C38A C37A 1.3900 . ?
C37A H37A 0.9500 . ?
C37A C41A 1.3900 . ?
C41A C36A 1.3900 . ?
C36A H36A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy1 Dy1 52.916(9) 3_766 3_766 ?
Dy2 Dy1 Dy1 62.639(11) . 3_766 ?
Dy2 Dy1 Dy2 115.555(11) . 3_766 ?
O1 Dy1 Dy1 33.64(11) 3_766 3_766 ?
O1 Dy1 Dy1 33.70(12) . 3_766 ?
O1 Dy1 Dy2 78.95(10) 3_766 3_766 ?
O1 Dy1 Dy2 35.66(11) . 3_766 ?
O1 Dy1 Dy2 87.92(11) . . ?
O1 Dy1 Dy2 43.27(11) 3_766 . ?
O1 Dy1 O1 67.34(19) . 3_766 ?
O1 Dy1 O3 129.92(17) . . ?
O1 Dy1 O3 69.97(17) 3_766 . ?
O1 Dy1 O10 76.51(19) . . ?
O1 Dy1 O10 143.21(19) 3_766 . ?
O1 Dy1 N1 130.57(17) . . ?
O1 Dy1 N1 83.82(18) 3_766 . ?
O2 Dy1 Dy1 80.12(12) . 3_766 ?
O2 Dy1 Dy2 136.44(12) . . ?
O2 Dy1 Dy2 34.39(13) . 3_766 ?
O2 Dy1 O1 70.04(17) . . ?
O2 Dy1 O1 93.18(16) . 3_766 ?
O2 Dy1 O3 137.54(18) . . ?
O2 Dy1 O6 148.20(17) . . ?
O2 Dy1 O10 80.42(18) . . ?
O2 Dy1 N1 72.62(19) . . ?
O3 Dy1 Dy1 100.33(13) . 3_766 ?
O3 Dy1 Dy2 147.81(13) . 3_766 ?
O3 Dy1 Dy2 42.32(13) . . ?
O3 Dy1 O10 135.74(19) . . ?
O3 Dy1 N1 67.15(19) . . ?
O6 Dy1 Dy1 75.36(11) . 3_766 ?
O6 Dy1 Dy2 113.91(11) . 3_766 ?
O6 Dy1 Dy2 42.51(11) . . ?
O6 Dy1 O1 77.37(16) . 3_766 ?
O6 Dy1 O1 78.35(15) . . ?
O6 Dy1 O3 67.77(17) . . ?
O6 Dy1 O10 89.17(18) . . ?
O6 Dy1 N1 134.73(18) . . ?
O9 Dy1 Dy1 179.3(3) . 3_766 ?
O9 Dy1 Dy2 118.1(3) . . ?
O9 Dy1 Dy2 126.4(3) . 3_766 ?
O9 Dy1 O1 145.8(3) . . ?
O9 Dy1 O1 146.8(3) . 3_766 ?
O9 Dy1 O2 99.2(3) . . ?
O9 Dy1 O3 80.3(3) . . ?
O9 Dy1 O6 105.2(3) . . ?
O9 Dy1 O10 69.6(3) . . ?
O9 Dy1 N1 71.0(2) . . ?
O10 Dy1 Dy1 109.96(15) . 3_766 ?
O10 Dy1 Dy2 75.57(14) . 3_766 ?
O10 Dy1 Dy2 131.57(15) . . ?
O10 Dy1 N1 127.1(2) . . ?
N1 Dy1 Dy1 109.01(13) . 3_766 ?
N1 Dy1 Dy2 97.82(14) . . ?
N1 Dy1 Dy2 102.04(13) . 3_766 ?
Dy1 Dy2 Dy1 64.445(11) . 3_766 ?
O1 Dy2 Dy1 35.17(11) 3_766 3_766 ?
O1 Dy2 Dy1 42.71(12) 3_766 . ?
O1 Dy2 O4 115.55(17) 3_766 3_766 ?
O1 Dy2 N2 134.80(18) 3_766 . ?
O2 Dy2 Dy1 90.39(12) 3_766 . ?
O2 Dy2 Dy1 33.96(12) 3_766 3_766 ?
O2 Dy2 O1 69.13(16) 3_766 3_766 ?
O2 Dy2 O4 63.30(17) 3_766 3_766 ?
O2 Dy2 O6 80.64(16) 3_766 . ?
O2 Dy2 O8 104.8(2) 3_766 . ?
O2 Dy2 N2 79.94(18) 3_766 . ?
O3 Dy2 Dy1 102.68(11) . 3_766 ?
O3 Dy2 Dy1 43.05(11) . . ?
O3 Dy2 O1 70.10(16) . 3_766 ?
O3 Dy2 O2 133.03(16) . 3_766 ?
O3 Dy2 O4 160.29(18) . 3_766 ?
O3 Dy2 O6 68.11(17) . . ?
O3 Dy2 O8 86.1(2) . . ?
O3 Dy2 N2 115.15(19) . . ?
O4 Dy2 Dy1 88.68(13) 3_766 3_766 ?
O4 Dy2 Dy1 152.84(13) 3_766 . ?
O5 Dy2 Dy1 166.31(17) . 3_766 ?
O5 Dy2 Dy1 128.54(17) . . ?
O5 Dy2 O1 149.6(2) . 3_766 ?
O5 Dy2 O2 137.9(2) . 3_766 ?
O5 Dy2 O3 88.3(2) . . ?
O5 Dy2 O4 78.6(2) . 3_766 ?
O5 Dy2 O6 115.65(19) . . ?
O5 Dy2 O8 82.5(2) . . ?
O5 Dy2 N2 73.3(2) . . ?
O6 Dy2 Dy1 42.24(11) . . ?
O6 Dy2 Dy1 76.56(11) . 3_766 ?
O6 Dy2 O1 76.65(16) . 3_766 ?
O6 Dy2 O4 130.93(18) . 3_766 ?
O6 Dy2 O8 146.89(19) . . ?
O6 Dy2 N2 66.18(17) . . ?
O8 Dy2 Dy1 89.94(14) . 3_766 ?
O8 Dy2 Dy1 104.66(15) . . ?
O8 Dy2 O1 75.14(18) . 3_766 ?
O8 Dy2 O4 77.7(2) . 3_766 ?
O8 Dy2 N2 146.7(2) . . ?
N2 Dy2 Dy1 108.33(14) . . ?
N2 Dy2 Dy1 108.47(13) . 3_766 ?
N2 Dy2 O4 75.2(2) . 3_766 ?
Dy1 O1 Dy1 112.66(19) . 3_766 ?
Dy1 O1 Dy2 109.17(19) . 3_766 ?
Dy1 O1 Dy2 94.02(16) 3_766 3_766 ?
Dy1 O1 H1 132.4 3_766 . ?
Dy1 O1 H1 109.7 . . ?
Dy2 O1 H1 91.7 3_766 . ?
Dy1 O2 Dy2 111.7(2) . 3_766 ?
C2 O2 Dy1 126.8(4) . . ?
C2 O2 Dy2 119.5(4) . 3_766 ?
Dy2 O3 Dy1 94.63(17) . . ?
C13 O3 Dy1 121.0(5) . . ?
C13 O3 Dy2 123.5(5) . . ?
C3 O4 Dy2 113.1(4) . 3_766 ?
C3 O4 C14 115.8(8) . . ?
C14 O4 Dy2 130.1(6) . 3_766 ?
C16 O5 Dy2 133.6(6) . . ?
Dy1 O6 Dy2 95.24(16) . . ?
C27 O6 Dy1 139.7(4) . . ?
C27 O6 Dy2 116.6(4) . . ?
C17 O7 C28 116.4(9) . . ?
C29 O8 Dy2 134.7(6) . . ?
C35 O9 Dy1 133.2(16) . . ?
C33 O10 Dy1 131.9(8) . . ?
C7 N1 Dy1 123.8(5) . . ?
C7 N1 C8 119.4(7) . . ?
C8 N1 Dy1 114.4(5) . . ?
C21 N2 Dy2 128.0(6) . . ?
C21 N2 C22 120.3(7) . . ?
C22 N2 Dy2 111.7(4) . . ?
C29 N3 C30 122.2(10) . . ?
C29 N3 C31 121.8(12) . . ?
C31 N3 C30 115.6(12) . . ?
C2 C1 C6 118.8(9) . . ?
C2 C1 C7 124.4(7) . . ?
C6 C1 C7 116.8(9) . . ?
O2 C2 C1 123.4(7) . . ?
O2 C2 C3 118.1(8) . . ?
C1 C2 C3 118.4(8) . . ?
O4 C3 C2 112.6(7) . . ?
C4 C3 O4 125.1(9) . . ?
C4 C3 C2 122.3(10) . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.1(10) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.4(10) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0(10) . . ?
C5 C6 H6 120.0 . . ?
N1 C7 C1 128.1(8) . . ?
N1 C7 H7 116.0 . . ?
C1 C7 H7 116.0 . . ?
C9 C8 N1 124.9(8) . . ?
C13 C8 N1 116.6(7) . . ?
C13 C8 C9 118.5(8) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.1(10) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.3(9) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(9) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.3(9) . . ?
C13 C12 H12 119.9 . . ?
O3 C13 C8 120.9(7) . . ?
O3 C13 C12 119.8(7) . . ?
C8 C13 C12 119.3(8) . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 120.4(8) . . ?
C16 C15 C21 122.2(7) . . ?
C20 C15 C21 117.4(9) . . ?
O5 C16 C15 124.2(7) . . ?
O5 C16 C17 116.7(9) . . ?
C15 C16 C17 119.1(8) . . ?
O7 C17 C16 115.9(8) . . ?
O7 C17 C18 125.4(9) . . ?
C18 C17 C16 118.5(11) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 120.9(10) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.3(9) . . ?
C20 C19 H19 119.3 . . ?
C15 C20 H20 120.2 . . ?
C19 C20 C15 119.6(11) . . ?
C19 C20 H20 120.2 . . ?
N2 C21 C15 125.3(8) . . ?
N2 C21 H21 117.3 . . ?
C15 C21 H21 117.3 . . ?
C23 C22 N2 125.2(7) . . ?
C23 C22 C27 120.7(7) . . ?
C27 C22 N2 114.1(6) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(8) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.3 . . ?
C23 C24 C25 119.5(8) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.2 . . ?
C26 C25 C24 121.5(7) . . ?
C26 C25 H25 119.2 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.6(7) . . ?
C27 C26 H26 120.2 . . ?
O6 C27 C22 118.8(6) . . ?
O6 C27 C26 123.0(6) . . ?
C22 C27 C26 118.2(7) . . ?
O7 C28 H28A 109.5 . . ?
O7 C28 H28B 109.5 . . ?
O7 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O8 C29 N3 124.2(10) . . ?
O8 C29 H29 117.9 . . ?
N3 C29 H29 117.9 . . ?
N3 C30 H30A 109.5 . . ?
N3 C30 H30B 109.5 . . ?
N3 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 H31A 109.5 . . ?
N3 C31 H31B 109.5 . . ?
N3 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
O10 C33 C32 119.5(13) . . ?
O10 C33 C34 122.7(14) . . ?
C34 C33 C32 117.7(12) . . ?
C33 C34 H34 120.5 . . ?
C33 C34 C35 119.0(13) . . ?
C35 C34 H34 120.5 . . ?
O9 C35 C34 126.8(18) . . ?
O9 C35 C36 104(2) . . ?
O9 C35 C41A 141(2) . . ?
C34 C35 C36 128.9(18) . . ?
C34 C35 C41A 88.3(18) . . ?
C37 C36 C35 116(2) . . ?
C37 C36 C41 120.0 . . ?
C41 C36 C35 124(2) . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C36 C41 H41 120.0 . . ?
C40 C41 C36 120.0 . . ?
C40 C41 H41 120.0 . . ?
C39A C40A H40A 120.0 . . ?
C39A C40A C36A 120.0 . . ?
C36A C40A H40A 120.0 . . ?
C40A C39A H39A 120.0 . . ?
C38A C39A C40A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C39A C38A C37A 120.0 . . ?
C37A C38A H38A 120.0 . . ?
C38A C37A H37A 120.0 . . ?
C41A C37A C38A 120.0 . . ?
C41A C37A H37A 120.0 . . ?
C37A C41A C35 144.7(18) . . ?
C37A C41A C36A 120.0 . . ?
C36A C41A C35 95.3(18) . . ?
C40A C36A H36A 120.0 . . ?
C41A C36A C40A 120.0 . . ?
C41A C36A H36A 120.0 . . ?

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
Dy1 O2 C2 C1 -47.4(9) . . . . ?
Dy1 O2 C2 C3 133.3(6) . . . . ?
Dy1 O3 C13 C8 2.7(10) . . . . ?
Dy1 O3 C13 C12 -177.9(6) . . . . ?
Dy1 O6 C27 C22 -166.0(5) . . . . ?
Dy1 O6 C27 C26 14.8(10) . . . . ?
Dy1 O9 C35 C34 -36(3) . . . . ?
Dy1 O9 C35 C36 150.0(14) . . . . ?
Dy1 O9 C35 C41A 114(3) . . . . ?
Dy1 O10 C33 C32 -156.3(8) . . . . ?
Dy1 O10 C33 C34 28.3(17) . . . . ?
Dy1 N1 C7 C1 14.2(11) . . . . ?
Dy1 N1 C8 C9 -178.3(7) . . . . ?
Dy1 N1 C8 C13 2.0(9) . . . . ?
Dy2 O2 C2 C1 150.2(6) 3_766 . . . ?
Dy2 O2 C2 C3 -29.1(8) 3_766 . . . ?
Dy2 O3 C13 C8 -118.1(7) . . . . ?
Dy2 O3 C13 C12 61.4(9) . . . . ?
Dy2 O4 C3 C2 27.0(8) 3_766 . . . ?
Dy2 O4 C3 C4 -153.2(8) 3_766 . . . ?
Dy2 O5 C16 C15 36.6(13) . . . . ?
Dy2 O5 C16 C17 -142.6(7) . . . . ?
Dy2 O6 C27 C22 -27.5(7) . . . . ?
Dy2 O6 C27 C26 153.3(5) . . . . ?
Dy2 O8 C29 N3 164.8(9) . . . . ?
Dy2 N2 C21 C15 -3.9(12) . . . . ?
Dy2 N2 C22 C23 -151.7(6) . . . . ?
Dy2 N2 C22 C27 26.4(7) . . . . ?
O2 C2 C3 O4 -1.4(10) . . . . ?
O2 C2 C3 C4 178.8(8) . . . . ?
O4 C3 C4 C5 179.1(9) . . . . ?
O5 C16 C17 O7 -0.6(13) . . . . ?
O5 C16 C17 C18 174.9(9) . . . . ?
O7 C17 C18 C19 179.5(11) . . . . ?
O9 C35 C36 C37 -163.7(16) . . . . ?
O9 C35 C36 C41 19(2) . . . . ?
O9 C35 C41A C37A -131(4) . . . . ?
O9 C35 C41A C36A 48(4) . . . . ?
O10 C33 C34 C35 2(2) . . . . ?
N1 C8 C9 C10 -178.0(9) . . . . ?
N1 C8 C13 O3 -3.1(11) . . . . ?
N1 C8 C13 C12 177.4(7) . . . . ?
N2 C22 C23 C24 -178.8(7) . . . . ?
N2 C22 C27 O6 -0.9(9) . . . . ?
N2 C22 C27 C26 178.4(6) . . . . ?
C1 C2 C3 O4 179.3(7) . . . . ?
C1 C2 C3 C4 -0.5(12) . . . . ?
C2 C1 C6 C5 -0.9(13) . . . . ?
C2 C1 C7 N1 10.0(13) . . . . ?
C2 C3 C4 C5 -1.1(15) . . . . ?
C3 C4 C5 C6 1.8(17) . . . . ?
C4 C5 C6 C1 -0.7(16) . . . . ?
C6 C1 C2 O2 -177.8(7) . . . . ?
C6 C1 C2 C3 1.5(11) . . . . ?
C6 C1 C7 N1 -167.3(8) . . . . ?
C7 N1 C8 C9 18.7(12) . . . . ?
C7 N1 C8 C13 -160.9(7) . . . . ?
C7 C1 C2 O2 5.0(12) . . . . ?
C7 C1 C2 C3 -175.7(7) . . . . ?
C7 C1 C6 C5 176.5(9) . . . . ?
C8 N1 C7 C1 175.5(7) . . . . ?
C8 C9 C10 C11 0.2(18) . . . . ?
C9 C8 C13 O3 177.2(8) . . . . ?
C9 C8 C13 C12 -2.3(13) . . . . ?
C9 C10 C11 C12 -1.5(18) . . . . ?
C10 C11 C12 C13 0.9(16) . . . . ?
C11 C12 C13 O3 -178.4(9) . . . . ?
C11 C12 C13 C8 1.0(14) . . . . ?
C13 C8 C9 C10 1.7(15) . . . . ?
C14 O4 C3 C2 -163.0(7) . . . . ?
C14 O4 C3 C4 16.8(12) . . . . ?
C15 C16 C17 O7 -179.8(9) . . . . ?
C15 C16 C17 C18 -4.4(14) . . . . ?
C16 C15 C20 C19 0.4(13) . . . . ?
C16 C15 C21 N2 -17.5(13) . . . . ?
C16 C17 C18 C19 4.5(16) . . . . ?
C17 C18 C19 C20 -2.2(17) . . . . ?
C18 C19 C20 C15 -0.4(15) . . . . ?
C20 C15 C16 O5 -177.2(8) . . . . ?
C20 C15 C16 C17 1.9(13) . . . . ?
C20 C15 C21 N2 163.5(8) . . . . ?
C21 N2 C22 C23 28.2(11) . . . . ?
C21 N2 C22 C27 -153.8(7) . . . . ?
C21 C15 C16 O5 3.8(14) . . . . ?
C21 C15 C16 C17 -177.1(8) . . . . ?
C21 C15 C20 C19 179.5(8) . . . . ?
C22 N2 C21 C15 176.3(7) . . . . ?
C22 C23 C24 C25 -1.2(12) . . . . ?
C23 C22 C27 O6 177.3(6) . . . . ?
C23 C22 C27 C26 -3.4(10) . . . . ?
C23 C24 C25 C26 -0.6(12) . . . . ?
C24 C25 C26 C27 0.3(12) . . . . ?
C25 C26 C27 O6 -179.1(6) . . . . ?
C25 C26 C27 C22 1.7(10) . . . . ?
C27 C22 C23 C24 3.3(11) . . . . ?
C28 O7 C17 C16 173.1(11) . . . . ?
C28 O7 C17 C18 -2.0(18) . . . . ?
C30 N3 C29 O8 -10(2) . . . . ?
C31 N3 C29 O8 178.3(15) . . . . ?
C32 C33 C34 C35 -173.8(15) . . . . ?
C33 C34 C35 O9 1(3) . . . . ?
C33 C34 C35 C36 173.6(19) . . . . ?
C33 C34 C35 C41A -160.9(16) . . . . ?
C34 C35 C36 C37 23(3) . . . . ?
C34 C35 C36 C41 -155(2) . . . . ?
C34 C35 C41A C37A 26(3) . . . . ?
C34 C35 C41A C36A -155.2(14) . . . . ?
C35 C36 C37 C38 -177(2) . . . . ?
C35 C36 C41 C40 177(2) . . . . ?
C35 C41A C36A C40A -179.2(19) . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C37 C36 C41 C40 0.0 . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C36 0.0 . . . . ?
C41 C36 C37 C38 0.0 . . . . ?
C40A C39A C38A C37A 0.0 . . . . ?
C39A C40A C36A C41A 0.0 . . . . ?
C39A C38A C37A C41A 0.0 . . . . ?
C38A C37A C41A C35 179(3) . . . . ?
C38A C37A C41A C36A 0.0 . . . . ?
C37A C41A C36A C40A 0.0 . . . . ?
C36A C40A C39A C38A 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1885144'
_audit_update_record             
;
2019-04-02 deposited with the CCDC.	2019-04-04 downloaded from the CCDC.
;
_audit_creation_date             2019-03-30
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.03.18 svn.r3573 for OlexSys, GUI svn.r5716)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C76 H70 Dy4 N6 O20, C3 H7 N O'
_chemical_formula_sum            'C79 H77 Dy4 N7 O21'
_chemical_formula_weight         2110.47
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.120(8)
_cell_length_b                   25.340(17)
_cell_length_c                   12.262(8)
_cell_angle_alpha                90
_cell_angle_beta                 100.908(11)
_cell_angle_gamma                90
_cell_volume                     4003(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2219
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      22
_cell_measurement_theta_min      2
_shelx_estimated_absorpt_T_max   0.505
_shelx_estimated_absorpt_T_min   0.379
_exptl_absorpt_coefficient_mu    3.766
_exptl_absorpt_correction_T_max  0.8517
_exptl_absorpt_correction_T_min  0.6492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19090
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         1.581
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5295
_reflns_number_total             6989
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.668
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.188
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         6989
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0581
_refine_ls_restrained_S_all      1.122
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0675P)²+39.0179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1624
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N3-C30 \\sim N3-C31
 with sigma of 0.01
 C34-C35 \\sim C35-C34A
 with sigma of 0.02
 C34A-C33 \\sim C33-C34
 with sigma of 0.02
3. Restrained planarity
 C32, C33, C34, C35, C36
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C34) \\sim Ueq, Uanis(C34A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C28) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C30) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C33, C34, C35, C34A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N3, C30, C31, C29, O8
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C39, N4, C41, C40, O11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: H33(0.5) H33A(0.5) C34(0.5) H34(0.5) H35(0.5) H35A(0.5) C34A(0.5)
 H34A(0.5) N4(0.5) O11(0.5) C41(0.5) H41(0.5) C39(0.5) H39A(0.5) H39B(0.5)
 H39C(0.5) C40(0.5) H40A(0.5) H40B(0.5) H40C(0.5)
7.a Me refined with riding coordinates:
 C14(H14A,H14B,H14C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,
 H31C), C38(H38A,H38B,H38C)
7.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26),
  C29(H29), C33(H33), C33(H33A), C34(H34), C35(H35), C35(H35A), C34A(H34A),
 C41(H41)
7.c Fitted pentagon refined as free rotating group:
 C32(C33,C34,C35,C36)
7.d Idealised Me refined as rotating group:
 C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.40851(4) 0.52699(2) 0.37009(4) 0.03582(17) Uani 1 1 d . . . . .
Dy2 Dy 0.52832(4) 0.61753(2) 0.56164(4) 0.03709(17) Uani 1 1 d . . . . .
N1 N 0.2332(7) 0.5331(4) 0.4223(7) 0.042(2) Uani 1 1 d . . . . .
N2 N 0.6716(7) 0.6561(4) 0.4904(7) 0.045(2) Uani 1 1 d . . . . .
N3 N 0.3268(14) 0.6517(6) 0.8165(13) 0.107(5) Uani 1 1 d D U . . .
O1 O 0.5419(5) 0.4672(2) 0.4348(5) 0.0321(15) Uani 1 1 d . . . . .
O2 O 0.3418(5) 0.4431(3) 0.3702(6) 0.0365(16) Uani 1 1 d . . . . .
O3 O 0.3715(5) 0.6115(3) 0.4339(6) 0.0377(17) Uani 1 1 d . . . . .
O4 O 0.3345(7) 0.3568(3) 0.2636(7) 0.055(2) Uani 1 1 d . . . . .
O5 O 0.5066(7) 0.7023(3) 0.5642(8) 0.063(2) Uani 1 1 d . . . . .
O6 O 0.5533(5) 0.5807(3) 0.3949(5) 0.0354(16) Uani 1 1 d . . . . .
O7 O 0.4287(11) 0.7812(4) 0.6554(11) 0.102(4) Uani 1 1 d . . . . .
O8 O 0.4304(8) 0.6210(4) 0.7034(7) 0.065(2) Uani 1 1 d . U . . .
O9 O 0.2905(7) 0.5528(4) 0.2156(7) 0.058(2) Uani 1 1 d . . . . .
O10 O 0.4595(8) 0.4968(4) 0.2083(7) 0.068(3) Uani 1 1 d . . . . .
C1 C 0.1599(9) 0.4534(5) 0.3283(9) 0.049(3) Uani 1 1 d . . . . .
C2 C 0.2503(8) 0.4271(4) 0.3216(8) 0.040(3) Uani 1 1 d . . . . .
C3 C 0.2440(10) 0.3796(5) 0.2626(9) 0.047(3) Uani 1 1 d . . . . .
C4 C 0.1496(12) 0.3607(6) 0.2087(11) 0.065(4) Uani 1 1 d . . . . .
H4 H 0.146082 0.330080 0.166410 0.078 Uiso 1 1 calc R . . . .
C5 C 0.0588(12) 0.3880(6) 0.2180(14) 0.080(5) Uani 1 1 d . . . . .
H5 H -0.005303 0.374794 0.183349 0.096 Uiso 1 1 calc R . . . .
C6 C 0.0631(10) 0.4330(6) 0.2762(11) 0.063(4) Uani 1 1 d . . . . .
H6 H 0.002268 0.450633 0.282261 0.076 Uiso 1 1 calc R . . . .
C7 C 0.1569(9) 0.5038(5) 0.3847(9) 0.047(3) Uani 1 1 d . . . . .
H7 H 0.091961 0.515528 0.394052 0.057 Uiso 1 1 calc R . . . .
C8 C 0.2147(9) 0.5814(5) 0.4707(9) 0.044(3) Uani 1 1 d . . . . .
C9 C 0.1281(10) 0.5909(6) 0.5192(12) 0.063(4) Uani 1 1 d . . . . .
H9 H 0.083072 0.563373 0.527011 0.076 Uiso 1 1 calc R . . . .
C10 C 0.1095(11) 0.6398(7) 0.5547(12) 0.069(4) Uani 1 1 d . . . . .
H10 H 0.050330 0.646478 0.583937 0.083 Uiso 1 1 calc R . . . .
C11 C 0.1778(12) 0.6786(6) 0.5472(14) 0.077(4) Uani 1 1 d . . . . .
H11 H 0.166023 0.712136 0.573175 0.092 Uiso 1 1 calc R . . . .
C12 C 0.2640(10) 0.6700(5) 0.5023(11) 0.055(3) Uani 1 1 d . . . . .
H12 H 0.308390 0.697866 0.495387 0.067 Uiso 1 1 calc R . . . .
C13 C 0.2853(8) 0.6212(4) 0.4679(9) 0.038(2) Uani 1 1 d . . . . .
C14 C 0.3407(12) 0.3156(6) 0.1850(12) 0.078(5) Uani 1 1 d . . . . .
H14A H 0.410653 0.302765 0.195290 0.116 Uiso 1 1 calc R . . . .
H14B H 0.295103 0.287292 0.196061 0.116 Uiso 1 1 calc R . . . .
H14C H 0.320364 0.329234 0.111024 0.116 Uiso 1 1 calc R . . . .
C15 C 0.6633(12) 0.7444(5) 0.5625(10) 0.056(3) Uani 1 1 d . . . . .
C16 C 0.5677(11) 0.7419(5) 0.5853(11) 0.053(3) Uani 1 1 d . . . . .
C17 C 0.5274(16) 0.7875(5) 0.6357(12) 0.078(5) Uani 1 1 d . . . . .
C18 C 0.5930(19) 0.8294(6) 0.6648(15) 0.095(6) Uani 1 1 d . . . . .
H18 H 0.570257 0.858002 0.701188 0.114 Uiso 1 1 calc R . . . .
C19 C 0.6887(17) 0.8301(6) 0.6422(13) 0.083(5) Uani 1 1 d . . . . .
H19 H 0.731513 0.859071 0.663342 0.099 Uiso 1 1 calc R . . . .
C20 C 0.7231(13) 0.7902(6) 0.5904(12) 0.072(4) Uani 1 1 d . . . . .
H20 H 0.788485 0.792464 0.571785 0.087 Uiso 1 1 calc R . . . .
C21 C 0.7072(10) 0.7033(5) 0.5050(10) 0.055(3) Uani 1 1 d . . . . .
H21 H 0.765917 0.711583 0.476143 0.066 Uiso 1 1 calc R . . . .
C22 C 0.7178(8) 0.6193(4) 0.4308(9) 0.041(3) Uani 1 1 d . . . . .
C23 C 0.8184(10) 0.6183(6) 0.4219(11) 0.057(3) Uani 1 1 d . . . . .
H23 H 0.862480 0.644643 0.456183 0.069 Uiso 1 1 calc R . . . .
C24 C 0.8568(11) 0.5803(6) 0.3648(12) 0.067(4) Uani 1 1 d . . . . .
H24 H 0.927097 0.579710 0.361725 0.080 Uiso 1 1 calc R . . . .
C25 C 0.7915(10) 0.5425(6) 0.3114(10) 0.056(3) Uani 1 1 d . . . . .
H25 H 0.817240 0.516391 0.270580 0.067 Uiso 1 1 calc R . . . .
C26 C 0.6895(9) 0.5428(5) 0.3177(9) 0.045(3) Uani 1 1 d . . . . .
H26 H 0.645284 0.517461 0.279517 0.054 Uiso 1 1 calc R . . . .
C27 C 0.6512(8) 0.5800(4) 0.3796(8) 0.039(2) Uani 1 1 d . . . . .
C28 C 0.388(2) 0.8239(10) 0.709(2) 0.146(9) Uani 1 1 d . U . . .
H28A H 0.319065 0.815436 0.719102 0.219 Uiso 1 1 calc R . . . .
H28B H 0.431508 0.829884 0.780557 0.219 Uiso 1 1 calc R . . . .
H28C H 0.386366 0.855119 0.664761 0.219 Uiso 1 1 calc R . . . .
C29 C 0.3907(14) 0.6550(8) 0.7489(14) 0.089(5) Uani 1 1 d . U . . .
H29 H 0.408791 0.689201 0.732906 0.107 Uiso 1 1 calc R . . . .
C30 C 0.282(2) 0.6037(11) 0.834(3) 0.171(10) Uani 1 1 d D U . . .
H30A H 0.236472 0.608414 0.886745 0.256 Uiso 1 1 calc R . . . .
H30B H 0.242152 0.590902 0.765424 0.256 Uiso 1 1 calc R . . . .
H30C H 0.334815 0.578689 0.863114 0.256 Uiso 1 1 calc R . . . .
C31 C 0.294(2) 0.6960(10) 0.867(2) 0.164(10) Uani 1 1 d D U . . .
H31A H 0.247005 0.685563 0.913734 0.246 Uiso 1 1 calc R . . . .
H31B H 0.353053 0.713355 0.910060 0.246 Uiso 1 1 calc R . . . .
H31C H 0.259515 0.719648 0.810388 0.246 Uiso 1 1 calc R . . . .
C32 C 0.2548(10) 0.5265(5) 0.1277(9) 0.084(5) Uani 1 1 d . . . . .
C33 C 0.1534(9) 0.5309(7) 0.0629(12) 0.114(7) Uani 1 1 d DG U . . .
H33 H 0.102190 0.554303 0.075414 0.137 Uiso 0.5 1 calc R . P A 1
H33A H 0.108086 0.559300 0.060502 0.137 Uiso 0.5 1 calc R . P B 2
C34 C 0.1437(10) 0.4933(8) -0.0244(14) 0.108(10) Uani 0.5 1 d DG U P C 1
H34 H 0.085120 0.487811 -0.079059 0.130 Uiso 0.5 1 calc R . P C 1
C35 C 0.2392(12) 0.4657(7) -0.0135(12) 0.141(10) Uani 1 1 d DG U . . .
H35 H 0.254190 0.438865 -0.059850 0.169 Uiso 0.5 1 calc R . P C 1
H35A H 0.256829 0.446407 -0.071813 0.169 Uiso 0.5 1 calc R . P C 2
C36 C 0.3079(8) 0.4862(6) 0.0804(10) 0.088(5) Uani 1 1 d G . . . .
C37 C 0.4135(11) 0.4761(6) 0.1206(13) 0.068(4) Uani 1 1 d . . . . .
C38 C 0.4647(14) 0.4401(9) 0.0545(14) 0.104(6) Uani 1 1 d . . . . .
H38A H 0.415729 0.428731 -0.009516 0.155 Uiso 1 1 calc R . . . .
H38B H 0.521309 0.458074 0.030914 0.155 Uiso 1 1 calc R . . . .
H38C H 0.490744 0.410047 0.098635 0.155 Uiso 1 1 calc R . . . .
C34A C 0.1348(18) 0.4812(14) 0.000(4) 0.127(10) Uani 0.5 1 d D U P C 2
H34A H 0.072197 0.463917 -0.024288 0.152 Uiso 0.5 1 calc R . P C 2
N4 N 0.0292(18) 0.6993(11) 0.1710(19) 0.067(6) Uani 0.5 1 d . U P . .
O11 O -0.031(2) 0.7232(13) 0.001(2) 0.124(10) Uani 0.5 1 d . U P . .
C41 C 0.013(3) 0.703(2) 0.072(3) 0.119(11) Uani 0.5 1 d . U P . .
H41 H 0.054177 0.677879 0.045656 0.143 Uiso 0.5 1 calc R . P . .
C39 C 0.008(3) 0.7308(19) 0.238(4) 0.120(13) Uani 0.5 1 d . U P . .
H39A H 0.069372 0.748582 0.274076 0.180 Uiso 0.5 1 calc GR . P . .
H39B H -0.022889 0.712461 0.292500 0.180 Uiso 0.5 1 calc GR . P . .
H39C H -0.041061 0.756156 0.200356 0.180 Uiso 0.5 1 calc GR . P . .
C40 C 0.068(4) 0.657(2) 0.209(5) 0.144(17) Uani 0.5 1 d . U P . .
H40A H 0.045438 0.629401 0.157645 0.216 Uiso 0.5 1 calc GR . P . .
H40B H 0.046158 0.650100 0.278266 0.216 Uiso 0.5 1 calc GR . P . .
H40C H 0.142160 0.660090 0.221906 0.216 Uiso 0.5 1 calc GR . P . .


_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 Dy1 3.8588(19) 3_666 ?
Dy1 Dy2 3.813(2) 3_666 ?
Dy1 Dy2 3.4429(15) . ?
Dy1 N1 2.506(10) . ?
Dy1 O1 2.362(7) 3_666 ?
Dy1 O1 2.337(7) . ?
Dy1 O2 2.299(7) . ?
Dy1 O3 2.361(7) . ?
Dy1 O6 2.309(7) . ?
Dy1 O9 2.303(8) . ?
Dy1 O10 2.339(9) . ?
Dy2 N2 2.424(10) . ?
Dy2 O1 2.340(6) 3_666 ?
Dy2 O2 2.329(7) 3_666 ?
Dy2 O3 2.343(7) . ?
Dy2 O4 2.607(8) 3_666 ?
Dy2 O5 2.168(8) . ?
Dy2 O6 2.327(7) . ?
Dy2 O8 2.350(9) . ?
N1 C7 1.263(14) . ?
N1 C8 1.401(15) . ?
N2 C21 1.285(14) . ?
N2 C22 1.394(15) . ?
N3 C29 1.29(2) . ?
N3 C30 1.387(19) . ?
N3 C31 1.386(18) . ?
O2 C2 1.300(12) . ?
O3 C13 1.301(12) . ?
O4 C3 1.318(15) . ?
O4 C14 1.433(15) . ?
O5 C16 1.280(14) . ?
O6 C27 1.333(13) . ?
O7 C17 1.37(2) . ?
O7 C28 1.42(2) . ?
O8 C29 1.198(18) . ?
O9 C32 1.279(12) . ?
O10 C37 1.245(17) . ?
C1 C2 1.376(17) . ?
C1 C6 1.408(17) . ?
C1 C7 1.455(18) . ?
C2 C3 1.399(16) . ?
C3 C4 1.374(17) . ?
C4 H4 0.9300 . ?
C4 C5 1.40(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.34(2) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.400(17) . ?
C8 C13 1.374(16) . ?
C9 H9 0.9300 . ?
C9 C10 1.35(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.35(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.37(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.353(16) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.337(19) . ?
C15 C20 1.407(17) . ?
C15 C21 1.437(19) . ?
C16 C17 1.45(2) . ?
C17 C18 1.37(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.34(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.32(2) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.344(17) . ?
C22 C27 1.394(15) . ?
C23 H23 0.9300 . ?
C23 C24 1.34(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.37(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.355(17) . ?
C26 H26 0.9300 . ?
C26 C27 1.365(16) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.4200 . ?
C32 C36 1.4200 . ?
C33 H33 0.9300 . ?
C33 H33A 0.9300 . ?
C33 C34 1.4200 . ?
C33 C34A 1.470(19) . ?
C34 H34 0.9300 . ?
C34 C35 1.4200 . ?
C35 H35 0.9300 . ?
C35 H35A 0.9300 . ?
C35 C36 1.4200 . ?
C35 C34A 1.466(19) . ?
C36 C37 1.403(17) . ?
C37 C38 1.47(2) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C34A H34A 0.9300 . ?
N4 C41 1.19(4) . ?
N4 C39 1.22(4) . ?
N4 C40 1.23(5) . ?
O11 C41 1.08(5) . ?
C41 H41 0.9300 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?

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
Dy2 Dy1 Dy1 62.65(4) . 3_666 ?
Dy2 Dy1 Dy1 53.329(14) 3_666 3_666 ?
Dy2 Dy1 Dy2 115.98(4) . 3_666 ?
N1 Dy1 Dy1 105.60(19) . 3_666 ?
N1 Dy1 Dy2 96.1(2) . . ?
N1 Dy1 Dy2 100.1(2) . 3_666 ?
O1 Dy1 Dy1 34.59(16) 3_666 3_666 ?
O1 Dy1 Dy1 35.00(16) . 3_666 ?
O1 Dy1 Dy2 42.68(15) 3_666 . ?
O1 Dy1 Dy2 80.25(16) 3_666 3_666 ?
O1 Dy1 Dy2 35.42(16) . 3_666 ?
O1 Dy1 Dy2 89.10(16) . . ?
O1 Dy1 N1 128.2(3) . . ?
O1 Dy1 N1 80.1(3) 3_666 . ?
O1 Dy1 O1 69.6(3) . 3_666 ?
O1 Dy1 O3 131.5(2) . . ?
O1 Dy1 O10 76.1(3) . . ?
O2 Dy1 Dy1 81.33(16) . 3_666 ?
O2 Dy1 Dy2 34.79(17) . 3_666 ?
O2 Dy1 Dy2 137.78(17) . . ?
O2 Dy1 N1 71.9(3) . . ?
O2 Dy1 O1 70.2(2) . . ?
O2 Dy1 O1 95.1(2) . 3_666 ?
O2 Dy1 O3 137.4(3) . . ?
O2 Dy1 O6 148.0(2) . . ?
O2 Dy1 O9 93.8(3) . . ?
O2 Dy1 O10 82.4(3) . . ?
O3 Dy1 Dy1 100.51(17) . 3_666 ?
O3 Dy1 Dy2 42.74(17) . . ?
O3 Dy1 Dy2 147.98(17) . 3_666 ?
O3 Dy1 N1 66.6(3) . . ?
O3 Dy1 O1 69.0(2) . 3_666 ?
O6 Dy1 Dy1 74.48(17) . 3_666 ?
O6 Dy1 Dy2 42.24(17) . . ?
O6 Dy1 Dy2 113.43(17) . 3_666 ?
O6 Dy1 N1 134.6(3) . . ?
O6 Dy1 O1 78.0(2) . . ?
O6 Dy1 O1 76.6(2) . 3_666 ?
O6 Dy1 O3 68.8(2) . . ?
O6 Dy1 O10 86.8(3) . . ?
O9 Dy1 Dy1 175.0(2) . 3_666 ?
O9 Dy1 Dy2 122.5(2) . 3_666 ?
O9 Dy1 Dy2 121.4(2) . . ?
O9 Dy1 N1 71.7(3) . . ?
O9 Dy1 O1 146.0(3) . 3_666 ?
O9 Dy1 O1 143.8(3) . . ?
O9 Dy1 O3 82.4(3) . . ?
O9 Dy1 O6 110.5(3) . . ?
O9 Dy1 O10 69.5(3) . . ?
O10 Dy1 Dy1 110.6(2) . 3_666 ?
O10 Dy1 Dy2 77.7(3) . 3_666 ?
O10 Dy1 Dy2 129.0(2) . . ?
O10 Dy1 N1 131.3(3) . . ?
O10 Dy1 O1 144.2(3) . 3_666 ?
O10 Dy1 O3 133.4(3) . . ?
Dy1 Dy2 Dy1 64.02(4) . 3_666 ?
N2 Dy2 Dy1 108.4(2) . 3_666 ?
N2 Dy2 Dy1 108.0(2) . . ?
N2 Dy2 O4 74.5(3) . 3_666 ?
O1 Dy2 Dy1 43.17(16) 3_666 . ?
O1 Dy2 Dy1 35.37(16) 3_666 3_666 ?
O1 Dy2 N2 135.4(3) 3_666 . ?
O1 Dy2 O3 69.7(2) 3_666 . ?
O1 Dy2 O4 115.3(3) 3_666 3_666 ?
O1 Dy2 O8 75.4(3) 3_666 . ?
O2 Dy2 Dy1 34.27(16) 3_666 3_666 ?
O2 Dy2 Dy1 90.79(16) 3_666 . ?
O2 Dy2 N2 80.3(3) 3_666 . ?
O2 Dy2 O1 69.6(2) 3_666 3_666 ?
O2 Dy2 O3 133.4(2) 3_666 . ?
O2 Dy2 O4 61.6(3) 3_666 3_666 ?
O2 Dy2 O8 103.0(3) 3_666 . ?
O3 Dy2 Dy1 43.14(17) . . ?
O3 Dy2 Dy1 102.16(17) . 3_666 ?
O3 Dy2 N2 115.4(3) . . ?
O3 Dy2 O4 161.5(3) . 3_666 ?
O3 Dy2 O8 87.9(3) . . ?
O4 Dy2 Dy1 88.4(2) 3_666 3_666 ?
O4 Dy2 Dy1 151.9(2) 3_666 . ?
O5 Dy2 Dy1 128.7(3) . . ?
O5 Dy2 Dy1 166.5(3) . 3_666 ?
O5 Dy2 N2 73.6(3) . . ?
O5 Dy2 O1 148.8(3) . 3_666 ?
O5 Dy2 O2 137.5(3) . 3_666 ?
O5 Dy2 O3 88.5(3) . . ?
O5 Dy2 O4 79.2(3) . 3_666 ?
O5 Dy2 O6 116.8(3) . . ?
O5 Dy2 O8 82.0(3) . . ?
O6 Dy2 Dy1 75.31(17) . 3_666 ?
O6 Dy2 Dy1 41.84(17) . . ?
O6 Dy2 N2 66.3(3) . . ?
O6 Dy2 O1 76.7(2) . 3_666 ?
O6 Dy2 O2 80.5(2) . 3_666 ?
O6 Dy2 O3 68.8(2) . . ?
O6 Dy2 O4 129.2(3) . 3_666 ?
O6 Dy2 O8 148.5(3) . . ?
O8 Dy2 Dy1 90.0(2) . 3_666 ?
O8 Dy2 Dy1 106.7(2) . . ?
O8 Dy2 N2 145.2(3) . . ?
O8 Dy2 O4 76.8(3) . 3_666 ?
C7 N1 Dy1 125.0(8) . . ?
C7 N1 C8 118.7(10) . . ?
C8 N1 Dy1 113.8(7) . . ?
C21 N2 Dy2 127.8(9) . . ?
C21 N2 C22 120.9(11) . . ?
C22 N2 Dy2 111.3(7) . . ?
C29 N3 C30 120.5(18) . . ?
C29 N3 C31 122(2) . . ?
C31 N3 C30 118(2) . . ?
Dy1 O1 Dy1 110.4(3) . 3_666 ?
Dy1 O1 Dy2 109.2(3) . 3_666 ?
Dy2 O1 Dy1 94.2(2) 3_666 3_666 ?
Dy1 O2 Dy2 110.9(3) . 3_666 ?
C2 O2 Dy1 127.4(6) . . ?
C2 O2 Dy2 120.5(7) . 3_666 ?
Dy2 O3 Dy1 94.1(2) . . ?
C13 O3 Dy1 121.6(6) . . ?
C13 O3 Dy2 118.7(6) . . ?
C3 O4 Dy2 112.3(6) . 3_666 ?
C3 O4 C14 118.6(10) . . ?
C14 O4 Dy2 128.1(8) . 3_666 ?
C16 O5 Dy2 134.5(9) . . ?
Dy1 O6 Dy2 95.9(3) . . ?
C27 O6 Dy1 139.9(7) . . ?
C27 O6 Dy2 115.4(6) . . ?
C17 O7 C28 116.3(15) . . ?
C29 O8 Dy2 136.0(12) . . ?
C32 O9 Dy1 128.9(8) . . ?
C37 O10 Dy1 134.5(9) . . ?
C2 C1 C6 120.6(12) . . ?
C2 C1 C7 123.6(10) . . ?
C6 C1 C7 115.8(12) . . ?
O2 C2 C1 123.6(10) . . ?
O2 C2 C3 117.7(11) . . ?
C1 C2 C3 118.7(10) . . ?
O4 C3 C2 114.0(10) . . ?
O4 C3 C4 125.4(12) . . ?
C4 C3 C2 120.6(13) . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(13) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.8(13) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 H6 120.1 . . ?
C5 C6 C1 119.9(14) . . ?
C5 C6 H6 120.1 . . ?
N1 C7 C1 126.8(12) . . ?
N1 C7 H7 116.6 . . ?
C1 C7 H7 116.6 . . ?
C9 C8 N1 123.4(11) . . ?
C13 C8 N1 117.3(10) . . ?
C13 C8 C9 119.4(11) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.3(13) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.5 . . ?
C11 C10 C9 119.1(13) . . ?
C11 C10 H10 120.5 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.5(14) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(13) . . ?
C13 C12 H12 119.7 . . ?
O3 C13 C8 120.0(10) . . ?
O3 C13 C12 121.2(11) . . ?
C12 C13 C8 118.8(11) . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.3(14) . . ?
C16 C15 C21 123.2(11) . . ?
C20 C15 C21 117.4(14) . . ?
O5 C16 C15 124.8(12) . . ?
O5 C16 C17 116.3(14) . . ?
C15 C16 C17 118.9(13) . . ?
O7 C17 C16 114.5(12) . . ?
O7 C17 C18 127.7(16) . . ?
C18 C17 C16 117.6(19) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 C17 121.7(18) . . ?
C19 C18 H18 119.1 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(16) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 H20 119.2 . . ?
C19 C20 C15 121.6(17) . . ?
C19 C20 H20 119.2 . . ?
N2 C21 C15 125.0(13) . . ?
N2 C21 H21 117.5 . . ?
C15 C21 H21 117.5 . . ?
C23 C22 N2 125.9(11) . . ?
C23 C22 C27 119.5(12) . . ?
C27 C22 N2 114.6(10) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 C22 121.7(13) . . ?
C24 C23 H23 119.1 . . ?
C23 C24 H24 120.4 . . ?
C23 C24 C25 119.3(13) . . ?
C25 C24 H24 120.4 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.3(12) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.5(12) . . ?
C27 C26 H26 119.7 . . ?
O6 C27 C22 117.8(10) . . ?
O6 C27 C26 123.6(10) . . ?
C26 C27 C22 118.6(11) . . ?
O7 C28 H28A 109.5 . . ?
O7 C28 H28B 109.5 . . ?
O7 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 H29 114.8 . . ?
O8 C29 N3 130(2) . . ?
O8 C29 H29 114.8 . . ?
N3 C30 H30A 109.5 . . ?
N3 C30 H30B 109.5 . . ?
N3 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 H31A 109.5 . . ?
N3 C31 H31B 109.5 . . ?
N3 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O9 C32 C33 125.8(10) . . ?
O9 C32 C36 126.1(10) . . ?
C33 C32 C36 108.0 . . ?
C32 C33 H33 126.0 . . ?
C32 C33 H33A 127.2 . . ?
C32 C33 C34 108.0 . . ?
C32 C33 C34A 105.6(14) . . ?
C34 C33 H33 126.0 . . ?
C34A C33 H33A 127.2 . . ?
C33 C34 H34 126.0 . . ?
C33 C34 C35 108.0 . . ?
C35 C34 H34 126.0 . . ?
C34 C35 H35 126.0 . . ?
C36 C35 C34 108.0 . . ?
C36 C35 H35 126.0 . . ?
C36 C35 H35A 127.1 . . ?
C36 C35 C34A 105.7(14) . . ?
C34A C35 H35A 127.1 . . ?
C35 C36 C32 108.0 . . ?
C37 C36 C32 121.0(11) . . ?
C37 C36 C35 130.6(11) . . ?
O10 C37 C36 120.8(14) . . ?
O10 C37 C38 122.9(14) . . ?
C36 C37 C38 116.4(14) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C33 C34A H34A 128.5 . . ?
C35 C34A C33 103.0(13) . . ?
C35 C34A H34A 128.5 . . ?
C41 N4 C39 128(5) . . ?
C41 N4 C40 116(5) . . ?
C39 N4 C40 116(4) . . ?
N4 C41 H41 107.4 . . ?
O11 C41 N4 145(6) . . ?
O11 C41 H41 107.4 . . ?
N4 C39 H39A 109.5 . . ?
N4 C39 H39B 109.5 . . ?
N4 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N4 C40 H40A 109.5 . . ?
N4 C40 H40B 109.5 . . ?
N4 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

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
Dy1 N1 C7 C1 16.9(16) . . . . ?
Dy1 N1 C8 C9 -171.4(9) . . . . ?
Dy1 N1 C8 C13 9.8(11) . . . . ?
Dy1 O2 C2 C1 -47.1(14) . . . . ?
Dy1 O2 C2 C3 135.2(8) . . . . ?
Dy1 O3 C13 C8 2.2(12) . . . . ?
Dy1 O3 C13 C12 -178.7(8) . . . . ?
Dy1 O6 C27 C22 -166.2(7) . . . . ?
Dy1 O6 C27 C26 13.1(16) . . . . ?
Dy1 O9 C32 C33 146.9(11) . . . . ?
Dy1 O9 C32 C36 -30.2(19) . . . . ?
Dy1 O10 C37 C36 28(2) . . . . ?
Dy1 O10 C37 C38 -151.7(14) . . . . ?
Dy2 N2 C21 C15 -4.2(16) . . . . ?
Dy2 N2 C22 C23 -149.3(10) . . . . ?
Dy2 N2 C22 C27 29.0(11) . . . . ?
Dy2 O2 C2 C1 146.3(9) 3_666 . . . ?
Dy2 O2 C2 C3 -31.4(12) 3_666 . . . ?
Dy2 O3 C13 C8 -113.4(9) . . . . ?
Dy2 O3 C13 C12 65.6(12) . . . . ?
Dy2 O4 C3 C2 26.2(12) 3_666 . . . ?
Dy2 O4 C3 C4 -154.7(11) 3_666 . . . ?
Dy2 O5 C16 C15 34(2) . . . . ?
Dy2 O5 C16 C17 -147.7(10) . . . . ?
Dy2 O6 C27 C22 -28.6(11) . . . . ?
Dy2 O6 C27 C26 150.8(8) . . . . ?
Dy2 O8 C29 N3 169.7(14) . . . . ?
N1 C8 C9 C10 -173.5(12) . . . . ?
N1 C8 C13 O3 -8.4(14) . . . . ?
N1 C8 C13 C12 172.5(10) . . . . ?
N2 C22 C23 C24 178.2(12) . . . . ?
N2 C22 C27 O6 -1.8(14) . . . . ?
N2 C22 C27 C26 178.8(9) . . . . ?
O2 C2 C3 O4 -0.4(15) . . . . ?
O2 C2 C3 C4 -179.5(11) . . . . ?
O4 C3 C4 C5 177.6(13) . . . . ?
O5 C16 C17 O7 1.0(19) . . . . ?
O5 C16 C17 C18 176.5(13) . . . . ?
O7 C17 C18 C19 178.7(17) . . . . ?
O9 C32 C33 C34 -177.5(17) . . . . ?
O9 C32 C33 C34A -159(2) . . . . ?
O9 C32 C36 C35 177.5(17) . . . . ?
O9 C32 C36 C37 -9(2) . . . . ?
C1 C2 C3 O4 -178.2(10) . . . . ?
C1 C2 C3 C4 2.7(17) . . . . ?
C2 C1 C6 C5 -1(2) . . . . ?
C2 C1 C7 N1 9.3(19) . . . . ?
C2 C3 C4 C5 -3(2) . . . . ?
C3 C4 C5 C6 2(2) . . . . ?
C4 C5 C6 C1 0(2) . . . . ?
C6 C1 C2 O2 -178.1(11) . . . . ?
C6 C1 C2 C3 -0.4(17) . . . . ?
C6 C1 C7 N1 -168.6(12) . . . . ?
C7 N1 C8 C9 25.7(16) . . . . ?
C7 N1 C8 C13 -153.1(10) . . . . ?
C7 C1 C2 O2 4.0(17) . . . . ?
C7 C1 C2 C3 -178.3(11) . . . . ?
C7 C1 C6 C5 176.9(14) . . . . ?
C8 N1 C7 C1 177.7(10) . . . . ?
C8 C9 C10 C11 -3(2) . . . . ?
C9 C8 C13 O3 172.7(11) . . . . ?
C9 C8 C13 C12 -6.3(16) . . . . ?
C9 C10 C11 C12 1(2) . . . . ?
C10 C11 C12 C13 -3(2) . . . . ?
C11 C12 C13 O3 -174.0(12) . . . . ?
C11 C12 C13 C8 5.0(18) . . . . ?
C13 C8 C9 C10 5.3(19) . . . . ?
C14 O4 C3 C2 -164.8(12) . . . . ?
C14 O4 C3 C4 14.2(19) . . . . ?
C15 C16 C17 O7 179.8(13) . . . . ?
C15 C16 C17 C18 -5(2) . . . . ?
C16 C15 C20 C19 3(2) . . . . ?
C16 C15 C21 N2 -15.8(19) . . . . ?
C16 C17 C18 C19 4(3) . . . . ?
C17 C18 C19 C20 0(3) . . . . ?
C18 C19 C20 C15 -4(3) . . . . ?
C20 C15 C16 O5 -179.7(12) . . . . ?
C20 C15 C16 C17 1.6(19) . . . . ?
C20 C15 C21 N2 167.6(12) . . . . ?
C21 N2 C22 C23 28.7(17) . . . . ?
C21 N2 C22 C27 -153.0(10) . . . . ?
C21 C15 C16 O5 4(2) . . . . ?
C21 C15 C16 C17 -174.9(12) . . . . ?
C21 C15 C20 C19 179.4(13) . . . . ?
C22 N2 C21 C15 178.3(10) . . . . ?
C22 C23 C24 C25 2(2) . . . . ?
C23 C22 C27 O6 176.6(10) . . . . ?
C23 C22 C27 C26 -2.8(16) . . . . ?
C23 C24 C25 C26 -1(2) . . . . ?
C24 C25 C26 C27 -1.7(18) . . . . ?
C25 C26 C27 O6 -175.7(10) . . . . ?
C25 C26 C27 C22 3.6(16) . . . . ?
C27 C22 C23 C24 -0.1(19) . . . . ?
C28 O7 C17 C16 177.2(17) . . . . ?
C28 O7 C17 C18 2(3) . . . . ?
C30 N3 C29 O8 -10(4) . . . . ?
C31 N3 C29 O8 176(2) . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C32 C33 C34A C35 -30(4) . . . . ?
C32 C36 C37 O10 11(2) . . . . ?
C32 C36 C37 C38 -170.0(15) . . . . ?
C33 C32 C36 C35 0.0 . . . . ?
C33 C32 C36 C37 173.9(17) . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C32 0.0 . . . . ?
C34 C35 C36 C37 -173.2(19) . . . . ?
C35 C36 C37 O10 -177.1(14) . . . . ?
C35 C36 C37 C38 2(2) . . . . ?
C36 C32 C33 C34 0.0 . . . . ?
C36 C32 C33 C34A 19(2) . . . . ?
C36 C35 C34A C33 30(4) . . . . ?
C34A C35 C36 C32 -19(2) . . . . ?
C34A C35 C36 C37 168(3) . . . . ?
C39 N4 C41 O11 -16(9) . . . . ?
C40 N4 C41 O11 160(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
