# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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
_audit_block_doi                 10.5517/ccdc.csd.cc1q14fb
_database_code_depnum_ccdc_archive 'CCDC 1580021'
_audit_update_record             
;
2017-12-06 deposited with the CCDC.
2017-12-26 downloaded from the CCDC.
;
_audit_creation_date             2017-11-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H40 Dy2 F12 N2 O11, C4 H9 O'
_chemical_formula_sum            'C64 H49 Dy2 F12 N2 O12'
_chemical_formula_weight         1591.05
_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'
F F 0.0171 0.0103 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7743(3)
_cell_length_b                   13.7731(4)
_cell_length_c                   21.4829(6)
_cell_angle_alpha                94.837(2)
_cell_angle_beta                 90.373(2)
_cell_angle_gamma                95.881(2)
_cell_volume                     3159.52(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8318
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3565
_cell_measurement_theta_min      2.9099
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.444
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1566
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0631
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.831
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29005
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.831
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.388
_diffrn_reflns_theta_min         2.913
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.831
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    7.00   68.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       14.6223   38.0000  -60.0000 61

#__ type_ start__ end____ width___ exp.time_
  2 omega    1.00   74.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       14.6223   57.0000 -150.0000 73

#__ type_ start__ end____ width___ exp.time_
  3 omega  -33.00   28.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       14.6223  -57.0000   90.0000 61

#__ type_ start__ end____ width___ exp.time_
  4 omega    3.00   80.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       14.6223   57.0000    0.0000 77

#__ type_ start__ end____ width___ exp.time_
  5 omega  -84.00  -21.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.7941  -38.0000    0.0000 63

#__ type_ start__ end____ width___ exp.time_
  6 omega  -19.00    6.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.7941  -99.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
  7 omega   -9.00   20.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.7941  -99.0000 -120.0000 29
;
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_UB_11      0.0293265000
_diffrn_orient_matrix_UB_12      0.0486880000
_diffrn_orient_matrix_UB_13      0.0017478000
_diffrn_orient_matrix_UB_21      -0.0204240000
_diffrn_orient_matrix_UB_22      0.0046137000
_diffrn_orient_matrix_UB_23      -0.0309665000
_diffrn_orient_matrix_UB_31      -0.0557113000
_diffrn_orient_matrix_UB_32      0.0175554000
_diffrn_orient_matrix_UB_33      0.0116705000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_source                   'sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9788
_reflns_number_total             14521
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.914
_refine_diff_density_min         -2.300
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     826
_refine_ls_number_reflns         14521
_refine_ls_number_restraints     234
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0679
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0268P)²+16.5563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1304
_refine_ls_wR_factor_ref         0.1459
_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, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F1' \\sim F2' \\sim F3': within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
F7 \\sim F7' \\sim F8 \\sim F8' \\sim F9 \\sim F9': within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
F10 \\sim F10' \\sim F11 \\sim F11' \\sim F12 \\sim F12': within 2A with sigma
of 0.04 and sigma for terminal atoms of 0.08
Uanis(F1) \\sim Ueq, Uanis(F1') \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F2')
\\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F3') \\sim Ueq, Uanis(F4) \\sim Ueq,
Uanis(F5) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F7') \\sim
Ueq, Uanis(F8) \\sim Ueq, Uanis(F8') \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F9')
\\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F10') \\sim Ueq, Uanis(F11) \\sim Ueq,
Uanis(F11') \\sim Ueq, Uanis(F12) \\sim Ueq, Uanis(F12') \\sim Ueq: with sigma
of 0.05 and sigma for terminal atoms of 0.1
Uanis(F1) = Uanis(F2) = Uanis(F3) = Uanis(F1') = Uanis(F2') = Uanis(F3')
Uanis(F7) = Uanis(F7') = Uanis(F8) = Uanis(F8') = Uanis(F9) = Uanis(F9')
Uanis(F10) = Uanis(F10') = Uanis(F11) = Uanis(F11') = Uanis(F12) = Uanis(F12')
3. Others
 Sof(F1)=Sof(F2)=Sof(F3)=1-FVAR(1)
 Sof(F1')=Sof(F2')=Sof(F3')=FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=1-FVAR(2)
 Sof(F7')=Sof(F8')=Sof(F9')=FVAR(2)
 Sof(F10)=Sof(F11)=Sof(F12)=1-FVAR(3)
 Sof(F10')=Sof(F11')=Sof(F12')=FVAR(3)
4.a Rotating group:
 O11(H11A,H11B)
4.b Secondary CH2 refined with riding coordinates:
 C63(H63A,H63B)
4.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C23(H23), C26(H26), C27(H27),
  C28(H28), C29(H29), C30(H30), C33(H33), C36(H36), C37(H37), C38(H38),
 C39(H39), C40(H40), C43(H43), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50),
  C53(H53), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60), C62(H62)
4.d Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
Dy2 Dy 0.37614(4) 0.17523(3) 0.22256(2) 0.04873(12) Uani 1 1 d . . . . .
Dy1 Dy 0.56018(4) 0.41600(3) 0.27178(2) 0.04946(12) Uani 1 1 d . . . . .
F1 F 0.7792(14) 0.7482(12) 0.4267(8) 0.134(3) Uani 0.630(10) 1 d . U P . .
F1' F 0.865(2) 0.604(2) 0.4206(14) 0.134(3) Uani 0.370(10) 1 d . U P . .
F2 F 0.8016(15) 0.6019(13) 0.4459(7) 0.134(3) Uani 0.630(10) 1 d . U P . .
F2' F 0.845(2) 0.742(2) 0.3787(12) 0.134(3) Uani 0.370(10) 1 d . U P . .
F3 F 0.8923(14) 0.6644(12) 0.3686(7) 0.134(3) Uani 0.630(10) 1 d . U P . .
F3' F 0.746(2) 0.706(2) 0.4565(12) 0.134(3) Uani 0.370(10) 1 d . U P . .
F4 F 0.9014(8) 0.5309(10) 0.0841(5) 0.208(6) Uani 1 1 d . U . . .
F5 F 0.9485(9) 0.5698(9) 0.1776(6) 0.191(5) Uani 1 1 d . U . . .
F6 F 0.9411(8) 0.4278(8) 0.1430(5) 0.174(4) Uani 1 1 d . U . . .
F7 F 0.0379(16) 0.1928(15) 0.3713(11) 0.112(2) Uani 0.526(8) 1 d . U P . .
F7' F 0.0574(13) 0.0246(14) 0.3842(10) 0.112(2) Uani 0.474(8) 1 d . U P . .
F8 F 0.0782(12) 0.0771(14) 0.4290(9) 0.112(2) Uani 0.526(8) 1 d . U P . .
F8' F 0.0090(18) 0.1614(17) 0.3573(12) 0.112(2) Uani 0.474(8) 1 d . U P . .
F9 F 0.0181(12) 0.0419(12) 0.3360(8) 0.112(2) Uani 0.526(8) 1 d . U P . .
F9' F 0.1028(13) 0.1536(14) 0.4421(9) 0.112(2) Uani 0.474(8) 1 d . U P . .
F10 F 0.0923(17) -0.0196(14) 0.0688(8) 0.126(3) Uani 0.516(8) 1 d . U P . .
F10' F 0.1004(15) -0.1643(15) 0.1355(9) 0.126(3) Uani 0.484(8) 1 d . U P . .
F11 F 0.0456(16) -0.0847(14) 0.1533(9) 0.126(3) Uani 0.516(8) 1 d . U P . .
F11' F 0.1634(16) -0.1135(15) 0.0518(9) 0.126(3) Uani 0.484(8) 1 d . U P . .
F12 F 0.1439(15) -0.1655(14) 0.0854(10) 0.126(3) Uani 0.516(8) 1 d . U P . .
F12' F 0.0428(17) -0.0365(15) 0.1119(11) 0.126(3) Uani 0.484(8) 1 d . U P . .
O5 O 0.4507(6) 0.5526(4) 0.2910(3) 0.0680(17) Uani 1 1 d . . . . .
O8 O 0.2216(5) 0.1398(4) 0.2929(3) 0.0597(15) Uani 1 1 d . . . . .
O6 O 0.6860(6) 0.5324(4) 0.3350(3) 0.0667(17) Uani 1 1 d . . . . .
O10 O 0.4888(6) 0.0514(4) 0.1896(3) 0.0746(19) Uani 1 1 d . . . . .
O9 O 0.2440(6) 0.0608(5) 0.1626(3) 0.0713(18) Uani 1 1 d . . . . .
O7 O 0.4702(5) 0.1337(5) 0.3115(3) 0.0675(17) Uani 1 1 d . . . . .
O4 O 0.4852(6) 0.4553(5) 0.1744(3) 0.0699(17) Uani 1 1 d . . . . .
O11 O 0.3353(8) 0.2605(5) 0.1350(3) 0.096(2) Uani 1 1 d . . . . .
H11A H 0.2547 0.2780 0.1336 0.144 Uiso 1 1 d GR . . . .
H11B H 0.3372 0.2218 0.0978 0.144 Uiso 1 1 d GR . . . .
O3 O 0.7333(6) 0.4555(5) 0.2104(3) 0.0669(16) Uani 1 1 d . . . . .
O1 O 0.5669(5) 0.2653(4) 0.2163(2) 0.0495(13) Uani 1 1 d . . . . .
O2 O 0.3631(5) 0.3313(4) 0.2672(3) 0.0520(14) Uani 1 1 d . . . . .
N2 N 0.4871(7) 0.3802(5) 0.3796(3) 0.0555(17) Uani 1 1 d . . . . .
C1 C 0.6756(8) 0.2336(5) 0.1964(4) 0.0479(19) Uani 1 1 d . . . . .
C2 C 0.6876(10) 0.2023(7) 0.1334(4) 0.067(3) Uani 1 1 d . . . . .
H2 H 0.6217 0.2038 0.1055 0.081 Uiso 1 1 calc R . . . .
C3 C 0.7994(11) 0.1688(8) 0.1129(5) 0.085(3) Uani 1 1 d . . . . .
H3 H 0.8089 0.1504 0.0707 0.101 Uiso 1 1 calc R . . . .
C4 C 0.8952(10) 0.1625(8) 0.1540(6) 0.082(3) Uani 1 1 d . . . . .
H4 H 0.9688 0.1392 0.1397 0.099 Uiso 1 1 calc R . . . .
C5 C 0.8827(9) 0.1905(7) 0.2164(5) 0.071(3) Uani 1 1 d . . . . .
H5 H 0.9470 0.1847 0.2444 0.085 Uiso 1 1 calc R . . . .
C6 C 0.7718(8) 0.2282(6) 0.2379(4) 0.055(2) Uani 1 1 d . . . . .
C7 C 0.7644(7) 0.2550(7) 0.3040(5) 0.062(2) Uani 1 1 d . . . . .
H7 H 0.8158 0.2258 0.3302 0.074 Uiso 1 1 calc R . . . .
C8 C 0.6929(8) 0.3356(6) 0.3960(4) 0.056(2) Uani 1 1 d . . . . .
C9 C 0.7929(9) 0.3253(7) 0.4356(5) 0.074(3) Uani 1 1 d . . . . .
H9 H 0.8656 0.3038 0.4187 0.089 Uiso 1 1 calc R . . . .
C10 C 0.7866(11) 0.3458(8) 0.4982(5) 0.081(3) Uani 1 1 d . . . . .
H10 H 0.8550 0.3404 0.5238 0.098 Uiso 1 1 calc R . . . .
C11 C 0.6778(11) 0.3746(8) 0.5235(5) 0.082(3) Uani 1 1 d . . . . .
H11 H 0.6727 0.3854 0.5667 0.099 Uiso 1 1 calc R . . . .
C12 C 0.5776(10) 0.3879(7) 0.4876(4) 0.070(3) Uani 1 1 d . . . . .
H12 H 0.5060 0.4095 0.5056 0.084 Uiso 1 1 calc R . . . .
C13 C 0.5854(9) 0.3680(6) 0.4227(4) 0.061(2) Uani 1 1 d . . . . .
C14 C 0.3733(9) 0.3787(7) 0.3985(4) 0.068(3) Uani 1 1 d . . . . .
H14 H 0.3595 0.3701 0.4405 0.081 Uiso 1 1 calc R . . . .
C15 C 0.2654(7) 0.3891(6) 0.3600(4) 0.054(2) Uani 1 1 d . . . . .
C16 C 0.1589(9) 0.4215(7) 0.3884(5) 0.070(3) Uani 1 1 d . . . . .
H16 H 0.1583 0.4352 0.4316 0.084 Uiso 1 1 calc R . . . .
C17 C 0.0543(9) 0.4335(7) 0.3532(6) 0.077(3) Uani 1 1 d . . . . .
H17 H -0.0149 0.4579 0.3720 0.092 Uiso 1 1 calc R . . . .
C18 C 0.0549(9) 0.4090(7) 0.2907(6) 0.074(3) Uani 1 1 d . . . . .
H18 H -0.0156 0.4155 0.2669 0.089 Uiso 1 1 calc R . . . .
C19 C 0.1559(8) 0.3750(6) 0.2620(4) 0.060(2) Uani 1 1 d . . . . .
H19 H 0.1526 0.3580 0.2191 0.072 Uiso 1 1 calc R . . . .
C20 C 0.2649(7) 0.3653(5) 0.2957(4) 0.0474(19) Uani 1 1 d . . . . .
C21 C 0.7842(15) 0.6606(10) 0.3974(8) 0.109(5) Uani 1 1 d . . . . .
C22 C 0.6733(10) 0.6142(7) 0.3596(4) 0.066(3) Uani 1 1 d . . . . .
C23 C 0.5752(10) 0.6701(7) 0.3547(5) 0.078(3) Uani 1 1 d . . . . .
H23 H 0.5798 0.7319 0.3763 0.094 Uiso 1 1 calc R . . . .
C24 C 0.4689(10) 0.6368(7) 0.3182(4) 0.065(2) Uani 1 1 d . . . . .
C25 C 0.3674(11) 0.7009(7) 0.3106(5) 0.071(3) Uani 1 1 d . . . . .
C26 C 0.3876(12) 0.8011(8) 0.3196(6) 0.093(4) Uani 1 1 d . . . . .
H26 H 0.4669 0.8304 0.3311 0.112 Uiso 1 1 calc R . . . .
C27 C 0.2942(16) 0.8582(9) 0.3120(7) 0.118(5) Uani 1 1 d . . . . .
H27 H 0.3101 0.9261 0.3169 0.142 Uiso 1 1 calc R . . . .
C28 C 0.1770(16) 0.8151(12) 0.2971(8) 0.131(6) Uani 1 1 d . . . . .
H28 H 0.1114 0.8531 0.2926 0.157 Uiso 1 1 calc R . . . .
C29 C 0.1572(13) 0.7144(10) 0.2888(8) 0.128(5) Uani 1 1 d . . . . .
H29 H 0.0776 0.6843 0.2786 0.154 Uiso 1 1 calc R . . . .
C30 C 0.2529(12) 0.6587(8) 0.2953(6) 0.103(4) Uani 1 1 d . . . . .
H30 H 0.2386 0.5909 0.2890 0.123 Uiso 1 1 calc R . . . .
C31 C 0.8824(13) 0.5055(13) 0.1398(7) 0.105(4) Uani 1 1 d . . . . .
C32 C 0.7489(10) 0.4903(7) 0.1589(5) 0.072(3) Uani 1 1 d . . . . .
C33 C 0.6611(10) 0.5165(8) 0.1201(5) 0.078(3) Uani 1 1 d . . . . .
H33 H 0.6874 0.5429 0.0834 0.094 Uiso 1 1 calc R . . . .
C34 C 0.5320(9) 0.5061(6) 0.1319(4) 0.059(2) Uani 1 1 d . . . . .
C35 C 0.4426(9) 0.5548(7) 0.0956(5) 0.066(2) Uani 1 1 d . . . . .
C36 C 0.3255(10) 0.5581(10) 0.1162(7) 0.121(5) Uani 1 1 d . . . . .
H36 H 0.3012 0.5280 0.1520 0.145 Uiso 1 1 calc R . . . .
C37 C 0.2411(15) 0.6056(13) 0.0848(10) 0.160(7) Uani 1 1 d . . . . .
H37 H 0.1596 0.6067 0.0987 0.192 Uiso 1 1 calc R . . . .
C38 C 0.2791(17) 0.6516(11) 0.0324(9) 0.136(6) Uani 1 1 d . . . . .
H38 H 0.2233 0.6844 0.0110 0.164 Uiso 1 1 calc R . . . .
C39 C 0.3948(17) 0.6489(11) 0.0127(7) 0.130(6) Uani 1 1 d . . . . .
H39 H 0.4202 0.6791 -0.0229 0.156 Uiso 1 1 calc R . . . .
C40 C 0.4763(13) 0.6019(9) 0.0447(6) 0.104(4) Uani 1 1 d . . . . .
H40 H 0.5581 0.6021 0.0310 0.125 Uiso 1 1 calc R . . . .
C41 C 0.0951(13) 0.1148(11) 0.3762(7) 0.101(4) Uani 1 1 d . . . . .
C42 C 0.2221(8) 0.1283(6) 0.3500(5) 0.057(2) Uani 1 1 d . . . . .
C43 C 0.3217(8) 0.1215(7) 0.3894(5) 0.064(2) Uani 1 1 d . . . . .
H43 H 0.3080 0.1181 0.4319 0.077 Uiso 1 1 calc R . . . .
C44 C 0.4430(9) 0.1195(6) 0.3668(4) 0.058(2) Uani 1 1 d . . . . .
C45 C 0.5460(9) 0.0947(7) 0.4073(5) 0.070(3) Uani 1 1 d . . . . .
C46 C 0.5514(11) 0.1180(9) 0.4702(5) 0.093(4) Uani 1 1 d . . . . .
H46 H 0.4873 0.1489 0.4896 0.111 Uiso 1 1 calc R . . . .
C47 C 0.6519(16) 0.0963(13) 0.5060(7) 0.128(6) Uani 1 1 d . . . . .
H47 H 0.6565 0.1141 0.5488 0.153 Uiso 1 1 calc R . . . .
C48 C 0.7413(15) 0.0495(15) 0.4777(10) 0.154(9) Uani 1 1 d . . . . .
H48 H 0.8078 0.0341 0.5016 0.185 Uiso 1 1 calc R . . . .
C49 C 0.7387(11) 0.0231(11) 0.4143(8) 0.124(6) Uani 1 1 d . . . . .
H49 H 0.8008 -0.0110 0.3956 0.149 Uiso 1 1 calc R . . . .
C50 C 0.6419(10) 0.0487(8) 0.3796(6) 0.090(3) Uani 1 1 d . . . . .
H50 H 0.6408 0.0347 0.3365 0.107 Uiso 1 1 calc R . . . .
C51 C 0.2570(10) -0.0269(7) 0.1430(4) 0.069(3) Uani 1 1 d . . . . .
C52 C 0.1385(14) -0.0750(10) 0.1090(9) 0.119(6) Uani 1 1 d . . . . .
C53 C 0.3536(9) -0.0795(7) 0.1483(5) 0.075(3) Uani 1 1 d . . . . .
H53 H 0.3438 -0.1457 0.1345 0.089 Uiso 1 1 calc R . . . .
C54 C 0.4698(8) -0.0386(6) 0.1742(4) 0.059(2) Uani 1 1 d . . . . .
C55 C 0.5730(8) -0.0977(6) 0.1850(4) 0.060(2) Uani 1 1 d . . . . .
C56 C 0.5566(11) -0.1979(8) 0.1836(6) 0.090(3) Uani 1 1 d . . . . .
H56 H 0.4797 -0.2320 0.1724 0.108 Uiso 1 1 calc R . . . .
C57 C 0.6564(15) -0.2475(10) 0.1992(7) 0.115(5) Uani 1 1 d . . . . .
H57 H 0.6456 -0.3156 0.1976 0.138 Uiso 1 1 calc R . . . .
C58 C 0.7672(14) -0.2012(11) 0.2164(7) 0.109(4) Uani 1 1 d . . . . .
H58 H 0.8321 -0.2364 0.2272 0.131 Uiso 1 1 calc R . . . .
C59 C 0.7847(11) -0.1017(10) 0.2180(6) 0.101(4) Uani 1 1 d . . . . .
H59 H 0.8622 -0.0684 0.2292 0.121 Uiso 1 1 calc R . . . .
C60 C 0.6871(10) -0.0508(8) 0.2031(5) 0.083(3) Uani 1 1 d . . . . .
H60 H 0.6989 0.0172 0.2053 0.099 Uiso 1 1 calc R . . . .
C62 C 0.272(2) 0.1344(17) -0.0255(9) 0.179(8) Uani 1 1 d . . . . .
H62 H 0.2201 0.1097 -0.0593 0.214 Uiso 1 1 calc R . . . .
C63 C 0.1398(19) 0.2435(16) -0.0041(8) 0.173(8) Uani 1 1 d . . . . .
H63A H 0.1461 0.2637 -0.0462 0.207 Uiso 1 1 calc R . . . .
H63B H 0.0737 0.1901 -0.0038 0.207 Uiso 1 1 calc R . . . .
C61 C 0.388(2) 0.0975(17) -0.0052(9) 0.204(9) Uani 1 1 d . . . . .
H61A H 0.4581 0.1362 -0.0208 0.306 Uiso 1 1 calc GR . . . .
H61B H 0.3884 0.0304 -0.0213 0.306 Uiso 1 1 calc GR . . . .
H61C H 0.3918 0.1020 0.0396 0.306 Uiso 1 1 calc GR . . . .
C64 C 0.112(2) 0.321(2) 0.0368(12) 0.279(16) Uani 1 1 d . . . . .
H64A H 0.0317 0.3400 0.0262 0.419 Uiso 1 1 calc GR . . . .
H64B H 0.1743 0.3757 0.0338 0.419 Uiso 1 1 calc GR . . . .
H64C H 0.1111 0.3020 0.0787 0.419 Uiso 1 1 calc GR . . . .
O12 O 0.2570(10) 0.2110(8) 0.0149(4) 0.121(3) Uani 1 1 d . . . . .
N1 N 0.6909(6) 0.3176(5) 0.3311(3) 0.0517(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 Dy1 3.7524(5) . ?
Dy2 O8 2.299(6) . ?
Dy2 O10 2.261(6) . ?
Dy2 O9 2.312(6) . ?
Dy2 O7 2.299(6) . ?
Dy2 O11 2.362(7) . ?
Dy2 O1 2.301(5) . ?
Dy2 O2 2.297(5) . ?
Dy1 O5 2.331(6) . ?
Dy1 O6 2.328(6) . ?
Dy1 O4 2.363(6) . ?
Dy1 O3 2.337(6) . ?
Dy1 O1 2.312(5) . ?
Dy1 O2 2.313(5) . ?
Dy1 N2 2.524(7) . ?
Dy1 N1 2.470(7) . ?
F1 F2' 1.26(3) . ?
F1 F3' 0.94(3) . ?
F1 C21 1.319(18) . ?
F1' F2 0.88(3) . ?
F1' F3 1.46(3) . ?
F1' C21 1.34(3) . ?
F2 F3' 1.61(3) . ?
F2 C21 1.39(2) . ?
F2' F3 1.23(3) . ?
F2' C21 1.33(3) . ?
F3 C21 1.320(19) . ?
F3' C21 1.45(3) . ?
F4 C31 1.287(15) . ?
F5 C31 1.301(17) . ?
F6 C31 1.304(15) . ?
F7 F8' 0.57(3) . ?
F7 C41 1.30(2) . ?
F7' F8 1.16(2) . ?
F7' F9 1.17(2) . ?
F7' C41 1.29(2) . ?
F8 F9' 1.07(2) . ?
F8 C41 1.292(19) . ?
F8' F9 1.68(3) . ?
F8' C41 1.26(3) . ?
F9 C41 1.45(2) . ?
F9' C41 1.47(2) . ?
F10 F11' 1.59(3) . ?
F10 F12' 1.10(2) . ?
F10 C52 1.33(2) . ?
F10' F11 1.33(2) . ?
F10' F12 1.18(2) . ?
F10' C52 1.42(2) . ?
F11 F12' 1.16(2) . ?
F11 C52 1.39(2) . ?
F11' F12 1.07(2) . ?
F11' C52 1.34(2) . ?
F12 C52 1.31(2) . ?
F12' C52 1.21(2) . ?
O5 C24 1.251(10) . ?
O8 C42 1.251(10) . ?
O6 C22 1.224(10) . ?
O10 C54 1.252(9) . ?
O9 C51 1.267(10) . ?
O7 C44 1.252(10) . ?
O4 C34 1.271(10) . ?
O3 C32 1.249(11) . ?
O1 C1 1.351(9) . ?
O2 C20 1.332(9) . ?
N2 C13 1.434(11) . ?
N2 C14 1.293(11) . ?
C1 C2 1.395(11) . ?
C1 C6 1.375(11) . ?
C2 C3 1.395(13) . ?
C3 C4 1.367(15) . ?
C4 C5 1.375(14) . ?
C5 C6 1.415(12) . ?
C6 C7 1.442(12) . ?
C7 N1 1.331(10) . ?
C8 C9 1.396(12) . ?
C8 C13 1.393(12) . ?
C8 N1 1.394(10) . ?
C9 C10 1.354(13) . ?
C10 C11 1.376(14) . ?
C11 C12 1.359(13) . ?
C12 C13 1.403(12) . ?
C14 C15 1.449(12) . ?
C15 C16 1.398(11) . ?
C15 C20 1.392(11) . ?
C16 C17 1.384(14) . ?
C17 C18 1.357(14) . ?
C18 C19 1.359(12) . ?
C19 C20 1.400(11) . ?
C21 C22 1.496(16) . ?
C22 C23 1.379(14) . ?
C23 C24 1.398(13) . ?
C24 C25 1.491(13) . ?
C25 C26 1.371(13) . ?
C25 C30 1.335(14) . ?
C26 C27 1.356(16) . ?
C27 C28 1.364(18) . ?
C28 C29 1.378(18) . ?
C29 C30 1.360(15) . ?
C31 C32 1.497(16) . ?
C32 C33 1.352(14) . ?
C33 C34 1.411(13) . ?
C34 C35 1.482(12) . ?
C35 C36 1.344(14) . ?
C35 C40 1.352(14) . ?
C36 C37 1.378(18) . ?
C37 C38 1.38(2) . ?
C38 C39 1.32(2) . ?
C39 C40 1.359(16) . ?
C41 C42 1.482(15) . ?
C42 C43 1.377(12) . ?
C43 C44 1.399(12) . ?
C44 C45 1.490(12) . ?
C45 C46 1.363(14) . ?
C45 C50 1.380(14) . ?
C46 C47 1.395(17) . ?
C47 C48 1.34(2) . ?
C48 C49 1.38(2) . ?
C49 C50 1.369(15) . ?
C51 C52 1.528(16) . ?
C51 C53 1.338(13) . ?
C53 C54 1.409(12) . ?
C54 C55 1.472(12) . ?
C55 C56 1.371(13) . ?
C55 C60 1.367(13) . ?
C56 C57 1.386(16) . ?
C57 C58 1.329(17) . ?
C58 C59 1.362(16) . ?
C59 C60 1.373(14) . ?
C62 C61 1.47(2) . ?
C62 O12 1.331(18) . ?
C63 C64 1.39(2) . ?
C63 O12 1.449(18) . ?

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
O8 Dy2 Dy1 110.67(14) . . ?
O8 Dy2 O9 79.2(2) . . ?
O8 Dy2 O7 72.4(2) . . ?
O8 Dy2 O11 120.4(3) . . ?
O8 Dy2 O1 140.89(19) . . ?
O10 Dy2 Dy1 115.93(15) . . ?
O10 Dy2 O8 116.5(2) . . ?
O10 Dy2 O9 72.8(2) . . ?
O10 Dy2 O7 75.1(2) . . ?
O10 Dy2 O11 107.6(3) . . ?
O10 Dy2 O1 81.8(2) . . ?
O10 Dy2 O2 151.1(2) . . ?
O9 Dy2 Dy1 158.65(17) . . ?
O9 Dy2 O11 77.8(2) . . ?
O7 Dy2 Dy1 80.73(16) . . ?
O7 Dy2 O9 120.6(2) . . ?
O7 Dy2 O11 160.6(2) . . ?
O7 Dy2 O1 80.5(2) . . ?
O11 Dy2 Dy1 80.95(16) . . ?
O1 Dy2 Dy1 35.67(12) . . ?
O1 Dy2 O9 139.8(2) . . ?
O1 Dy2 O11 81.0(2) . . ?
O2 Dy2 Dy1 35.66(14) . . ?
O2 Dy2 O8 81.6(2) . . ?
O2 Dy2 O9 135.1(2) . . ?
O2 Dy2 O7 90.8(2) . . ?
O2 Dy2 O11 77.8(2) . . ?
O2 Dy2 O1 70.95(18) . . ?
O5 Dy1 Dy2 117.77(15) . . ?
O5 Dy1 O4 72.8(2) . . ?
O5 Dy1 O3 109.8(2) . . ?
O5 Dy1 N2 83.0(2) . . ?
O5 Dy1 N1 137.9(2) . . ?
O6 Dy1 Dy2 158.12(16) . . ?
O6 Dy1 O5 72.3(2) . . ?
O6 Dy1 O4 120.2(2) . . ?
O6 Dy1 O3 75.7(2) . . ?
O6 Dy1 N2 78.0(2) . . ?
O6 Dy1 N1 76.1(2) . . ?
O4 Dy1 Dy2 81.68(16) . . ?
O4 Dy1 N2 141.5(2) . . ?
O4 Dy1 N1 148.9(2) . . ?
O3 Dy1 Dy2 114.89(15) . . ?
O3 Dy1 O4 72.5(2) . . ?
O3 Dy1 N2 145.3(2) . . ?
O3 Dy1 N1 88.2(2) . . ?
O1 Dy1 Dy2 35.46(13) . . ?
O1 Dy1 O5 146.5(2) . . ?
O1 Dy1 O6 140.7(2) . . ?
O1 Dy1 O4 81.4(2) . . ?
O1 Dy1 O3 81.4(2) . . ?
O1 Dy1 O2 70.45(17) . . ?
O1 Dy1 N2 106.0(2) . . ?
O1 Dy1 N1 71.6(2) . . ?
O2 Dy1 Dy2 35.37(12) . . ?
O2 Dy1 O5 83.62(19) . . ?
O2 Dy1 O6 141.3(2) . . ?
O2 Dy1 O4 78.6(2) . . ?
O2 Dy1 O3 142.2(2) . . ?
O2 Dy1 N2 69.2(2) . . ?
O2 Dy1 N1 105.5(2) . . ?
N2 Dy1 Dy2 83.88(15) . . ?
N1 Dy1 Dy2 84.93(15) . . ?
N1 Dy1 N2 63.5(2) . . ?
F2' F1 C21 61.9(16) . . ?
F3' F1 F2' 137(3) . . ?
F3' F1 C21 78(2) . . ?
F2 F1' F3 130(4) . . ?
F2 F1' C21 74(3) . . ?
C21 F1' F3 56.1(17) . . ?
F1' F2 F3' 112(3) . . ?
F1' F2 C21 68(3) . . ?
C21 F2 F3' 57.2(13) . . ?
F1 F2' C21 61.4(16) . . ?
F3 F2' F1 116(3) . . ?
F3 F2' C21 62.1(17) . . ?
F2' F3 F1' 109(2) . . ?
F2' F3 C21 62.6(16) . . ?
C21 F3 F1' 57.6(14) . . ?
F1 F3' F2 110(3) . . ?
F1 F3' C21 63(2) . . ?
C21 F3' F2 53.8(12) . . ?
F8' F7 C41 73(4) . . ?
F8 F7' F9 129(2) . . ?
F8 F7' C41 63.3(14) . . ?
F9 F7' C41 72.3(15) . . ?
F7' F8 C41 63.4(14) . . ?
F9' F8 F7' 139(2) . . ?
F9' F8 C41 76.1(16) . . ?
F7 F8' F9 138(5) . . ?
F7 F8' C41 81(4) . . ?
C41 F8' F9 57.0(13) . . ?
F7' F9 F8' 95.0(17) . . ?
F7' F9 C41 57.9(13) . . ?
C41 F9 F8' 46.8(10) . . ?
F8 F9' C41 58.7(15) . . ?
F12' F10 F11' 104(2) . . ?
F12' F10 C52 58.7(16) . . ?
C52 F10 F11' 53.7(13) . . ?
F11 F10' C52 60.6(14) . . ?
F12 F10' F11 115(2) . . ?
F12 F10' C52 59.8(15) . . ?
F10' F11 C52 63.1(14) . . ?
F12' F11 F10' 109(2) . . ?
F12' F11 C52 55.7(15) . . ?
F12 F11' F10 110(2) . . ?
F12 F11' C52 65.1(18) . . ?
C52 F11' F10 53.1(12) . . ?
F10' F12 C52 69.5(16) . . ?
F11' F12 F10' 136(3) . . ?
F11' F12 C52 67.4(18) . . ?
F10 F12' F11 142(3) . . ?
F10 F12' C52 70.0(18) . . ?
F11 F12' C52 72.1(19) . . ?
C24 O5 Dy1 138.0(6) . . ?
C42 O8 Dy2 133.6(6) . . ?
C22 O6 Dy1 134.6(6) . . ?
C54 O10 Dy2 137.8(6) . . ?
C51 O9 Dy2 130.5(6) . . ?
C44 O7 Dy2 139.0(6) . . ?
C34 O4 Dy1 133.8(6) . . ?
C32 O3 Dy1 134.6(7) . . ?
Dy2 O1 Dy1 108.9(2) . . ?
C1 O1 Dy2 127.9(4) . . ?
C1 O1 Dy1 121.8(5) . . ?
Dy2 O2 Dy1 109.0(2) . . ?
C20 O2 Dy2 127.0(5) . . ?
C20 O2 Dy1 123.2(4) . . ?
C13 N2 Dy1 114.4(6) . . ?
C14 N2 Dy1 125.5(6) . . ?
C14 N2 C13 120.0(8) . . ?
O1 C1 C2 119.2(8) . . ?
O1 C1 C6 120.6(7) . . ?
C6 C1 C2 120.1(8) . . ?
C1 C2 C3 119.3(9) . . ?
C4 C3 C2 120.9(10) . . ?
C3 C4 C5 120.0(10) . . ?
C4 C5 C6 120.0(9) . . ?
C1 C6 C5 119.6(9) . . ?
C1 C6 C7 123.3(8) . . ?
C5 C6 C7 117.1(8) . . ?
N1 C7 C6 126.1(8) . . ?
C13 C8 C9 117.9(8) . . ?
C13 C8 N1 116.3(8) . . ?
N1 C8 C9 125.8(8) . . ?
C10 C9 C8 121.4(10) . . ?
C9 C10 C11 119.3(10) . . ?
C12 C11 C10 122.3(10) . . ?
C11 C12 C13 118.0(10) . . ?
C8 C13 N2 115.5(8) . . ?
C8 C13 C12 120.9(8) . . ?
C12 C13 N2 123.6(9) . . ?
N2 C14 C15 125.7(9) . . ?
C16 C15 C14 119.1(8) . . ?
C20 C15 C14 121.2(8) . . ?
C20 C15 C16 119.7(8) . . ?
C17 C16 C15 120.9(9) . . ?
C18 C17 C16 118.6(9) . . ?
C17 C18 C19 121.8(9) . . ?
C18 C19 C20 121.2(9) . . ?
O2 C20 C15 121.5(7) . . ?
O2 C20 C19 120.7(7) . . ?
C15 C20 C19 117.8(8) . . ?
F1 C21 F1' 116.5(18) . . ?
F1 C21 F2 103.2(15) . . ?
F1 C21 F2' 56.7(12) . . ?
F1 C21 F3 105.9(14) . . ?
F1 C21 F3' 39.5(12) . . ?
F1 C21 C22 118.8(14) . . ?
F1' C21 F2 37.3(13) . . ?
F1' C21 F3' 97(2) . . ?
F1' C21 C22 120.1(15) . . ?
F2 C21 F3' 69.1(15) . . ?
F2 C21 C22 107.5(13) . . ?
F2' C21 F1' 110(2) . . ?
F2' C21 F2 134.4(17) . . ?
F2' C21 F3' 95.2(16) . . ?
F2' C21 C22 118.0(17) . . ?
F3 C21 F1' 66.4(16) . . ?
F3 C21 F2 103.4(15) . . ?
F3 C21 F2' 55.4(14) . . ?
F3 C21 F3' 132.2(15) . . ?
F3 C21 C22 116.1(13) . . ?
F3' C21 C22 110.9(16) . . ?
O6 C22 C21 114.1(10) . . ?
O6 C22 C23 129.3(9) . . ?
C23 C22 C21 116.6(10) . . ?
C22 C23 C24 122.0(9) . . ?
O5 C24 C23 123.5(9) . . ?
O5 C24 C25 115.5(9) . . ?
C23 C24 C25 121.0(9) . . ?
C26 C25 C24 122.2(11) . . ?
C30 C25 C24 118.5(9) . . ?
C30 C25 C26 119.3(11) . . ?
C27 C26 C25 121.4(13) . . ?
C26 C27 C28 119.3(13) . . ?
C27 C28 C29 118.9(13) . . ?
C30 C29 C28 120.6(14) . . ?
C25 C30 C29 120.4(12) . . ?
F4 C31 F5 106.9(14) . . ?
F4 C31 F6 105.0(14) . . ?
F4 C31 C32 116.0(12) . . ?
F5 C31 F6 102.2(13) . . ?
F5 C31 C32 112.5(13) . . ?
F6 C31 C32 113.1(12) . . ?
O3 C32 C31 114.2(10) . . ?
O3 C32 C33 128.0(10) . . ?
C33 C32 C31 117.9(11) . . ?
C32 C33 C34 124.0(10) . . ?
O4 C34 C33 122.4(8) . . ?
O4 C34 C35 115.9(9) . . ?
C33 C34 C35 121.7(9) . . ?
C36 C35 C34 119.0(10) . . ?
C36 C35 C40 118.3(10) . . ?
C40 C35 C34 122.5(10) . . ?
C35 C36 C37 120.6(14) . . ?
C36 C37 C38 119.1(16) . . ?
C39 C38 C37 120.1(15) . . ?
C38 C39 C40 119.6(15) . . ?
C35 C40 C39 122.2(14) . . ?
F7 C41 F9 101.6(14) . . ?
F7 C41 F9' 81.6(14) . . ?
F7 C41 C42 110.3(13) . . ?
F7' C41 F7 133.6(15) . . ?
F7' C41 F9 49.9(11) . . ?
F7' C41 F9' 98.4(14) . . ?
F7' C41 C42 113.5(12) . . ?
F8 C41 F7 113.9(16) . . ?
F8 C41 F7' 53.3(11) . . ?
F8 C41 F9 99.4(14) . . ?
F8 C41 F9' 45.2(10) . . ?
F8 C41 C42 120.1(12) . . ?
F8' C41 F7 25.5(13) . . ?
F8' C41 F7' 112.8(16) . . ?
F8' C41 F8 116.7(18) . . ?
F8' C41 F9 76.1(13) . . ?
F8' C41 F9' 99.7(17) . . ?
F8' C41 C42 120.7(15) . . ?
F9 C41 F9' 138.8(13) . . ?
F9 C41 C42 109.2(12) . . ?
F9' C41 C42 107.9(13) . . ?
O8 C42 C41 113.2(9) . . ?
O8 C42 C43 129.1(8) . . ?
C43 C42 C41 117.6(10) . . ?
C42 C43 C44 121.5(9) . . ?
O7 C44 C43 122.6(8) . . ?
O7 C44 C45 116.4(9) . . ?
C43 C44 C45 120.9(9) . . ?
C46 C45 C44 122.9(10) . . ?
C46 C45 C50 118.5(10) . . ?
C50 C45 C44 118.5(10) . . ?
C45 C46 C47 120.9(14) . . ?
C48 C47 C46 118.8(16) . . ?
C47 C48 C49 122.3(15) . . ?
C50 C49 C48 118.0(15) . . ?
C49 C50 C45 121.4(13) . . ?
O9 C51 C52 110.5(10) . . ?
O9 C51 C53 130.5(9) . . ?
C53 C51 C52 118.9(9) . . ?
F10 C52 F10' 137.2(15) . . ?
F10 C52 F11 103.4(15) . . ?
F10 C52 F11' 73.2(16) . . ?
F10 C52 C51 113.7(14) . . ?
F10' C52 C51 108.6(14) . . ?
F11 C52 F10' 56.3(14) . . ?
F11 C52 C51 107.4(14) . . ?
F11' C52 F10' 97.6(13) . . ?
F11' C52 F11 138.8(14) . . ?
F11' C52 C51 111.4(14) . . ?
F12 C52 F10 112.7(17) . . ?
F12 C52 F10' 50.7(11) . . ?
F12 C52 F11 102.9(17) . . ?
F12 C52 F11' 47.4(10) . . ?
F12 C52 C51 115.2(13) . . ?
F12' C52 F10 51.3(13) . . ?
F12' C52 F10' 101(2) . . ?
F12' C52 F11 52.3(13) . . ?
F12' C52 F11' 114(2) . . ?
F12' C52 F12 123.0(16) . . ?
F12' C52 C51 121.1(13) . . ?
C51 C53 C54 122.5(9) . . ?
O10 C54 C53 120.4(8) . . ?
O10 C54 C55 116.8(8) . . ?
C53 C54 C55 122.8(8) . . ?
C56 C55 C54 122.6(9) . . ?
C60 C55 C54 118.9(8) . . ?
C60 C55 C56 118.2(10) . . ?
C55 C56 C57 119.0(11) . . ?
C58 C57 C56 122.2(13) . . ?
C57 C58 C59 119.4(13) . . ?
C58 C59 C60 119.5(12) . . ?
C55 C60 C59 121.6(10) . . ?
O12 C62 C61 105.0(16) . . ?
C64 C63 O12 109.2(16) . . ?
C62 O12 C63 104.2(14) . . ?
C7 N1 Dy1 123.2(6) . . ?
C7 N1 C8 119.7(7) . . ?
C8 N1 Dy1 116.9(5) . . ?

_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_c
_database_code_depnum_ccdc_archive 'CCDC 1580020'
_audit_update_record             
;
2017-10-14 deposited with the CCDC.
2017-12-26 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            'C80 H58 Dy2 N2 O11'
_chemical_formula_weight         1548.28

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.3258(2)
_cell_length_b                   12.2533(2)
_cell_length_c                   23.9816(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.764(2)
_cell_angle_gamma                90
_cell_volume                     3588.78(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_F_000             1544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    2.126
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23886
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.317
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7326
_reflns_number_gt                6022
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0522P)²+11.3522P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7326
_refine_ls_number_parameters     461
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1427
_refine_ls_wR_factor_gt          0.1337
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_restrained_S_all      1.221
_refine_ls_shift/su_max          0.007
_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 0.47367(2) 0.57446(2) 0.06648(2) 0.04091(12) Uani 1 1 d . . . . .
C1 C 0.1049(8) 0.6526(9) 0.0322(5) 0.077(5) Uani 0.5 1 d G U P A 1
H1A H 0.0679 0.5907 0.0417 0.093 Uiso 0.5 1 calc R U P A 1
C2 C 0.2131(8) 0.6447(7) 0.0222(4) 0.058(4) Uani 0.5 1 d DG U P A 1
C3 C 0.2685(6) 0.7373(8) 0.0080(4) 0.061(4) Uani 0.5 1 d G U P A 1
C4 C 0.2157(9) 0.8378(7) 0.0038(4) 0.084(5) Uani 0.5 1 d G U P A 1
H4A H 0.2528 0.8997 -0.0057 0.101 Uiso 0.5 1 calc R U P A 1
C5 C 0.1075(9) 0.8457(8) 0.0138(4) 0.097(6) Uani 0.5 1 d G U P A 1
H5A H 0.0722 0.9129 0.0110 0.117 Uiso 0.5 1 calc R U P A 1
C6 C 0.0521(6) 0.7531(11) 0.0280(5) 0.077(5) Uani 0.5 1 d G U P A 1
H6A H -0.0203 0.7584 0.0347 0.092 Uiso 0.5 1 calc R U P A 1
C7 C 0.4327(12) 0.7847(11) -0.0317(6) 0.048(3) Uani 0.5 1 d . . P A 1
H7A H 0.3902 0.8387 -0.0513 0.058 Uiso 0.5 1 calc R U P A 1
C8 C 0.2252(12) 0.4539(12) 0.0223(7) 0.059(4) Uani 0.5 1 d D . P A 1
H8A H 0.1515 0.4540 0.0075 0.070 Uiso 0.5 1 calc R U P A 1
N2 N 0.2760(10) 0.5511(9) 0.0293(6) 0.051(3) Uiso 0.5 1 d D . P A 1
N1 N 0.3852(9) 0.7245(9) 0.0019(5) 0.050(3) Uani 0.5 1 d . . P A 1
C9 C 0.7260(16) 0.8487(13) -0.0659(6) 0.147(7) Uani 1 1 d . U . . .
H9A H 0.7660 0.9071 -0.0772 0.177 Uiso 1 1 calc R U . . .
C10 C 0.7746(12) 0.7539(14) -0.0540(7) 0.143(7) Uani 1 1 d . . . . .
H10A H 0.8489 0.7478 -0.0568 0.172 Uiso 1 1 calc R U . . .
C11 C 0.7187(7) 0.6613(8) -0.0373(4) 0.082(3) Uani 1 1 d . . . . .
C12 C 0.6076(6) 0.6745(6) -0.0318(3) 0.0502(17) Uani 1 1 d . . . . .
C13 C 0.5533(8) 0.7761(6) -0.0427(3) 0.071(2) Uani 1 1 d . . . . .
C14 C 0.6153(14) 0.8619(8) -0.0617(4) 0.111(4) Uani 1 1 d . U . . .
H14A H 0.5816 0.9284 -0.0715 0.134 Uiso 1 1 calc R U . . .
C15 C 0.4620(7) 0.8427(6) 0.1401(3) 0.061(2) Uani 1 1 d . . . . .
H15A H 0.4568 0.9120 0.1553 0.073 Uiso 1 1 calc R U . . .
C16 C 0.6851(6) 0.4344(6) 0.1296(3) 0.0538(18) Uani 1 1 d . . . . .
C17 C 0.5576(7) 0.8149(6) 0.1178(3) 0.0555(18) Uani 1 1 d . . . . .
C18 C 0.2784(6) 0.8057(7) 0.1679(3) 0.060(2) Uani 1 1 d . . . . .
C19 C 0.9684(10) 0.3072(12) 0.1393(6) 0.118(4) Uani 1 1 d . . . . .
H19A H 1.0001 0.2383 0.1395 0.141 Uiso 1 1 calc R U . . .
C20 C 0.2531(8) 0.9133(7) 0.1781(4) 0.081(3) Uani 1 1 d . . . . .
H20A H 0.2986 0.9686 0.1682 0.098 Uiso 1 1 calc R U . . .
C21 C 0.8416(10) 0.9194(11) 0.1143(8) 0.149(7) Uani 1 1 d . . . . .
H21A H 0.9030 0.8999 0.0980 0.178 Uiso 1 1 calc R U . . .
C22 C 0.8549(7) 0.3175(9) 0.1366(5) 0.088(3) Uani 1 1 d . . . . .
H22A H 0.8117 0.2553 0.1369 0.105 Uiso 1 1 calc R U . . .
C23 C 0.5007(8) 0.2081(7) 0.2208(3) 0.069(2) Uani 1 1 d . . . . .
H23A H 0.5719 0.1899 0.2156 0.083 Uiso 1 1 calc R U . . .
C24 C 0.5128(5) 0.3775(6) 0.1627(3) 0.0439(15) Uani 1 1 d . . . . .
C25 C 0.8066(6) 0.4188(8) 0.1337(3) 0.066(2) Uani 1 1 d . . . . .
C26 C 0.2093(7) 0.7262(8) 0.1838(4) 0.074(2) Uani 1 1 d . . . . .
H26A H 0.2238 0.6531 0.1773 0.088 Uiso 1 1 calc R U . . .
C27 C 0.4437(10) 0.1407(8) 0.2518(4) 0.084(3) Uani 1 1 d . . . . .
H27A H 0.4773 0.0779 0.2676 0.100 Uiso 1 1 calc R U . . .
C28 C 0.3406(11) 0.1632(9) 0.2600(4) 0.095(3) Uani 1 1 d . . . . .
H28A H 0.3028 0.1157 0.2807 0.113 Uiso 1 1 calc R U . . .
C29 C 0.3500(7) 0.3259(8) 0.2051(4) 0.074(2) Uani 1 1 d . . . . .
H29A H 0.3161 0.3883 0.1890 0.088 Uiso 1 1 calc R U . . .
C30 C 0.8463(9) 1.0061(10) 0.1504(8) 0.143(6) Uani 1 1 d . . . . .
H30A H 0.9104 1.0469 0.1571 0.172 Uiso 1 1 calc R U . . .
C31 C 0.7435(8) 0.8593(9) 0.1020(5) 0.099(4) Uani 1 1 d . . . . .
H31A H 0.7390 0.8016 0.0766 0.119 Uiso 1 1 calc R U . . .
C32 C 0.6639(9) 0.9771(8) 0.1635(4) 0.085(3) Uani 1 1 d . . . . .
H32A H 0.6024 0.9993 0.1791 0.102 Uiso 1 1 calc R U . . .
C33 C 0.1182(9) 0.7544(10) 0.2093(5) 0.095(3) Uani 1 1 d . . . . .
H33A H 0.0729 0.7001 0.2205 0.114 Uiso 1 1 calc R U . . .
C34 C 0.0953(9) 0.8612(11) 0.2181(5) 0.097(3) Uani 1 1 d . . . . .
H34A H 0.0338 0.8799 0.2346 0.117 Uiso 1 1 calc R U . . .
C35 C 1.0336(9) 0.3993(14) 0.1415(5) 0.114(5) Uani 1 1 d . . . . .
H35A H 1.1094 0.3935 0.1450 0.137 Uiso 1 1 calc R U . . .
C36 C 0.2918(9) 0.2558(10) 0.2380(5) 0.095(3) Uani 1 1 d . . . . .
H36A H 0.2211 0.2733 0.2443 0.114 Uiso 1 1 calc R U . . .
C37 C 0.9837(9) 0.4990(12) 0.1383(5) 0.100(4) Uani 1 1 d . . . . .
H37A H 1.0263 0.5619 0.1397 0.120 Uiso 1 1 calc R U . . .
C38 C 0.1619(9) 0.9403(9) 0.2027(5) 0.099(4) Uani 1 1 d . . . . .
H38A H 0.1460 1.0132 0.2088 0.119 Uiso 1 1 calc R U . . .
C39 C 0.3742(6) 0.7712(6) 0.1405(3) 0.0557(18) Uani 1 1 d . . . . .
C40 C 0.6239(6) 0.3672(6) 0.1605(3) 0.0575(18) Uani 1 1 d . . . . .
H40A H 0.6607 0.3112 0.1813 0.069 Uiso 1 1 calc R U . . .
C41 C 0.7596(9) 1.0337(9) 0.1763(6) 0.107(4) Uani 1 1 d . . . . .
H41A H 0.7649 1.0902 0.2024 0.128 Uiso 1 1 calc R U . . .
C42 C 0.4542(6) 0.3025(5) 0.1970(3) 0.0472(16) Uani 1 1 d . . . . .
C43 C 0.8714(7) 0.5081(9) 0.1331(4) 0.081(3) Uani 1 1 d . . . . .
H43A H 0.8393 0.5769 0.1290 0.097 Uiso 1 1 calc R U . . .
C44 C 0.6558(7) 0.8871(6) 0.1277(3) 0.061(2) Uani 1 1 d . . . . .
O2 O 0.3726(4) 0.6742(4) 0.1215(2) 0.0557(12) Uani 1 1 d . . . . .
O3 O 0.5700(5) 0.7297(4) 0.0896(2) 0.0670(15) Uani 1 1 d . . . . .
O4 O 0.6474(4) 0.5091(5) 0.0979(2) 0.0606(14) Uani 1 1 d . . . . .
O5 O 0.4550(3) 0.4542(3) 0.13696(18) 0.0426(10) Uani 1 1 d . . . . .
O1 O 0.4483(4) 0.4104(3) 0.01579(19) 0.0443(10) Uani 1 1 d . . . . .
O6 O 0.3046(9) 0.6013(11) 0.0060(5) 0.071(3) Uani 0.5 1 d . . P A 2
H7B H 0.3166 0.6003 -0.0330 0.085 Uiso 0.5 1 d R U P A 2
H7C H 0.2724 0.6590 0.0259 0.085 Uiso 0.5 1 d R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.271(5) . ?
Dy1 O5 2.277(4) . ?
Dy1 O2 2.287(5) . ?
Dy1 O4 2.315(5) . ?
Dy1 O1 2.316(4) 3_665 ?
Dy1 O1 2.348(4) . ?
Dy1 O6 2.396(11) . ?
Dy1 N2 2.496(12) . ?
Dy1 N1 2.551(11) . ?
Dy1 Dy1 3.8049(6) 3_665 ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 N2 1.381(12) . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C3 N1 1.473(13) . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C7 N1 1.292(17) . ?
C7 C13 1.548(17) . ?
C8 N2 1.345(14) . ?
C8 C11 1.591(19) 3_665 ?
C9 C10 1.32(2) . ?
C9 C14 1.39(2) . ?
C10 C11 1.414(16) . ?
C11 C12 1.402(11) . ?
C11 C8 1.591(19) 3_665 ?
C12 O1 1.333(8) 3_665 ?
C12 C13 1.421(11) . ?
C13 C14 1.411(13) . ?
C15 C39 1.393(11) . ?
C15 C17 1.400(11) . ?
C16 O4 1.240(9) . ?
C16 C40 1.395(11) . ?
C16 C25 1.499(10) . ?
C17 O3 1.265(8) . ?
C17 C44 1.492(11) . ?
C18 C26 1.381(12) . ?
C18 C20 1.384(11) . ?
C18 C39 1.489(10) . ?
C19 C35 1.382(17) . ?
C19 C22 1.397(13) . ?
C20 C38 1.379(14) . ?
C21 C30 1.365(17) . ?
C21 C31 1.412(14) . ?
C22 C25 1.374(13) . ?
C23 C27 1.367(13) . ?
C23 C42 1.380(10) . ?
C24 O5 1.287(8) . ?
C24 C40 1.383(10) . ?
C24 C42 1.484(9) . ?
C25 C43 1.356(12) . ?
C26 C33 1.394(13) . ?
C27 C28 1.341(15) . ?
C28 C36 1.358(15) . ?
C29 C42 1.356(11) . ?
C29 C36 1.423(12) . ?
C30 C41 1.350(17) . ?
C31 C44 1.359(12) . ?
C32 C41 1.367(13) . ?
C32 C44 1.392(12) . ?
C33 C34 1.362(15) . ?
C34 C38 1.353(15) . ?
C35 C37 1.365(17) . ?
C37 C43 1.378(13) . ?
C39 O2 1.272(8) . ?
O1 C12 1.333(8) 3_665 ?
O1 Dy1 2.316(4) 3_665 ?

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 O5 117.58(18) . . ?
O3 Dy1 O2 73.71(18) . . ?
O5 Dy1 O2 78.47(17) . . ?
O3 Dy1 O4 77.3(2) . . ?
O5 Dy1 O4 73.56(16) . . ?
O2 Dy1 O4 123.35(19) . . ?
O3 Dy1 O1 82.93(16) . 3_665 ?
O5 Dy1 O1 141.22(15) . 3_665 ?
O2 Dy1 O1 140.32(16) . 3_665 ?
O4 Dy1 O1 80.35(17) . 3_665 ?
O3 Dy1 O1 150.68(17) . . ?
O5 Dy1 O1 79.08(15) . . ?
O2 Dy1 O1 135.34(17) . . ?
O4 Dy1 O1 85.68(18) . . ?
O1 Dy1 O1 70.68(16) 3_665 . ?
O3 Dy1 O6 114.6(4) . . ?
O5 Dy1 O6 111.8(4) . . ?
O2 Dy1 O6 77.2(3) . . ?
O4 Dy1 O6 159.3(3) . . ?
O1 Dy1 O6 84.3(3) 3_665 . ?
O1 Dy1 O6 76.1(3) . . ?
O3 Dy1 N2 129.5(3) . . ?
O5 Dy1 N2 90.0(3) . . ?
O2 Dy1 N2 71.7(3) . . ?
O4 Dy1 N2 153.2(3) . . ?
O1 Dy1 N2 101.7(3) 3_665 . ?
O1 Dy1 N2 70.2(3) . . ?
O3 Dy1 N1 73.2(3) . . ?
O5 Dy1 N1 147.0(3) . . ?
O2 Dy1 N1 75.1(3) . . ?
O4 Dy1 N1 138.4(3) . . ?
O1 Dy1 N1 67.5(3) 3_665 . ?
O1 Dy1 N1 106.7(3) . . ?
N2 Dy1 N1 63.2(4) . . ?
O3 Dy1 Dy1 117.59(13) . 3_665 ?
O5 Dy1 Dy1 110.95(11) . 3_665 ?
O2 Dy1 Dy1 155.16(13) . 3_665 ?
O4 Dy1 Dy1 81.46(14) . 3_665 ?
O1 Dy1 Dy1 35.62(10) 3_665 3_665 ?
O1 Dy1 Dy1 35.06(11) . 3_665 ?
O6 Dy1 Dy1 77.9(3) . 3_665 ?
N2 Dy1 Dy1 85.1(3) . 3_665 ?
N1 Dy1 Dy1 86.8(3) . 3_665 ?
C2 C1 C6 120.0 . . ?
N2 C2 C1 124.9(9) . . ?
N2 C2 C3 115.0(9) . . ?
C1 C2 C3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 N1 122.8(8) . . ?
C2 C3 N1 117.1(8) . . ?
C3 C4 C5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C5 C6 C1 120.0 . . ?
N1 C7 C13 126.4(11) . . ?
N2 C8 C11 125.2(12) . 3_665 ?
C8 N2 C2 118.5(12) . . ?
C8 N2 Dy1 124.1(9) . . ?
C2 N2 Dy1 116.9(8) . . ?
C7 N1 C3 122.1(11) . . ?
C7 N1 Dy1 126.8(9) . . ?
C3 N1 Dy1 111.1(8) . . ?
C10 C9 C14 120.5(11) . . ?
C9 C10 C11 122.9(13) . . ?
C12 C11 C10 116.9(11) . . ?
C12 C11 C8 118.7(8) . 3_665 ?
C10 C11 C8 124.3(11) . 3_665 ?
O1 C12 C11 119.1(7) 3_665 . ?
O1 C12 C13 119.1(7) 3_665 . ?
C11 C12 C13 121.7(8) . . ?
C14 C13 C12 116.7(10) . . ?
C14 C13 C7 125.3(10) . . ?
C12 C13 C7 117.9(8) . . ?
C9 C14 C13 121.1(12) . . ?
C39 C15 C17 123.0(7) . . ?
O4 C16 C40 125.2(7) . . ?
O4 C16 C25 115.0(7) . . ?
C40 C16 C25 119.8(7) . . ?
O3 C17 C15 125.0(7) . . ?
O3 C17 C44 114.8(7) . . ?
C15 C17 C44 120.1(7) . . ?
C26 C18 C20 117.5(8) . . ?
C26 C18 C39 118.4(7) . . ?
C20 C18 C39 124.1(8) . . ?
C35 C19 C22 120.1(11) . . ?
C38 C20 C18 121.3(10) . . ?
C30 C21 C31 120.1(12) . . ?
C25 C22 C19 120.6(10) . . ?
C27 C23 C42 121.1(9) . . ?
O5 C24 C40 122.4(6) . . ?
O5 C24 C42 116.0(6) . . ?
C40 C24 C42 121.6(6) . . ?
C43 C25 C22 118.5(8) . . ?
C43 C25 C16 118.7(8) . . ?
C22 C25 C16 122.7(8) . . ?
C18 C26 C33 120.7(9) . . ?
C28 C27 C23 121.6(9) . . ?
C27 C28 C36 119.5(9) . . ?
C42 C29 C36 120.7(8) . . ?
C41 C30 C21 121.2(11) . . ?
C44 C31 C21 119.0(10) . . ?
C41 C32 C44 121.9(10) . . ?
C34 C33 C26 120.1(10) . . ?
C38 C34 C33 120.1(10) . . ?
C37 C35 C19 118.3(10) . . ?
C28 C36 C29 119.4(10) . . ?
C35 C37 C43 121.1(11) . . ?
C34 C38 C20 120.3(10) . . ?
O2 C39 C15 124.0(7) . . ?
O2 C39 C18 116.7(7) . . ?
C15 C39 C18 119.2(7) . . ?
C24 C40 C16 125.2(7) . . ?
C30 C41 C32 118.8(11) . . ?
C29 C42 C23 117.8(7) . . ?
C29 C42 C24 119.3(7) . . ?
C23 C42 C24 122.9(7) . . ?
C25 C43 C37 121.3(11) . . ?
C31 C44 C32 118.9(9) . . ?
C31 C44 C17 117.2(8) . . ?
C32 C44 C17 123.8(8) . . ?
C39 O2 Dy1 136.3(5) . . ?
C17 O3 Dy1 136.5(5) . . ?
C16 O4 Dy1 135.1(5) . . ?
C24 O5 Dy1 136.4(4) . . ?
C12 O1 Dy1 126.8(4) 3_665 3_665 ?
C12 O1 Dy1 123.8(4) 3_665 . ?
Dy1 O1 Dy1 109.31(16) 3_665 . ?

_refine_diff_density_max         2.034
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.116

####################################################################### 
# 
# 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_c_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1580022'
_audit_update_record             
;
2017-10-14 deposited with the CCDC.
2017-12-26 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            'C64 H92 Dy2 N2 O11'
_chemical_formula_weight         1390.39

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'

_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                   10.9106(3)
_cell_length_b                   15.6456(4)
_cell_length_c                   21.7835(6)
_cell_angle_alpha                99.568(2)
_cell_angle_beta                 101.358(2)
_cell_angle_gamma                103.932(2)
_cell_volume                     3448.10(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_F_000             1420
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    2.204
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28205
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.999
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14083
_reflns_number_gt                10687
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0421P)²+7.7586P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14083
_refine_ls_number_parameters     713
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.1117
_refine_ls_wR_factor_gt          0.0982
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.003
_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 0.40640(2) 0.22656(2) 0.79811(2) 0.03667(8) Uani 1 1 d . . . . .
Dy2 Dy 0.57065(2) 0.35139(2) 0.68425(2) 0.03956(8) Uani 1 1 d . . . . .
O1 O 0.5618(3) 0.3549(2) 0.79096(16) 0.0378(8) Uani 1 1 d . . . . .
O2 O 0.3970(4) 0.2331(2) 0.69113(17) 0.0472(9) Uani 1 1 d . . . . .
O3 O 0.5604(4) 0.2671(3) 0.89808(18) 0.0513(10) Uani 1 1 d . . . . .
O4 O 0.5582(4) 0.1477(3) 0.78854(18) 0.0544(10) Uani 1 1 d . . . . .
O5 O 0.2718(4) 0.0814(3) 0.7446(2) 0.0582(11) Uani 1 1 d . . . . .
O9 O 0.6074(4) 0.2812(3) 0.59255(19) 0.0621(11) Uani 1 1 d . . . . .
O6 O 0.2993(4) 0.1706(3) 0.86866(19) 0.0548(10) Uani 1 1 d . . . . .
O7 O 0.7821(4) 0.4282(3) 0.6961(2) 0.0594(11) Uani 1 1 d . . . . .
O8 O 0.5841(4) 0.4981(3) 0.7163(2) 0.0584(11) Uani 1 1 d . . . . .
O11 O 0.6813(4) 0.2392(3) 0.7110(2) 0.0584(11) Uani 1 1 d . . . . .
H11B H 0.6870 0.2047 0.6761 0.088 Uiso 1 1 d R U . . .
H11C H 0.6382 0.2043 0.7319 0.088 Uiso 1 1 d R U . . .
N1 N 0.1891(4) 0.2476(3) 0.7503(2) 0.0483(12) Uani 1 1 d . . . . .
N2 N 0.3542(4) 0.3666(3) 0.8494(2) 0.0388(10) Uani 1 1 d . . . . .
O10 O 0.4209(4) 0.3679(3) 0.60294(19) 0.0531(10) Uani 1 1 d . . . . .
C1 C 0.7653(5) 0.4563(4) 0.8481(3) 0.0504(14) Uani 1 1 d . . . . .
H1A H 0.8062 0.4263 0.8216 0.060 Uiso 1 1 calc R U . . .
C17 C 0.1866(7) 0.0226(4) 0.7560(4) 0.0693(19) Uani 1 1 d . . . . .
C2 C 0.4344(5) 0.4434(4) 0.8774(3) 0.0436(12) Uani 1 1 d . . . . .
H2A H 0.4009 0.4868 0.8972 0.052 Uiso 1 1 calc R U . . .
C3 C 0.1262(6) 0.2254(4) 0.6903(3) 0.0598(17) Uani 1 1 d . . . . .
H3A H 0.0451 0.2361 0.6808 0.072 Uiso 1 1 calc R U . . .
C4 C 0.1338(5) 0.2845(4) 0.7974(3) 0.0487(14) Uani 1 1 d . . . . .
C5 C 0.6265(7) 0.2239(4) 0.9264(3) 0.0602(17) Uani 1 1 d . . . . .
C6 C 0.1695(7) 0.1862(4) 0.6375(3) 0.0598(17) Uani 1 1 d . . . . .
C7 C 0.2995(7) 0.1871(4) 0.6396(3) 0.0566(17) Uani 1 1 d . . . . .
C8 C 0.6499(6) 0.5471(4) 0.9278(3) 0.0545(15) Uani 1 1 d . . . . .
H8A H 0.6107 0.5791 0.9540 0.065 Uiso 1 1 calc R U . . .
C9 C 0.2212(5) 0.3498(4) 0.8493(3) 0.0451(13) Uani 1 1 d . . . . .
C10 C 0.5648(7) 0.2731(5) 0.5328(3) 0.0635(17) Uani 1 1 d . . . . .
C11 C 0.8381(6) 0.5310(5) 0.8952(3) 0.0623(17) Uani 1 1 d . . . . .
H11A H 0.9276 0.5510 0.8998 0.075 Uiso 1 1 calc R U . . .
C12 C 0.6305(5) 0.4247(3) 0.8393(2) 0.0380(11) Uani 1 1 d . . . . .
C13 C 0.6928(7) 0.2656(5) 0.9989(3) 0.0692(19) Uani 1 1 d . . . . .
C14 C 0.6723(7) 0.5735(4) 0.7274(3) 0.0629(17) Uani 1 1 d . . . . .
C15 C 0.4644(7) 0.3063(5) 0.5065(3) 0.0645(18) Uani 1 1 d . . . . .
H15A H 0.4415 0.2990 0.4621 0.077 Uiso 1 1 calc R U . . .
C16 C 0.0026(6) 0.2586(5) 0.7961(4) 0.0647(18) Uani 1 1 d . . . . .
H16A H -0.0548 0.2135 0.7623 0.078 Uiso 1 1 calc R U . . .
C18 C 0.1738(6) 0.3905(5) 0.8967(3) 0.0614(16) Uani 1 1 d . . . . .
H18A H 0.2312 0.4348 0.9310 0.074 Uiso 1 1 calc R U . . .
C19 C 0.8500(7) 0.5092(4) 0.7095(3) 0.0616(17) Uani 1 1 d . . . . .
C20 C -0.0435(7) 0.2983(6) 0.8437(4) 0.079(2) Uani 1 1 d . . . . .
H20A H -0.1317 0.2801 0.8426 0.095 Uiso 1 1 calc R U . . .
C21 C 0.0744(8) 0.1439(5) 0.5792(4) 0.087(3) Uani 1 1 d . . . . .
H21A H -0.0114 0.1447 0.5765 0.104 Uiso 1 1 calc R U . . .
C22 C 0.0426(7) 0.3667(6) 0.8940(4) 0.077(2) Uani 1 1 d . . . . .
H22A H 0.0114 0.3960 0.9257 0.093 Uiso 1 1 calc R U . . .
C64 C 0.7999(7) 0.5810(5) 0.7242(4) 0.072(2) Uani 1 1 d . . . . .
H64B H 0.8563 0.6389 0.7327 0.086 Uiso 1 1 calc R U . . .
C23 C 0.1086(8) -0.0594(4) 0.7017(4) 0.075(2) Uani 1 1 d . . . . .
C24 C 0.1539(8) 0.0286(5) 0.8156(4) 0.084(2) Uani 1 1 d . . . . .
H24A H 0.0868 -0.0181 0.8196 0.101 Uiso 1 1 calc R U . . .
C25 C 0.6099(7) 0.1076(4) 0.8302(3) 0.0617(17) Uani 1 1 d . . . . .
C26 C 0.3259(9) 0.1411(4) 0.5857(3) 0.080(2) Uani 1 1 d . . . . .
H26A H 0.4105 0.1384 0.5871 0.096 Uiso 1 1 calc R U . . .
C27 C 0.6443(8) 0.1417(5) 0.8955(4) 0.075(2) Uani 1 1 d . . . . .
H27A H 0.6820 0.1086 0.9214 0.090 Uiso 1 1 calc R U . . .
C28 C 0.3956(6) 0.3500(4) 0.5425(3) 0.0583(16) Uani 1 1 d . . . . .
C29 C 0.1054(11) 0.1022(6) 0.5270(4) 0.107(4) Uani 1 1 d . . . . .
H29A H 0.0413 0.0754 0.4890 0.128 Uiso 1 1 calc R U . . .
C30 C 0.2151(7) 0.0995(5) 0.8690(4) 0.0700(19) Uani 1 1 d . . . . .
C31 C 0.2804(7) 0.3803(5) 0.5076(4) 0.072(2) Uani 1 1 d . . . . .
C32 C 0.9949(7) 0.5250(5) 0.7094(4) 0.079(2) Uani 1 1 d . . . . .
C33 C 0.6327(10) 0.2241(7) 0.4895(4) 0.096(3) Uani 1 1 d . U . . .
C34 C 0.6272(8) 0.0173(4) 0.8024(4) 0.0713(19) Uani 1 1 d . U . . .
C35 C 0.2294(12) 0.0996(6) 0.5303(4) 0.103(3) Uani 1 1 d . . . . .
H35A H 0.2498 0.0695 0.4948 0.123 Uiso 1 1 calc R U . . .
C36 C 0.6276(10) 0.6574(5) 0.7465(5) 0.093(3) Uani 1 1 d . U . . .
C37 C 0.1881(10) 0.0964(8) 0.9361(5) 0.102(3) Uani 1 1 d . U . . .
C38 C 0.3253(11) 0.4492(9) 0.4738(8) 0.186(7) Uani 1 1 d . . . . .
H38A H 0.3743 0.4280 0.4456 0.279 Uiso 1 1 calc R U . . .
H38B H 0.2517 0.4623 0.4492 0.279 Uiso 1 1 calc R U . . .
H38C H 0.3797 0.5031 0.5044 0.279 Uiso 1 1 calc R U . . .
C39 C 0.6399(16) 0.7144(9) 0.7028(7) 0.179(6) Uani 1 1 d . U . . .
H39A H 0.7239 0.7223 0.6935 0.268 Uiso 1 1 calc R U . . .
H39B H 0.5729 0.6876 0.6638 0.268 Uiso 1 1 calc R U . . .
H39C H 0.6315 0.7722 0.7214 0.268 Uiso 1 1 calc R U . . .
C40 C 0.735(2) -0.0037(11) 0.8414(8) 0.272(12) Uani 1 1 d . . . . .
H40A H 0.8145 0.0407 0.8441 0.408 Uiso 1 1 calc R U . . .
H40B H 0.7215 -0.0034 0.8837 0.408 Uiso 1 1 calc R U . . .
H40C H 0.7390 -0.0624 0.8222 0.408 Uiso 1 1 calc R U . . .
C41 C 0.7159(17) 0.7138(10) 0.8114(7) 0.207(6) Uani 1 1 d . U . . .
H41A H 0.7112 0.6781 0.8432 0.310 Uiso 1 1 calc R U . . .
H41B H 0.8042 0.7324 0.8077 0.310 Uiso 1 1 calc R U . . .
H41C H 0.6877 0.7662 0.8240 0.310 Uiso 1 1 calc R U . . .
C42 C 0.653(2) 0.0134(8) 0.7398(7) 0.226(9) Uani 1 1 d . . . . .
H42A H 0.7295 0.0606 0.7425 0.339 Uiso 1 1 calc R U . . .
H42B H 0.6652 -0.0442 0.7244 0.339 Uiso 1 1 calc R U . . .
H42C H 0.5798 0.0212 0.7107 0.339 Uiso 1 1 calc R U . . .
C43 C 1.0314(12) 0.4437(9) 0.7016(12) 0.261(13) Uani 1 1 d . . . . .
H43A H 1.0037 0.4103 0.7320 0.392 Uiso 1 1 calc R U . . .
H43B H 0.9908 0.4081 0.6588 0.392 Uiso 1 1 calc R U . . .
H43C H 1.1244 0.4575 0.7087 0.392 Uiso 1 1 calc R U . . .
C44 C 0.5160(15) -0.0500(9) 0.8011(9) 0.215(7) Uani 1 1 d . U . . .
H44A H 0.5021 -0.0454 0.8435 0.322 Uiso 1 1 calc R U . . .
H44B H 0.4419 -0.0428 0.7725 0.322 Uiso 1 1 calc R U . . .
H44C H 0.5274 -0.1082 0.7863 0.322 Uiso 1 1 calc R U . . .
C45 C 0.5082(15) 0.6368(9) 0.7670(9) 0.205(6) Uani 1 1 d . U . . .
H45A H 0.5135 0.5977 0.7964 0.308 Uiso 1 1 calc R U . . .
H45B H 0.4951 0.6917 0.7879 0.308 Uiso 1 1 calc R U . . .
H45C H 0.4365 0.6072 0.7303 0.308 Uiso 1 1 calc R U . . .
C46 C 0.1693(10) -0.0649(6) 0.6454(5) 0.115(3) Uani 1 1 d . . . . .
H46A H 0.2538 -0.0739 0.6583 0.172 Uiso 1 1 calc R U . . .
H46B H 0.1149 -0.1146 0.6113 0.172 Uiso 1 1 calc R U . . .
H46C H 0.1780 -0.0096 0.6308 0.172 Uiso 1 1 calc R U . . .
C47 C -0.0243(10) -0.0452(7) 0.6789(5) 0.130(4) Uani 1 1 d . . . . .
H47A H -0.0657 -0.0415 0.7139 0.195 Uiso 1 1 calc R U . . .
H47B H -0.0140 0.0098 0.6640 0.195 Uiso 1 1 calc R U . . .
H47C H -0.0772 -0.0951 0.6445 0.195 Uiso 1 1 calc R U . . .
C48 C 0.1844(12) 0.2992(8) 0.4574(7) 0.174(6) Uani 1 1 d . . . . .
H48A H 0.2272 0.2784 0.4258 0.261 Uiso 1 1 calc R U . . .
H48B H 0.1545 0.2514 0.4781 0.261 Uiso 1 1 calc R U . . .
H48C H 0.1113 0.3170 0.4368 0.261 Uiso 1 1 calc R U . . .
C49 C 0.0947(13) -0.1464(6) 0.7255(6) 0.158(5) Uani 1 1 d . . . . .
H49A H 0.0559 -0.1424 0.7614 0.237 Uiso 1 1 calc R U . . .
H49B H 0.0403 -0.1964 0.6915 0.237 Uiso 1 1 calc R U . . .
H49C H 0.1791 -0.1554 0.7385 0.237 Uiso 1 1 calc R U . . .
C50 C 0.6860(16) 0.1982(8) 1.0383(5) 0.186(7) Uani 1 1 d . . . . .
H50A H 0.5963 0.1680 1.0349 0.278 Uiso 1 1 calc R U . . .
H50B H 0.7287 0.1548 1.0236 0.278 Uiso 1 1 calc R U . . .
H50C H 0.7284 0.2276 1.0824 0.278 Uiso 1 1 calc R U . . .
C51 C 1.0330(11) 0.5792(11) 0.6655(8) 0.207(9) Uani 1 1 d . . . . .
H51A H 1.0060 0.6332 0.6728 0.311 Uiso 1 1 calc R U . . .
H51B H 1.1260 0.5949 0.6721 0.311 Uiso 1 1 calc R U . . .
H51C H 0.9925 0.5455 0.6221 0.311 Uiso 1 1 calc R U . . .
C52 C 0.2053(16) 0.4048(13) 0.5516(6) 0.240(11) Uani 1 1 d . . . . .
H52A H 0.1792 0.3559 0.5720 0.360 Uiso 1 1 calc R U . . .
H52B H 0.2574 0.4578 0.5836 0.360 Uiso 1 1 calc R U . . .
H52C H 0.1293 0.4170 0.5285 0.360 Uiso 1 1 calc R U . . .
C53 C 0.635(2) 0.3336(11) 1.0255(5) 0.252(11) Uani 1 1 d . . . . .
H53A H 0.5467 0.3051 1.0258 0.378 Uiso 1 1 calc R U . . .
H53B H 0.6843 0.3628 1.0687 0.378 Uiso 1 1 calc R U . . .
H53C H 0.6357 0.3777 0.9997 0.378 Uiso 1 1 calc R U . . .
C54 C 0.6641(16) 0.1494(10) 0.5138(7) 0.185(6) Uani 1 1 d . U . . .
H54A H 0.7125 0.1705 0.5579 0.278 Uiso 1 1 calc R U . . .
H54B H 0.5851 0.1039 0.5108 0.278 Uiso 1 1 calc R U . . .
H54C H 0.7157 0.1243 0.4889 0.278 Uiso 1 1 calc R U . . .
C55 C 0.8216(13) 0.3141(12) 1.0007(7) 0.217(7) Uani 1 1 d . U . . .
H55A H 0.8657 0.2730 0.9837 0.326 Uiso 1 1 calc R U . . .
H55B H 0.8189 0.3585 0.9753 0.326 Uiso 1 1 calc R U . . .
H55C H 0.8675 0.3436 1.0443 0.326 Uiso 1 1 calc R U . . .
C56 C 0.7598(16) 0.2795(13) 0.4952(9) 0.249(8) Uani 1 1 d . U . . .
H56A H 0.8046 0.3015 0.5398 0.374 Uiso 1 1 calc R U . . .
H56B H 0.8070 0.2450 0.4737 0.374 Uiso 1 1 calc R U . . .
H56C H 0.7540 0.3298 0.4759 0.374 Uiso 1 1 calc R U . . .
C57 C 0.0917(16) 0.0052(11) 0.9338(8) 0.225(7) Uani 1 1 d . U . . .
H57A H 0.1233 -0.0433 0.9163 0.338 Uiso 1 1 calc R U . . .
H57B H 0.0837 0.0015 0.9764 0.338 Uiso 1 1 calc R U . . .
H57C H 0.0080 0.0007 0.9071 0.338 Uiso 1 1 calc R U . . .
C58 C 0.1501(19) 0.1672(11) 0.9601(7) 0.213(7) Uani 1 1 d . U . . .
H58A H 0.0754 0.1708 0.9300 0.319 Uiso 1 1 calc R U . . .
H58B H 0.1280 0.1601 0.9998 0.319 Uiso 1 1 calc R U . . .
H58C H 0.2198 0.2216 0.9676 0.319 Uiso 1 1 calc R U . . .
C59 C 1.0761(12) 0.5761(19) 0.7770(8) 0.324(17) Uani 1 1 d . . . . .
H59A H 1.0585 0.6333 0.7873 0.486 Uiso 1 1 calc R U . . .
H59B H 1.0536 0.5412 0.8075 0.486 Uiso 1 1 calc R U . . .
H59C H 1.1670 0.5858 0.7785 0.486 Uiso 1 1 calc R U . . .
C60 C 0.3039(16) 0.0778(12) 0.9754(7) 0.214(7) Uani 1 1 d . U . . .
H60A H 0.3198 0.0254 0.9524 0.321 Uiso 1 1 calc R U . . .
H60B H 0.3789 0.1289 0.9833 0.321 Uiso 1 1 calc R U . . .
H60C H 0.2871 0.0674 1.0155 0.321 Uiso 1 1 calc R U . . .
C61 C 0.5621(17) 0.1898(13) 0.4249(7) 0.234(7) Uani 1 1 d . U . . .
H61A H 0.4769 0.1527 0.4231 0.352 Uiso 1 1 calc R U . . .
H61B H 0.5542 0.2391 0.4049 0.352 Uiso 1 1 calc R U . . .
H61C H 0.6072 0.1543 0.4027 0.352 Uiso 1 1 calc R U . . .
C62 C 0.7819(6) 0.5766(4) 0.9354(3) 0.0634(18) Uani 1 1 d . . . . .
H62A H 0.8324 0.6268 0.9674 0.076 Uiso 1 1 calc R U . . .
C63 C 0.5720(5) 0.4695(3) 0.8812(2) 0.0421(12) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.270(4) . ?
Dy1 O4 2.312(4) . ?
Dy1 O2 2.333(4) . ?
Dy1 O1 2.344(3) . ?
Dy1 O5 2.348(4) . ?
Dy1 O3 2.357(4) . ?
Dy1 N1 2.517(5) . ?
Dy1 N2 2.531(4) . ?
Dy1 Dy2 3.8539(3) . ?
Dy2 O8 2.245(4) . ?
Dy2 O10 2.256(4) . ?
Dy2 O9 2.270(4) . ?
Dy2 O7 2.272(4) . ?
Dy2 O1 2.338(3) . ?
Dy2 O2 2.356(4) . ?
Dy2 O11 2.442(4) . ?
O1 C12 1.333(6) . ?
O2 C7 1.342(6) . ?
O3 C5 1.248(7) . ?
O4 C25 1.301(7) . ?
O5 C17 1.235(7) . ?
O9 C10 1.267(7) . ?
O6 C30 1.264(8) . ?
O7 C19 1.257(7) . ?
O8 C14 1.282(7) . ?
O11 H11B 0.8780 . ?
O11 H11C 0.8775 . ?
N1 C3 1.295(7) . ?
N1 C4 1.401(8) . ?
N2 C2 1.274(6) . ?
N2 C9 1.411(7) . ?
O10 C28 1.259(7) . ?
C1 C11 1.372(8) . ?
C1 C12 1.397(7) . ?
C1 H1A 0.9300 . ?
C17 C24 1.408(10) . ?
C17 C23 1.531(9) . ?
C2 C63 1.439(7) . ?
C2 H2A 0.9300 . ?
C3 C6 1.429(10) . ?
C3 H3A 0.9300 . ?
C4 C16 1.384(8) . ?
C4 C9 1.398(8) . ?
C5 C27 1.425(9) . ?
C5 C13 1.557(9) . ?
C6 C7 1.408(10) . ?
C6 C21 1.414(8) . ?
C7 C26 1.389(9) . ?
C8 C62 1.370(9) . ?
C8 C63 1.407(7) . ?
C8 H8A 0.9300 . ?
C9 C18 1.375(9) . ?
C10 C15 1.387(9) . ?
C10 C33 1.528(10) . ?
C11 C62 1.367(9) . ?
C11 H11A 0.9300 . ?
C12 C63 1.402(7) . ?
C13 C55 1.417(14) . ?
C13 C53 1.459(14) . ?
C13 C50 1.464(12) . ?
C14 C64 1.386(10) . ?
C14 C36 1.530(10) . ?
C15 C28 1.395(9) . ?
C15 H15A 0.9300 . ?
C16 C20 1.362(11) . ?
C16 H16A 0.9300 . ?
C18 C22 1.377(9) . ?
C18 H18A 0.9300 . ?
C19 C64 1.382(10) . ?
C19 C32 1.541(10) . ?
C20 C22 1.396(11) . ?
C20 H20A 0.9300 . ?
C21 C29 1.358(13) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C64 H64B 0.9300 . ?
C23 C46 1.503(12) . ?
C23 C47 1.519(13) . ?
C23 C49 1.520(11) . ?
C24 C30 1.392(10) . ?
C24 H24A 0.9300 . ?
C25 C27 1.374(9) . ?
C25 C34 1.512(9) . ?
C26 C35 1.378(11) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C31 1.554(9) . ?
C29 C35 1.352(14) . ?
C29 H29A 0.9300 . ?
C30 C37 1.553(11) . ?
C31 C52 1.442(14) . ?
C31 C38 1.447(12) . ?
C31 C48 1.533(13) . ?
C32 C43 1.416(14) . ?
C32 C51 1.437(12) . ?
C32 C59 1.531(16) . ?
C33 C61 1.409(15) . ?
C33 C56 1.418(17) . ?
C33 C54 1.445(15) . ?
C34 C44 1.394(14) . ?
C34 C42 1.438(14) . ?
C34 C40 1.445(14) . ?
C35 H35A 0.9300 . ?
C36 C39 1.413(13) . ?
C36 C45 1.440(15) . ?
C36 C41 1.531(15) . ?
C37 C58 1.337(16) . ?
C37 C60 1.498(16) . ?
C37 C57 1.541(16) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9300 . ?

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
O6 Dy1 O4 105.91(14) . . ?
O6 Dy1 O2 146.47(14) . . ?
O4 Dy1 O2 85.76(14) . . ?
O6 Dy1 O1 141.03(13) . . ?
O4 Dy1 O1 87.62(14) . . ?
O2 Dy1 O1 69.02(12) . . ?
O6 Dy1 O5 73.11(15) . . ?
O4 Dy1 O5 78.47(15) . . ?
O2 Dy1 O5 78.87(13) . . ?
O1 Dy1 O5 145.84(13) . . ?
O6 Dy1 O3 73.63(14) . . ?
O4 Dy1 O3 72.69(14) . . ?
O2 Dy1 O3 139.55(14) . . ?
O1 Dy1 O3 76.11(13) . . ?
O5 Dy1 O3 127.16(14) . . ?
O6 Dy1 N1 82.81(15) . . ?
O4 Dy1 N1 147.60(15) . . ?
O2 Dy1 N1 72.05(15) . . ?
O1 Dy1 N1 105.26(13) . . ?
O5 Dy1 N1 74.36(15) . . ?
O3 Dy1 N1 138.82(15) . . ?
O6 Dy1 N2 80.05(14) . . ?
O4 Dy1 N2 148.77(14) . . ?
O2 Dy1 N2 106.33(13) . . ?
O1 Dy1 N2 70.99(13) . . ?
O5 Dy1 N2 131.53(15) . . ?
O3 Dy1 N2 80.07(13) . . ?
N1 Dy1 N2 62.66(14) . . ?
O6 Dy1 Dy2 171.78(11) . . ?
O4 Dy1 Dy2 81.80(10) . . ?
O2 Dy1 Dy2 34.92(8) . . ?
O1 Dy1 Dy2 34.55(8) . . ?
O5 Dy1 Dy2 111.85(10) . . ?
O3 Dy1 Dy2 106.69(10) . . ?
N1 Dy1 Dy2 92.15(11) . . ?
N2 Dy1 Dy2 91.89(10) . . ?
O8 Dy2 O10 79.39(15) . . ?
O8 Dy2 O9 128.08(16) . . ?
O10 Dy2 O9 74.10(15) . . ?
O8 Dy2 O7 74.11(15) . . ?
O10 Dy2 O7 117.37(16) . . ?
O9 Dy2 O7 79.75(16) . . ?
O8 Dy2 O1 80.85(14) . . ?
O10 Dy2 O1 128.57(13) . . ?
O9 Dy2 O1 149.05(14) . . ?
O7 Dy2 O1 101.72(14) . . ?
O8 Dy2 O2 123.18(15) . . ?
O10 Dy2 O2 83.75(14) . . ?
O9 Dy2 O2 97.45(15) . . ?
O7 Dy2 O2 156.33(15) . . ?
O1 Dy2 O2 68.75(12) . . ?
O8 Dy2 O11 140.86(15) . . ?
O10 Dy2 O11 138.99(14) . . ?
O9 Dy2 O11 72.27(15) . . ?
O7 Dy2 O11 78.72(15) . . ?
O1 Dy2 O11 77.69(13) . . ?
O2 Dy2 O11 78.07(14) . . ?
O8 Dy2 Dy1 106.81(11) . . ?
O10 Dy2 Dy1 111.14(11) . . ?
O9 Dy2 Dy1 124.14(12) . . ?
O7 Dy2 Dy1 130.50(11) . . ?
O1 Dy2 Dy1 34.66(8) . . ?
O2 Dy2 Dy1 34.53(8) . . ?
O11 Dy2 Dy1 71.09(10) . . ?
C12 O1 Dy2 122.9(3) . . ?
C12 O1 Dy1 126.1(3) . . ?
Dy2 O1 Dy1 110.79(12) . . ?
C7 O2 Dy1 127.0(3) . . ?
C7 O2 Dy2 121.8(3) . . ?
Dy1 O2 Dy2 110.56(13) . . ?
C5 O3 Dy1 131.7(4) . . ?
C25 O4 Dy1 127.4(4) . . ?
C17 O5 Dy1 136.5(5) . . ?
C10 O9 Dy2 136.4(4) . . ?
C30 O6 Dy1 137.6(4) . . ?
C19 O7 Dy2 137.5(4) . . ?
C14 O8 Dy2 136.2(4) . . ?
Dy2 O11 H11B 111.0 . . ?
Dy2 O11 H11C 110.4 . . ?
H11B O11 H11C 108.0 . . ?
C3 N1 C4 120.2(5) . . ?
C3 N1 Dy1 127.6(5) . . ?
C4 N1 Dy1 112.1(3) . . ?
C2 N2 C9 120.4(5) . . ?
C2 N2 Dy1 127.3(4) . . ?
C9 N2 Dy1 112.1(3) . . ?
C28 O10 Dy2 136.8(4) . . ?
C11 C1 C12 120.9(6) . . ?
C11 C1 H1A 119.5 . . ?
C12 C1 H1A 119.5 . . ?
O5 C17 C24 123.5(7) . . ?
O5 C17 C23 118.4(7) . . ?
C24 C17 C23 118.0(6) . . ?
N2 C2 C63 126.1(5) . . ?
N2 C2 H2A 117.0 . . ?
C63 C2 H2A 117.0 . . ?
N1 C3 C6 126.3(6) . . ?
N1 C3 H3A 116.8 . . ?
C6 C3 H3A 116.8 . . ?
C16 C4 C9 119.8(6) . . ?
C16 C4 N1 124.5(6) . . ?
C9 C4 N1 115.7(5) . . ?
O3 C5 C27 123.3(6) . . ?
O3 C5 C13 116.2(6) . . ?
C27 C5 C13 120.5(6) . . ?
C7 C6 C21 118.1(7) . . ?
C7 C6 C3 124.5(5) . . ?
C21 C6 C3 117.4(7) . . ?
O2 C7 C26 120.2(7) . . ?
O2 C7 C6 121.6(6) . . ?
C26 C7 C6 118.1(6) . . ?
C62 C8 C63 121.6(6) . . ?
C62 C8 H8A 119.2 . . ?
C63 C8 H8A 119.2 . . ?
C18 C9 C4 119.0(6) . . ?
C18 C9 N2 124.9(5) . . ?
C4 C9 N2 116.0(5) . . ?
O9 C10 C15 123.9(6) . . ?
O9 C10 C33 115.6(6) . . ?
C15 C10 C33 120.5(6) . . ?
C62 C11 C1 121.4(6) . . ?
C62 C11 H11A 119.3 . . ?
C1 C11 H11A 119.3 . . ?
O1 C12 C1 119.4(5) . . ?
O1 C12 C63 122.3(5) . . ?
C1 C12 C63 118.3(5) . . ?
C55 C13 C53 105.1(12) . . ?
C55 C13 C50 113.9(11) . . ?
C53 C13 C50 107.8(11) . . ?
C55 C13 C5 105.1(8) . . ?
C53 C13 C5 111.7(7) . . ?
C50 C13 C5 113.1(7) . . ?
O8 C14 C64 124.0(6) . . ?
O8 C14 C36 114.9(7) . . ?
C64 C14 C36 121.1(7) . . ?
C10 C15 C28 124.1(6) . . ?
C10 C15 H15A 118.0 . . ?
C28 C15 H15A 118.0 . . ?
C20 C16 C4 120.8(7) . . ?
C20 C16 H16A 119.6 . . ?
C4 C16 H16A 119.6 . . ?
C9 C18 C22 120.9(7) . . ?
C9 C18 H18A 119.6 . . ?
C22 C18 H18A 119.6 . . ?
O7 C19 C64 122.9(6) . . ?
O7 C19 C32 116.2(6) . . ?
C64 C19 C32 120.9(6) . . ?
C16 C20 C22 119.6(7) . . ?
C16 C20 H20A 120.2 . . ?
C22 C20 H20A 120.2 . . ?
C29 C21 C6 121.6(9) . . ?
C29 C21 H21A 119.2 . . ?
C6 C21 H21A 119.2 . . ?
C18 C22 C20 119.8(7) . . ?
C18 C22 H22A 120.1 . . ?
C20 C22 H22A 120.1 . . ?
C19 C64 C14 125.1(6) . . ?
C19 C64 H64B 117.4 . . ?
C14 C64 H64B 117.4 . . ?
C46 C23 C47 107.4(8) . . ?
C46 C23 C49 110.0(9) . . ?
C47 C23 C49 110.4(8) . . ?
C46 C23 C17 111.8(6) . . ?
C47 C23 C17 106.2(7) . . ?
C49 C23 C17 111.0(7) . . ?
C30 C24 C17 124.5(7) . . ?
C30 C24 H24A 117.8 . . ?
C17 C24 H24A 117.8 . . ?
O4 C25 C27 123.8(6) . . ?
O4 C25 C34 115.5(6) . . ?
C27 C25 C34 120.7(6) . . ?
C35 C26 C7 121.5(9) . . ?
C35 C26 H26A 119.3 . . ?
C7 C26 H26A 119.3 . . ?
C25 C27 C5 125.0(6) . . ?
C25 C27 H27A 117.5 . . ?
C5 C27 H27A 117.5 . . ?
O10 C28 C15 124.2(6) . . ?
O10 C28 C31 116.2(6) . . ?
C15 C28 C31 119.5(6) . . ?
C35 C29 C21 119.9(8) . . ?
C35 C29 H29A 120.0 . . ?
C21 C29 H29A 120.0 . . ?
O6 C30 C24 124.3(7) . . ?
O6 C30 C37 113.5(7) . . ?
C24 C30 C37 122.2(7) . . ?
C52 C31 C38 114.4(11) . . ?
C52 C31 C48 104.1(11) . . ?
C38 C31 C48 107.4(10) . . ?
C52 C31 C28 110.3(7) . . ?
C38 C31 C28 111.2(7) . . ?
C48 C31 C28 109.1(7) . . ?
C43 C32 C51 113.0(12) . . ?
C43 C32 C59 102.6(13) . . ?
C51 C32 C59 107.4(13) . . ?
C43 C32 C19 112.5(7) . . ?
C51 C32 C19 112.8(7) . . ?
C59 C32 C19 107.8(8) . . ?
C61 C33 C56 112.0(13) . . ?
C61 C33 C54 107.3(12) . . ?
C56 C33 C54 100.1(12) . . ?
C61 C33 C10 115.3(9) . . ?
C56 C33 C10 109.9(9) . . ?
C54 C33 C10 111.0(8) . . ?
C44 C34 C42 111.7(12) . . ?
C44 C34 C40 105.6(12) . . ?
C42 C34 C40 106.0(12) . . ?
C44 C34 C25 108.1(9) . . ?
C42 C34 C25 112.1(7) . . ?
C40 C34 C25 113.2(8) . . ?
C29 C35 C26 120.6(9) . . ?
C29 C35 H35A 119.7 . . ?
C26 C35 H35A 119.7 . . ?
C39 C36 C45 118.5(12) . . ?
C39 C36 C14 112.1(9) . . ?
C45 C36 C14 112.6(8) . . ?
C39 C36 C41 105.9(11) . . ?
C45 C36 C41 97.0(11) . . ?
C14 C36 C41 109.0(9) . . ?
C58 C37 C60 118.6(14) . . ?
C58 C37 C57 112.7(12) . . ?
C60 C37 C57 95.2(11) . . ?
C58 C37 C30 112.3(9) . . ?
C60 C37 C30 106.2(9) . . ?
C57 C37 C30 110.4(10) . . ?
C31 C38 H38A 109.5 . . ?
C31 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C31 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C34 C40 H40A 109.5 . . ?
C34 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C34 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C34 C42 H42A 109.5 . . ?
C34 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C34 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C32 C43 H43A 109.5 . . ?
C32 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C32 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C34 C44 H44A 109.5 . . ?
C34 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C34 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C36 C45 H45A 109.5 . . ?
C36 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C36 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C23 C46 H46A 109.5 . . ?
C23 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C23 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C23 C47 H47A 109.5 . . ?
C23 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C23 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C31 C48 H48A 109.5 . . ?
C31 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C31 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C23 C49 H49A 109.5 . . ?
C23 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C23 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C13 C50 H50A 109.5 . . ?
C13 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C13 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C32 C51 H51A 109.5 . . ?
C32 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C32 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C31 C52 H52A 109.5 . . ?
C31 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C31 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C13 C53 H53A 109.5 . . ?
C13 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C13 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C33 C54 H54A 109.5 . . ?
C33 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C33 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C13 C55 H55A 109.5 . . ?
C13 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C13 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C33 C56 H56A 109.5 . . ?
C33 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C33 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C37 C57 H57A 109.5 . . ?
C37 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C37 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C37 C58 H58A 109.5 . . ?
C37 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C37 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C32 C59 H59A 109.5 . . ?
C32 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C32 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C37 C60 H60A 109.5 . . ?
C37 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C37 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C33 C61 H61A 109.5 . . ?
C33 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C33 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C11 C62 C8 118.8(6) . . ?
C11 C62 H62A 120.6 . . ?
C8 C62 H62A 120.6 . . ?
C12 C63 C8 118.8(5) . . ?
C12 C63 C2 123.7(5) . . ?
C8 C63 C2 117.4(5) . . ?

_refine_diff_density_max         1.994
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.102

####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1580019'
_audit_update_record             
;
2017-10-14 deposited with the CCDC.
2017-12-26 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            'C72 H56 Cl4 Dy2 N4 O9'
_chemical_formula_weight         1588.00

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'
O O 0.0106 0.0060 '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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   14.5365(11)
_cell_length_b                   15.8905(11)
_cell_length_c                   17.8411(10)
_cell_angle_alpha                89.709(5)
_cell_angle_beta                 66.703(6)
_cell_angle_gamma                63.250(7)
_cell_volume                     3304.0(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_F_000             1576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    2.466
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27801
_diffrn_reflns_av_unetI/netI     0.0869
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.945
_diffrn_reflns_theta_max         29.055
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             14877
_reflns_number_gt                9938
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0495P)²+5.5298P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14877
_refine_ls_number_parameters     820
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0550
_refine_ls_wR_factor_ref         0.1526
_refine_ls_wR_factor_gt          0.1231
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.002

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 0.07006(3) 0.79558(2) 0.24117(2) 0.03671(10) Uani 1 1 d . . . . .
Dy2 Dy -0.04310(3) 0.85399(2) 0.07441(2) 0.03676(10) Uani 1 1 d . . . . .
O7 O -0.2074(4) 0.9681(4) 0.0863(3) 0.0587(15) Uani 1 1 d . . . . .
O8 O 0.0515(4) 0.8417(3) -0.0620(3) 0.0415(11) Uani 1 1 d . . . . .
O6 O 0.2589(4) 0.7590(4) 0.1871(3) 0.0477(12) Uani 1 1 d . . . . .
O4 O 0.0698(4) 0.9408(3) 0.2176(3) 0.0463(12) Uani 1 1 d . . . . .
O3 O -0.0579(4) 0.9076(4) 0.3656(3) 0.0467(12) Uani 1 1 d . . . . .
O1 O -0.0918(4) 0.8663(3) 0.2176(3) 0.0394(11) Uani 1 1 d . . . . .
O5 O 0.1410(5) 0.7194(4) 0.3337(3) 0.0487(12) Uani 1 1 d . . . . .
C16 C -0.1993(6) 0.9040(6) 0.2777(4) 0.0471(19) Uani 1 1 d . . . . .
C39 C -0.3961(9) 1.0894(9) 0.1236(7) 0.102(4) Uani 1 1 d . . . . .
H39 H -0.3704 1.1328 0.1038 0.122 Uiso 1 1 calc R U . . .
N2 N 0.1642(6) 0.6165(4) 0.1810(4) 0.0494(16) Uani 1 1 d . . . . .
C60 C 0.4575(7) 0.6966(6) 0.1389(5) 0.0506(19) Uani 1 1 d . . . . .
N1 N -0.0485(6) 0.7127(5) 0.3035(4) 0.0512(16) Uani 1 1 d . . . . .
C17 C -0.2814(7) 0.9974(7) 0.2848(5) 0.063(2) Uani 1 1 d . . . . .
H17 H -0.2595 1.0356 0.2502 0.075 Uiso 1 1 calc R U . . .
C61 C 0.3459(7) 0.7021(5) 0.1973(5) 0.0462(17) Uani 1 1 d . . . . .
N4 N 0.0343(5) 0.6854(4) 0.0072(4) 0.0461(15) Uani 1 1 d . . . . .
C51 C -0.1429(7) 1.0821(5) 0.5355(5) 0.0490(18) Uani 1 1 d . . . . .
H51 H -0.0832 1.0962 0.5119 0.059 Uiso 1 1 calc R U . . .
C35 C -0.3573(7) 0.9295(7) 0.1463(5) 0.061(2) Uani 1 1 d . . . . .
C7 C 0.2410(7) 0.5736(6) 0.1081(6) 0.055(2) Uani 1 1 d . . . . .
H7 H 0.2730 0.5069 0.0966 0.066 Uiso 1 1 calc R U . . .
C18 C -0.3938(8) 1.0346(8) 0.3415(6) 0.078(3) Uani 1 1 d . . . . .
H18 H -0.4470 1.0978 0.3461 0.094 Uiso 1 1 calc R U . . .
C21 C -0.0082(7) 0.6358(5) 0.0658(5) 0.0459(18) Uani 1 1 d . . . . .
C47 C 0.0334(6) 1.0195(5) 0.2631(4) 0.0403(16) Uani 1 1 d . . . . .
C48 C -0.0400(7) 1.0485(5) 0.3479(5) 0.0488(18) Uani 1 1 d . . . . .
H48 H -0.0623 1.1088 0.3755 0.059 Uiso 1 1 calc R U . . .
C55 C 0.4587(8) 0.7422(8) 0.0731(6) 0.080(3) Uani 1 1 d . . . . .
H55 H 0.3931 0.7745 0.0648 0.096 Uiso 1 1 calc R U . . .
C5 C 0.3897(8) 0.5530(7) -0.0275(6) 0.066(2) Uani 1 1 d . . . . .
H5 H 0.4262 0.4874 -0.0282 0.079 Uiso 1 1 calc R U . . .
C4 C 0.4378(8) 0.5880(7) -0.0922(6) 0.070(3) Uani 1 1 d . . . . .
H4 H 0.5091 0.5467 -0.1358 0.084 Uiso 1 1 calc R U . . .
C19 C -0.4280(8) 0.9780(9) 0.3919(6) 0.086(3) Uani 1 1 d . . . . .
H19 H -0.5047 1.0022 0.4292 0.103 Uiso 1 1 calc R U . . .
C6 C 0.2855(6) 0.6149(5) 0.0403(5) 0.0461(18) Uani 1 1 d . . . . .
C50 C -0.1621(7) 1.0314(6) 0.4850(5) 0.0489(18) Uani 1 1 d . . . . .
C24 C -0.1042(10) 0.5557(8) 0.1894(6) 0.075(3) Uani 1 1 d . . . . .
H24 H -0.1361 0.5283 0.2312 0.090 Uiso 1 1 calc R U . . .
C40 C -0.3153(7) 0.9927(7) 0.1167(5) 0.063(2) Uani 1 1 d . . . . .
C1 C -0.2116(7) 1.1112(6) 0.6197(5) 0.060(2) Uani 1 1 d . . . . .
H1 H -0.1971 1.1437 0.6530 0.073 Uiso 1 1 calc R U . . .
C49 C -0.0817(6) 0.9923(5) 0.3936(4) 0.0404(16) Uani 1 1 d . . . . .
N3 N -0.1777(6) 0.7887(5) 0.1212(4) 0.0494(16) Uani 1 1 d . . . . .
C45 C 0.0187(9) 1.1842(7) 0.2492(6) 0.072(3) Uani 1 1 d . . . . .
H45 H -0.0507 1.2122 0.2972 0.087 Uiso 1 1 calc R U . . .
C32 C 0.1930(8) 0.7995(7) -0.1989(5) 0.068(3) Uani 1 1 d . . . . .
H32 H 0.1744 0.8639 -0.1964 0.082 Uiso 1 1 d R U . . .
C63 C 0.2391(8) 0.6617(6) 0.3245(5) 0.056(2) Uani 1 1 d . . . . .
C22 C -0.1216(8) 0.6914(6) 0.1264(5) 0.053(2) Uani 1 1 d . . . . .
C46 C 0.0757(7) 1.0865(6) 0.2209(5) 0.0475(19) Uani 1 1 d . . . . .
C15 C -0.2324(7) 0.8483(7) 0.3324(4) 0.050(2) Uani 1 1 d . . . . .
C3 C 0.3827(8) 0.6832(8) -0.0938(5) 0.069(3) Uani 1 1 d . . . . .
H3 H 0.4161 0.7061 -0.1391 0.083 Uiso 1 1 calc R U . . .
C14 C -0.1561(8) 0.7510(7) 0.3330(5) 0.059(2) Uani 1 1 d . . . . .
H14 H -0.1892 0.7134 0.3572 0.070 Uiso 1 1 calc R U . . .
C23 C -0.1691(9) 0.6496(8) 0.1893(6) 0.070(3) Uani 1 1 d . . . . .
H23 H -0.2440 0.6858 0.2305 0.084 Uiso 1 1 calc R U . . .
C33 C 0.1326(7) 0.7745(6) -0.1297(5) 0.0484(18) Uani 1 1 d . . . . .
C37 C -0.5507(10) 1.0545(11) 0.1837(8) 0.112(5) Uani 1 1 d . . . . .
H37 H -0.6283 1.0740 0.2032 0.135 Uiso 1 1 calc R U . . .
C2 C 0.2778(7) 0.7459(6) -0.0290(5) 0.052(2) Uani 1 1 d . . . . .
H2 H 0.2415 0.8107 -0.0309 0.063 Uiso 1 1 calc R U . . .
C26 C 0.0548(9) 0.5405(6) 0.0692(6) 0.067(3) Uani 1 1 d . . . . .
H26 H 0.1307 0.5035 0.0299 0.080 Uiso 1 1 calc R U . . .
C62 C 0.3419(8) 0.6472(6) 0.2585(5) 0.061(2) Uani 1 1 d . . . . .
H62 H 0.4108 0.5985 0.2555 0.073 Uiso 1 1 calc R U . . .
C29 C 0.2486(8) 0.6105(7) -0.2082(6) 0.074(3) Uani 1 1 d . . . . .
H29 H 0.2674 0.5460 -0.2117 0.089 Uiso 1 1 calc R U . . .
C12 C -0.0160(11) 0.5677(8) 0.3650(7) 0.088(3) Uani 1 1 d . . . . .
H12 H -0.0898 0.6016 0.4082 0.105 Uiso 1 1 calc R U . . .
C59 C 0.5547(8) 0.6503(7) 0.1491(6) 0.066(2) Uani 1 1 d . . . . .
H59 H 0.5536 0.6200 0.1939 0.079 Uiso 1 1 calc R U . . .
C20 C -0.3488(8) 0.8863(9) 0.3867(5) 0.071(3) Uani 1 1 d . . . . .
H20 H -0.3728 0.8482 0.4201 0.086 Uiso 1 1 calc R U . . .
C27 C 0.1089(7) 0.6394(6) -0.0670(5) 0.0506(19) Uani 1 1 d . . . . .
H27 H 0.1314 0.5743 -0.0789 0.061 Uiso 1 1 calc R U . . .
C52 C -0.3010(9) 1.0930(8) 0.6554(6) 0.092(4) Uani 1 1 d . . . . .
H52 H -0.3469 1.1126 0.7127 0.111 Uiso 1 1 calc R U . . .
C54 C -0.2514(8) 1.0134(8) 0.5200(6) 0.078(3) Uani 1 1 d . . . . .
H54 H -0.2651 0.9798 0.4869 0.093 Uiso 1 1 calc R U . . .
C8 C 0.1298(8) 0.5646(6) 0.2415(6) 0.057(2) Uani 1 1 d . . . . .
C28 C 0.1624(7) 0.6764(6) -0.1344(5) 0.0481(18) Uani 1 1 d . . . . .
C36 C -0.4768(9) 0.9635(10) 0.1792(7) 0.093(4) Uani 1 1 d . . . . .
H36 H -0.5046 0.9212 0.1984 0.112 Uiso 1 1 calc R U . . .
C44 C 0.0596(13) 1.2413(9) 0.2097(8) 0.110(5) Uani 1 1 d . . . . .
H44 H 0.0192 1.3075 0.2306 0.132 Uiso 1 1 calc R U . . .
C42 C 0.2179(12) 1.1055(11) 0.1063(7) 0.108(4) Uani 1 1 d . . . . .
H42 H 0.2849 1.0793 0.0565 0.129 Uiso 1 1 calc R U . . .
C64 C 0.2494(9) 0.6046(8) 0.3920(6) 0.072(3) Uani 1 1 d . . . . .
C34 C -0.2876(8) 0.8327(7) 0.1468(5) 0.063(2) Uani 1 1 d . . . . .
H34 H -0.3246 0.7970 0.1677 0.075 Uiso 1 1 calc R U . . .
C57 C 0.6578(9) 0.6900(9) 0.0296(8) 0.095(4) Uani 1 1 d . . . . .
H57 H 0.7256 0.6869 -0.0086 0.114 Uiso 1 1 calc R U . . .
C31 C 0.2787(10) 0.7340(8) -0.2705(6) 0.089(3) Uani 1 1 d . . . . .
H31 H 0.3182 0.7537 -0.3155 0.107 Uiso 1 1 calc R U . . .
C58 C 0.6563(8) 0.6473(7) 0.0935(6) 0.074(3) Uani 1 1 d . . . . .
H58 H 0.7224 0.6156 0.1013 0.088 Uiso 1 1 calc R U . . .
C41 C 0.1751(9) 1.0454(8) 0.1485(6) 0.079(3) Uani 1 1 d . . . . .
H41 H 0.2139 0.9794 0.1271 0.095 Uiso 1 1 calc R U . . .
C13 C 0.0187(9) 0.6143(6) 0.3060(6) 0.063(2) Uani 1 1 d . . . . .
O2 O 0.1213(4) 0.7729(3) 0.0988(3) 0.0355(10) Uani 1 1 d . . . . .
O9 O 0.0059(4) 0.9744(3) 0.0863(3) 0.0489(13) Uani 1 1 d . . . . .
H9A H 0.0300 0.9679 0.1239 0.073 Uiso 1 1 d R U . . .
H9B H -0.0278 1.0345 0.0899 0.073 Uiso 1 1 d R U . . .
C9 C 0.2257(6) 0.7138(5) 0.0389(4) 0.0388(16) Uani 1 1 d . . . . .
C25 C 0.0055(10) 0.5007(7) 0.1305(7) 0.075(3) Uani 1 1 d . . . . .
H25 H 0.0472 0.4363 0.1316 0.090 Uiso 1 1 calc R U . . .
C10 C 0.2014(10) 0.4700(6) 0.2410(7) 0.085(3) Uani 1 1 d . . . . .
H10 H 0.2770 0.4379 0.2001 0.102 Uiso 1 1 calc R U . . .
C30 C 0.3068(10) 0.6372(9) -0.2758(6) 0.097(4) Uani 1 1 d . . . . .
H30 H 0.3642 0.5917 -0.3246 0.117 Uiso 1 1 calc R U . . .
C65 C 0.1689(10) 0.6475(9) 0.4712(7) 0.090(3) Uani 1 1 d . . . . .
H65 H 0.1078 0.7090 0.4826 0.108 Uiso 1 1 calc R U . . .
C53 C -0.3228(10) 1.0455(9) 0.6062(6) 0.105(4) Uani 1 1 d . . . . .
H53 H -0.3851 1.0346 0.6299 0.126 Uiso 1 1 calc R U . . .
C11 C 0.1622(14) 0.4231(9) 0.3001(10) 0.117(5) Uani 1 1 d . . . . .
H11 H 0.2087 0.3584 0.2976 0.140 Uiso 1 1 calc R U . . .
C56 C 0.5607(10) 0.7384(10) 0.0197(8) 0.114(5) Uani 1 1 d . . . . .
H56 H 0.5627 0.7700 -0.0244 0.137 Uiso 1 1 calc R U . . .
C69 C 0.3353(12) 0.5116(10) 0.3749(8) 0.126(5) Uani 1 1 d . . . . .
H69 H 0.3914 0.4814 0.3205 0.151 Uiso 1 1 calc R U . . .
C1A C 0.0486(18) 0.4761(10) 0.3654(10) 0.138(7) Uani 1 1 d . . . . .
H1A H 0.0200 0.4474 0.4075 0.166 Uiso 1 1 calc R U . . .
C43 C 0.1603(15) 1.2011(12) 0.1393(9) 0.123(6) Uani 1 1 d . . . . .
H43 H 0.1902 1.2400 0.1133 0.147 Uiso 1 1 calc R U . . .
Cl3 Cl -0.4331(5) 0.6501(5) 0.3604(3) 0.226(3) Uani 1 1 d D . . . .
Cl2 Cl -0.5530(8) 0.7601(6) 0.5122(4) 0.340(5) Uani 1 1 d D . . . .
C38 C -0.5112(10) 1.1197(10) 0.1589(8) 0.120(5) Uani 1 1 d . . . . .
H38 H -0.5633 1.1842 0.1664 0.144 Uiso 1 1 calc R U . . .
C66 C 0.1767(15) 0.5998(13) 0.5365(8) 0.132(6) Uani 1 1 d . . . . .
H66 H 0.1245 0.6315 0.5915 0.159 Uiso 1 1 calc R U . . .
C68 C 0.3384(16) 0.4613(14) 0.4409(14) 0.177(9) Uani 1 1 d . . . . .
H68 H 0.3936 0.3971 0.4304 0.212 Uiso 1 1 calc R U . . .
C67 C 0.2583(17) 0.5100(18) 0.5196(13) 0.167(9) Uani 1 1 d . . . . .
H67 H 0.2610 0.4788 0.5635 0.200 Uiso 1 1 calc R U . . .
C70 C -0.5741(14) 0.674(2) 0.4591(16) 0.36(2) Uani 1 1 d . . . . .
H70A H -0.6429 0.7043 0.4505 0.427 Uiso 1 1 calc R U . . .
H70B H -0.5679 0.6186 0.4839 0.427 Uiso 1 1 calc R U . . .
Cl1 Cl 0.2615(4) 1.2288(4) 0.4428(3) 0.1553(16) Uani 1 1 d . . . . .
Cl4 Cl 0.1231(4) 1.1932(4) 0.3836(3) 0.1651(18) Uani 1 1 d . . . . .
C71 C 0.1302(13) 1.2273(11) 0.4732(9) 0.141(6) Uani 1 1 d . . . . .
H71A H 0.1265 1.1819 0.5094 0.169 Uiso 1 1 calc R U . . .
H71B H 0.0659 1.2907 0.5037 0.169 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.298(5) . ?
Dy1 O3 2.313(5) . ?
Dy1 O1 2.318(4) . ?
Dy1 O2 2.325(4) . ?
Dy1 O5 2.336(5) . ?
Dy1 O4 2.343(5) . ?
Dy1 N1 2.540(6) . ?
Dy1 N2 2.547(6) . ?
Dy1 Dy2 3.8586(5) . ?
Dy2 O7 2.177(5) . ?
Dy2 O8 2.229(4) . ?
Dy2 O1 2.349(4) . ?
Dy2 O9 2.359(5) . ?
Dy2 O2 2.368(4) . ?
Dy2 N3 2.476(6) . ?
Dy2 N4 2.477(6) . ?
O7 C40 1.299(9) . ?
O8 C33 1.320(9) . ?
O6 C61 1.265(8) . ?
O4 C47 1.256(8) . ?
O3 C49 1.277(8) . ?
O1 C16 1.338(8) . ?
O5 C63 1.241(9) . ?
C16 C17 1.389(11) . ?
C16 C15 1.405(10) . ?
C39 C38 1.369(13) . ?
C39 C40 1.421(13) . ?
C39 H39 0.9300 . ?
N2 C7 1.256(10) . ?
N2 C8 1.424(10) . ?
C60 C59 1.355(11) . ?
C60 C55 1.375(11) . ?
C60 C61 1.504(11) . ?
N1 C14 1.261(10) . ?
N1 C13 1.435(10) . ?
C17 C18 1.368(12) . ?
C17 H17 0.9300 . ?
C61 C62 1.394(10) . ?
N4 C27 1.274(9) . ?
N4 C21 1.420(9) . ?
C51 C1 1.368(10) . ?
C51 C50 1.395(10) . ?
C51 H51 0.9300 . ?
C35 C40 1.397(12) . ?
C35 C34 1.414(12) . ?
C35 C36 1.416(12) . ?
C7 C6 1.439(11) . ?
C7 H7 0.9300 . ?
C18 C19 1.380(14) . ?
C18 H18 0.9300 . ?
C21 C26 1.389(11) . ?
C21 C22 1.397(11) . ?
C47 C48 1.389(10) . ?
C47 C46 1.514(9) . ?
C48 C49 1.385(9) . ?
C48 H48 0.9300 . ?
C55 C56 1.383(12) . ?
C55 H55 0.9300 . ?
C5 C4 1.356(13) . ?
C5 C6 1.395(11) . ?
C5 H5 0.9300 . ?
C4 C3 1.363(13) . ?
C4 H4 0.9300 . ?
C19 C20 1.365(14) . ?
C19 H19 0.9300 . ?
C6 C9 1.418(10) . ?
C50 C54 1.359(11) . ?
C50 C49 1.504(10) . ?
C24 C25 1.357(14) . ?
C24 C23 1.361(13) . ?
C24 H24 0.9300 . ?
C1 C52 1.364(12) . ?
C1 H1 0.9300 . ?
N3 C34 1.292(10) . ?
N3 C22 1.410(10) . ?
C45 C44 1.350(12) . ?
C45 C46 1.367(12) . ?
C45 H45 0.9300 . ?
C32 C31 1.362(12) . ?
C32 C33 1.380(10) . ?
C32 H32 0.9301 . ?
C63 C62 1.405(11) . ?
C63 C64 1.519(11) . ?
C22 C23 1.403(10) . ?
C46 C41 1.366(12) . ?
C15 C20 1.398(11) . ?
C15 C14 1.444(12) . ?
C3 C2 1.380(11) . ?
C3 H3 0.9300 . ?
C14 H14 0.9300 . ?
C23 H23 0.9300 . ?
C33 C28 1.410(10) . ?
C37 C36 1.337(16) . ?
C37 C38 1.389(17) . ?
C37 H37 0.9300 . ?
C2 C9 1.384(10) . ?
C2 H2 0.9300 . ?
C26 C25 1.375(12) . ?
C26 H26 0.9300 . ?
C62 H62 0.9300 . ?
C29 C30 1.364(13) . ?
C29 C28 1.389(11) . ?
C29 H29 0.9300 . ?
C12 C1A 1.331(16) . ?
C12 C13 1.349(11) . ?
C12 H12 0.9300 . ?
C59 C58 1.395(12) . ?
C59 H59 0.9300 . ?
C20 H20 0.9300 . ?
C27 C28 1.435(10) . ?
C27 H27 0.9300 . ?
C52 C53 1.372(13) . ?
C52 H52 0.9300 . ?
C54 C53 1.403(12) . ?
C54 H54 0.9300 . ?
C8 C10 1.389(11) . ?
C8 C13 1.396(12) . ?
C36 H36 0.9300 . ?
C44 C43 1.357(18) . ?
C44 H44 0.9300 . ?
C42 C43 1.353(18) . ?
C42 C41 1.422(13) . ?
C42 H42 0.9300 . ?
C64 C65 1.347(14) . ?
C64 C69 1.371(15) . ?
C34 H34 0.9300 . ?
C57 C58 1.321(13) . ?
C57 C56 1.354(14) . ?
C57 H57 0.9300 . ?
C31 C30 1.396(14) . ?
C31 H31 0.9300 . ?
C58 H58 0.9300 . ?
C41 H41 0.9300 . ?
O2 C9 1.331(8) . ?
O9 H9A 0.8572 . ?
O9 H9B 0.8431 . ?
C25 H25 0.9300 . ?
C10 C11 1.376(15) . ?
C10 H10 0.9300 . ?
C30 H30 0.9300 . ?
C65 C66 1.400(15) . ?
C65 H65 0.9300 . ?
C53 H53 0.9300 . ?
C11 C1A 1.425(19) . ?
C11 H11 0.9300 . ?
C56 H56 0.9300 . ?
C69 C68 1.424(17) . ?
C69 H69 0.9300 . ?
C1A H1A 0.9300 . ?
C43 H43 0.9300 . ?
Cl3 C70 1.97(2) . ?
Cl2 C70 1.86(2) . ?
C38 H38 0.9300 . ?
C66 C67 1.32(2) . ?
C66 H66 0.9300 . ?
C68 C67 1.35(2) . ?
C68 H68 0.9300 . ?
C67 H67 0.9300 . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
Cl1 C71 1.778(14) . ?
Cl4 C71 1.745(13) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?

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
O6 Dy1 O3 117.97(17) . . ?
O6 Dy1 O1 143.22(15) . . ?
O3 Dy1 O1 80.65(17) . . ?
O6 Dy1 O2 78.86(16) . . ?
O3 Dy1 O2 142.57(16) . . ?
O1 Dy1 O2 69.43(15) . . ?
O6 Dy1 O5 72.90(17) . . ?
O3 Dy1 O5 78.01(18) . . ?
O1 Dy1 O5 143.88(16) . . ?
O2 Dy1 O5 138.98(17) . . ?
O6 Dy1 O4 74.46(17) . . ?
O3 Dy1 O4 73.11(16) . . ?
O1 Dy1 O4 82.40(16) . . ?
O2 Dy1 O4 80.91(16) . . ?
O5 Dy1 O4 118.01(17) . . ?
O6 Dy1 N1 138.1(2) . . ?
O3 Dy1 N1 83.01(19) . . ?
O1 Dy1 N1 71.26(18) . . ?
O2 Dy1 N1 106.95(17) . . ?
O5 Dy1 N1 77.47(18) . . ?
O4 Dy1 N1 147.0(2) . . ?
O6 Dy1 N2 81.15(19) . . ?
O3 Dy1 N2 140.82(19) . . ?
O1 Dy1 N2 104.60(18) . . ?
O2 Dy1 N2 70.84(18) . . ?
O5 Dy1 N2 75.86(19) . . ?
O4 Dy1 N2 145.67(19) . . ?
N1 Dy1 N2 63.2(2) . . ?
O6 Dy1 Dy2 111.21(12) . . ?
O3 Dy1 Dy2 111.41(12) . . ?
O1 Dy1 Dy2 34.48(11) . . ?
O2 Dy1 Dy2 35.07(11) . . ?
O5 Dy1 Dy2 164.06(12) . . ?
O4 Dy1 Dy2 77.66(12) . . ?
N1 Dy1 Dy2 90.63(14) . . ?
N2 Dy1 Dy2 89.37(14) . . ?
O7 Dy2 O8 95.11(19) . . ?
O7 Dy2 O1 97.28(18) . . ?
O8 Dy2 O1 162.05(16) . . ?
O7 Dy2 O9 87.74(18) . . ?
O8 Dy2 O9 83.29(16) . . ?
O1 Dy2 O9 84.27(16) . . ?
O7 Dy2 O2 159.31(19) . . ?
O8 Dy2 O2 96.28(16) . . ?
O1 Dy2 O2 68.18(15) . . ?
O9 Dy2 O2 76.53(15) . . ?
O7 Dy2 N3 73.4(2) . . ?
O8 Dy2 N3 118.56(18) . . ?
O1 Dy2 N3 77.61(17) . . ?
O9 Dy2 N3 151.7(2) . . ?
O2 Dy2 N3 115.39(18) . . ?
O7 Dy2 N4 121.1(2) . . ?
O8 Dy2 N4 73.88(18) . . ?
O1 Dy2 N4 110.07(18) . . ?
O9 Dy2 N4 144.03(19) . . ?
O2 Dy2 N4 78.74(17) . . ?
N3 Dy2 N4 63.8(2) . . ?
O7 Dy2 Dy1 128.97(15) . . ?
O8 Dy2 Dy1 129.53(12) . . ?
O1 Dy2 Dy1 33.96(11) . . ?
O9 Dy2 Dy1 76.33(11) . . ?
O2 Dy2 Dy1 34.33(10) . . ?
N3 Dy2 Dy1 99.05(14) . . ?
N4 Dy2 Dy1 97.07(14) . . ?
C40 O7 Dy2 142.2(5) . . ?
C33 O8 Dy2 139.2(4) . . ?
C61 O6 Dy1 136.1(5) . . ?
C47 O4 Dy1 135.2(4) . . ?
C49 O3 Dy1 135.1(4) . . ?
C16 O1 Dy1 124.2(4) . . ?
C16 O1 Dy2 124.1(4) . . ?
Dy1 O1 Dy2 111.56(18) . . ?
C63 O5 Dy1 132.6(5) . . ?
O1 C16 C17 120.7(7) . . ?
O1 C16 C15 120.4(7) . . ?
C17 C16 C15 118.8(7) . . ?
C38 C39 C40 121.0(11) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C7 N2 C8 121.1(7) . . ?
C7 N2 Dy1 125.5(5) . . ?
C8 N2 Dy1 113.1(5) . . ?
C59 C60 C55 119.5(8) . . ?
C59 C60 C61 123.1(8) . . ?
C55 C60 C61 117.4(7) . . ?
C14 N1 C13 120.4(7) . . ?
C14 N1 Dy1 126.2(6) . . ?
C13 N1 Dy1 113.4(5) . . ?
C18 C17 C16 121.6(9) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
O6 C61 C62 123.7(8) . . ?
O6 C61 C60 115.9(7) . . ?
C62 C61 C60 120.4(7) . . ?
C27 N4 C21 119.4(6) . . ?
C27 N4 Dy2 129.4(5) . . ?
C21 N4 Dy2 110.9(5) . . ?
C1 C51 C50 120.3(7) . . ?
C1 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C40 C35 C34 123.9(8) . . ?
C40 C35 C36 119.0(9) . . ?
C34 C35 C36 117.1(9) . . ?
N2 C7 C6 128.0(7) . . ?
N2 C7 H7 116.0 . . ?
C6 C7 H7 116.0 . . ?
C17 C18 C19 119.7(10) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C26 C21 C22 119.3(7) . . ?
C26 C21 N4 125.4(8) . . ?
C22 C21 N4 115.2(7) . . ?
O4 C47 C48 125.4(6) . . ?
O4 C47 C46 116.3(6) . . ?
C48 C47 C46 118.3(7) . . ?
C49 C48 C47 123.4(7) . . ?
C49 C48 H48 118.3 . . ?
C47 C48 H48 118.3 . . ?
C60 C55 C56 117.7(9) . . ?
C60 C55 H55 121.1 . . ?
C56 C55 H55 121.1 . . ?
C4 C5 C6 120.3(8) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C4 C3 120.6(9) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C20 C19 C18 119.8(9) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C5 C6 C9 119.9(8) . . ?
C5 C6 C7 117.4(8) . . ?
C9 C6 C7 122.6(7) . . ?
C54 C50 C51 119.3(8) . . ?
C54 C50 C49 119.9(7) . . ?
C51 C50 C49 120.7(7) . . ?
C25 C24 C23 122.1(9) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
O7 C40 C35 123.1(8) . . ?
O7 C40 C39 119.0(9) . . ?
C35 C40 C39 117.8(8) . . ?
C52 C1 C51 120.8(8) . . ?
C52 C1 H1 119.6 . . ?
C51 C1 H1 119.6 . . ?
O3 C49 C48 126.1(7) . . ?
O3 C49 C50 114.9(6) . . ?
C48 C49 C50 119.0(6) . . ?
C34 N3 C22 119.2(7) . . ?
C34 N3 Dy2 129.4(6) . . ?
C22 N3 Dy2 111.1(5) . . ?
C44 C45 C46 122.2(11) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 H45 118.9 . . ?
C31 C32 C33 122.9(9) . . ?
C31 C32 H32 118.6 . . ?
C33 C32 H32 118.5 . . ?
O5 C63 C62 125.6(7) . . ?
O5 C63 C64 117.4(8) . . ?
C62 C63 C64 116.9(8) . . ?
C21 C22 C23 119.2(8) . . ?
C21 C22 N3 115.9(6) . . ?
C23 C22 N3 124.8(9) . . ?
C41 C46 C45 119.2(8) . . ?
C41 C46 C47 116.7(8) . . ?
C45 C46 C47 124.1(8) . . ?
C20 C15 C16 118.2(9) . . ?
C20 C15 C14 116.8(8) . . ?
C16 C15 C14 124.8(7) . . ?
C4 C3 C2 120.6(9) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
N1 C14 C15 125.5(7) . . ?
N1 C14 H14 117.3 . . ?
C15 C14 H14 117.3 . . ?
C24 C23 C22 119.2(10) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
O8 C33 C32 119.6(7) . . ?
O8 C33 C28 122.7(7) . . ?
C32 C33 C28 117.7(8) . . ?
C36 C37 C38 119.7(11) . . ?
C36 C37 H37 120.1 . . ?
C38 C37 H37 120.1 . . ?
C3 C2 C9 121.0(8) . . ?
C3 C2 H2 119.5 . . ?
C9 C2 H2 119.5 . . ?
C25 C26 C21 120.4(10) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
C61 C62 C63 123.3(8) . . ?
C61 C62 H62 118.4 . . ?
C63 C62 H62 118.4 . . ?
C30 C29 C28 122.2(9) . . ?
C30 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
C1A C12 C13 124.3(13) . . ?
C1A C12 H12 117.9 . . ?
C13 C12 H12 117.9 . . ?
C60 C59 C58 121.2(9) . . ?
C60 C59 H59 119.4 . . ?
C58 C59 H59 119.4 . . ?
C19 C20 C15 121.6(9) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
N4 C27 C28 127.6(7) . . ?
N4 C27 H27 116.2 . . ?
C28 C27 H27 116.2 . . ?
C1 C52 C53 119.6(9) . . ?
C1 C52 H52 120.2 . . ?
C53 C52 H52 120.2 . . ?
C50 C54 C53 120.0(8) . . ?
C50 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C10 C8 C13 119.2(9) . . ?
C10 C8 N2 123.8(9) . . ?
C13 C8 N2 117.0(7) . . ?
C29 C28 C33 118.9(7) . . ?
C29 C28 C27 117.2(7) . . ?
C33 C28 C27 124.0(7) . . ?
C37 C36 C35 122.0(12) . . ?
C37 C36 H36 119.0 . . ?
C35 C36 H36 119.0 . . ?
C45 C44 C43 119.3(12) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.3 . . ?
C43 C42 C41 119.3(12) . . ?
C43 C42 H42 120.3 . . ?
C41 C42 H42 120.3 . . ?
C65 C64 C69 119.5(10) . . ?
C65 C64 C63 117.9(10) . . ?
C69 C64 C63 122.6(10) . . ?
N3 C34 C35 126.7(8) . . ?
N3 C34 H34 116.6 . . ?
C35 C34 H34 116.6 . . ?
C58 C57 C56 120.1(10) . . ?
C58 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C32 C31 C30 119.4(9) . . ?
C32 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C57 C58 C59 119.3(9) . . ?
C57 C58 H58 120.3 . . ?
C59 C58 H58 120.3 . . ?
C46 C41 C42 118.8(11) . . ?
C46 C41 H41 120.6 . . ?
C42 C41 H41 120.6 . . ?
C12 C13 C8 118.5(9) . . ?
C12 C13 N1 125.8(10) . . ?
C8 C13 N1 115.7(7) . . ?
C9 O2 Dy1 125.5(4) . . ?
C9 O2 Dy2 123.4(4) . . ?
Dy1 O2 Dy2 110.60(18) . . ?
Dy2 O9 H9A 109.9 . . ?
Dy2 O9 H9B 132.9 . . ?
H9A O9 H9B 103.8 . . ?
O2 C9 C2 121.0(7) . . ?
O2 C9 C6 121.4(6) . . ?
C2 C9 C6 117.5(7) . . ?
C24 C25 C26 119.7(9) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C11 C10 C8 121.0(11) . . ?
C11 C10 H10 119.5 . . ?
C8 C10 H10 119.5 . . ?
C29 C30 C31 118.8(10) . . ?
C29 C30 H30 120.6 . . ?
C31 C30 H30 120.6 . . ?
C64 C65 C66 120.4(12) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C52 C53 C54 120.1(9) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C10 C11 C1A 118.2(11) . . ?
C10 C11 H11 120.9 . . ?
C1A C11 H11 120.9 . . ?
C57 C56 C55 122.1(10) . . ?
C57 C56 H56 118.9 . . ?
C55 C56 H56 118.9 . . ?
C64 C69 C68 119.7(14) . . ?
C64 C69 H69 120.1 . . ?
C68 C69 H69 120.1 . . ?
C12 C1A C11 118.7(12) . . ?
C12 C1A H1A 120.6 . . ?
C11 C1A H1A 120.6 . . ?
C42 C43 C44 121.1(11) . . ?
C42 C43 H43 119.4 . . ?
C44 C43 H43 119.5 . . ?
C39 C38 C37 120.3(12) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C67 C66 C65 119.7(15) . . ?
C67 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C67 C68 C69 117.7(17) . . ?
C67 C68 H68 121.1 . . ?
C69 C68 H68 121.1 . . ?
C66 C67 C68 122.7(16) . . ?
C66 C67 H67 118.6 . . ?
C68 C67 H67 118.6 . . ?
Cl2 C70 Cl3 87.1(11) . . ?
Cl2 C70 H70A 114.1 . . ?
Cl3 C70 H70A 114.1 . . ?
Cl2 C70 H70B 114.1 . . ?
Cl3 C70 H70B 114.1 . . ?
H70A C70 H70B 111.3 . . ?
Cl4 C71 Cl1 108.6(9) . . ?
Cl4 C71 H71A 110.0 . . ?
Cl1 C71 H71A 110.0 . . ?
Cl4 C71 H71B 110.0 . . ?
Cl1 C71 H71B 110.0 . . ?
H71A C71 H71B 108.3 . . ?

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 O1 C16 C17 127.7(6) . . . . ?
Dy2 O1 C16 C17 -56.7(9) . . . . ?
Dy1 O1 C16 C15 -55.1(8) . . . . ?
Dy2 O1 C16 C15 120.5(6) . . . . ?
O1 C16 C17 C18 174.7(7) . . . . ?
C15 C16 C17 C18 -2.5(12) . . . . ?
Dy1 O6 C61 C62 -7.0(12) . . . . ?
Dy1 O6 C61 C60 173.5(5) . . . . ?
C59 C60 C61 O6 170.1(7) . . . . ?
C55 C60 C61 O6 -9.1(11) . . . . ?
C59 C60 C61 C62 -9.4(12) . . . . ?
C55 C60 C61 C62 171.5(8) . . . . ?
C8 N2 C7 C6 -179.8(7) . . . . ?
Dy1 N2 C7 C6 -6.5(12) . . . . ?
C16 C17 C18 C19 -1.5(14) . . . . ?
C27 N4 C21 C26 34.3(10) . . . . ?
Dy2 N4 C21 C26 -140.8(6) . . . . ?
C27 N4 C21 C22 -148.8(7) . . . . ?
Dy2 N4 C21 C22 36.0(7) . . . . ?
Dy1 O4 C47 C48 -12.1(11) . . . . ?
Dy1 O4 C47 C46 166.8(4) . . . . ?
O4 C47 C48 C49 0.7(12) . . . . ?
C46 C47 C48 C49 -178.2(7) . . . . ?
C59 C60 C55 C56 0.1(15) . . . . ?
C61 C60 C55 C56 179.3(10) . . . . ?
C6 C5 C4 C3 -3.1(14) . . . . ?
C17 C18 C19 C20 2.1(15) . . . . ?
C4 C5 C6 C9 4.3(12) . . . . ?
C4 C5 C6 C7 -178.0(8) . . . . ?
N2 C7 C6 C5 163.6(8) . . . . ?
N2 C7 C6 C9 -18.8(12) . . . . ?
C1 C51 C50 C54 1.7(13) . . . . ?
C1 C51 C50 C49 -175.2(7) . . . . ?
Dy2 O7 C40 C35 -11.5(15) . . . . ?
Dy2 O7 C40 C39 165.9(8) . . . . ?
C34 C35 C40 O7 0.3(14) . . . . ?
C36 C35 C40 O7 179.2(9) . . . . ?
C34 C35 C40 C39 -177.2(9) . . . . ?
C36 C35 C40 C39 1.7(14) . . . . ?
C38 C39 C40 O7 -176.8(11) . . . . ?
C38 C39 C40 C35 0.8(17) . . . . ?
C50 C51 C1 C52 -1.4(14) . . . . ?
Dy1 O3 C49 C48 8.1(11) . . . . ?
Dy1 O3 C49 C50 -171.4(4) . . . . ?
C47 C48 C49 O3 1.3(12) . . . . ?
C47 C48 C49 C50 -179.2(7) . . . . ?
C54 C50 C49 O3 -38.5(11) . . . . ?
C51 C50 C49 O3 138.3(7) . . . . ?
C54 C50 C49 C48 142.0(8) . . . . ?
C51 C50 C49 C48 -41.2(11) . . . . ?
Dy1 O5 C63 C62 20.5(12) . . . . ?
Dy1 O5 C63 C64 -162.2(6) . . . . ?
C26 C21 C22 C23 0.1(10) . . . . ?
N4 C21 C22 C23 -177.0(6) . . . . ?
C26 C21 C22 N3 176.8(6) . . . . ?
N4 C21 C22 N3 -0.2(9) . . . . ?
C34 N3 C22 C21 150.2(7) . . . . ?
Dy2 N3 C22 C21 -35.7(7) . . . . ?
C34 N3 C22 C23 -33.3(11) . . . . ?
Dy2 N3 C22 C23 140.9(6) . . . . ?
C44 C45 C46 C41 -2.8(14) . . . . ?
C44 C45 C46 C47 179.9(9) . . . . ?
O4 C47 C46 C41 -21.5(10) . . . . ?
C48 C47 C46 C41 157.6(7) . . . . ?
O4 C47 C46 C45 155.9(8) . . . . ?
C48 C47 C46 C45 -25.1(11) . . . . ?
O1 C16 C15 C20 -171.5(7) . . . . ?
C17 C16 C15 C20 5.7(11) . . . . ?
O1 C16 C15 C14 3.8(11) . . . . ?
C17 C16 C15 C14 -179.0(7) . . . . ?
C5 C4 C3 C2 1.1(14) . . . . ?
C13 N1 C14 C15 -178.5(7) . . . . ?
Dy1 N1 C14 C15 4.0(11) . . . . ?
C20 C15 C14 N1 -163.3(8) . . . . ?
C16 C15 C14 N1 21.3(12) . . . . ?
C25 C24 C23 C22 0.2(13) . . . . ?
C21 C22 C23 C24 -0.8(11) . . . . ?
N3 C22 C23 C24 -177.2(7) . . . . ?
Dy2 O8 C33 C32 -159.0(6) . . . . ?
Dy2 O8 C33 C28 19.8(12) . . . . ?
C31 C32 C33 O8 179.2(9) . . . . ?
C31 C32 C33 C28 0.2(14) . . . . ?
C4 C3 C2 C9 -0.4(13) . . . . ?
C22 C21 C26 C25 1.3(11) . . . . ?
N4 C21 C26 C25 178.0(7) . . . . ?
O6 C61 C62 C63 -11.8(13) . . . . ?
C60 C61 C62 C63 167.6(7) . . . . ?
O5 C63 C62 C61 4.7(14) . . . . ?
C64 C63 C62 C61 -172.6(8) . . . . ?
C55 C60 C59 C58 -0.6(14) . . . . ?
C61 C60 C59 C58 -179.8(8) . . . . ?
C18 C19 C20 C15 1.3(14) . . . . ?
C16 C15 C20 C19 -5.2(12) . . . . ?
C14 C15 C20 C19 179.1(8) . . . . ?
C21 N4 C27 C28 -179.5(7) . . . . ?
Dy2 N4 C27 C28 -5.4(12) . . . . ?
C51 C1 C52 C53 -0.4(17) . . . . ?
C51 C50 C54 C53 -0.2(15) . . . . ?
C49 C50 C54 C53 176.7(10) . . . . ?
C7 N2 C8 C10 28.0(12) . . . . ?
Dy1 N2 C8 C10 -146.1(7) . . . . ?
C7 N2 C8 C13 -154.3(8) . . . . ?
Dy1 N2 C8 C13 31.6(8) . . . . ?
C30 C29 C28 C33 1.1(15) . . . . ?
C30 C29 C28 C27 -178.7(9) . . . . ?
O8 C33 C28 C29 179.8(8) . . . . ?
C32 C33 C28 C29 -1.3(12) . . . . ?
O8 C33 C28 C27 -0.3(12) . . . . ?
C32 C33 C28 C27 178.6(8) . . . . ?
N4 C27 C28 C29 174.9(8) . . . . ?
N4 C27 C28 C33 -5.0(13) . . . . ?
C38 C37 C36 C35 -3(2) . . . . ?
C40 C35 C36 C37 -0.7(17) . . . . ?
C34 C35 C36 C37 178.3(11) . . . . ?
C46 C45 C44 C43 0.5(18) . . . . ?
O5 C63 C64 C65 -33.0(13) . . . . ?
C62 C63 C64 C65 144.5(9) . . . . ?
O5 C63 C64 C69 145.7(11) . . . . ?
C62 C63 C64 C69 -36.8(14) . . . . ?
C22 N3 C34 C35 179.9(8) . . . . ?
Dy2 N3 C34 C35 7.0(13) . . . . ?
C40 C35 C34 N3 0.3(15) . . . . ?
C36 C35 C34 N3 -178.6(9) . . . . ?
C33 C32 C31 C30 1.0(17) . . . . ?
C56 C57 C58 C59 1.8(19) . . . . ?
C60 C59 C58 C57 -0.3(15) . . . . ?
C45 C46 C41 C42 2.1(13) . . . . ?
C47 C46 C41 C42 179.6(8) . . . . ?
C43 C42 C41 C46 0.8(17) . . . . ?
C1A C12 C13 C8 -0.9(16) . . . . ?
C1A C12 C13 N1 179.9(10) . . . . ?
C10 C8 C13 C12 -1.3(13) . . . . ?
N2 C8 C13 C12 -179.1(7) . . . . ?
C10 C8 C13 N1 178.0(7) . . . . ?
N2 C8 C13 N1 0.3(11) . . . . ?
C14 N1 C13 C12 -30.6(12) . . . . ?
Dy1 N1 C13 C12 147.1(8) . . . . ?
C14 N1 C13 C8 150.1(8) . . . . ?
Dy1 N1 C13 C8 -32.2(8) . . . . ?
Dy1 O2 C9 C2 -129.3(6) . . . . ?
Dy2 O2 C9 C2 59.1(8) . . . . ?
Dy1 O2 C9 C6 53.7(8) . . . . ?
Dy2 O2 C9 C6 -117.9(6) . . . . ?
C3 C2 C9 O2 -175.6(6) . . . . ?
C3 C2 C9 C6 1.6(11) . . . . ?
C5 C6 C9 O2 173.7(6) . . . . ?
C7 C6 C9 O2 -3.9(10) . . . . ?
C5 C6 C9 C2 -3.5(10) . . . . ?
C7 C6 C9 C2 178.9(7) . . . . ?
C23 C24 C25 C26 1.2(15) . . . . ?
C21 C26 C25 C24 -2.0(13) . . . . ?
C13 C8 C10 C11 3.9(15) . . . . ?
N2 C8 C10 C11 -178.5(10) . . . . ?
C28 C29 C30 C31 0.1(18) . . . . ?
C32 C31 C30 C29 -1.1(18) . . . . ?
C69 C64 C65 C66 4.0(18) . . . . ?
C63 C64 C65 C66 -177.3(11) . . . . ?
C1 C52 C53 C54 2(2) . . . . ?
C50 C54 C53 C52 -1.6(19) . . . . ?
C8 C10 C11 C1A -4(2) . . . . ?
C58 C57 C56 C55 -2(2) . . . . ?
C60 C55 C56 C57 1(2) . . . . ?
C65 C64 C69 C68 0(2) . . . . ?
C63 C64 C69 C68 -178.5(13) . . . . ?
C13 C12 C1A C11 0(2) . . . . ?
C10 C11 C1A C12 2(2) . . . . ?
C41 C42 C43 C44 -3(2) . . . . ?
C45 C44 C43 C42 3(2) . . . . ?
C40 C39 C38 C37 -4(2) . . . . ?
C36 C37 C38 C39 5(2) . . . . ?
C64 C65 C66 C67 -5(2) . . . . ?
C64 C69 C68 C67 -3(3) . . . . ?
C65 C66 C67 C68 2(3) . . . . ?
C69 C68 C67 C66 2(3) . . . . ?

_refine_diff_density_max         3.560
_refine_diff_density_min         -1.277
_refine_diff_density_rms         0.138

