# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_Complex2
_database_code_depnum_ccdc_archive 'CCDC 1967048'
loop_
_audit_author_name
_audit_author_address
'Dipmalya Basak'
;Indian Institute of Technology Kharagpur
India
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-05-21 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT971_Complex2            
;
PROBLEM: Check Calcd Resid. Dens.  0.82A   From Dy3             3.68 eA-3
RESPONSE: The residual density peak could not be modelled as any chemically 
sensible species. Its presence is likely due to the presence of a strong 
absorber in its proximity (Dysprosium) and/or imperfections in the 
absorption corrections. No unaccounted for twinning could be identified on 
examination of the data. The data was aquired on the best possible crystal. 
;
_vrf_PLAT417_Complex2            
;
PROBLEM: Short Inter D-H..H-D       H15      ..H22      .       2.00 Ang.
RESPONSE: The H atoms on O22 of the solvent MeOH molecules were fixed at 
calculated positions as they could not be assigned from electron density map 
and the best possible effort was made to fix them.
;
_vrf_PLAT420_Complex2            
;
PROBLEM: D-H Without Acceptor       O16      --H16F     .     Please Check
RESPONSE: The H atoms on O16 of the coordinated water molecules were fixed at 
calculated positions as they could not be assigned from electron density map 
and the best possible effort was made to fix them.
;
_vrf_PLAT972_Complex2            
;
PROBLEM: Check Calcd Resid. Dens.  0.72A   From Dy3            -2.65 eA-3
RESPONSE: This is likely due to imperfections in the absorption corrections. 
No unaccounted for twinning could be identified on examination of the data.
;
_vrf_PLAT973_Complex2            
;
PROBLEM: Check Calcd Positive Resid. Density on       Dy3       1.53 eA-3
RESPONSE: The residual density peak could not be modelled as any chemically 
sensible species. Its presence is likely due to the presence of a strong 
absorber in its proximity (Dysprosium) and/or imperfections in the absorption 
corrections.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C64 H116 Co4 Dy3 N2 O32, C22 H44 Dy O10, 4(C H4 O)'
_chemical_formula_sum            'C90 H176 Co4 Dy4 N2 O46'
_chemical_formula_weight         2908.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Co Co 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

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

_cell_length_a                   19.2860(11)
_cell_length_b                   12.0279(7)
_cell_length_c                   29.6486(14)
_cell_angle_alpha                90
_cell_angle_beta                 119.834(3)
_cell_angle_gamma                90
_cell_volume                     5966.1(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    69364
_cell_measurement_theta_min      1.584
_cell_measurement_theta_max      25.037

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_F_000             2940
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_absorpt_coefficient_mu    3.095
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.414
_exptl_absorpt_correction_T_max  0.506
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69364
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_av_R_equivalents  0.0977
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.584
_diffrn_reflns_theta_max         25.037
_diffrn_reflns_theta_full        25.037
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             10479
_reflns_number_gt                7559
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINTT'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Diamond
_computing_publication_material  
'SHELXL-2014/7 (Sheldrick, 2014), PLATON (Spek, 2009)'
_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)+(0.0609P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10479
_refine_ls_number_parameters     688
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.1248
_refine_ls_wR_factor_gt          0.1143
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.004

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 0.5000 0.85051(3) 0.7500 0.02084(13) Uani 1 2 d S T P . .
Dy2 Dy 0.36905(2) 0.59910(3) 0.74293(2) 0.02776(11) Uani 1 1 d . . . . .
Co1 Co 0.29298(5) 0.84501(7) 0.67848(4) 0.0241(2) Uani 1 1 d . . . . .
Co2 Co 0.37026(5) 0.84482(7) 0.79855(4) 0.0217(2) Uani 1 1 d . . . . .
O10 O 0.2062(3) 0.9714(4) 0.65178(19) 0.0330(12) Uani 1 1 d . . . . .
O11 O 0.2854(3) 0.9617(4) 0.61900(18) 0.0310(12) Uani 1 1 d . . . . .
O8 O 0.2107(3) 0.7502(4) 0.62065(18) 0.0364(13) Uani 1 1 d . . . . .
O9 O 0.2455(3) 0.5902(4) 0.6642(2) 0.0370(13) Uani 1 1 d . . . . .
O1 O 0.4492(3) 0.9315(3) 0.85298(17) 0.0238(11) Uani 1 1 d . . . . .
O2 O 0.5735(3) 0.9983(4) 0.93604(18) 0.0337(12) Uani 1 1 d . . . . .
O5 O 0.3780(3) 0.9317(3) 0.74568(16) 0.0226(10) Uani 1 1 d . . . . .
O3 O 0.2928(2) 0.7594(3) 0.74165(17) 0.0220(10) Uani 1 1 d . . . . .
O7 O 0.3635(3) 0.5872(4) 0.8206(2) 0.0344(12) Uani 1 1 d . . . . .
O12 O 0.4908(3) 0.5254(4) 0.7979(2) 0.0372(13) Uani 1 1 d . . . . .
O4 O 0.3899(3) 0.7419(3) 0.69514(17) 0.0239(11) Uani 1 1 d . . . . .
H4A H 0.3907 0.7150 0.6642 0.029 Uiso 1 1 calc R U . . .
O14 O 0.3899(3) 0.4797(4) 0.6887(2) 0.0410(14) Uani 1 1 d . . . . .
O13 O 0.2965(3) 0.4382(4) 0.7451(2) 0.0465(15) Uani 1 1 d . . . . .
H13 H 0.2893 0.4331 0.7738 0.056 Uiso 1 1 calc R U . . .
O15 O 0.5493(3) 0.7529(3) 0.70331(17) 0.0214(10) Uani 1 1 d D . . . .
O16 O 0.4481(3) 0.9742(4) 0.67920(17) 0.0267(11) Uani 1 1 d . . . . .
H16E H 0.4014 0.9565 0.6487 0.032 Uiso 1 1 calc R U . . .
H16F H 0.4743 1.0409 0.6817 0.032 Uiso 1 1 calc R U . . .
O6 O 0.3693(3) 0.7591(3) 0.85183(17) 0.0269(11) Uani 1 1 d . . . . .
N1 N 0.2830(3) 0.9216(4) 0.7949(2) 0.0222(13) Uani 1 1 d . . . . .
C1 C 0.4344(4) 1.0008(5) 0.8823(3) 0.0251(16) Uani 1 1 d . . . . .
C2 C 0.5019(4) 1.0415(6) 0.9274(3) 0.0285(17) Uani 1 1 d . . . . .
C3 C 0.4934(5) 1.1193(6) 0.9592(3) 0.0360(19) Uani 1 1 d . . . . .
H3 H 0.5380 1.1445 0.9893 0.043 Uiso 1 1 calc R U . . .
C4 C 0.4178(5) 1.1586(6) 0.9457(3) 0.042(2) Uani 1 1 d . . . . .
H4 H 0.4124 1.2140 0.9656 0.051 Uiso 1 1 calc R U . . .
C5 C 0.3509(5) 1.1166(6) 0.9032(3) 0.038(2) Uani 1 1 d . . . . .
H5 H 0.3004 1.1409 0.8955 0.046 Uiso 1 1 calc R U . . .
C6 C 0.3587(4) 1.0368(5) 0.8712(3) 0.0271(16) Uani 1 1 d . . . . .
C8 C 0.2863(4) 0.9931(6) 0.8281(3) 0.0280(17) Uani 1 1 d . . . . .
H7 H 0.2381 1.0189 0.8241 0.034 Uiso 1 1 calc R U . . .
C9 C 0.2051(4) 0.8800(5) 0.7531(3) 0.0271(17) Uani 1 1 d . . . . .
H8A H 0.1867 0.9247 0.7220 0.033 Uiso 1 1 calc R U . . .
H8B H 0.1654 0.8830 0.7640 0.033 Uiso 1 1 calc R U . . .
C11 C 0.2222(4) 0.9986(6) 0.6175(3) 0.0303(17) Uani 1 1 d . . . . .
C12 C 0.1638(5) 1.0722(6) 0.5713(3) 0.0367(19) Uani 1 1 d . . . . .
C15 C 0.1004(6) 1.1220(9) 0.5808(4) 0.071(3) Uani 1 1 d . . . . .
H11A H 0.1246 1.1750 0.6086 0.107 Uiso 1 1 calc R U . . .
H11B H 0.0755 1.0642 0.5901 0.107 Uiso 1 1 calc R U . . .
H11C H 0.0609 1.1585 0.5498 0.107 Uiso 1 1 calc R U . . .
C13 C 0.2070(6) 1.1629(7) 0.5603(4) 0.061(3) Uani 1 1 d . . . . .
H12A H 0.1704 1.1999 0.5285 0.091 Uiso 1 1 calc R U . . .
H12B H 0.2500 1.1313 0.5571 0.091 Uiso 1 1 calc R U . . .
H12C H 0.2281 1.2156 0.5884 0.091 Uiso 1 1 calc R U . . .
C14 C 0.1261(6) 0.9930(8) 0.5249(3) 0.072(3) Uani 1 1 d . . . . .
H13A H 0.1027 0.9311 0.5329 0.108 Uiso 1 1 calc R U . . .
H13B H 0.1665 0.9665 0.5176 0.108 Uiso 1 1 calc R U . . .
H13C H 0.0855 1.0315 0.4950 0.108 Uiso 1 1 calc R U . . .
C16 C 0.2017(5) 0.6482(7) 0.6252(3) 0.0360(19) Uani 1 1 d . . . . .
C17 C 0.1324(5) 0.5876(7) 0.5793(3) 0.044(2) Uani 1 1 d . . . . .
C18 C 0.0843(6) 0.5268(8) 0.5984(3) 0.068(3) Uani 1 1 d . . . . .
H16A H 0.0381 0.4944 0.5694 0.102 Uiso 1 1 calc R U . . .
H16B H 0.0675 0.5778 0.6160 0.102 Uiso 1 1 calc R U . . .
H16C H 0.1163 0.4692 0.6220 0.102 Uiso 1 1 calc R U . . .
C20 C 0.0780(5) 0.6717(7) 0.5374(3) 0.058(3) Uani 1 1 d . . . . .
H17A H 0.1082 0.7100 0.5245 0.087 Uiso 1 1 calc R U . . .
H17B H 0.0576 0.7244 0.5522 0.087 Uiso 1 1 calc R U . . .
H17C H 0.0343 0.6330 0.5094 0.087 Uiso 1 1 calc R U . . .
C19 C 0.1677(5) 0.5097(8) 0.5555(3) 0.064(3) Uani 1 1 d . . . . .
H18A H 0.1952 0.5525 0.5419 0.096 Uiso 1 1 calc R U . . .
H18B H 0.1255 0.4679 0.5279 0.096 Uiso 1 1 calc R U . . .
H18C H 0.2046 0.4597 0.5817 0.096 Uiso 1 1 calc R U . . .
C21 C 0.3710(4) 0.6525(6) 0.8556(3) 0.0310(18) Uani 1 1 d . . . . .
C22 C 0.3815(5) 0.6092(6) 0.9069(3) 0.0378(19) Uani 1 1 d . . . . .
C24 C 0.3215(6) 0.6629(9) 0.9182(4) 0.078(4) Uani 1 1 d . . . . .
H21A H 0.3234 0.7421 0.9151 0.118 Uiso 1 1 calc R U . . .
H21B H 0.3337 0.6444 0.9529 0.118 Uiso 1 1 calc R U . . .
H21C H 0.2689 0.6365 0.8939 0.118 Uiso 1 1 calc R U . . .
C23 C 0.3743(5) 0.4828(6) 0.9069(3) 0.050(2) Uani 1 1 d . . . . .
H22A H 0.3758 0.4593 0.9383 0.075 Uiso 1 1 calc R U . . .
H22B H 0.4179 0.4495 0.9049 0.075 Uiso 1 1 calc R U . . .
H22C H 0.3246 0.4601 0.8774 0.075 Uiso 1 1 calc R U . . .
C25 C 0.4663(5) 0.6414(7) 0.9495(3) 0.051(2) Uani 1 1 d . . . . .
H23A H 0.4719 0.7208 0.9505 0.077 Uiso 1 1 calc R U . . .
H23B H 0.5047 0.6081 0.9421 0.077 Uiso 1 1 calc R U . . .
H23C H 0.4751 0.6153 0.9826 0.077 Uiso 1 1 calc R U . . .
C27 C 0.5519(5) 0.3620(6) 0.8486(3) 0.041(2) Uani 1 1 d . . . . .
C30 C 0.5950(8) 0.3991(9) 0.9042(4) 0.100(5) Uani 1 1 d . . . . .
H25A H 0.6456 0.4310 0.9123 0.150 Uiso 1 1 calc R U . . .
H25B H 0.6038 0.3363 0.9264 0.150 Uiso 1 1 calc R U . . .
H25C H 0.5634 0.4536 0.9095 0.150 Uiso 1 1 calc R U . . .
C29 C 0.4655(6) 0.3238(7) 0.8316(4) 0.067(3) Uani 1 1 d . . . . .
H26A H 0.4672 0.2559 0.8491 0.101 Uiso 1 1 calc R U . . .
H26B H 0.4367 0.3117 0.7947 0.101 Uiso 1 1 calc R U . . .
H26C H 0.4390 0.3802 0.8404 0.101 Uiso 1 1 calc R U . . .
C28 C 0.5925(6) 0.2649(6) 0.8390(4) 0.071(3) Uani 1 1 d . . . . .
H27A H 0.6452 0.2864 0.8467 0.107 Uiso 1 1 calc R U . . .
H27B H 0.5620 0.2425 0.8033 0.107 Uiso 1 1 calc R U . . .
H27C H 0.5962 0.2039 0.8610 0.107 Uiso 1 1 calc R U . . .
C7 C 0.6451(4) 1.0380(7) 0.9811(3) 0.043(2) Uani 1 1 d . . . . .
H28A H 0.6482 1.1173 0.9792 0.064 Uiso 1 1 calc R U . . .
H28B H 0.6910 1.0046 0.9821 0.064 Uiso 1 1 calc R U . . .
H28C H 0.6436 1.0184 1.0120 0.064 Uiso 1 1 calc R U . . .
C10 C 0.2187(4) 0.7618(5) 0.7429(3) 0.0269(16) Uani 1 1 d . . . . .
H29A H 0.2223 0.7134 0.7701 0.032 Uiso 1 1 calc R U . . .
H29B H 0.1748 0.7367 0.7099 0.032 Uiso 1 1 calc R U . . .
C32 C 0.2629(7) 0.3490(8) 0.7083(5) 0.091(4) Uani 1 1 d . . . . .
H30A H 0.2129 0.3268 0.7051 0.137 Uiso 1 1 calc R U . . .
H30B H 0.2991 0.2871 0.7200 0.137 Uiso 1 1 calc R U . . .
H30C H 0.2543 0.3736 0.6750 0.137 Uiso 1 1 calc R U . . .
C26 C 0.5503(5) 0.4626(6) 0.8166(3) 0.0349(18) Uani 1 1 d . . . . .
C31 C 0.3697(4) 1.0507(5) 0.7473(3) 0.0318(18) Uani 1 1 d . . . . .
H32A H 0.3156 1.0685 0.7376 0.048 Uiso 1 1 calc R U . . .
H32B H 0.3831 1.0855 0.7235 0.048 Uiso 1 1 calc R U . . .
H32C H 0.4050 1.0772 0.7819 0.048 Uiso 1 1 calc R U . . .
Dy3 Dy 0.0000 0.07307(5) 0.7500 0.03648(15) Uani 1 2 d S T P . .
O17 O 0.1060(3) -0.0342(5) 0.8190(2) 0.0474(15) Uani 1 1 d . . . . .
O18 O -0.0167(3) -0.0600(5) 0.8031(2) 0.0492(15) Uani 1 1 d . . . . .
O21 O 0.1173(3) 0.1340(4) 0.75156(19) 0.0396(13) Uani 1 1 d . . . . .
H21 H 0.1618 0.1454 0.7842 0.047 Uiso 1 1 calc R U . . .
O19 O 0.0490(3) 0.2068(4) 0.8150(2) 0.0412(13) Uani 1 1 d . . . . .
O20 O 0.1670(3) 0.2710(5) 0.8301(2) 0.0454(14) Uani 1 1 d . . . . .
C38 C 0.1142(4) 0.2567(6) 0.8432(3) 0.0315(18) Uani 1 1 d . . . . .
C39 C 0.1309(5) 0.2987(6) 0.8956(3) 0.0357(18) Uani 1 1 d . . . . .
C41 C 0.2066(6) 0.3722(8) 0.9224(4) 0.067(3) Uani 1 1 d . . . . .
H35A H 0.2514 0.3317 0.9252 0.100 Uiso 1 1 calc R U . . .
H35B H 0.2168 0.3925 0.9565 0.100 Uiso 1 1 calc R U . . .
H35C H 0.1984 0.4382 0.9021 0.100 Uiso 1 1 calc R U . . .
C40 C 0.1466(6) 0.1958(8) 0.9298(3) 0.061(3) Uani 1 1 d . . . . .
H36A H 0.0979 0.1542 0.9174 0.092 Uiso 1 1 calc R U . . .
H36B H 0.1653 0.2186 0.9651 0.092 Uiso 1 1 calc R U . . .
H36C H 0.1863 0.1500 0.9285 0.092 Uiso 1 1 calc R U . . .
C42 C 0.0604(6) 0.3617(9) 0.8907(4) 0.078(3) Uani 1 1 d . . . . .
H37A H 0.0519 0.4269 0.8699 0.117 Uiso 1 1 calc R U . . .
H37B H 0.0705 0.3831 0.9246 0.117 Uiso 1 1 calc R U . . .
H37C H 0.0138 0.3153 0.8744 0.117 Uiso 1 1 calc R U . . .
C33 C 0.0572(5) -0.0817(6) 0.8281(3) 0.0358(19) Uani 1 1 d . . . . .
C34 C 0.0858(5) -0.1759(7) 0.8681(3) 0.045(2) Uani 1 1 d . . . . .
C35 C 0.1699(5) -0.1508(7) 0.9131(3) 0.044(2) Uani 1 1 d . . . . .
H40A H 0.2059 -0.1418 0.8997 0.066 Uiso 1 1 calc R U . . .
H40B H 0.1878 -0.2113 0.9374 0.066 Uiso 1 1 calc R U . . .
H40C H 0.1688 -0.0837 0.9302 0.066 Uiso 1 1 calc R U . . .
C37 C 0.0277(5) -0.1912(10) 0.8892(4) 0.082(4) Uani 1 1 d . . . . .
H41A H 0.0214 -0.1217 0.9027 0.123 Uiso 1 1 calc R U . . .
H41B H 0.0488 -0.2458 0.9165 0.123 Uiso 1 1 calc R U . . .
H41C H -0.0232 -0.2157 0.8616 0.123 Uiso 1 1 calc R U . . .
C36 C 0.0887(6) -0.2827(7) 0.8414(4) 0.073(3) Uani 1 1 d . . . . .
H42A H 0.0353 -0.3047 0.8163 0.110 Uiso 1 1 calc R U . . .
H42B H 0.1136 -0.3404 0.8668 0.110 Uiso 1 1 calc R U . . .
H42C H 0.1190 -0.2701 0.8242 0.110 Uiso 1 1 calc R U . . .
C43 C 0.1274(5) 0.1551(7) 0.7080(3) 0.055(3) Uani 1 1 d . . . . .
H43A H 0.0889 0.1129 0.6787 0.083 Uiso 1 1 calc R U . . .
H43B H 0.1803 0.1337 0.7161 0.083 Uiso 1 1 calc R U . . .
H43C H 0.1198 0.2329 0.6997 0.083 Uiso 1 1 calc R U . . .
O22 O 0.5809(3) 0.7602(4) 0.89728(19) 0.0443(14) Uani 1 1 d . . . . .
H22 H 0.5647 0.8204 0.9012 0.066 Uiso 1 1 calc R U . . .
C44 C 0.6568(5) 0.7370(7) 0.9414(3) 0.049(2) Uani 1 1 d . . . . .
H44A H 0.6545 0.7508 0.9726 0.074 Uiso 1 1 calc R U . . .
H44B H 0.6966 0.7840 0.9409 0.074 Uiso 1 1 calc R U . . .
H44C H 0.6703 0.6605 0.9406 0.074 Uiso 1 1 calc R U . . .
O23 O 0.1949(4) 0.4451(6) 0.7836(3) 0.0660(19) Uani 1 1 d . . . . .
H23 H 0.1938 0.3848 0.7962 0.099 Uiso 1 1 calc R U . . .
C45 C 0.1156(6) 0.4795(8) 0.7479(4) 0.064(3) Uani 1 1 d . . . . .
H45A H 0.0946 0.5214 0.7661 0.095 Uiso 1 1 calc R U . . .
H45B H 0.0827 0.4153 0.7322 0.095 Uiso 1 1 calc R U . . .
H45C H 0.1158 0.5250 0.7214 0.095 Uiso 1 1 calc R U . . .
H15 H 0.506(4) 0.749(7) 0.6677(13) 0.076 Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.329(4) . ?
Dy1 O4 2.329(4) 2_656 ?
Dy1 O15 2.347(4) . ?
Dy1 O15 2.347(4) 2_656 ?
Dy1 O16 2.352(4) . ?
Dy1 O16 2.352(4) 2_656 ?
Dy1 O5 2.491(4) . ?
Dy1 O5 2.491(4) 2_656 ?
Dy1 Co2 3.4527(9) . ?
Dy1 Co2 3.4527(9) 2_656 ?
Dy1 Co1 3.4667(9) . ?
Dy1 Co1 3.4668(9) 2_656 ?
Dy2 O12 2.269(5) . ?
Dy2 O14 2.335(5) . ?
Dy2 O7 2.362(5) . ?
Dy2 O9 2.367(5) . ?
Dy2 O4 2.384(4) . ?
Dy2 O13 2.408(5) . ?
Dy2 O3 2.413(4) . ?
Dy2 O15 2.438(4) 2_656 ?
Dy2 Co2 3.3789(9) . ?
Dy2 Co1 3.4297(10) . ?
Co1 O8 2.013(5) . ?
Co1 O4 2.088(4) . ?
Co1 O10 2.103(5) . ?
Co1 O5 2.120(4) . ?
Co1 O3 2.139(4) . ?
Co1 O11 2.201(5) . ?
Co2 N1 1.875(5) . ?
Co2 O1 1.888(4) . ?
Co2 O6 1.895(4) . ?
Co2 O3 1.904(4) . ?
Co2 O15 1.928(4) 2_656 ?
Co2 O5 1.950(4) . ?
O10 C11 1.244(8) . ?
O11 C11 1.276(8) . ?
O8 C16 1.256(9) . ?
O9 C16 1.252(9) . ?
O1 C1 1.333(7) . ?
O2 C2 1.375(8) . ?
O2 C7 1.443(8) . ?
O5 C31 1.444(7) . ?
O3 C10 1.447(7) . ?
O7 C21 1.251(8) . ?
O12 C26 1.249(8) . ?
O4 H4A 0.9800 . ?
O14 C26 1.256(8) 2_656 ?
O13 C32 1.434(11) . ?
O13 H13 0.9300 . ?
O15 Co2 1.928(4) 2_656 ?
O15 Dy2 2.438(4) 2_656 ?
O15 H15 0.97(2) . ?
O16 H16E 0.9300 . ?
O16 H16F 0.9300 . ?
O6 C21 1.286(8) . ?
N1 C8 1.285(8) . ?
N1 C9 1.479(8) . ?
C1 C6 1.397(9) . ?
C1 C2 1.411(9) . ?
C2 C3 1.395(9) . ?
C3 C4 1.389(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.375(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.409(9) . ?
C5 H5 0.9300 . ?
C6 C8 1.444(9) . ?
C8 H7 0.9300 . ?
C9 C10 1.504(9) . ?
C9 H8A 0.9700 . ?
C9 H8B 0.9700 . ?
C11 C12 1.549(10) . ?
C12 C13 1.502(11) . ?
C12 C15 1.509(11) . ?
C12 C14 1.527(11) . ?
C15 H11A 0.9600 . ?
C15 H11B 0.9600 . ?
C15 H11C 0.9600 . ?
C13 H12A 0.9600 . ?
C13 H12B 0.9600 . ?
C13 H12C 0.9600 . ?
C14 H13A 0.9600 . ?
C14 H13B 0.9600 . ?
C14 H13C 0.9600 . ?
C16 C17 1.535(10) . ?
C17 C18 1.495(11) . ?
C17 C19 1.522(11) . ?
C17 C20 1.540(12) . ?
C18 H16A 0.9600 . ?
C18 H16B 0.9600 . ?
C18 H16C 0.9600 . ?
C20 H17A 0.9600 . ?
C20 H17B 0.9600 . ?
C20 H17C 0.9600 . ?
C19 H18A 0.9600 . ?
C19 H18B 0.9600 . ?
C19 H18C 0.9600 . ?
C21 C22 1.525(10) . ?
C22 C24 1.502(11) . ?
C22 C23 1.526(10) . ?
C22 C25 1.538(11) . ?
C24 H21A 0.9600 . ?
C24 H21B 0.9600 . ?
C24 H21C 0.9600 . ?
C23 H22A 0.9600 . ?
C23 H22B 0.9600 . ?
C23 H22C 0.9600 . ?
C25 H23A 0.9600 . ?
C25 H23B 0.9600 . ?
C25 H23C 0.9600 . ?
C27 C30 1.498(12) . ?
C27 C28 1.510(11) . ?
C27 C26 1.528(10) . ?
C27 C29 1.551(12) . ?
C30 H25A 0.9600 . ?
C30 H25B 0.9600 . ?
C30 H25C 0.9600 . ?
C29 H26A 0.9600 . ?
C29 H26B 0.9600 . ?
C29 H26C 0.9600 . ?
C28 H27A 0.9600 . ?
C28 H27B 0.9600 . ?
C28 H27C 0.9600 . ?
C7 H28A 0.9600 . ?
C7 H28B 0.9600 . ?
C7 H28C 0.9600 . ?
C10 H29A 0.9700 . ?
C10 H29B 0.9700 . ?
C32 H30A 0.9600 . ?
C32 H30B 0.9600 . ?
C32 H30C 0.9600 . ?
C26 O14 1.256(8) 2_656 ?
C31 H32A 0.9600 . ?
C31 H32B 0.9600 . ?
C31 H32C 0.9600 . ?
Dy3 O19 2.320(5) . ?
Dy3 O19 2.321(5) 2_556 ?
Dy3 O21 2.357(5) 2_556 ?
Dy3 O21 2.357(5) . ?
Dy3 O18 2.375(5) . ?
Dy3 O18 2.375(5) 2_556 ?
Dy3 O17 2.421(5) . ?
Dy3 O17 2.421(5) 2_556 ?
Dy3 C33 2.739(8) . ?
Dy3 C33 2.739(8) 2_556 ?
O17 C33 1.241(9) . ?
O18 C33 1.263(9) . ?
O21 C43 1.422(9) . ?
O21 H21 0.9300 . ?
O19 C38 1.263(8) . ?
O20 C38 1.268(8) . ?
C38 C39 1.510(10) . ?
C39 C42 1.500(12) . ?
C39 C40 1.532(11) . ?
C39 C41 1.546(11) . ?
C41 H35A 0.9600 . ?
C41 H35B 0.9600 . ?
C41 H35C 0.9600 . ?
C40 H36A 0.9600 . ?
C40 H36B 0.9600 . ?
C40 H36C 0.9600 . ?
C42 H37A 0.9600 . ?
C42 H37B 0.9600 . ?
C42 H37C 0.9600 . ?
C33 C34 1.532(11) . ?
C34 C36 1.525(12) . ?
C34 C35 1.532(11) . ?
C34 C37 1.543(12) . ?
C35 H40A 0.9600 . ?
C35 H40B 0.9600 . ?
C35 H40C 0.9600 . ?
C37 H41A 0.9600 . ?
C37 H41B 0.9600 . ?
C37 H41C 0.9600 . ?
C36 H42A 0.9600 . ?
C36 H42B 0.9600 . ?
C36 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
O22 C44 1.424(9) . ?
O22 H22 0.8200 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
O23 C45 1.422(10) . ?
O23 H23 0.8200 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Dy1 O4 111.8(2) . 2_656 ?
O4 Dy1 O15 78.67(15) . . ?
O4 Dy1 O15 68.60(15) 2_656 . ?
O4 Dy1 O15 68.60(15) . 2_656 ?
O4 Dy1 O15 78.67(15) 2_656 2_656 ?
O15 Dy1 O15 120.0(2) . 2_656 ?
O4 Dy1 O16 84.05(15) . . ?
O4 Dy1 O16 144.44(16) 2_656 . ?
O15 Dy1 O16 84.70(15) . . ?
O15 Dy1 O16 136.51(15) 2_656 . ?
O4 Dy1 O16 144.44(16) . 2_656 ?
O4 Dy1 O16 84.05(15) 2_656 2_656 ?
O15 Dy1 O16 136.51(15) . 2_656 ?
O15 Dy1 O16 84.70(15) 2_656 2_656 ?
O16 Dy1 O16 101.5(2) . 2_656 ?
O4 Dy1 O5 70.99(14) . . ?
O4 Dy1 O5 139.94(15) 2_656 . ?
O15 Dy1 O5 144.60(14) . . ?
O15 Dy1 O5 64.98(14) 2_656 . ?
O16 Dy1 O5 74.60(14) . . ?
O16 Dy1 O5 76.69(14) 2_656 . ?
O4 Dy1 O5 139.94(14) . 2_656 ?
O4 Dy1 O5 70.99(14) 2_656 2_656 ?
O15 Dy1 O5 64.98(14) . 2_656 ?
O15 Dy1 O5 144.59(14) 2_656 2_656 ?
O16 Dy1 O5 76.69(14) . 2_656 ?
O16 Dy1 O5 74.60(15) 2_656 2_656 ?
O5 Dy1 O5 133.86(19) . 2_656 ?
O4 Dy1 Co2 71.46(11) . . ?
O4 Dy1 Co2 107.20(11) 2_656 . ?
O15 Dy1 Co2 145.71(10) . . ?
O15 Dy1 Co2 32.22(10) 2_656 . ?
O16 Dy1 Co2 108.04(11) . . ?
O16 Dy1 Co2 73.47(11) 2_656 . ?
O5 Dy1 Co2 33.63(10) . . ?
O5 Dy1 Co2 148.02(10) 2_656 . ?
O4 Dy1 Co2 107.21(11) . 2_656 ?
O4 Dy1 Co2 71.46(11) 2_656 2_656 ?
O15 Dy1 Co2 32.22(10) . 2_656 ?
O15 Dy1 Co2 145.71(10) 2_656 2_656 ?
O16 Dy1 Co2 73.47(11) . 2_656 ?
O16 Dy1 Co2 108.04(11) 2_656 2_656 ?
O5 Dy1 Co2 148.02(10) . 2_656 ?
O5 Dy1 Co2 33.63(10) 2_656 2_656 ?
Co2 Dy1 Co2 177.73(3) . 2_656 ?
O4 Dy1 Co1 35.88(10) . . ?
O4 Dy1 Co1 142.08(11) 2_656 . ?
O15 Dy1 Co1 108.11(11) . . ?
O15 Dy1 Co1 70.73(11) 2_656 . ?
O16 Dy1 Co1 67.47(11) . . ?
O16 Dy1 Co1 114.03(11) 2_656 . ?
O5 Dy1 Co1 37.35(10) . . ?
O5 Dy1 Co1 144.09(10) 2_656 . ?
Co2 Dy1 Co1 53.24(2) . . ?
Co2 Dy1 Co1 126.70(2) 2_656 . ?
O4 Dy1 Co1 142.08(11) . 2_656 ?
O4 Dy1 Co1 35.88(11) 2_656 2_656 ?
O15 Dy1 Co1 70.73(11) . 2_656 ?
O15 Dy1 Co1 108.11(11) 2_656 2_656 ?
O16 Dy1 Co1 114.03(11) . 2_656 ?
O16 Dy1 Co1 67.47(11) 2_656 2_656 ?
O5 Dy1 Co1 144.09(10) . 2_656 ?
O5 Dy1 Co1 37.35(10) 2_656 2_656 ?
Co2 Dy1 Co1 126.70(2) . 2_656 ?
Co2 Dy1 Co1 53.25(2) 2_656 2_656 ?
Co1 Dy1 Co1 177.81(3) . 2_656 ?
O12 Dy2 O14 77.46(18) . . ?
O12 Dy2 O7 78.97(17) . . ?
O14 Dy2 O7 137.80(17) . . ?
O12 Dy2 O9 149.87(17) . . ?
O14 Dy2 O9 74.17(18) . . ?
O7 Dy2 O9 116.54(18) . . ?
O12 Dy2 O4 106.75(16) . . ?
O14 Dy2 O4 84.03(17) . . ?
O7 Dy2 O4 136.54(15) . . ?
O9 Dy2 O4 80.28(16) . . ?
O12 Dy2 O13 94.24(18) . . ?
O14 Dy2 O13 79.94(18) . . ?
O7 Dy2 O13 67.46(17) . . ?
O9 Dy2 O13 71.14(18) . . ?
O4 Dy2 O13 150.08(17) . . ?
O12 Dy2 O3 136.74(16) . . ?
O14 Dy2 O3 142.44(17) . . ?
O7 Dy2 O3 75.00(15) . . ?
O9 Dy2 O3 73.38(15) . . ?
O4 Dy2 O3 72.35(14) . . ?
O13 Dy2 O3 106.57(17) . . ?
O12 Dy2 O15 74.10(15) . 2_656 ?
O14 Dy2 O15 129.80(16) . 2_656 ?
O7 Dy2 O15 74.73(15) . 2_656 ?
O9 Dy2 O15 133.22(15) . 2_656 ?
O4 Dy2 O15 66.24(15) . 2_656 ?
O13 Dy2 O15 141.95(17) . 2_656 ?
O3 Dy2 O15 66.08(14) . 2_656 ?
O12 Dy2 Co2 103.78(12) . . ?
O14 Dy2 Co2 155.81(13) . . ?
O7 Dy2 Co2 64.54(11) . . ?
O9 Dy2 Co2 106.24(12) . . ?
O4 Dy2 Co2 72.41(10) . . ?
O13 Dy2 Co2 123.60(13) . . ?
O3 Dy2 Co2 33.40(10) . . ?
O15 Dy2 Co2 34.10(10) 2_656 . ?
O12 Dy2 Co1 137.75(12) . . ?
O14 Dy2 Co1 108.61(13) . . ?
O7 Dy2 Co1 112.41(11) . . ?
O9 Dy2 Co1 63.11(12) . . ?
O4 Dy2 Co1 36.83(11) . . ?
O13 Dy2 Co1 127.95(14) . . ?
O3 Dy2 Co1 38.18(10) . . ?
O15 Dy2 Co1 70.62(10) 2_656 . ?
Co2 Dy2 Co1 54.18(2) . . ?
O12 Dy2 Dy1 81.52(12) . . ?
O14 Dy2 Dy1 100.72(13) . . ?
O7 Dy2 Dy1 109.81(11) . . ?
O9 Dy2 Dy1 113.42(12) . . ?
O4 Dy2 Dy1 34.18(10) . . ?
O13 Dy2 Dy1 175.42(14) . . ?
O3 Dy2 Dy1 75.71(10) . . ?
O15 Dy2 Dy1 35.08(10) 2_656 . ?
Co2 Dy2 Dy1 56.315(16) . . ?
Co1 Dy2 Dy1 56.236(16) . . ?
O8 Co1 O4 95.65(19) . . ?
O8 Co1 O10 86.9(2) . . ?
O4 Co1 O10 165.96(19) . . ?
O8 Co1 O5 173.02(19) . . ?
O4 Co1 O5 83.51(16) . . ?
O10 Co1 O5 95.57(18) . . ?
O8 Co1 O3 97.43(18) . . ?
O4 Co1 O3 84.13(17) . . ?
O10 Co1 O3 109.28(18) . . ?
O5 Co1 O3 75.59(16) . . ?
O8 Co1 O11 88.19(19) . . ?
O4 Co1 O11 105.27(18) . . ?
O10 Co1 O11 60.94(19) . . ?
O5 Co1 O11 98.72(17) . . ?
O3 Co1 O11 168.59(17) . . ?
O8 Co1 Dy2 85.61(14) . . ?
O4 Co1 Dy2 43.21(12) . . ?
O10 Co1 Dy2 150.81(14) . . ?
O5 Co1 Dy2 89.08(11) . . ?
O3 Co1 Dy2 44.22(11) . . ?
O11 Co1 Dy2 146.70(13) . . ?
O8 Co1 Dy1 135.38(15) . . ?
O4 Co1 Dy1 40.84(11) . . ?
O10 Co1 Dy1 132.49(14) . . ?
O5 Co1 Dy1 45.48(12) . . ?
O3 Co1 Dy1 88.65(12) . . ?
O11 Co1 Dy1 94.32(12) . . ?
Dy2 Co1 Dy1 68.432(19) . . ?
N1 Co2 O1 95.5(2) . . ?
N1 Co2 O6 86.3(2) . . ?
O1 Co2 O6 85.76(19) . . ?
N1 Co2 O3 85.9(2) . . ?
O1 Co2 O3 177.3(2) . . ?
O6 Co2 O3 96.67(19) . . ?
N1 Co2 O15 173.1(2) . 2_656 ?
O1 Co2 O15 91.34(18) . 2_656 ?
O6 Co2 O15 93.07(19) . 2_656 ?
O3 Co2 O15 87.29(18) . 2_656 ?
N1 Co2 O5 96.6(2) . . ?
O1 Co2 O5 92.28(18) . . ?
O6 Co2 O5 176.65(19) . . ?
O3 Co2 O5 85.23(18) . . ?
O15 Co2 O5 84.26(18) 2_656 . ?
N1 Co2 Dy2 127.91(16) . . ?
O1 Co2 Dy2 135.01(13) . . ?
O6 Co2 Dy2 86.00(13) . . ?
O3 Co2 Dy2 44.24(13) . . ?
O15 Co2 Dy2 45.14(13) 2_656 . ?
O5 Co2 Dy2 93.50(12) . . ?
N1 Co2 Dy1 141.48(16) . . ?
O1 Co2 Dy1 84.39(14) . . ?
O6 Co2 Dy1 131.94(14) . . ?
O3 Co2 Dy1 93.04(14) . . ?
O15 Co2 Dy1 40.47(13) 2_656 . ?
O5 Co2 Dy1 45.03(12) . . ?
Dy2 Co2 Dy1 69.166(19) . . ?
C11 O10 Co1 91.3(4) . . ?
C11 O11 Co1 86.0(4) . . ?
C16 O8 Co1 123.7(5) . . ?
C16 O9 Dy2 140.5(5) . . ?
C1 O1 Co2 124.1(4) . . ?
C2 O2 C7 117.2(5) . . ?
C31 O5 Co2 116.8(4) . . ?
C31 O5 Co1 118.2(4) . . ?
Co2 O5 Co1 99.17(18) . . ?
C31 O5 Dy1 120.3(4) . . ?
Co2 O5 Dy1 101.35(17) . . ?
Co1 O5 Dy1 97.17(16) . . ?
C10 O3 Co2 108.4(4) . . ?
C10 O3 Co1 116.3(4) . . ?
Co2 O3 Co1 100.00(18) . . ?
C10 O3 Dy2 128.1(3) . . ?
Co2 O3 Dy2 102.36(18) . . ?
Co1 O3 Dy2 97.60(17) . . ?
C21 O7 Dy2 136.7(4) . . ?
C26 O12 Dy2 161.6(5) . . ?
Co1 O4 Dy1 103.28(17) . . ?
Co1 O4 Dy2 99.95(18) . . ?
Dy1 O4 Dy2 110.71(17) . . ?
Co1 O4 H4A 113.9 . . ?
Dy1 O4 H4A 113.9 . . ?
Dy2 O4 H4A 113.9 . . ?
C26 O14 Dy2 132.1(5) 2_656 . ?
C32 O13 Dy2 129.0(6) . . ?
C32 O13 H13 115.5 . . ?
Dy2 O13 H13 115.5 . . ?
Co2 O15 Dy1 107.31(18) 2_656 . ?
Co2 O15 Dy2 100.75(18) 2_656 2_656 ?
Dy1 O15 Dy2 108.26(17) . 2_656 ?
Co2 O15 H15 105(5) 2_656 . ?
Dy1 O15 H15 107(5) . . ?
Dy2 O15 H15 127(5) 2_656 . ?
Dy1 O16 H16E 120.0 . . ?
Dy1 O16 H16F 120.0 . . ?
H16E O16 H16F 120.0 . . ?
C21 O6 Co2 127.2(5) . . ?
C8 N1 C9 120.7(6) . . ?
C8 N1 Co2 125.8(5) . . ?
C9 N1 Co2 112.9(4) . . ?
O1 C1 C6 125.3(6) . . ?
O1 C1 C2 116.1(6) . . ?
C6 C1 C2 118.6(6) . . ?
O2 C2 C3 124.9(6) . . ?
O2 C2 C1 114.3(6) . . ?
C3 C2 C1 120.7(7) . . ?
C4 C3 C2 119.5(7) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 120.8(7) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.1(7) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 C5 120.2(7) . . ?
C1 C6 C8 122.2(6) . . ?
C5 C6 C8 117.6(7) . . ?
N1 C8 C6 125.4(6) . . ?
N1 C8 H7 117.3 . . ?
C6 C8 H7 117.3 . . ?
N1 C9 C10 106.4(5) . . ?
N1 C9 H8A 110.5 . . ?
C10 C9 H8A 110.5 . . ?
N1 C9 H8B 110.5 . . ?
C10 C9 H8B 110.5 . . ?
H8A C9 H8B 108.6 . . ?
O10 C11 O11 120.1(6) . . ?
O10 C11 C12 120.4(7) . . ?
O11 C11 C12 119.4(7) . . ?
C13 C12 C15 109.9(7) . . ?
C13 C12 C14 109.0(7) . . ?
C15 C12 C14 110.4(8) . . ?
C13 C12 C11 111.7(7) . . ?
C15 C12 C11 111.2(7) . . ?
C14 C12 C11 104.5(6) . . ?
C12 C15 H11A 109.5 . . ?
C12 C15 H11B 109.5 . . ?
H11A C15 H11B 109.5 . . ?
C12 C15 H11C 109.5 . . ?
H11A C15 H11C 109.5 . . ?
H11B C15 H11C 109.5 . . ?
C12 C13 H12A 109.5 . . ?
C12 C13 H12B 109.5 . . ?
H12A C13 H12B 109.5 . . ?
C12 C13 H12C 109.5 . . ?
H12A C13 H12C 109.5 . . ?
H12B C13 H12C 109.5 . . ?
C12 C14 H13A 109.5 . . ?
C12 C14 H13B 109.5 . . ?
H13A C14 H13B 109.5 . . ?
C12 C14 H13C 109.5 . . ?
H13A C14 H13C 109.5 . . ?
H13B C14 H13C 109.5 . . ?
O9 C16 O8 125.3(7) . . ?
O9 C16 C17 116.3(7) . . ?
O8 C16 C17 118.4(7) . . ?
C18 C17 C19 112.3(8) . . ?
C18 C17 C16 109.2(7) . . ?
C19 C17 C16 108.0(7) . . ?
C18 C17 C20 108.9(8) . . ?
C19 C17 C20 108.2(7) . . ?
C16 C17 C20 110.3(7) . . ?
C17 C18 H16A 109.5 . . ?
C17 C18 H16B 109.5 . . ?
H16A C18 H16B 109.5 . . ?
C17 C18 H16C 109.5 . . ?
H16A C18 H16C 109.5 . . ?
H16B C18 H16C 109.5 . . ?
C17 C20 H17A 109.5 . . ?
C17 C20 H17B 109.5 . . ?
H17A C20 H17B 109.5 . . ?
C17 C20 H17C 109.5 . . ?
H17A C20 H17C 109.5 . . ?
H17B C20 H17C 109.5 . . ?
C17 C19 H18A 109.5 . . ?
C17 C19 H18B 109.5 . . ?
H18A C19 H18B 109.5 . . ?
C17 C19 H18C 109.5 . . ?
H18A C19 H18C 109.5 . . ?
H18B C19 H18C 109.5 . . ?
O7 C21 O6 124.6(7) . . ?
O7 C21 C22 121.1(6) . . ?
O6 C21 C22 114.3(7) . . ?
C24 C22 C21 110.0(6) . . ?
C24 C22 C23 110.4(7) . . ?
C21 C22 C23 111.9(7) . . ?
C24 C22 C25 109.3(8) . . ?
C21 C22 C25 107.0(6) . . ?
C23 C22 C25 108.1(6) . . ?
C22 C24 H21A 109.5 . . ?
C22 C24 H21B 109.5 . . ?
H21A C24 H21B 109.5 . . ?
C22 C24 H21C 109.5 . . ?
H21A C24 H21C 109.5 . . ?
H21B C24 H21C 109.5 . . ?
C22 C23 H22A 109.5 . . ?
C22 C23 H22B 109.5 . . ?
H22A C23 H22B 109.5 . . ?
C22 C23 H22C 109.5 . . ?
H22A C23 H22C 109.5 . . ?
H22B C23 H22C 109.5 . . ?
C22 C25 H23A 109.5 . . ?
C22 C25 H23B 109.5 . . ?
H23A C25 H23B 109.5 . . ?
C22 C25 H23C 109.5 . . ?
H23A C25 H23C 109.5 . . ?
H23B C25 H23C 109.5 . . ?
C30 C27 C28 112.4(8) . . ?
C30 C27 C26 106.1(7) . . ?
C28 C27 C26 110.4(7) . . ?
C30 C27 C29 111.4(9) . . ?
C28 C27 C29 106.4(7) . . ?
C26 C27 C29 110.2(6) . . ?
C27 C30 H25A 109.5 . . ?
C27 C30 H25B 109.5 . . ?
H25A C30 H25B 109.5 . . ?
C27 C30 H25C 109.5 . . ?
H25A C30 H25C 109.5 . . ?
H25B C30 H25C 109.5 . . ?
C27 C29 H26A 109.5 . . ?
C27 C29 H26B 109.5 . . ?
H26A C29 H26B 109.5 . . ?
C27 C29 H26C 109.5 . . ?
H26A C29 H26C 109.5 . . ?
H26B C29 H26C 109.5 . . ?
C27 C28 H27A 109.5 . . ?
C27 C28 H27B 109.5 . . ?
H27A C28 H27B 109.5 . . ?
C27 C28 H27C 109.5 . . ?
H27A C28 H27C 109.5 . . ?
H27B C28 H27C 109.5 . . ?
O2 C7 H28A 109.5 . . ?
O2 C7 H28B 109.5 . . ?
H28A C7 H28B 109.5 . . ?
O2 C7 H28C 109.5 . . ?
H28A C7 H28C 109.5 . . ?
H28B C7 H28C 109.5 . . ?
O3 C10 C9 107.4(5) . . ?
O3 C10 H29A 110.2 . . ?
C9 C10 H29A 110.2 . . ?
O3 C10 H29B 110.2 . . ?
C9 C10 H29B 110.2 . . ?
H29A C10 H29B 108.5 . . ?
O13 C32 H30A 109.5 . . ?
O13 C32 H30B 109.5 . . ?
H30A C32 H30B 109.5 . . ?
O13 C32 H30C 109.5 . . ?
H30A C32 H30C 109.5 . . ?
H30B C32 H30C 109.5 . . ?
O12 C26 O14 122.9(7) . 2_656 ?
O12 C26 C27 119.0(7) . . ?
O14 C26 C27 118.1(7) 2_656 . ?
O5 C31 H32A 109.5 . . ?
O5 C31 H32B 109.5 . . ?
H32A C31 H32B 109.5 . . ?
O5 C31 H32C 109.5 . . ?
H32A C31 H32C 109.5 . . ?
H32B C31 H32C 109.5 . . ?
O19 Dy3 O19 92.3(3) . 2_556 ?
O19 Dy3 O21 77.92(18) . 2_556 ?
O19 Dy3 O21 77.20(18) 2_556 2_556 ?
O19 Dy3 O21 77.20(18) . . ?
O19 Dy3 O21 77.92(18) 2_556 . ?
O21 Dy3 O21 143.8(3) 2_556 . ?
O19 Dy3 O18 92.85(19) . . ?
O19 Dy3 O18 152.14(18) 2_556 . ?
O21 Dy3 O18 77.15(19) 2_556 . ?
O21 Dy3 O18 129.89(18) . . ?
O19 Dy3 O18 152.14(18) . 2_556 ?
O19 Dy3 O18 92.85(19) 2_556 2_556 ?
O21 Dy3 O18 129.89(18) 2_556 2_556 ?
O21 Dy3 O18 77.15(19) . 2_556 ?
O18 Dy3 O18 95.3(3) . 2_556 ?
O19 Dy3 O17 81.01(19) . . ?
O19 Dy3 O17 153.45(18) 2_556 . ?
O21 Dy3 O17 125.51(17) 2_556 . ?
O21 Dy3 O17 75.54(17) . . ?
O18 Dy3 O17 54.35(18) . . ?
O18 Dy3 O17 82.24(19) 2_556 . ?
O19 Dy3 O17 153.45(18) . 2_556 ?
O19 Dy3 O17 81.01(19) 2_556 2_556 ?
O21 Dy3 O17 75.54(17) 2_556 2_556 ?
O21 Dy3 O17 125.51(17) . 2_556 ?
O18 Dy3 O17 82.24(19) . 2_556 ?
O18 Dy3 O17 54.35(18) 2_556 2_556 ?
O17 Dy3 O17 115.6(3) . 2_556 ?
O19 Dy3 C33 86.7(2) . . ?
O19 Dy3 C33 178.8(2) 2_556 . ?
O21 Dy3 C33 101.9(2) 2_556 . ?
O21 Dy3 C33 102.5(2) . . ?
O18 Dy3 C33 27.43(19) . . ?
O18 Dy3 C33 88.4(2) 2_556 . ?
O17 Dy3 C33 26.93(19) . . ?
O17 Dy3 C33 99.7(2) 2_556 . ?
O19 Dy3 C33 178.8(2) . 2_556 ?
O19 Dy3 C33 86.7(2) 2_556 2_556 ?
O21 Dy3 C33 102.5(2) 2_556 2_556 ?
O21 Dy3 C33 101.9(2) . 2_556 ?
O18 Dy3 C33 88.4(2) . 2_556 ?
O18 Dy3 C33 27.43(19) 2_556 2_556 ?
O17 Dy3 C33 99.7(2) . 2_556 ?
O17 Dy3 C33 26.93(19) 2_556 2_556 ?
C33 Dy3 C33 94.4(3) . 2_556 ?
C33 O17 Dy3 91.0(5) . . ?
C33 O18 Dy3 92.5(5) . . ?
C43 O21 Dy3 127.0(5) . . ?
C43 O21 H21 116.5 . . ?
Dy3 O21 H21 116.5 . . ?
C38 O19 Dy3 137.5(5) . . ?
O19 C38 O20 123.4(7) . . ?
O19 C38 C39 118.1(7) . . ?
O20 C38 C39 118.5(7) . . ?
C42 C39 C38 110.5(7) . . ?
C42 C39 C40 110.0(7) . . ?
C38 C39 C40 106.4(6) . . ?
C42 C39 C41 109.8(7) . . ?
C38 C39 C41 112.6(7) . . ?
C40 C39 C41 107.4(7) . . ?
C39 C41 H35A 109.5 . . ?
C39 C41 H35B 109.5 . . ?
H35A C41 H35B 109.5 . . ?
C39 C41 H35C 109.5 . . ?
H35A C41 H35C 109.5 . . ?
H35B C41 H35C 109.5 . . ?
C39 C40 H36A 109.5 . . ?
C39 C40 H36B 109.5 . . ?
H36A C40 H36B 109.5 . . ?
C39 C40 H36C 109.5 . . ?
H36A C40 H36C 109.5 . . ?
H36B C40 H36C 109.5 . . ?
C39 C42 H37A 109.5 . . ?
C39 C42 H37B 109.5 . . ?
H37A C42 H37B 109.5 . . ?
C39 C42 H37C 109.5 . . ?
H37A C42 H37C 109.5 . . ?
H37B C42 H37C 109.5 . . ?
O17 C33 O18 122.1(7) . . ?
O17 C33 C34 119.3(7) . . ?
O18 C33 C34 118.4(7) . . ?
O17 C33 Dy3 62.1(4) . . ?
O18 C33 Dy3 60.0(4) . . ?
C34 C33 Dy3 175.0(6) . . ?
C36 C34 C35 108.8(7) . . ?
C36 C34 C33 108.2(7) . . ?
C35 C34 C33 110.2(7) . . ?
C36 C34 C37 109.4(8) . . ?
C35 C34 C37 109.9(7) . . ?
C33 C34 C37 110.3(7) . . ?
C34 C35 H40A 109.5 . . ?
C34 C35 H40B 109.5 . . ?
H40A C35 H40B 109.5 . . ?
C34 C35 H40C 109.5 . . ?
H40A C35 H40C 109.5 . . ?
H40B C35 H40C 109.5 . . ?
C34 C37 H41A 109.5 . . ?
C34 C37 H41B 109.5 . . ?
H41A C37 H41B 109.5 . . ?
C34 C37 H41C 109.5 . . ?
H41A C37 H41C 109.5 . . ?
H41B C37 H41C 109.5 . . ?
C34 C36 H42A 109.5 . . ?
C34 C36 H42B 109.5 . . ?
H42A C36 H42B 109.5 . . ?
C34 C36 H42C 109.5 . . ?
H42A C36 H42C 109.5 . . ?
H42B C36 H42C 109.5 . . ?
O21 C43 H43A 109.5 . . ?
O21 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
O21 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C44 O22 H22 109.5 . . ?
O22 C44 H44A 109.5 . . ?
O22 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O22 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C45 O23 H23 109.5 . . ?
O23 C45 H45A 109.5 . . ?
O23 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O23 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?

_refine_diff_density_max         3.778
_refine_diff_density_min         -2.872
_refine_diff_density_rms         0.162

####################################################################### 
# 
# 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_Complex1
_database_code_depnum_ccdc_archive 'CCDC 1993966'
loop_
_audit_author_name
_audit_author_address
'Dipmalya Basak'
;Indian Institute of Technology Kharagpur
India
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-05-21 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT242_Complex1            
;
PROBLEM: Low    MainMol Ueq as Compared to Neighbors of        C11 Check
         Low    MainMol Ueq as Compared to Neighbors of        C16 Check
         Low    MainMol Ueq as Compared to Neighbors of        C26 Check
         Low    MainMol Ueq as Compared to Neighbors of        C31 Check 
         Low    MainMol Ueq as Compared to Neighbors of        C36 Check
RESPONSE: This is due to the presence of t-butyl moiety. The checkCIF 
procedure says "False alarms may occur for terminal groups such as 
the t-butyl moiety." Attempt to split the t-butyl carbon atoms did not 
get rid of this alert.
;
_vrf_PLAT342_Complex1            
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.0265 Ang.
RESPONSE: The data was collected on the best possible crystal and no further 
improvements were possible. Possible occurance due to the presence of t-butyl 
moiety as mentioned earlier.
;
_vrf_PLAT420_Complex1            
;
PROBLEM: D-H Without Acceptor       O13      --H13A     .     Please Check
RESPONSE: The H atoms on O13 of the coordinated water molecules were fixed at 
calculated positions as they could not be assigned from electron density map 
and the best possible effort was made to fix them.
;
_vrf_PLAT430_Complex1            
;
PROBLEM: Short Inter D...A Contact  O20      ..O23      .       2.77 Ang.
RESPONSE: This is due to disorder of the solvent water molecule O23.
;
_vrf_PLAT910_Complex1            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         14 Note
RESPONSE: Reduction of beam stop mask did not yield significant improvement. 
Most of those missing strong reflections appeared to be very strong and were 
treated as overflows.
;
_vrf_PLAT971_Complex1            
;
PROBLEM: Check Calcd Resid. Dens.  1.02A   From Dy3             2.80 eA-3
RESPONSE: The residual density peak could not be modelled as any chemically 
sensible species.Its presence is likely due to the presence of a strong 
absorber in its proximity (Dysprosium) and/or imperfections in the 
absorption corrections.
;
_vrf_PLAT972_Complex1            
;
PROBLEM: Check Calcd Resid. Dens.  2.51A   From C29            -3.19 eA-3
         Check Calcd Resid. Dens.  0.62A   From Dy3            -2.56 eA-3
RESPONSE: These are likely due to imperfections in the absorption 
corrections. No unaccounted for twinning could be identified on examination 
of the data.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H108 Co4 Dy3 N2 O30, C22 H44 Dy O10, 4(O)'
_chemical_formula_sum            'C82 H160 Co4 Dy4 N2 O44'
_chemical_formula_weight         2763.78

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'
Co Co 0.3494 0.9721 '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           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

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

_cell_length_a                   18.8939(15)
_cell_length_b                   12.3083(11)
_cell_length_c                   27.250(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.951(4)
_cell_angle_gamma                90
_cell_volume                     6028.6(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    43369
_cell_measurement_theta_min      2.755
_cell_measurement_theta_max      25.141

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             2764
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    3.057
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.470
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43369
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.755
_diffrn_reflns_theta_max         25.141
_diffrn_reflns_theta_full        25.141
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             10802
_reflns_number_gt                7736
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Diamond
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0506P)²+86.7969P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10646
_refine_ls_number_parameters     635
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0672
_refine_ls_wR_factor_ref         0.1773
_refine_ls_wR_factor_gt          0.1601
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.004

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 0.7500 -0.03494(5) 0.2500 0.03276(18) Uani 1 2 d S T P . .
Dy2 Dy 0.62076(3) 0.21186(4) 0.24650(2) 0.04353(17) Uani 1 1 d . . . . .
Dy3 Dy 0.2500 0.70063(9) 0.2500 0.0646(3) Uani 1 2 d DS T P . .
Co2 Co 0.55801(7) -0.03663(11) 0.19961(5) 0.0365(3) Uani 1 1 d . . . . .
Co1 Co 0.62480(8) -0.01592(12) 0.31874(6) 0.0408(3) Uani 1 1 d . . . . .
O15 O 0.7009(4) 0.0817(5) 0.2990(3) 0.0363(16) Uani 1 1 d D . . . .
H15 H 0.7386 0.1132 0.3288 0.044 Uiso 1 1 calc DR U . . .
O4 O 0.6414(4) 0.0541(6) 0.1983(3) 0.0384(16) Uani 1 1 d . . . . .
O3 O 0.5475(4) 0.0550(6) 0.2533(3) 0.0390(16) Uani 1 1 d . . . . .
O16 O 0.7156(4) -0.1544(6) 0.1794(3) 0.0449(18) Uani 1 1 d . . . . .
H16A H 0.7404 -0.1410 0.1563 0.067 Uiso 1 1 d R U . . .
H16B H 0.6678 -0.1446 0.1599 0.067 Uiso 1 1 d R U . . .
O5 O 0.6319(4) -0.1101(5) 0.2555(3) 0.0377(16) Uani 1 1 d . . . . .
O1 O 0.5727(4) -0.1308(6) 0.1493(3) 0.0470(19) Uani 1 1 d . . . . .
O7 O 0.5207(5) 0.2121(7) 0.1701(3) 0.059(2) Uani 1 1 d . . . . .
O6 O 0.4912(4) 0.0413(7) 0.1446(3) 0.0513(19) Uani 1 1 d . . . . .
O11 O 0.6961(4) -0.1110(6) 0.3804(3) 0.053(2) Uani 1 1 d . . . . .
O10 O 0.5783(5) -0.1413(7) 0.3532(3) 0.061(2) Uani 1 1 d . . . . .
O12 O 0.6778(5) 0.2819(7) 0.1904(4) 0.066(2) Uani 1 1 d . . . . .
O14 O 0.7913(5) 0.3334(7) 0.2025(4) 0.067(2) Uani 1 1 d . . . . .
O9 O 0.5875(5) 0.2346(7) 0.3236(4) 0.064(2) Uani 1 1 d . . . . .
O8 O 0.6055(6) 0.0857(8) 0.3708(4) 0.074(3) Uani 1 1 d . . . . .
N1 N 0.4739(5) -0.1107(8) 0.2048(4) 0.045(2) Uani 1 1 d . . . . .
O18 O 0.2311(6) 0.8164(10) 0.3141(5) 0.102(4) Uani 1 1 d . . . . .
O21 O 0.1316(6) 0.6406(11) 0.2549(4) 0.090(3) Uani 1 1 d D . . . .
O13 O 0.5481(7) 0.3736(8) 0.2439(4) 0.097(4) Uani 1 1 d . . . . .
H13A H 0.5766 0.4485 0.2494 0.146 Uiso 1 1 d R U . . .
H13B H 0.5240 0.3838 0.2736 0.146 Uiso 1 1 d R U . . .
C20 C 0.6400(7) -0.1570(9) 0.3859(4) 0.048(3) Uani 1 1 d . . . . .
O17 O 0.3380(6) 0.8198(10) 0.3060(5) 0.097(4) Uani 1 1 d . . . . .
C1 C 0.5227(6) -0.1976(10) 0.1208(4) 0.050(3) Uani 1 1 d . . . . .
C9 C 0.4720(6) 0.0511(10) 0.2533(5) 0.051(3) Uani 1 1 d . . . . .
H9A H 0.4408 0.0938 0.2249 0.061 Uiso 1 1 calc R U . . .
H9B H 0.4678 0.0804 0.2853 0.061 Uiso 1 1 calc R U . . .
C10 C 0.4847(7) 0.1446(11) 0.1391(5) 0.056(3) Uani 1 1 d . . . . .
C41 C 0.6234(6) -0.2318(10) 0.2570(5) 0.057(3) Uani 1 1 d . . . . .
H41A H 0.6189 -0.2616 0.2236 0.085 Uiso 1 1 calc R U . . .
H41B H 0.5797 -0.2491 0.2663 0.085 Uiso 1 1 calc R U . . .
H41C H 0.6663 -0.2623 0.2820 0.085 Uiso 1 1 calc R U . . .
C25 C 0.7264(9) 0.3482(10) 0.1847(5) 0.060(3) Uani 1 1 d . . . . .
O19 O 0.2172(7) 0.5783(12) 0.1838(5) 0.112(4) Uani 1 1 d . . . . .
C8 C 0.4477(7) -0.0686(11) 0.2473(5) 0.057(3) Uani 1 1 d . . . . .
H8A H 0.4705 -0.1085 0.2789 0.069 Uiso 1 1 calc R U . . .
H8B H 0.3941 -0.0746 0.2385 0.069 Uiso 1 1 calc R U . . .
C6 C 0.5383(8) -0.2503(12) 0.0787(5) 0.070(4) Uani 1 1 d . . . . .
H6 H 0.5823 -0.2349 0.0715 0.084 Uiso 1 1 calc R U . . .
C2 C 0.4566(6) -0.2269(10) 0.1314(5) 0.056(3) Uani 1 1 d . . . . .
C21 C 0.6466(8) -0.2256(10) 0.4334(5) 0.060(3) Uani 1 1 d . . . . .
C15 C 0.5919(8) 0.1848(12) 0.3639(6) 0.064(4) Uani 1 1 d . . . . .
C7 C 0.4365(6) -0.1810(10) 0.1731(5) 0.049(3) Uani 1 1 d . . . . .
H7 H 0.3921 -0.2044 0.1776 0.059 Uiso 1 1 calc R U . . .
O20 O 0.3123(7) 0.5187(13) 0.1620(6) 0.128(5) Uani 1 1 d . . . . .
C26 C 0.6975(9) 0.4487(12) 0.1526(6) 0.073(4) Uani 1 1 d . . . . .
C30 C 0.2938(8) 0.8503(14) 0.3286(5) 0.070(4) Uani 1 1 d . . . . .
C11 C 0.4242(8) 0.1837(13) 0.0897(6) 0.077(4) Uani 1 1 d . . . . .
C5 C 0.4887(10) -0.3236(14) 0.0486(6) 0.092(5) Uani 1 1 d . . . . .
H5 H 0.4996 -0.3567 0.0211 0.111 Uiso 1 1 calc R U . . .
C3 C 0.4083(9) -0.3022(14) 0.0995(6) 0.091(5) Uani 1 1 d . . . . .
H3 H 0.3647 -0.3206 0.1067 0.109 Uiso 1 1 calc R U . . .
C36 C 0.1913(10) 0.4977(15) 0.1002(7) 0.090(5) Uani 1 1 d . . . . .
C35 C 0.2434(10) 0.5369(15) 0.1531(8) 0.091(5) Uani 1 1 d . . . . .
C31 C 0.3185(9) 0.9340(14) 0.3718(7) 0.084(5) Uani 1 1 d . . . . .
C16 C 0.5773(10) 0.2477(14) 0.4088(7) 0.089(5) Uani 1 1 d . U . . .
C22 C 0.7228(10) -0.2778(16) 0.4537(7) 0.116(7) Uani 1 1 d . . . . .
H22A H 0.7291 -0.3293 0.4289 0.174 Uiso 1 1 calc R U . . .
H22B H 0.7270 -0.3143 0.4856 0.174 Uiso 1 1 calc R U . . .
H22C H 0.7605 -0.2228 0.4594 0.174 Uiso 1 1 calc R U . . .
O22 O 0.8260(12) 0.0895(18) 0.4084(10) 0.221(10) Uani 1 1 d G . . . .
C34 C 0.2734(12) 0.9182(19) 0.4085(8) 0.127(8) Uani 1 1 d . . . . .
H34A H 0.2217 0.9300 0.3905 0.190 Uiso 1 1 calc R U . . .
H34B H 0.2896 0.9692 0.4365 0.190 Uiso 1 1 calc R U . . .
H34C H 0.2803 0.8456 0.4220 0.190 Uiso 1 1 calc R U . . .
C38 C 0.2285(12) 0.513(2) 0.0596(8) 0.141(9) Uani 1 1 d . . . . .
H38A H 0.2399 0.5883 0.0574 0.211 Uiso 1 1 calc R U . . .
H38B H 0.1958 0.4887 0.0270 0.211 Uiso 1 1 calc R U . . .
H38C H 0.2736 0.4711 0.0683 0.211 Uiso 1 1 calc R U . . .
C4 C 0.4222(11) -0.3496(16) 0.0583(7) 0.107(7) Uani 1 1 d . . . . .
H4A H 0.3885 -0.3980 0.0372 0.129 Uiso 1 1 calc R U . . .
C40 C 0.0617(11) 0.632(2) 0.2165(7) 0.148(10) Uani 1 1 d D . . . .
H40A H 0.0680 0.6396 0.1831 0.222 Uiso 1 1 calc R U . . .
H40B H 0.0291 0.6874 0.2215 0.222 Uiso 1 1 calc R U . . .
H40C H 0.0406 0.5616 0.2190 0.222 Uiso 1 1 calc R U . . .
C23 C 0.5904(12) -0.3135(16) 0.4215(8) 0.138(9) Uani 1 1 d . . . . .
H23A H 0.5414 -0.2824 0.4121 0.208 Uiso 1 1 calc R U . . .
H23B H 0.5977 -0.3588 0.4514 0.208 Uiso 1 1 calc R U . . .
H23C H 0.5956 -0.3565 0.3935 0.208 Uiso 1 1 calc R U . . .
C32 C 0.4008(11) 0.919(2) 0.4006(9) 0.159(11) Uani 1 1 d . . . . .
H32A H 0.4079 0.8511 0.4192 0.238 Uiso 1 1 calc R U . . .
H32B H 0.4180 0.9775 0.4244 0.238 Uiso 1 1 calc R U . . .
H32C H 0.4285 0.9174 0.3764 0.238 Uiso 1 1 calc R U . . .
C24 C 0.6362(14) -0.1504(18) 0.4743(7) 0.140(9) Uani 1 1 d . . . . .
H24A H 0.6664 -0.0869 0.4764 0.210 Uiso 1 1 calc R U . . .
H24B H 0.6507 -0.1871 0.5070 0.210 Uiso 1 1 calc R U . . .
H24C H 0.5849 -0.1295 0.4656 0.210 Uiso 1 1 calc R U . . .
C14 C 0.4359(13) 0.2970(17) 0.0768(9) 0.157(11) Uani 1 1 d . . . . .
H14A H 0.4305 0.3442 0.1034 0.236 Uiso 1 1 calc R U . . .
H14B H 0.3999 0.3160 0.0445 0.236 Uiso 1 1 calc R U . . .
H14C H 0.4851 0.3047 0.0739 0.236 Uiso 1 1 calc R U . . .
C12 C 0.420(2) 0.107(2) 0.0473(7) 0.24(2) Uani 1 1 d . . . . .
H12A H 0.4687 0.0965 0.0442 0.364 Uiso 1 1 calc R U . . .
H12B H 0.3876 0.1359 0.0156 0.364 Uiso 1 1 calc R U . . .
H12C H 0.4008 0.0387 0.0546 0.364 Uiso 1 1 calc R U . . .
C19 C 0.5628(18) 0.3645(15) 0.3978(10) 0.183(14) Uani 1 1 d . . . . .
H19A H 0.6029 0.3958 0.3880 0.274 Uiso 1 1 calc R U . . .
H19B H 0.5588 0.4005 0.4281 0.274 Uiso 1 1 calc R U . . .
H19C H 0.5171 0.3732 0.3702 0.274 Uiso 1 1 calc R U . . .
C37 C 0.1818(16) 0.3743(18) 0.1057(10) 0.174(12) Uani 1 1 d . . . . .
H37A H 0.2299 0.3411 0.1195 0.261 Uiso 1 1 calc R U . . .
H37B H 0.1568 0.3438 0.0725 0.261 Uiso 1 1 calc R U . . .
H37C H 0.1529 0.3613 0.1285 0.261 Uiso 1 1 calc R U . . .
C28 C 0.637(2) 0.500(2) 0.1690(11) 0.224(18) Uani 1 1 d . . . . .
H28A H 0.6011 0.4453 0.1700 0.336 Uiso 1 1 calc R U . . .
H28B H 0.6136 0.5555 0.1450 0.336 Uiso 1 1 calc R U . . .
H28C H 0.6578 0.5306 0.2027 0.336 Uiso 1 1 calc R U . . .
C39 C 0.1201(14) 0.558(3) 0.0867(9) 0.190(14) Uani 1 1 d . . . . .
H39A H 0.0949 0.5424 0.1115 0.285 Uiso 1 1 calc R U . . .
H39B H 0.0894 0.5367 0.0530 0.285 Uiso 1 1 calc R U . . .
H39C H 0.1299 0.6348 0.0869 0.285 Uiso 1 1 calc R U . . .
C33 C 0.3044(17) 1.0411(18) 0.3461(10) 0.179(12) Uani 1 1 d . . . . .
H33A H 0.3038 1.0337 0.3109 0.269 Uiso 1 1 calc R U . . .
H33B H 0.3430 1.0908 0.3637 0.269 Uiso 1 1 calc R U . . .
H33C H 0.2572 1.0684 0.3469 0.269 Uiso 1 1 calc R U . . .
C27 C 0.6749(18) 0.4240(18) 0.0989(8) 0.203(16) Uani 1 1 d . . . . .
H27A H 0.7174 0.4015 0.0892 0.305 Uiso 1 1 calc R U . . .
H27B H 0.6533 0.4875 0.0795 0.305 Uiso 1 1 calc R U . . .
H27C H 0.6388 0.3666 0.0918 0.305 Uiso 1 1 calc R U . . .
C17 C 0.523(2) 0.196(2) 0.4265(12) 0.221(17) Uani 1 1 d . . . . .
H17A H 0.4769 0.1911 0.3988 0.332 Uiso 1 1 calc R U . . .
H17B H 0.5150 0.2372 0.4543 0.332 Uiso 1 1 calc R U . . .
H17C H 0.5394 0.1241 0.4385 0.332 Uiso 1 1 calc R U . . .
C13 C 0.3525(10) 0.179(3) 0.1023(10) 0.201(16) Uani 1 1 d . . . . .
H13C H 0.3593 0.1368 0.1330 0.301 Uiso 1 1 calc R U . . .
H13D H 0.3149 0.1462 0.0742 0.301 Uiso 1 1 calc R U . . .
H13E H 0.3375 0.2515 0.1078 0.301 Uiso 1 1 calc R U . . .
O23 O 0.3866(18) 0.351(3) 0.2247(13) 0.321(15) Uiso 1 1 d . . . . .
C29 C 0.7535(17) 0.5347(17) 0.1643(11) 0.200(16) Uani 1 1 d . . . . .
H29A H 0.7977 0.5090 0.1578 0.300 Uiso 1 1 calc R U . . .
H29B H 0.7650 0.5550 0.1999 0.300 Uiso 1 1 calc R U . . .
H29C H 0.7345 0.5967 0.1429 0.300 Uiso 1 1 calc R U . . .
C18 C 0.6473(15) 0.239(2) 0.4535(10) 0.165 Uani 1 1 d . U . . .
H18A H 0.6372 0.2583 0.4847 0.247 Uiso 1 1 calc R U . . .
H18B H 0.6844 0.2863 0.4482 0.247 Uiso 1 1 calc R U . . .
H18C H 0.6652 0.1650 0.4562 0.247 Uiso 1 1 calc R U . . .
H21 H 0.129(4) 0.62(2) 0.284(3) 0.247 Uiso 1 1 d D U . . .
H4 H 0.637(7) 0.049(10) 0.166(5) 0.06(4) Uiso 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 O15 2.339(6) . ?
Dy1 O15 2.339(6) 2_655 ?
Dy1 O16 2.348(7) . ?
Dy1 O16 2.348(7) 2_655 ?
Dy1 O4 2.369(7) . ?
Dy1 O4 2.369(7) 2_655 ?
Dy1 O5 2.462(7) 2_655 ?
Dy1 O5 2.462(7) . ?
Dy1 Co1 3.4484(15) 2_655 ?
Dy1 Co1 3.4484(15) . ?
Dy1 Co2 3.4604(13) . ?
Dy1 Co2 3.4604(13) 2_655 ?
Dy2 O12 2.294(9) . ?
Dy2 O7 2.341(8) . ?
Dy2 O14 2.347(9) 2_655 ?
Dy2 O15 2.361(6) . ?
Dy2 O9 2.388(9) . ?
Dy2 O13 2.408(9) . ?
Dy2 O3 2.416(7) . ?
Dy2 O4 2.442(7) . ?
Dy2 Co2 3.3850(15) . ?
Dy2 Co1 3.4130(15) . ?
Dy3 O19 2.284(12) 2 ?
Dy3 O19 2.284(12) . ?
Dy3 O18 2.365(10) 2 ?
Dy3 O18 2.365(10) . ?
Dy3 O17 2.384(11) . ?
Dy3 O17 2.384(11) 2 ?
Dy3 O21 2.398(9) 2 ?
Dy3 O21 2.398(9) . ?
Dy3 C30 2.752(16) . ?
Dy3 C30 2.752(16) 2 ?
Co2 N1 1.875(9) . ?
Co2 O1 1.881(8) . ?
Co2 O6 1.897(7) . ?
Co2 O3 1.907(7) . ?
Co2 O4 1.941(7) . ?
Co2 O5 1.943(7) . ?
Co1 O8 2.008(9) . ?
Co1 O15 2.068(7) . ?
Co1 O5 2.115(7) . ?
Co1 O3 2.114(7) . ?
Co1 O10 2.131(9) . ?
Co1 O11 2.147(8) . ?
Co1 C20 2.474(11) . ?
O15 H15 0.9800 . ?
O4 H4 0.86(13) . ?
O3 C9 1.426(12) . ?
O16 H16A 0.9075 . ?
O16 H16B 0.9054 . ?
O5 C41 1.509(13) . ?
O1 C1 1.311(13) . ?
O7 C10 1.230(15) . ?
O6 C10 1.281(15) . ?
O11 C20 1.252(13) . ?
O10 C20 1.245(14) . ?
O12 C25 1.272(15) . ?
O14 C25 1.186(16) . ?
O14 Dy2 2.347(9) 2_655 ?
O9 C15 1.237(16) . ?
O8 C15 1.249(16) . ?
N1 C7 1.272(14) . ?
N1 C8 1.485(15) . ?
O18 C30 1.201(16) . ?
O21 C40 1.414(19) . ?
O21 H21 0.855(10) . ?
O13 H13A 1.0546 . ?
O13 H13B 1.0512 . ?
C20 C21 1.519(16) . ?
O17 C30 1.239(16) . ?
C1 C2 1.415(16) . ?
C1 C6 1.425(18) . ?
C9 C8 1.537(17) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.549(17) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C25 C26 1.516(17) . ?
O19 C35 1.208(19) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C6 C5 1.376(19) . ?
C6 H6 0.9300 . ?
C2 C3 1.400(18) . ?
C2 C7 1.420(17) . ?
C21 C23 1.48(2) . ?
C21 C24 1.51(2) . ?
C21 C22 1.52(2) . ?
C15 C16 1.54(2) . ?
C7 H7 0.9300 . ?
O20 C35 1.269(19) . ?
C26 C27 1.42(2) . ?
C26 C29 1.46(2) . ?
C26 C28 1.49(3) . ?
C30 C31 1.53(2) . ?
C11 C14 1.47(2) . ?
C11 C12 1.47(3) . ?
C11 C13 1.50(3) . ?
C5 C4 1.40(2) . ?
C5 H5 0.9300 . ?
C3 C4 1.36(2) . ?
C3 H3 0.9300 . ?
C36 C39 1.48(3) . ?
C36 C38 1.49(2) . ?
C36 C37 1.54(3) . ?
C36 C35 1.55(2) . ?
C31 C33 1.48(3) . ?
C31 C34 1.51(2) . ?
C31 C32 1.52(2) . ?
C16 C17 1.42(3) . ?
C16 C19 1.48(2) . ?
C16 C18 1.50(3) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C4 H4A 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C13 H13C 0.9600 . ?
C13 H13D 0.9600 . ?
C13 H13E 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C18 H18A 0.9602 . ?
C18 H18B 0.9602 . ?
C18 H18C 0.9602 . ?

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
O15 Dy1 O15 104.3(3) . 2_655 ?
O15 Dy1 O16 142.6(2) . . ?
O15 Dy1 O16 88.5(2) 2_655 . ?
O15 Dy1 O16 88.5(2) . 2_655 ?
O15 Dy1 O16 142.6(2) 2_655 2_655 ?
O16 Dy1 O16 102.5(4) . 2_655 ?
O15 Dy1 O4 68.4(2) . . ?
O15 Dy1 O4 78.4(2) 2_655 . ?
O16 Dy1 O4 80.4(2) . . ?
O16 Dy1 O4 138.3(2) 2_655 . ?
O15 Dy1 O4 78.4(2) . 2_655 ?
O15 Dy1 O4 68.4(2) 2_655 2_655 ?
O16 Dy1 O4 138.3(2) . 2_655 ?
O16 Dy1 O4 80.4(2) 2_655 2_655 ?
O4 Dy1 O4 124.9(3) . 2_655 ?
O15 Dy1 O5 142.3(2) . 2_655 ?
O15 Dy1 O5 70.7(2) 2_655 2_655 ?
O16 Dy1 O5 75.0(2) . 2_655 ?
O16 Dy1 O5 77.8(2) 2_655 2_655 ?
O4 Dy1 O5 140.6(2) . 2_655 ?
O4 Dy1 O5 64.9(2) 2_655 2_655 ?
O15 Dy1 O5 70.7(2) . . ?
O15 Dy1 O5 142.3(2) 2_655 . ?
O16 Dy1 O5 77.8(2) . . ?
O16 Dy1 O5 75.0(2) 2_655 . ?
O4 Dy1 O5 64.9(2) . . ?
O4 Dy1 O5 140.6(2) 2_655 . ?
O5 Dy1 O5 135.9(3) 2_655 . ?
O15 Dy1 Co1 136.71(17) . 2_655 ?
O15 Dy1 Co1 35.78(17) 2_655 2_655 ?
O16 Dy1 Co1 70.13(16) . 2_655 ?
O16 Dy1 Co1 115.15(16) 2_655 2_655 ?
O4 Dy1 Co1 105.01(19) . 2_655 ?
O4 Dy1 Co1 71.23(19) 2_655 2_655 ?
O5 Dy1 Co1 37.45(15) 2_655 2_655 ?
O5 Dy1 Co1 147.66(15) . 2_655 ?
O15 Dy1 Co1 35.78(17) . . ?
O15 Dy1 Co1 136.71(17) 2_655 . ?
O16 Dy1 Co1 115.15(16) . . ?
O16 Dy1 Co1 70.12(16) 2_655 . ?
O4 Dy1 Co1 71.23(19) . . ?
O4 Dy1 Co1 105.00(19) 2_655 . ?
O5 Dy1 Co1 147.66(15) 2_655 . ?
O5 Dy1 Co1 37.45(15) . . ?
Co1 Dy1 Co1 172.21(5) 2_655 . ?
O15 Dy1 Co2 71.25(16) . . ?
O15 Dy1 Co2 109.20(16) 2_655 . ?
O16 Dy1 Co2 71.33(16) . . ?
O16 Dy1 Co2 108.21(16) 2_655 . ?
O4 Dy1 Co2 32.55(17) . . ?
O4 Dy1 Co2 148.04(17) 2_655 . ?
O5 Dy1 Co2 146.35(15) 2_655 . ?
O5 Dy1 Co2 33.19(15) . . ?
Co1 Dy1 Co2 126.55(3) 2_655 . ?
Co1 Dy1 Co2 53.50(3) . . ?
O15 Dy1 Co2 109.20(16) . 2_655 ?
O15 Dy1 Co2 71.25(16) 2_655 2_655 ?
O16 Dy1 Co2 108.21(16) . 2_655 ?
O16 Dy1 Co2 71.33(16) 2_655 2_655 ?
O4 Dy1 Co2 148.04(17) . 2_655 ?
O4 Dy1 Co2 32.55(17) 2_655 2_655 ?
O5 Dy1 Co2 33.19(15) 2_655 2_655 ?
O5 Dy1 Co2 146.34(15) . 2_655 ?
Co1 Dy1 Co2 53.50(3) 2_655 2_655 ?
Co1 Dy1 Co2 126.55(3) . 2_655 ?
Co2 Dy1 Co2 179.31(5) . 2_655 ?
O12 Dy2 O7 79.8(3) . . ?
O12 Dy2 O14 76.3(3) . 2_655 ?
O7 Dy2 O14 139.1(3) . 2_655 ?
O12 Dy2 O15 108.3(3) . . ?
O7 Dy2 O15 137.0(3) . . ?
O14 Dy2 O15 82.5(3) 2_655 . ?
O12 Dy2 O9 148.0(3) . . ?
O7 Dy2 O9 115.0(3) . . ?
O14 Dy2 O9 74.6(3) 2_655 . ?
O15 Dy2 O9 80.8(3) . . ?
O12 Dy2 O13 92.9(4) . . ?
O7 Dy2 O13 71.1(3) . . ?
O14 Dy2 O13 77.5(4) 2_655 . ?
O15 Dy2 O13 146.4(3) . . ?
O9 Dy2 O13 68.1(4) . . ?
O12 Dy2 O3 138.6(3) . . ?
O7 Dy2 O3 75.2(3) . . ?
O14 Dy2 O3 141.4(3) 2_655 . ?
O15 Dy2 O3 71.7(2) . . ?
O9 Dy2 O3 73.3(3) . . ?
O13 Dy2 O3 109.1(4) . . ?
O12 Dy2 O4 75.8(3) . . ?
O7 Dy2 O4 75.0(3) . . ?
O14 Dy2 O4 128.6(3) 2_655 . ?
O15 Dy2 O4 66.9(2) . . ?
O9 Dy2 O4 134.1(3) . . ?
O13 Dy2 O4 145.7(3) . . ?
O3 Dy2 O4 66.2(2) . . ?
O12 Dy2 Co2 105.6(2) . . ?
O7 Dy2 Co2 64.7(2) . . ?
O14 Dy2 Co2 154.3(2) 2_655 . ?
O15 Dy2 Co2 72.56(16) . . ?
O9 Dy2 Co2 106.3(2) . . ?
O13 Dy2 Co2 127.3(3) . . ?
O3 Dy2 Co2 33.37(16) . . ?
O4 Dy2 Co2 34.31(17) . . ?
O12 Dy2 Co1 139.6(2) . . ?
O7 Dy2 Co1 112.5(2) . . ?
O14 Dy2 Co1 107.2(2) 2_655 . ?
O15 Dy2 Co1 36.55(16) . . ?
O9 Dy2 Co1 63.5(2) . . ?
O13 Dy2 Co1 127.4(3) . . ?
O3 Dy2 Co1 37.87(15) . . ?
O4 Dy2 Co1 71.22(18) . . ?
Co2 Dy2 Co1 54.45(4) . . ?
O12 Dy2 Dy1 83.6(2) . . ?
O7 Dy2 Dy1 110.6(2) . . ?
O14 Dy2 Dy1 99.2(2) 2_655 . ?
O15 Dy2 Dy1 34.16(16) . . ?
O9 Dy2 Dy1 113.8(2) . . ?
O13 Dy2 Dy1 175.7(3) . . ?
O3 Dy2 Dy1 75.15(15) . . ?
O4 Dy2 Dy1 35.61(17) . . ?
Co2 Dy2 Dy1 56.39(2) . . ?
Co1 Dy2 Dy1 55.99(3) . . ?
O19 Dy3 O19 97.5(8) 2 . ?
O19 Dy3 O18 156.2(4) 2 2 ?
O19 Dy3 O18 83.1(5) . 2 ?
O19 Dy3 O18 83.1(5) 2 . ?
O19 Dy3 O18 156.2(4) . . ?
O18 Dy3 O18 105.9(7) 2 . ?
O19 Dy3 O17 86.2(5) 2 . ?
O19 Dy3 O17 151.3(4) . . ?
O18 Dy3 O17 82.4(4) 2 . ?
O18 Dy3 O17 52.4(3) . . ?
O19 Dy3 O17 151.3(4) 2 2 ?
O19 Dy3 O17 86.2(5) . 2 ?
O18 Dy3 O17 52.4(3) 2 2 ?
O18 Dy3 O17 82.4(4) . 2 ?
O17 Dy3 O17 104.0(6) . 2 ?
O19 Dy3 O21 79.1(4) 2 2 ?
O19 Dy3 O21 77.5(4) . 2 ?
O18 Dy3 O21 77.8(4) 2 2 ?
O18 Dy3 O21 125.6(4) . 2 ?
O17 Dy3 O21 75.3(4) . 2 ?
O17 Dy3 O21 129.2(4) 2 2 ?
O19 Dy3 O21 77.5(4) 2 . ?
O19 Dy3 O21 79.1(4) . . ?
O18 Dy3 O21 125.6(4) 2 . ?
O18 Dy3 O21 77.8(4) . . ?
O17 Dy3 O21 129.2(4) . . ?
O17 Dy3 O21 75.3(4) 2 . ?
O21 Dy3 O21 144.1(6) 2 . ?
O19 Dy3 C30 83.3(5) 2 . ?
O19 Dy3 C30 177.9(5) . . ?
O18 Dy3 C30 95.4(5) 2 . ?
O18 Dy3 C30 25.7(3) . . ?
O17 Dy3 C30 26.7(4) . . ?
O17 Dy3 C30 94.0(4) 2 . ?
O21 Dy3 C30 100.8(4) 2 . ?
O21 Dy3 C30 103.0(4) . . ?
O19 Dy3 C30 177.9(5) 2 2 ?
O19 Dy3 C30 83.3(5) . 2 ?
O18 Dy3 C30 25.8(3) 2 2 ?
O18 Dy3 C30 95.4(5) . 2 ?
O17 Dy3 C30 94.0(4) . 2 ?
O17 Dy3 C30 26.7(4) 2 2 ?
O21 Dy3 C30 103.0(4) 2 2 ?
O21 Dy3 C30 100.8(4) . 2 ?
C30 Dy3 C30 96.0(6) . 2 ?
N1 Co2 O1 94.3(4) . . ?
N1 Co2 O6 86.1(4) . . ?
O1 Co2 O6 87.0(3) . . ?
N1 Co2 O3 86.5(4) . . ?
O1 Co2 O3 176.9(3) . . ?
O6 Co2 O3 96.1(3) . . ?
N1 Co2 O4 173.3(4) . . ?
O1 Co2 O4 92.2(3) . . ?
O6 Co2 O4 92.4(3) . . ?
O3 Co2 O4 87.2(3) . . ?
N1 Co2 O5 97.8(3) . . ?
O1 Co2 O5 93.0(3) . . ?
O6 Co2 O5 176.1(3) . . ?
O3 Co2 O5 83.9(3) . . ?
O4 Co2 O5 83.7(3) . . ?
N1 Co2 Dy2 128.1(3) . . ?
O1 Co2 Dy2 136.0(2) . . ?
O6 Co2 Dy2 84.9(3) . . ?
O3 Co2 Dy2 44.2(2) . . ?
O4 Co2 Dy2 45.2(2) . . ?
O5 Co2 Dy2 92.35(18) . . ?
N1 Co2 Dy1 141.5(3) . . ?
O1 Co2 Dy1 85.4(2) . . ?
O6 Co2 Dy1 132.2(2) . . ?
O3 Co2 Dy1 92.1(2) . . ?
O4 Co2 Dy1 41.1(2) . . ?
O5 Co2 Dy1 43.9(2) . . ?
Dy2 Co2 Dy1 69.05(3) . . ?
O8 Co1 O15 96.6(4) . . ?
O8 Co1 O5 171.2(3) . . ?
O15 Co1 O5 83.3(3) . . ?
O8 Co1 O3 96.3(3) . . ?
O15 Co1 O3 84.0(3) . . ?
O5 Co1 O3 74.9(3) . . ?
O8 Co1 O10 87.1(4) . . ?
O15 Co1 O10 161.6(3) . . ?
O5 Co1 O10 95.8(3) . . ?
O3 Co1 O10 113.5(3) . . ?
O8 Co1 O11 89.6(4) . . ?
O15 Co1 O11 101.6(3) . . ?
O5 Co1 O11 99.0(3) . . ?
O3 Co1 O11 171.4(3) . . ?
O10 Co1 O11 60.4(3) . . ?
O8 Co1 C20 85.4(4) . . ?
O15 Co1 C20 131.9(3) . . ?
O5 Co1 C20 101.3(3) . . ?
O3 Co1 C20 143.7(4) . . ?
O10 Co1 C20 30.2(3) . . ?
O11 Co1 C20 30.4(3) . . ?
O8 Co1 Dy2 85.4(3) . . ?
O15 Co1 Dy2 42.83(18) . . ?
O5 Co1 Dy2 88.62(17) . . ?
O3 Co1 Dy2 44.56(19) . . ?
O10 Co1 Dy2 155.5(2) . . ?
O11 Co1 Dy2 142.7(2) . . ?
C20 Co1 Dy2 168.5(3) . . ?
O8 Co1 Dy1 137.0(3) . . ?
O15 Co1 Dy1 41.40(18) . . ?
O5 Co1 Dy1 45.07(18) . . ?
O3 Co1 Dy1 88.93(18) . . ?
O10 Co1 Dy1 129.4(2) . . ?
O11 Co1 Dy1 91.0(2) . . ?
C20 Co1 Dy1 114.3(3) . . ?
Dy2 Co1 Dy1 68.87(3) . . ?
Co1 O15 Dy1 102.8(3) . . ?
Co1 O15 Dy2 100.6(3) . . ?
Dy1 O15 Dy2 111.3(3) . . ?
Co1 O15 H15 113.6 . . ?
Dy1 O15 H15 113.6 . . ?
Dy2 O15 H15 113.6 . . ?
Co2 O4 Dy1 106.4(3) . . ?
Co2 O4 Dy2 100.5(3) . . ?
Dy1 O4 Dy2 107.5(3) . . ?
Co2 O4 H4 99(8) . . ?
Dy1 O4 H4 112(8) . . ?
Dy2 O4 H4 129(8) . . ?
C9 O3 Co2 108.6(6) . . ?
C9 O3 Co1 114.7(6) . . ?
Co2 O3 Co1 101.2(3) . . ?
C9 O3 Dy2 128.6(6) . . ?
Co2 O3 Dy2 102.5(3) . . ?
Co1 O3 Dy2 97.6(3) . . ?
Dy1 O16 H16A 112.5 . . ?
Dy1 O16 H16B 111.8 . . ?
H16A O16 H16B 101.8 . . ?
C41 O5 Co2 115.3(6) . . ?
C41 O5 Co1 119.3(7) . . ?
Co2 O5 Co1 100.0(3) . . ?
C41 O5 Dy1 118.7(6) . . ?
Co2 O5 Dy1 102.9(3) . . ?
Co1 O5 Dy1 97.5(2) . . ?
C1 O1 Co2 125.2(7) . . ?
C10 O7 Dy2 137.3(8) . . ?
C10 O6 Co2 127.6(8) . . ?
C20 O11 Co1 89.4(7) . . ?
C20 O10 Co1 90.3(7) . . ?
C25 O12 Dy2 145.8(9) . . ?
C25 O14 Dy2 142.6(9) . 2_655 ?
C15 O9 Dy2 139.4(8) . . ?
C15 O8 Co1 125.2(9) . . ?
C7 N1 C8 121.2(9) . . ?
C7 N1 Co2 125.8(8) . . ?
C8 N1 Co2 112.5(7) . . ?
C30 O18 Dy3 95.4(9) . . ?
C40 O21 Dy3 131.1(11) . . ?
C40 O21 H21 110.4(19) . . ?
Dy3 O21 H21 118.5(18) . . ?
Dy2 O13 H13A 117.1 . . ?
Dy2 O13 H13B 117.0 . . ?
H13A O13 H13B 96.3 . . ?
O10 C20 O11 119.1(10) . . ?
O10 C20 C21 120.6(11) . . ?
O11 C20 C21 120.2(11) . . ?
O10 C20 Co1 59.5(6) . . ?
O11 C20 Co1 60.2(6) . . ?
C21 C20 Co1 168.8(9) . . ?
C30 O17 Dy3 93.4(9) . . ?
O1 C1 C2 124.0(11) . . ?
O1 C1 C6 118.2(11) . . ?
C2 C1 C6 117.7(11) . . ?
O3 C9 C8 107.3(9) . . ?
O3 C9 H9A 110.2 . . ?
C8 C9 H9A 110.2 . . ?
O3 C9 H9B 110.3 . . ?
C8 C9 H9B 110.3 . . ?
H9A C9 H9B 108.5 . . ?
O7 C10 O6 125.2(11) . . ?
O7 C10 C11 119.4(12) . . ?
O6 C10 C11 115.4(12) . . ?
O5 C41 H41A 109.5 . . ?
O5 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
O5 C41 H41C 109.4 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O14 C25 O12 123.0(12) . . ?
O14 C25 C26 120.3(13) . . ?
O12 C25 C26 116.7(13) . . ?
C35 O19 Dy3 139.0(13) . . ?
N1 C8 C9 104.9(9) . . ?
N1 C8 H8A 110.8 . . ?
C9 C8 H8A 110.8 . . ?
N1 C8 H8B 110.7 . . ?
C9 C8 H8B 110.8 . . ?
H8A C8 H8B 108.9 . . ?
C5 C6 C1 120.5(14) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C3 C2 C1 119.3(13) . . ?
C3 C2 C7 118.5(12) . . ?
C1 C2 C7 122.2(11) . . ?
C23 C21 C24 111.2(17) . . ?
C23 C21 C22 107.8(15) . . ?
C24 C21 C22 108.4(15) . . ?
C23 C21 C20 110.8(12) . . ?
C24 C21 C20 107.2(12) . . ?
C22 C21 C20 111.5(13) . . ?
O9 C15 O8 124.8(13) . . ?
O9 C15 C16 118.4(13) . . ?
O8 C15 C16 116.7(14) . . ?
N1 C7 C2 125.8(10) . . ?
N1 C7 H7 117.1 . . ?
C2 C7 H7 117.1 . . ?
C27 C26 C29 110(2) . . ?
C27 C26 C28 113(2) . . ?
C29 C26 C28 102(2) . . ?
C27 C26 C25 111.1(15) . . ?
C29 C26 C25 111.0(14) . . ?
C28 C26 C25 110.0(15) . . ?
O18 C30 O17 118.6(15) . . ?
O18 C30 C31 121.6(14) . . ?
O17 C30 C31 119.7(14) . . ?
O18 C30 Dy3 58.8(8) . . ?
O17 C30 Dy3 59.9(8) . . ?
C31 C30 Dy3 179.4(12) . . ?
C14 C11 C12 113(2) . . ?
C14 C11 C13 107.7(19) . . ?
C12 C11 C13 109(2) . . ?
C14 C11 C10 112.2(14) . . ?
C12 C11 C10 109.2(14) . . ?
C13 C11 C10 105.5(13) . . ?
C6 C5 C4 121.6(15) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C4 C3 C2 122.8(14) . . ?
C4 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
C39 C36 C38 111(2) . . ?
C39 C36 C37 113(2) . . ?
C38 C36 C37 106.8(19) . . ?
C39 C36 C35 110.0(15) . . ?
C38 C36 C35 110.0(15) . . ?
C37 C36 C35 106.1(17) . . ?
O19 C35 O20 123.9(19) . . ?
O19 C35 C36 119.8(16) . . ?
O20 C35 C36 116.3(16) . . ?
C33 C31 C34 111.8(19) . . ?
C33 C31 C30 105.6(16) . . ?
C34 C31 C30 108.9(14) . . ?
C33 C31 C32 111(2) . . ?
C34 C31 C32 109.7(18) . . ?
C30 C31 C32 109.5(14) . . ?
C17 C16 C19 113(2) . . ?
C17 C16 C18 104(2) . . ?
C19 C16 C18 107(2) . . ?
C17 C16 C15 111.7(16) . . ?
C19 C16 C15 113.3(16) . . ?
C18 C16 C15 106.1(15) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.4 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.4 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C3 C4 C5 118.2(14) . . ?
C3 C4 H4A 120.9 . . ?
C5 C4 H4A 120.9 . . ?
O21 C40 H40A 109.6 . . ?
O21 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O21 C40 H40C 109.4 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C21 C23 H23A 109.3 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.6 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C31 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.6 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.4 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.6 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C11 C14 H14A 109.6 . . ?
C11 C14 H14B 109.3 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 H12A 109.8 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.3 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C16 C19 H19A 109.7 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.3 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.4 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C26 C28 H28A 109.2 . . ?
C26 C28 H28B 109.4 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.8 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.3 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.6 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.4 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C16 C17 H17A 109.1 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.8 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C11 C13 H13C 109.5 . . ?
C11 C13 H13D 109.4 . . ?
H13C C13 H13D 109.5 . . ?
C11 C13 H13E 109.5 . . ?
H13C C13 H13E 109.5 . . ?
H13D C13 H13E 109.5 . . ?
C26 C29 H29A 109.6 . . ?
C26 C29 H29B 109.4 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.4 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C16 C18 H18A 109.3 . . ?
C16 C18 H18B 109.7 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.4 . . ?
H18B C18 H18C 109.5 . . ?

_refine_diff_density_max         2.918
_refine_diff_density_min         -2.919
_refine_diff_density_rms         0.163

####################################################################### 
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# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_Complex3
_database_code_depnum_ccdc_archive 'CCDC 1967049'
loop_
_audit_author_name
_audit_author_address
'Dipmalya Basak'
;Indian Institute of Technology Kharagpur
India
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-05-21 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT213_Complex3            
;
PROBLEM: Atom C34 has ADP max/min Ratio .....        4.7 prolat
RESPONSE: C34 of t-butyl moiety is disordered. Attempts to split the atom 
lead to NPD errors or highly disordered ellipsoids of the split atoms 
likely due to the low intensity of the electron density peaks near it. 
;
_vrf_PLAT220_Complex3            
;
PROBLEM: NonSolvent Resd 1  C   Ueq(max) / Ueq(min) Range        8.0 Ratio
RESPONSE: This is also due to the disordered C34 of t-butyl moiety.
;
_vrf_PLAT242_Complex3            
;
PROBLEM: Low    MainMol Ueq as Compared to Neighbors of        C17 Check
         Low    MainMol Ueq as Compared to Neighbors of        C32 Check 
RESPONSE: This is likely due to the presence of terminal t-butyl groups.
;
_vrf_PLAT420_Complex3            
;
PROBLEM: D-H Without Acceptor       O6       --H6       .     Please Check
RESPONSE: The H atom on O6 of bridging -OH groups were fixed at calculated 
positions as they could not be identified from electron density map and 
the best efforts were made to fix them.
;
_vrf_PLAT910_Complex3            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note
RESPONSE: Reduction of beam stop mask did not yield significant 
improvement. Most of those missing strong reflections appeared to be very 
strong and were treated as overflows.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H114 Co4 Dy2 N2 O28'
_chemical_formula_sum            'C70 H114 Co4 Dy2 N2 O28 '
_chemical_formula_weight         1992.35

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'
Co Co 0.3494 0.9721 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

_cell_length_a                   17.4581(11)
_cell_length_b                   21.4285(14)
_cell_length_c                   23.3399(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8731.5(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    119343
_cell_measurement_theta_min      2.832
_cell_measurement_theta_max      28.359

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_F_000             4048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    2.504
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.540
_exptl_absorpt_correction_T_max  0.606
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      299(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            119343
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_av_R_equivalents  0.1143
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.832
_diffrn_reflns_theta_max         28.359
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10907
_reflns_number_gt                7321
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINTT'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Diamond
_computing_publication_material  
'SHELXL-2014/7 (Sheldrick, 2014), PLATON (Spek, 2009)'
_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)+(0.0339P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10884
_refine_ls_number_parameters     494
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0631
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_restrained_S_all      0.979
_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
O12 O -0.06539(11) 1.00022(9) 0.53841(8) 0.0295(4) Uani 1 1 d . . . . .
O11 O -0.10604(12) 0.90475(9) 0.56063(9) 0.0342(5) Uani 1 1 d . . . . .
O8 O 0.04123(15) 0.99901(10) 0.64232(9) 0.0460(6) Uani 1 1 d . . . . .
O10 O 0.17556(13) 0.99731(10) 0.56405(11) 0.0453(6) Uani 1 1 d . . . . .
O7 O 0.04834(15) 0.89849(11) 0.66265(10) 0.0488(7) Uani 1 1 d . . . . .
O9 O 0.20293(15) 0.89868(12) 0.58339(12) 0.0563(7) Uani 1 1 d . . . . .
C3 C -0.0544(3) 0.6592(2) 0.6462(2) 0.0950(19) Uani 1 1 d . . . . .
H13 H -0.0340 0.6365 0.6766 0.114 Uiso 1 1 calc R U . . .
C15 C 0.3617(3) 0.7715(2) 0.6832(2) 0.0919(18) Uani 1 1 d . . . . .
H16A H 0.4031 0.7542 0.7050 0.138 Uiso 1 1 calc R U . . .
H16B H 0.3685 0.8158 0.6796 0.138 Uiso 1 1 calc R U . . .
H16C H 0.3609 0.7530 0.6457 0.138 Uiso 1 1 calc R U . . .
C4 C -0.1154(4) 0.6356(2) 0.6161(3) 0.119(3) Uani 1 1 d . . . . .
H14 H -0.1358 0.5971 0.6261 0.143 Uiso 1 1 calc R U . . .
C12 C 0.2860(3) 0.7581(2) 0.71360(19) 0.0665(13) Uani 1 1 d . . . . .
C26 C -0.10871(18) 0.96298(14) 0.56525(13) 0.0310(6) Uani 1 1 d . . . . .
C21 C 0.04450(19) 0.95490(15) 0.67686(14) 0.0357(7) Uani 1 1 d . . . . .
C16 C 0.2204(2) 0.95548(17) 0.58003(15) 0.0405(8) Uani 1 1 d . . . . .
C27 C -0.1689(2) 0.98953(16) 0.60541(16) 0.0432(8) Uani 1 1 d . . . . .
C17 C 0.3020(2) 0.97297(19) 0.59860(19) 0.0537(10) Uani 1 1 d . . . . .
C22 C 0.0457(3) 0.96938(18) 0.74101(15) 0.0527(10) Uani 1 1 d . . . . .
C23 C -0.0013(3) 1.0264(2) 0.75481(18) 0.0851(16) Uani 1 1 d . . . . .
H28A H 0.0011 1.0345 0.7952 0.128 Uiso 1 1 calc R U . . .
H28B H -0.0536 1.0194 0.7438 0.128 Uiso 1 1 calc R U . . .
H28C H 0.0186 1.0616 0.7342 0.128 Uiso 1 1 calc R U . . .
C14 C 0.2774(3) 0.6880(2) 0.7199(2) 0.101(2) Uani 1 1 d . . . . .
H30A H 0.3219 0.6713 0.7386 0.151 Uiso 1 1 calc R U . . .
H30B H 0.2722 0.6693 0.6827 0.151 Uiso 1 1 calc R U . . .
H30C H 0.2328 0.6789 0.7424 0.151 Uiso 1 1 calc R U . . .
C28 C -0.2462(2) 0.9831(3) 0.5757(2) 0.0897(17) Uani 1 1 d . . . . .
H21A H -0.2471 1.0088 0.5421 0.135 Uiso 1 1 calc R U . . .
H21B H -0.2861 0.9960 0.6014 0.135 Uiso 1 1 calc R U . . .
H21C H -0.2541 0.9403 0.5650 0.135 Uiso 1 1 calc R U . . .
C29 C -0.1701(3) 0.9518(2) 0.66026(19) 0.0869(17) Uani 1 1 d . . . . .
H20A H -0.1847 0.9096 0.6518 0.130 Uiso 1 1 calc R U . . .
H20B H -0.2063 0.9698 0.6865 0.130 Uiso 1 1 calc R U . . .
H20C H -0.1200 0.9521 0.6773 0.130 Uiso 1 1 calc R U . . .
C13 C 0.2837(3) 0.7897(3) 0.7717(2) 0.128(3) Uani 1 1 d . . . . .
H31A H 0.2378 0.7777 0.7915 0.192 Uiso 1 1 calc R U . . .
H31B H 0.2843 0.8341 0.7667 0.192 Uiso 1 1 calc R U . . .
H31C H 0.3275 0.7771 0.7937 0.192 Uiso 1 1 calc R U . . .
C18 C 0.3050(3) 0.9641(3) 0.6634(2) 0.127(3) Uani 1 1 d . . . . .
H24A H 0.3568 0.9688 0.6765 0.191 Uiso 1 1 calc R U . . .
H24B H 0.2869 0.9231 0.6729 0.191 Uiso 1 1 calc R U . . .
H24C H 0.2731 0.9947 0.6816 0.191 Uiso 1 1 calc R U . . .
C7 C 0.0571(3) 0.7190(3) 0.7147(2) 0.108(2) Uani 1 1 d . . . . .
H17A H 0.0116 0.7161 0.7376 0.163 Uiso 1 1 calc R U . . .
H17B H 0.0930 0.7466 0.7329 0.163 Uiso 1 1 calc R U . . .
H17C H 0.0796 0.6784 0.7108 0.163 Uiso 1 1 calc R U . . .
C19 C 0.3585(3) 0.9268(3) 0.5730(3) 0.130(3) Uani 1 1 d . . . . .
H25A H 0.3622 0.9336 0.5324 0.194 Uiso 1 1 calc R U . . .
H25B H 0.3409 0.8850 0.5800 0.194 Uiso 1 1 calc R U . . .
H25C H 0.4078 0.9325 0.5903 0.194 Uiso 1 1 calc R U . . .
C25 C 0.1277(3) 0.9791(4) 0.7566(2) 0.149(3) Uani 1 1 d . . . . .
H29A H 0.1511 1.0068 0.7294 0.224 Uiso 1 1 calc R U . . .
H29B H 0.1540 0.9398 0.7563 0.224 Uiso 1 1 calc R U . . .
H29C H 0.1308 0.9971 0.7943 0.224 Uiso 1 1 calc R U . . .
C30 C -0.1528(3) 1.0576(2) 0.6185(3) 0.107(2) Uani 1 1 d . . . . .
H32A H -0.1015 1.0617 0.6329 0.161 Uiso 1 1 calc R U . . .
H32B H -0.1884 1.0723 0.6468 0.161 Uiso 1 1 calc R U . . .
H32C H -0.1581 1.0818 0.5842 0.161 Uiso 1 1 calc R U . . .
C24 C 0.0125(4) 0.9145(2) 0.77510(18) 0.117(2) Uani 1 1 d . . . . .
H35A H 0.0433 0.8780 0.7688 0.175 Uiso 1 1 calc R U . . .
H35B H -0.0390 0.9065 0.7627 0.175 Uiso 1 1 calc R U . . .
H35C H 0.0124 0.9246 0.8152 0.175 Uiso 1 1 calc R U . . .
C20 C 0.3231(3) 1.0386(2) 0.5836(3) 0.133(3) Uani 1 1 d . . . . .
H33A H 0.2898 1.0669 0.6035 0.200 Uiso 1 1 calc R U . . .
H33B H 0.3177 1.0446 0.5431 0.200 Uiso 1 1 calc R U . . .
H33C H 0.3752 1.0463 0.5947 0.200 Uiso 1 1 calc R U . . .
C34 C -0.0468(5) 1.3331(3) 0.5548(4) 0.248(7) Uani 1 1 d . . . . .
H34A H -0.0529 1.3643 0.5840 0.373 Uiso 1 1 calc R U . . .
H34B H -0.0606 1.3504 0.5183 0.373 Uiso 1 1 calc R U . . .
H34C H 0.0056 1.3195 0.5538 0.373 Uiso 1 1 calc R U . . .
Dy1 Dy 0.10802(2) 0.83146(2) 0.60459(2) 0.03423(4) Uani 1 1 d . . . . .
Co1 Co 0.03962(2) 1.14283(2) 0.48733(2) 0.02791(9) Uani 1 1 d . . . . .
Co2 Co 0.05627(2) 0.99811(2) 0.55466(2) 0.02787(9) Uani 1 1 d . . . . .
C33 C -0.1774(3) 1.2969(3) 0.5678(3) 0.137(3) Uani 1 1 d . . . . .
H12A H -0.1872 1.3261 0.5981 0.206 Uiso 1 1 calc R U . . .
H12B H -0.2075 1.2600 0.5738 0.206 Uiso 1 1 calc R U . . .
H12C H -0.1910 1.3153 0.5317 0.206 Uiso 1 1 calc R U . . .
O3 O 0.05654(12) 1.09161(9) 0.55179(9) 0.0304(5) Uani 1 1 d . . . . .
O6 O 0.05107(11) 0.90167(8) 0.53592(8) 0.0269(4) Uani 1 1 d . . . . .
H6 H 0.0848 0.8976 0.5025 0.032 Uiso 1 1 calc R U . . .
O13 O -0.01798(13) 1.19786(9) 0.53549(9) 0.0349(5) Uani 1 1 d . . . . .
O1 O -0.01954(13) 0.80514(9) 0.57691(9) 0.0352(5) Uani 1 1 d . . . . .
O14 O 0.11956(13) 0.77782(11) 0.51854(10) 0.0442(6) Uani 1 1 d . . . . .
N1 N 0.12736(15) 1.18769(12) 0.51044(12) 0.0349(6) Uani 1 1 d . . . . .
C10 C 0.1046(2) 1.12399(15) 0.59138(13) 0.0382(8) Uani 1 1 d . . . . .
H7A H 0.1263 1.0950 0.6189 0.046 Uiso 1 1 calc R U . . .
H7B H 0.0753 1.1552 0.6120 0.046 Uiso 1 1 calc R U . . .
O5 O 0.17708(17) 0.82319(12) 0.69313(11) 0.0581(8) Uani 1 1 d . . . . .
O2 O 0.03806(16) 0.74275(12) 0.65950(12) 0.0583(8) Uani 1 1 d . . . . .
C9 C 0.16737(19) 1.15463(15) 0.55691(15) 0.0420(8) Uani 1 1 d . . . . .
H6A H 0.1962 1.1836 0.5804 0.050 Uiso 1 1 calc R U . . .
H6B H 0.2022 1.1236 0.5415 0.050 Uiso 1 1 calc R U . . .
C31 C -0.0773(2) 1.22888(15) 0.52466(15) 0.0370(7) Uani 1 1 d . . . . .
O4 O 0.21335(16) 0.76084(12) 0.62505(12) 0.0562(7) Uani 1 1 d . . . . .
C1 C -0.0526(2) 0.75090(15) 0.58607(16) 0.0402(8) Uani 1 1 d . . . . .
C8 C 0.1494(2) 1.24010(15) 0.49159(16) 0.0447(9) Uani 1 1 d . . . . .
H5 H 0.1913 1.2587 0.5093 0.054 Uiso 1 1 calc R U . . .
C6 C -0.1143(2) 0.72709(16) 0.55518(17) 0.0487(9) Uani 1 1 d . . . . .
C11 C 0.2219(2) 0.78212(18) 0.67456(17) 0.0479(9) Uani 1 1 d . . . . .
C2 C -0.0235(3) 0.71544(18) 0.63219(18) 0.0576(11) Uani 1 1 d . . . . .
C5 C -0.1465(3) 0.66888(19) 0.5711(2) 0.0822(16) Uani 1 1 d . . . . .
H3 H -0.1885 0.6532 0.5513 0.099 Uiso 1 1 calc R U . . .
C35 C -0.0770(5) 1.2589(4) 0.6273(3) 0.186(5) Uani 1 1 d . . . . .
H11A H -0.0244 1.2460 0.6288 0.280 Uiso 1 1 calc R U . . .
H11B H -0.1095 1.2245 0.6374 0.280 Uiso 1 1 calc R U . . .
H11C H -0.0851 1.2926 0.6537 0.280 Uiso 1 1 calc R U . . .
C32 C -0.0960(2) 1.28043(19) 0.56741(18) 0.0543(11) 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
O12 C26 1.266(3) . ?
O12 Co2 2.158(2) . ?
O12 Co2 2.178(2) 5_576 ?
O11 C26 1.253(3) . ?
O11 Co1 1.907(2) 5_576 ?
O8 C21 1.243(4) . ?
O8 Co2 2.063(2) . ?
O10 C16 1.247(4) . ?
O10 Co2 2.094(2) . ?
O7 C21 1.255(4) . ?
O7 Dy1 2.233(2) . ?
O9 C16 1.257(4) . ?
O9 Dy1 2.251(3) . ?
C3 C2 1.360(5) . ?
C3 C4 1.372(7) . ?
C15 C12 1.528(6) . ?
C4 C5 1.381(7) . ?
C12 C13 1.514(6) . ?
C12 C14 1.519(6) . ?
C12 C11 1.531(5) . ?
C26 C27 1.519(4) . ?
C21 C22 1.529(4) . ?
C16 C17 1.536(5) . ?
C27 C29 1.514(5) . ?
C27 C30 1.516(5) . ?
C27 C28 1.523(5) . ?
C17 C20 1.494(6) . ?
C17 C19 1.520(6) . ?
C17 C18 1.525(6) . ?
C22 C25 1.493(6) . ?
C22 C23 1.507(5) . ?
C22 C24 1.534(6) . ?
C7 O2 1.424(4) . ?
C34 C32 1.447(7) . ?
Dy1 O14 2.323(2) . ?
Dy1 O1 2.386(2) . ?
Dy1 O5 2.399(2) . ?
Dy1 O6 2.4126(19) . ?
Dy1 O4 2.429(2) . ?
Dy1 O2 2.598(3) . ?
Dy1 C11 2.782(4) . ?
Dy1 Co1 3.3986(5) 5_576 ?
Co1 O3 1.886(2) . ?
Co1 N1 1.887(3) . ?
Co1 O1 1.901(2) 5_576 ?
Co1 O11 1.907(2) 5_576 ?
Co1 O13 1.914(2) . ?
Co1 O6 1.9264(19) 5_576 ?
Co1 Dy1 3.3985(5) 5_576 ?
Co2 O3 2.0047(19) . ?
Co2 O6 2.1142(19) . ?
Co2 O12 2.178(2) 5_576 ?
C33 C32 1.465(6) . ?
O3 C10 1.428(3) . ?
O6 Co1 1.9264(19) 5_576 ?
O13 C31 1.257(4) . ?
O1 C1 1.315(4) . ?
O1 Co1 1.901(2) 5_576 ?
O14 C31 1.257(4) 5_576 ?
N1 C8 1.266(4) . ?
N1 C9 1.472(4) . ?
C10 C9 1.510(4) . ?
O5 C11 1.255(4) . ?
O2 C2 1.380(5) . ?
C31 O14 1.257(4) 5_576 ?
C31 C32 1.524(4) . ?
O4 C11 1.251(4) . ?
C1 C6 1.392(5) . ?
C1 C2 1.412(5) . ?
C8 C6 1.436(5) 5_576 ?
C6 C5 1.418(5) . ?
C6 C8 1.436(5) 5_576 ?
C35 C32 1.508(7) . ?

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
C26 O12 Co2 119.20(19) . . ?
C26 O12 Co2 123.21(19) . 5_576 ?
Co2 O12 Co2 95.95(8) . 5_576 ?
C26 O11 Co1 127.3(2) . 5_576 ?
C21 O8 Co2 129.0(2) . . ?
C16 O10 Co2 131.4(2) . . ?
C21 O7 Dy1 143.6(2) . . ?
C16 O9 Dy1 144.3(3) . . ?
C2 C3 C4 120.7(5) . . ?
C3 C4 C5 120.4(4) . . ?
C13 C12 C14 110.6(5) . . ?
C13 C12 C15 110.8(5) . . ?
C14 C12 C15 108.4(4) . . ?
C13 C12 C11 111.3(4) . . ?
C14 C12 C11 108.6(4) . . ?
C15 C12 C11 107.0(4) . . ?
O11 C26 O12 124.3(3) . . ?
O11 C26 C27 116.9(3) . . ?
O12 C26 C27 118.9(3) . . ?
O8 C21 O7 124.3(3) . . ?
O8 C21 C22 118.8(3) . . ?
O7 C21 C22 117.0(3) . . ?
O10 C16 O9 124.3(3) . . ?
O10 C16 C17 119.4(3) . . ?
O9 C16 C17 116.3(3) . . ?
C29 C27 C30 110.2(4) . . ?
C29 C27 C26 109.3(3) . . ?
C30 C27 C26 110.9(3) . . ?
C29 C27 C28 108.9(4) . . ?
C30 C27 C28 110.1(4) . . ?
C26 C27 C28 107.4(3) . . ?
C20 C17 C19 111.2(5) . . ?
C20 C17 C18 110.0(4) . . ?
C19 C17 C18 106.7(4) . . ?
C20 C17 C16 113.1(3) . . ?
C19 C17 C16 109.4(4) . . ?
C18 C17 C16 106.3(4) . . ?
C25 C22 C23 110.9(4) . . ?
C25 C22 C21 106.3(3) . . ?
C23 C22 C21 111.5(3) . . ?
C25 C22 C24 110.1(5) . . ?
C23 C22 C24 107.8(4) . . ?
C21 C22 C24 110.3(3) . . ?
O7 Dy1 O9 93.75(10) . . ?
O7 Dy1 O14 152.08(8) . . ?
O9 Dy1 O14 93.59(10) . . ?
O7 Dy1 O1 83.16(8) . . ?
O9 Dy1 O1 141.15(8) . . ?
O14 Dy1 O1 74.33(8) . . ?
O7 Dy1 O5 76.07(9) . . ?
O9 Dy1 O5 82.34(10) . . ?
O14 Dy1 O5 131.65(8) . . ?
O1 Dy1 O5 133.22(9) . . ?
O7 Dy1 O6 79.03(8) . . ?
O9 Dy1 O6 76.01(8) . . ?
O14 Dy1 O6 76.70(7) . . ?
O1 Dy1 O6 65.35(7) . . ?
O5 Dy1 O6 145.63(8) . . ?
O7 Dy1 O4 129.41(9) . . ?
O9 Dy1 O4 83.37(10) . . ?
O14 Dy1 O4 78.23(8) . . ?
O1 Dy1 O4 127.77(8) . . ?
O5 Dy1 O4 53.43(8) . . ?
O6 Dy1 O4 146.21(8) . . ?
O7 Dy1 O2 87.24(9) . . ?
O9 Dy1 O2 157.37(9) . . ?
O14 Dy1 O2 96.04(9) . . ?
O1 Dy1 O2 61.44(8) . . ?
O5 Dy1 O2 75.96(9) . . ?
O6 Dy1 O2 126.18(8) . . ?
O4 Dy1 O2 78.64(10) . . ?
O7 Dy1 C11 102.82(10) . . ?
O9 Dy1 C11 81.15(10) . . ?
O14 Dy1 C11 104.92(10) . . ?
O1 Dy1 C11 137.41(10) . . ?
O5 Dy1 C11 26.75(9) . . ?
O6 Dy1 C11 157.15(10) . . ?
O4 Dy1 C11 26.70(9) . . ?
O2 Dy1 C11 76.61(10) . . ?
O7 Dy1 Co1 85.70(6) . 5_576 ?
O9 Dy1 Co1 108.41(6) . 5_576 ?
O14 Dy1 Co1 66.43(6) . 5_576 ?
O1 Dy1 Co1 32.82(5) . 5_576 ?
O5 Dy1 Co1 159.54(7) . 5_576 ?
O6 Dy1 Co1 33.59(4) . 5_576 ?
O4 Dy1 Co1 143.06(6) . 5_576 ?
O2 Dy1 Co1 94.21(6) . 5_576 ?
C11 Dy1 Co1 166.98(8) . 5_576 ?
O3 Co1 N1 86.64(10) . . ?
O3 Co1 O1 178.30(10) . 5_576 ?
N1 Co1 O1 94.38(11) . 5_576 ?
O3 Co1 O11 93.55(9) . 5_576 ?
N1 Co1 O11 86.94(11) . 5_576 ?
O1 Co1 O11 87.87(9) 5_576 5_576 ?
O3 Co1 O13 88.41(9) . . ?
N1 Co1 O13 86.84(11) . . ?
O1 Co1 O13 90.29(9) 5_576 . ?
O11 Co1 O13 173.35(9) 5_576 . ?
O3 Co1 O6 93.74(8) . 5_576 ?
N1 Co1 O6 178.96(10) . 5_576 ?
O1 Co1 O6 85.22(9) 5_576 5_576 ?
O11 Co1 O6 94.00(9) 5_576 5_576 ?
O13 Co1 O6 92.21(9) . 5_576 ?
O3 Co1 Dy1 135.79(6) . 5_576 ?
N1 Co1 Dy1 135.52(9) . 5_576 ?
O1 Co1 Dy1 42.88(7) 5_576 5_576 ?
O11 Co1 Dy1 100.21(7) 5_576 5_576 ?
O13 Co1 Dy1 82.67(7) . 5_576 ?
O6 Co1 Dy1 43.87(6) 5_576 5_576 ?
O3 Co2 O8 91.38(9) . . ?
O3 Co2 O10 90.54(9) . . ?
O8 Co2 O10 91.31(10) . . ?
O3 Co2 O6 165.94(8) . . ?
O8 Co2 O6 102.05(8) . . ?
O10 Co2 O6 93.23(8) . . ?
O3 Co2 O12 88.59(8) . . ?
O8 Co2 O12 92.80(9) . . ?
O10 Co2 O12 175.82(9) . . ?
O6 Co2 O12 86.67(8) . . ?
O3 Co2 O12 87.14(8) . 5_576 ?
O8 Co2 O12 176.55(9) . 5_576 ?
O10 Co2 O12 91.82(9) . 5_576 ?
O6 Co2 O12 79.21(8) . 5_576 ?
O12 Co2 O12 84.05(8) . 5_576 ?
C10 O3 Co1 109.00(17) . . ?
C10 O3 Co2 117.73(18) . . ?
Co1 O3 Co2 127.46(11) . . ?
Co1 O6 Co2 125.27(10) 5_576 . ?
Co1 O6 Dy1 102.54(8) 5_576 . ?
Co2 O6 Dy1 117.03(8) . . ?
C31 O13 Co1 129.9(2) . . ?
C1 O1 Co1 124.4(2) . 5_576 ?
C1 O1 Dy1 125.1(2) . . ?
Co1 O1 Dy1 104.30(9) 5_576 . ?
C31 O14 Dy1 134.4(2) 5_576 . ?
C8 N1 C9 122.6(3) . . ?
C8 N1 Co1 126.8(3) . . ?
C9 N1 Co1 110.53(19) . . ?
O3 C10 C9 107.0(2) . . ?
C11 O5 Dy1 93.9(2) . . ?
C2 O2 C7 116.6(3) . . ?
C2 O2 Dy1 116.7(2) . . ?
C7 O2 Dy1 126.7(3) . . ?
N1 C9 C10 104.9(3) . . ?
O13 C31 O14 125.7(3) . 5_576 ?
O13 C31 C32 115.3(3) . . ?
O14 C31 C32 118.9(3) 5_576 . ?
C11 O4 Dy1 92.6(2) . . ?
O1 C1 C6 125.4(3) . . ?
O1 C1 C2 116.2(3) . . ?
C6 C1 C2 118.4(3) . . ?
N1 C8 C6 124.7(3) . 5_576 ?
C1 C6 C5 119.6(4) . . ?
C1 C6 C8 123.0(3) . 5_576 ?
C5 C6 C8 117.4(4) . 5_576 ?
O4 C11 O5 120.0(3) . . ?
O4 C11 C12 121.0(3) . . ?
O5 C11 C12 119.0(3) . . ?
O4 C11 Dy1 60.72(19) . . ?
O5 C11 Dy1 59.35(19) . . ?
C12 C11 Dy1 177.3(3) . . ?
C3 C2 O2 125.0(4) . . ?
C3 C2 C1 121.2(4) . . ?
O2 C2 C1 113.8(3) . . ?
C4 C5 C6 119.8(4) . . ?
C34 C32 C33 112.9(6) . . ?
C34 C32 C35 107.3(6) . . ?
C33 C32 C35 106.3(5) . . ?
C34 C32 C31 107.8(4) . . ?
C33 C32 C31 112.7(4) . . ?
C35 C32 C31 109.8(4) . . ?

_refine_diff_density_max         0.529
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.081

