# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2025

####################################################################### 
# 
# 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_ligand-H3L
_database_code_depnum_ccdc_archive 'CCDC 2422184'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2025-04-01 deposited with the CCDC.	2025-04-02 downloaded from the CCDC.
;
_audit_creation_date             2025-03-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H17 N O4'
_chemical_formula_sum            'C12 H17 N O4'
_chemical_formula_weight         239.26
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
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                   9.5116(3)
_cell_length_b                   5.7815(2)
_cell_length_c                   21.9120(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.532(3)
_cell_angle_gamma                90
_cell_volume                     1194.57(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5052
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      77.0800
_cell_measurement_theta_min      4.0820
_shelx_estimated_absorpt_T_max   0.922
_shelx_estimated_absorpt_T_min   0.852
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7554
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.756
_diffrn_reflns_theta_min         4.070
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -101.00 -23.00   0.50    0.10    --  -38.50 -64.00-123.00  156
  2  ω    -46.00  16.00   0.50    0.10    --  -38.50  64.00  12.00  124
  3  ω     24.00  51.00   0.50    0.10    --   48.81 -64.00-123.00   54
  4  ω     59.00  91.00   0.50    0.10    --   48.81  64.00  12.00   64
  5  ω     59.00 122.00   0.50    0.31    --  106.83 -64.00-123.00  126
  6  ω     93.00 170.00   0.50    0.31    --  106.83  64.00  12.00  154
  7  ω    -11.00  27.00   0.50    0.10    --  -38.50  37.00 150.00   76
  8  ω    -42.00 -14.00   0.50    0.10    --  -38.50  37.00 150.00   56
  9  ω    -17.00  50.00   0.50    0.10    --   48.81 -37.00 120.00  134
 10  ω     29.00  96.00   0.50    0.10    --   48.81-125.00-120.00  134
 11  ω     45.00 108.00   0.50    0.31    --  106.83-125.00-150.00  126
 12  ω    104.00 129.00   0.50    0.31    --  106.83  77.00-180.00   50
 13  ω    142.00 170.00   0.50    0.31    --  106.83  61.00 -60.00   56
 14  ω    113.00 169.00   0.50    0.31    --  106.83  45.00 -30.00  112
 15  ω     45.00  77.00   0.50    0.31    --  106.83-125.00 120.00   64
 16  ω     94.00 147.00   0.50    0.31    --  106.83  61.00 -90.00  106
 17  ω     45.00 120.00   0.50    0.31    --  106.83 -61.00-180.00  150
 18  ω     84.00 109.00   0.50    0.31    --  106.83-125.00 -60.00   50
 19  ω     45.00  83.00   0.50    0.31    --  106.83-125.00-120.00   76
 20  ω     95.00 130.00   0.50    0.31    --  106.83  61.00 -60.00   70
 21  ω     77.00 105.00   0.50    0.31    --  106.83 -94.00-180.00   56
 22  ω     74.00 106.00   0.50    0.31    --  106.83 -94.00-120.00   64
 23  ω    111.00 169.00   0.50    0.31    --  106.83 125.00-120.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2119
_reflns_number_total             2454
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.324
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0547
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0894P)²+0.4777P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1634
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C10(H10A,H10B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C9(H9), C4(H4A), C7(H7)
2.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C6(H6A,H6B,H6C)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3), O4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.50256(13) 0.2561(2) 0.65483(6) 0.0326(3) Uani 1 1 d . . . . .
O2 O 0.40683(13) -0.1093(2) 0.58858(6) 0.0342(3) Uani 1 1 d . . . . .
O3 O 0.87168(13) 0.5475(2) 0.81789(7) 0.0370(4) Uani 1 1 d . . . . .
H3 H 0.833991 0.416163 0.813475 0.056 Uiso 1 1 calc R U . . .
O4 O 0.73892(14) 1.1360(2) 0.80546(6) 0.0366(3) Uani 1 1 d . . . . .
H4 H 0.661840 1.128207 0.820179 0.055 Uiso 1 1 calc R U . . .
N1 N 0.70948(17) 0.5365(3) 0.69282(7) 0.0328(4) Uani 1 1 d . . . . .
H1 H 0.622529 0.489432 0.695542 0.039 Uiso 1 1 calc R U . . .
C1 C 0.58919(18) 0.1507(3) 0.62383(8) 0.0281(4) Uani 1 1 d . . . . .
C11 C 0.77144(18) 0.7182(3) 0.79576(8) 0.0276(4) Uani 1 1 d . . . . .
H11 H 0.676635 0.678863 0.807986 0.033 Uiso 1 1 calc R U . . .
C8 C 0.73305(19) 0.2209(3) 0.62418(8) 0.0297(4) Uani 1 1 d . . . . .
C9 C 0.78499(19) 0.4168(3) 0.65934(8) 0.0313(4) Uani 1 1 d . . . . .
H9 H 0.880558 0.462391 0.658171 0.038 Uiso 1 1 calc R U . . .
C2 C 0.54520(18) -0.0501(3) 0.58713(8) 0.0293(4) Uani 1 1 d . . . . .
C12 C 0.82482(19) 0.9443(3) 0.82588(8) 0.0312(4) Uani 1 1 d . . . . .
H12A H 0.828226 0.929540 0.871066 0.037 Uiso 1 1 calc R U . . .
H12B H 0.922651 0.972746 0.816871 0.037 Uiso 1 1 calc R U . . .
C4 C 0.63857(19) -0.1664(3) 0.55573(8) 0.0318(4) Uani 1 1 d . . . . .
H4A H 0.606189 -0.298353 0.532142 0.038 Uiso 1 1 calc R U . . .
C7 C 0.82632(19) 0.0956(3) 0.59064(8) 0.0324(4) Uani 1 1 d . . . . .
H7 H 0.921492 0.146719 0.591542 0.039 Uiso 1 1 calc R U . . .
C10 C 0.7597(2) 0.7443(3) 0.72631(9) 0.0377(5) Uani 1 1 d . . . . .
H10A H 0.693971 0.873186 0.713329 0.045 Uiso 1 1 calc R U . . .
H10B H 0.853964 0.785939 0.715072 0.045 Uiso 1 1 calc R U . . .
C5 C 0.7824(2) -0.0965(4) 0.55717(8) 0.0337(4) Uani 1 1 d . . . . .
C3 C 0.3574(2) -0.3129(4) 0.55547(9) 0.0352(4) Uani 1 1 d . . . . .
H3A H 0.365944 -0.292440 0.511708 0.053 Uiso 1 1 calc R U . . .
H3B H 0.257796 -0.339876 0.560431 0.053 Uiso 1 1 calc R U . . .
H3C H 0.414496 -0.445854 0.571559 0.053 Uiso 1 1 calc R U . . .
C6 C 0.8776(2) -0.2362(4) 0.52173(10) 0.0429(5) Uani 1 1 d . . . . .
H6A H 0.875925 -0.398483 0.534482 0.064 Uiso 1 1 calc R U . . .
H6B H 0.974779 -0.176764 0.530007 0.064 Uiso 1 1 calc R U . . .
H6C H 0.844318 -0.224264 0.477583 0.064 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C1 1.288(2) . ?
O2 C2 1.364(2) . ?
O2 C3 1.430(2) . ?
O3 H3 0.8400 . ?
O3 C11 1.413(2) . ?
O4 H4 0.8400 . ?
O4 C12 1.415(2) . ?
N1 H1 0.8800 . ?
N1 C9 1.292(3) . ?
N1 C10 1.456(2) . ?
C1 C8 1.427(2) . ?
C1 C2 1.443(3) . ?
C11 H11 1.0000 . ?
C11 C12 1.521(2) . ?
C11 C10 1.519(2) . ?
C8 C9 1.422(3) . ?
C8 C7 1.422(3) . ?
C9 H9 0.9500 . ?
C2 C4 1.369(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C4 H4A 0.9500 . ?
C4 C5 1.423(3) . ?
C7 H7 0.9500 . ?
C7 C5 1.365(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C5 C6 1.504(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?

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
C2 O2 C3 116.67(14) . . ?
C11 O3 H3 109.5 . . ?
C12 O4 H4 109.5 . . ?
C9 N1 H1 118.0 . . ?
C9 N1 C10 123.90(17) . . ?
C10 N1 H1 118.0 . . ?
O1 C1 C8 122.83(16) . . ?
O1 C1 C2 121.06(15) . . ?
C8 C1 C2 116.11(16) . . ?
O3 C11 H11 109.9 . . ?
O3 C11 C12 106.21(13) . . ?
O3 C11 C10 111.78(15) . . ?
C12 C11 H11 109.9 . . ?
C10 C11 H11 109.9 . . ?
C10 C11 C12 109.02(15) . . ?
C9 C8 C1 119.65(17) . . ?
C9 C8 C7 119.35(16) . . ?
C7 C8 C1 121.00(17) . . ?
N1 C9 C8 123.68(17) . . ?
N1 C9 H9 118.2 . . ?
C8 C9 H9 118.2 . . ?
O2 C2 C1 113.51(15) . . ?
O2 C2 C4 125.45(17) . . ?
C4 C2 C1 121.02(16) . . ?
O4 C12 C11 112.96(14) . . ?
O4 C12 H12A 109.0 . . ?
O4 C12 H12B 109.0 . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C2 C4 H4A 118.8 . . ?
C2 C4 C5 122.31(17) . . ?
C5 C4 H4A 118.8 . . ?
C8 C7 H7 119.2 . . ?
C5 C7 C8 121.61(17) . . ?
C5 C7 H7 119.2 . . ?
N1 C10 C11 113.52(15) . . ?
N1 C10 H10A 108.9 . . ?
N1 C10 H10B 108.9 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
C4 C5 C6 118.59(18) . . ?
C7 C5 C4 117.93(17) . . ?
C7 C5 C6 123.47(17) . . ?
O2 C3 H3A 109.5 . . ?
O2 C3 H3B 109.5 . . ?
O2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C8 C9 -0.7(3) . . . . ?
O1 C1 C8 C7 178.19(16) . . . . ?
O1 C1 C2 O2 0.9(2) . . . . ?
O1 C1 C2 C4 -177.94(16) . . . . ?
O2 C2 C4 C5 -178.94(17) . . . . ?
O3 C11 C12 O4 176.70(14) . . . . ?
O3 C11 C10 N1 62.8(2) . . . . ?
C1 C8 C9 N1 1.3(3) . . . . ?
C1 C8 C7 C5 -0.3(3) . . . . ?
C1 C2 C4 C5 -0.3(3) . . . . ?
C8 C1 C2 O2 179.96(14) . . . . ?
C8 C1 C2 C4 1.2(2) . . . . ?
C8 C7 C5 C4 1.2(3) . . . . ?
C8 C7 C5 C6 -179.16(17) . . . . ?
C9 N1 C10 C11 -114.8(2) . . . . ?
C9 C8 C7 C5 178.66(16) . . . . ?
C2 C1 C8 C9 -179.82(15) . . . . ?
C2 C1 C8 C7 -0.9(2) . . . . ?
C2 C4 C5 C7 -0.9(3) . . . . ?
C2 C4 C5 C6 179.41(17) . . . . ?
C12 C11 C10 N1 179.89(15) . . . . ?
C7 C8 C9 N1 -177.62(16) . . . . ?
C10 N1 C9 C8 -176.59(16) . . . . ?
C10 C11 C12 O4 56.1(2) . . . . ?
C3 O2 C2 C1 -177.29(14) . . . . ?
C3 O2 C2 C4 1.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_complex-2
_database_code_depnum_ccdc_archive 'CCDC 2422186'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2025-04-01 deposited with the CCDC.	2025-04-02 downloaded from the CCDC.
;
_audit_creation_date             2025-04-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H50 Co2 Dy2 N2 O22, 6(C2 H3 N)'
_chemical_formula_sum            'C48 H68 Co2 Dy2 N8 O22'
_chemical_formula_weight         1551.96
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.0030(5)
_cell_length_b                   14.0934(4)
_cell_length_c                   15.8785(5)
_cell_angle_alpha                90
_cell_angle_beta                 109.288(4)
_cell_angle_gamma                90
_cell_volume                     2957.73(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15813
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.7040
_cell_measurement_theta_min      1.9720
_shelx_estimated_absorpt_T_max   0.745
_shelx_estimated_absorpt_T_min   0.573
_exptl_absorpt_coefficient_mu    3.130
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.809
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28769
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.809
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.520
_diffrn_reflns_theta_min         1.984
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.809
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00 -20.00   0.50    1.35    --   -4.45 -47.00  80.00   96
  2  ω     28.00  60.00   0.50    1.35    --   -4.45  47.00-130.00   64
  3  ω     -8.00  29.00   0.50    1.35    --   -4.45 -99.00 150.00   74
  4  ω    -28.00  19.00   0.50    1.35    --   -4.45 -77.00 -60.00   94
  5  ω    -15.00  17.00   0.50    1.35    --   -4.45 -99.00  90.00   64
  6  ω    -20.00  19.00   0.50    1.35    --   -4.45 -77.00-180.00   78
  7  ω    -63.00  -7.00   0.50    1.35    --   -4.45 -37.00 -30.00  112
  8  ω    -15.00  10.00   0.50    1.35    --   -4.45 -99.00  30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6191
_reflns_number_total             7310
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.407
_refine_diff_density_min         -1.000
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         7310
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0335P)²+2.3765P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0779
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11A)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C4(H4A), C7(H7)
2.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C16(H16A,H16B,H16C), C14(H14A,H14B,H14C), C18(H18A,H18B,
 H18C), C20(H20A,H20B,H20C), C6(H6A,H6B,H6C), C22(H22A,H22B,H22C), C24(H24A,
 H24B,H24C)
2.e Idealised tetrahedral OH refined as rotating group:
 O4(H4)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.48163(2) 0.28789(2) 0.53458(2) 0.01258(6) Uani 1 1 d . . . . .
Co1 Co 0.49024(3) 0.52163(3) 0.58709(2) 0.01106(9) Uani 1 1 d . . . . .
O11 O 0.57344(17) 0.55482(16) 0.51733(14) 0.0123(4) Uani 1 1 d . . . . .
O2 O 0.56621(16) 0.40983(15) 0.62924(13) 0.0144(4) Uani 1 1 d . . . . .
O3 O 0.42181(16) 0.63669(15) 0.54396(13) 0.0138(4) Uani 1 1 d . . . . .
O8 O 0.33423(17) 0.26332(17) 0.42045(15) 0.0198(5) Uani 1 1 d . . . . .
O4 O 0.44651(18) 0.82230(16) 0.54143(14) 0.0171(5) Uani 1 1 d . . . . .
H4 H 0.466973 0.875308 0.560185 0.026 Uiso 1 1 calc R U . . .
O1 O 0.64910(18) 0.24622(17) 0.65491(14) 0.0197(5) Uani 1 1 d . . . . .
O6 O 0.38256(18) 0.33294(17) 0.62198(15) 0.0205(5) Uani 1 1 d . . . . .
O5 O 0.39537(17) 0.49118(16) 0.64539(14) 0.0168(5) Uani 1 1 d . . . . .
O9 O 0.45261(19) 0.14526(16) 0.58601(15) 0.0218(5) Uani 1 1 d . . . . .
O7 O 0.23748(18) 0.39395(18) 0.39690(16) 0.0262(5) Uani 1 1 d . . . . .
O10 O 0.48528(19) -0.00864(17) 0.59652(15) 0.0249(5) Uani 1 1 d . . . . .
N1 N 0.5596(2) 0.59353(19) 0.68906(16) 0.0138(5) Uani 1 1 d . . . . .
C9 C 0.6395(2) 0.5684(2) 0.75254(19) 0.0152(6) Uani 1 1 d . . . . .
H9 H 0.667290 0.612363 0.797658 0.018 Uiso 1 1 calc R U . . .
C2 C 0.6985(2) 0.3155(2) 0.7159(2) 0.0168(6) Uani 1 1 d . . . . .
C1 C 0.6491(2) 0.4039(2) 0.69977(18) 0.0136(6) Uani 1 1 d . . . . .
C10 C 0.5129(3) 0.6867(2) 0.6924(2) 0.0176(7) Uani 1 1 d . . . . .
H10A H 0.556082 0.737255 0.684241 0.021 Uiso 1 1 calc R U . . .
H10B H 0.503303 0.695411 0.749647 0.021 Uiso 1 1 calc R U . . .
C11 C 0.4113(3) 0.6885(2) 0.6175(2) 0.0163(6) Uani 1 1 d . . . . .
H11A H 0.359535 0.658646 0.637801 0.020 Uiso 1 1 calc R U . . .
C8 C 0.6899(2) 0.4782(2) 0.76014(19) 0.0157(6) Uani 1 1 d . . . . .
C12 C 0.3789(3) 0.7885(2) 0.5856(2) 0.0169(6) Uani 1 1 d . . . . .
H12A H 0.309885 0.788491 0.544715 0.020 Uiso 1 1 calc R U . . .
H12B H 0.382272 0.829070 0.635836 0.020 Uiso 1 1 calc R U . . .
C3 C 0.6900(3) 0.1518(3) 0.6700(2) 0.0249(8) Uani 1 1 d . . . . .
H3A H 0.695685 0.131870 0.729261 0.037 Uiso 1 1 calc R U . . .
H3B H 0.755665 0.151174 0.663299 0.037 Uiso 1 1 calc R U . . .
H3C H 0.645915 0.109219 0.627430 0.037 Uiso 1 1 calc R U . . .
C15 C 0.2498(3) 0.3068(3) 0.3888(2) 0.0212(7) Uani 1 1 d . . . . .
C13 C 0.3683(2) 0.4077(2) 0.65875(19) 0.0165(6) Uani 1 1 d . . . . .
C4 C 0.7862(3) 0.3008(2) 0.7873(2) 0.0209(7) Uani 1 1 d . . . . .
H4A H 0.817691 0.241798 0.795866 0.025 Uiso 1 1 calc R U . . .
C7 C 0.7792(2) 0.4622(3) 0.8329(2) 0.0196(7) Uani 1 1 d . . . . .
H7 H 0.806263 0.511467 0.872533 0.024 Uiso 1 1 calc R U . . .
N4 N 1.0815(3) 0.5670(3) 0.6619(3) 0.0471(10) Uani 1 1 d . . . . .
C17 C 0.4276(3) 0.0597(2) 0.5644(2) 0.0195(7) Uani 1 1 d . . . . .
N2 N 0.1527(3) 0.1876(3) 0.5938(3) 0.0586(12) Uani 1 1 d . . . . .
C16 C 0.1592(3) 0.2479(3) 0.3371(3) 0.0338(9) Uani 1 1 d . . . . .
H16A H 0.146953 0.255393 0.274332 0.051 Uiso 1 1 calc R U . . .
H16B H 0.100876 0.268559 0.351131 0.051 Uiso 1 1 calc R U . . .
H16C H 0.172263 0.182301 0.353084 0.051 Uiso 1 1 calc R U . . .
C14 C 0.3136(3) 0.4028(3) 0.7263(2) 0.0215(7) Uani 1 1 d . . . . .
H14A H 0.290643 0.339074 0.729197 0.032 Uiso 1 1 calc R U . . .
H14B H 0.256508 0.444932 0.708664 0.032 Uiso 1 1 calc R U . . .
H14C H 0.358772 0.421256 0.783840 0.032 Uiso 1 1 calc R U . . .
C5 C 0.8273(2) 0.3752(3) 0.8466(2) 0.0210(7) Uani 1 1 d . . . . .
C23 C 1.0419(3) 0.5545(3) 0.7119(3) 0.0390(10) Uani 1 1 d . . . . .
C18 C 0.3236(3) 0.0429(3) 0.4967(2) 0.0259(8) Uani 1 1 d . . . . .
H18A H 0.275518 0.084461 0.508991 0.039 Uiso 1 1 calc R U . . .
H18B H 0.303872 -0.021852 0.500325 0.039 Uiso 1 1 calc R U . . .
H18C H 0.325424 0.055302 0.437785 0.039 Uiso 1 1 calc R U . . .
C19 C 0.1295(3) 0.2621(3) 0.5690(3) 0.0349(9) Uani 1 1 d . . . . .
C20 C 0.1000(3) 0.3573(3) 0.5358(3) 0.0383(10) Uani 1 1 d . . . . .
H20A H 0.039423 0.354474 0.484892 0.057 Uiso 1 1 calc R U . . .
H20B H 0.153283 0.385630 0.518727 0.057 Uiso 1 1 calc R U . . .
H20C H 0.087948 0.394829 0.581690 0.057 Uiso 1 1 calc R U . . .
C6 C 0.9231(3) 0.3595(3) 0.9248(2) 0.0323(9) Uani 1 1 d . . . . .
H6A H 0.908767 0.319172 0.967831 0.048 Uiso 1 1 calc R U . . .
H6B H 0.948204 0.419429 0.951910 0.048 Uiso 1 1 calc R U . . .
H6C H 0.973181 0.330018 0.904255 0.048 Uiso 1 1 calc R U . . .
N3 N 0.9147(4) 0.2608(5) 0.6364(4) 0.0814(17) Uani 1 1 d . . . . .
C21 C 0.8748(4) 0.3246(4) 0.5965(3) 0.0460(11) Uani 1 1 d . . . . .
C22 C 0.8233(3) 0.4042(3) 0.5436(4) 0.0503(12) Uani 1 1 d . . . . .
H22A H 0.841625 0.408639 0.490605 0.075 Uiso 1 1 calc R U . . .
H22B H 0.842509 0.461531 0.577714 0.075 Uiso 1 1 calc R U . . .
H22C H 0.751493 0.395416 0.527445 0.075 Uiso 1 1 calc R U . . .
C24 C 0.9879(4) 0.5387(4) 0.7745(4) 0.0658(16) Uani 1 1 d . . . . .
H24A H 0.916416 0.538803 0.743056 0.099 Uiso 1 1 calc R U . . .
H24B H 1.004210 0.588329 0.818378 0.099 Uiso 1 1 calc R U . . .
H24C H 1.007443 0.478578 0.803472 0.099 Uiso 1 1 calc R U . . .
H11 H 0.629(4) 0.550(4) 0.545(3) 0.042(14) 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 Co1 3.4055(4) 3_666 ?
Dy1 O11 2.402(2) 3_666 ?
Dy1 O2 2.332(2) . ?
Dy1 O3 2.372(2) 3_666 ?
Dy1 O8 2.279(2) . ?
Dy1 O4 2.384(2) 3_666 ?
Dy1 O1 2.556(2) . ?
Dy1 O6 2.351(2) . ?
Dy1 O9 2.256(2) . ?
Co1 O11 1.931(2) 3_666 ?
Co1 O11 1.912(2) . ?
Co1 O2 1.895(2) . ?
Co1 O3 1.893(2) . ?
Co1 O5 1.902(2) . ?
Co1 N1 1.885(2) . ?
O11 H11 0.76(5) . ?
O2 C1 1.323(4) . ?
O3 C11 1.425(4) . ?
O8 C15 1.278(4) . ?
O4 H4 0.8200 . ?
O4 C12 1.433(4) . ?
O1 C2 1.388(4) . ?
O1 C3 1.437(4) . ?
O6 C13 1.252(4) . ?
O5 C13 1.275(4) . ?
O9 C17 1.271(4) . ?
O7 C15 1.252(4) . ?
O10 C17 1.252(4) . ?
N1 C9 1.284(4) . ?
N1 C10 1.475(4) . ?
C9 H9 0.9300 . ?
C9 C8 1.439(5) . ?
C2 C1 1.406(5) . ?
C2 C4 1.385(5) . ?
C1 C8 1.408(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.524(4) . ?
C11 H11A 0.9800 . ?
C11 C12 1.515(4) . ?
C8 C7 1.412(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C15 C16 1.512(5) . ?
C13 C14 1.512(4) . ?
C4 H4A 0.9300 . ?
C4 C5 1.399(5) . ?
C7 H7 0.9300 . ?
C7 C5 1.381(5) . ?
N4 C23 1.122(6) . ?
C17 C18 1.517(5) . ?
N2 C19 1.130(6) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C5 C6 1.513(4) . ?
C23 C24 1.451(7) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.451(6) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
N3 C21 1.135(7) . ?
C21 C22 1.444(7) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 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
O11 Dy1 Co1 33.06(5) 3_666 3_666 ?
O11 Dy1 O1 125.44(8) 3_666 . ?
O2 Dy1 Co1 69.85(5) . 3_666 ?
O2 Dy1 O11 65.05(7) . 3_666 ?
O2 Dy1 O3 75.66(7) . 3_666 ?
O2 Dy1 O4 126.65(8) . 3_666 ?
O2 Dy1 O1 62.77(7) . . ?
O2 Dy1 O6 72.16(8) . . ?
O3 Dy1 Co1 32.40(5) 3_666 3_666 ?
O3 Dy1 O11 65.17(7) 3_666 3_666 ?
O3 Dy1 O4 67.45(7) 3_666 3_666 ?
O3 Dy1 O1 87.39(7) 3_666 . ?
O8 Dy1 Co1 85.00(6) . 3_666 ?
O8 Dy1 O11 76.32(8) . 3_666 ?
O8 Dy1 O2 139.31(8) . . ?
O8 Dy1 O3 100.01(8) . 3_666 ?
O8 Dy1 O4 85.49(8) . 3_666 ?
O8 Dy1 O1 157.79(9) . . ?
O8 Dy1 O6 87.39(8) . . ?
O4 Dy1 Co1 94.53(5) 3_666 3_666 ?
O4 Dy1 O11 124.67(7) 3_666 3_666 ?
O4 Dy1 O1 78.02(8) 3_666 . ?
O1 Dy1 Co1 110.83(6) . 3_666 ?
O6 Dy1 Co1 108.87(6) . 3_666 ?
O6 Dy1 O11 76.59(8) . 3_666 ?
O6 Dy1 O3 137.68(8) . 3_666 ?
O6 Dy1 O4 154.82(8) . 3_666 ?
O6 Dy1 O1 101.27(8) . . ?
O9 Dy1 Co1 167.41(6) . 3_666 ?
O9 Dy1 O11 150.53(8) . 3_666 ?
O9 Dy1 O2 122.48(8) . . ?
O9 Dy1 O3 142.32(8) . 3_666 ?
O9 Dy1 O8 85.89(9) . . ?
O9 Dy1 O4 76.08(8) . 3_666 ?
O9 Dy1 O1 75.83(8) . . ?
O9 Dy1 O6 79.34(8) . . ?
O11 Co1 O11 80.56(10) . 3_666 ?
O2 Co1 O11 83.43(9) . 3_666 ?
O2 Co1 O11 91.70(10) . . ?
O2 Co1 O5 92.37(10) . . ?
O3 Co1 O11 85.03(9) . . ?
O3 Co1 O11 97.60(9) . 3_666 ?
O3 Co1 O2 176.35(10) . . ?
O3 Co1 O5 91.02(10) . . ?
O5 Co1 O11 95.36(9) . 3_666 ?
O5 Co1 O11 173.87(10) . . ?
N1 Co1 O11 97.27(10) . . ?
N1 Co1 O11 176.74(11) . 3_666 ?
N1 Co1 O2 94.24(10) . . ?
N1 Co1 O3 84.59(10) . . ?
N1 Co1 O5 86.99(10) . . ?
Dy1 O11 H11 116(4) 3_666 . ?
Co1 O11 Dy1 102.44(9) 3_666 3_666 ?
Co1 O11 Dy1 103.69(9) . 3_666 ?
Co1 O11 Co1 99.44(10) . 3_666 ?
Co1 O11 H11 110(4) . . ?
Co1 O11 H11 123(4) 3_666 . ?
Co1 O2 Dy1 106.18(9) . . ?
C1 O2 Dy1 127.99(19) . . ?
C1 O2 Co1 125.8(2) . . ?
Co1 O3 Dy1 105.41(9) . 3_666 ?
C11 O3 Dy1 115.60(19) . 3_666 ?
C11 O3 Co1 108.64(17) . . ?
C15 O8 Dy1 135.8(2) . . ?
Dy1 O4 H4 128.5 3_666 . ?
C12 O4 Dy1 119.25(18) . 3_666 ?
C12 O4 H4 109.5 . . ?
C2 O1 Dy1 118.84(19) . . ?
C2 O1 C3 117.1(3) . . ?
C3 O1 Dy1 123.6(2) . . ?
C13 O6 Dy1 135.9(2) . . ?
C13 O5 Co1 125.6(2) . . ?
C17 O9 Dy1 144.5(2) . . ?
C9 N1 Co1 126.4(2) . . ?
C9 N1 C10 119.9(3) . . ?
C10 N1 Co1 113.6(2) . . ?
N1 C9 H9 117.1 . . ?
N1 C9 C8 125.9(3) . . ?
C8 C9 H9 117.1 . . ?
O1 C2 C1 113.2(3) . . ?
C4 C2 O1 124.7(3) . . ?
C4 C2 C1 122.1(3) . . ?
O2 C1 C2 116.8(3) . . ?
O2 C1 C8 125.1(3) . . ?
C2 C1 C8 118.1(3) . . ?
N1 C10 H10A 110.3 . . ?
N1 C10 H10B 110.3 . . ?
N1 C10 C11 107.3(3) . . ?
H10A C10 H10B 108.5 . . ?
C11 C10 H10A 110.3 . . ?
C11 C10 H10B 110.3 . . ?
O3 C11 C10 107.9(2) . . ?
O3 C11 H11A 109.7 . . ?
O3 C11 C12 107.7(2) . . ?
C10 C11 H11A 109.7 . . ?
C12 C11 C10 112.0(3) . . ?
C12 C11 H11A 109.7 . . ?
C1 C8 C9 121.5(3) . . ?
C1 C8 C7 119.2(3) . . ?
C7 C8 C9 119.1(3) . . ?
O4 C12 C11 107.4(3) . . ?
O4 C12 H12A 110.2 . . ?
O4 C12 H12B 110.2 . . ?
C11 C12 H12A 110.2 . . ?
C11 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
O1 C3 H3A 109.5 . . ?
O1 C3 H3B 109.5 . . ?
O1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O8 C15 C16 116.8(3) . . ?
O7 C15 O8 124.8(3) . . ?
O7 C15 C16 118.3(3) . . ?
O6 C13 O5 126.7(3) . . ?
O6 C13 C14 119.2(3) . . ?
O5 C13 C14 114.1(3) . . ?
C2 C4 H4A 120.2 . . ?
C2 C4 C5 119.7(3) . . ?
C5 C4 H4A 120.2 . . ?
C8 C7 H7 119.2 . . ?
C5 C7 C8 121.7(3) . . ?
C5 C7 H7 119.2 . . ?
O9 C17 C18 117.0(3) . . ?
O10 C17 O9 122.5(3) . . ?
O10 C17 C18 120.5(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C4 C5 C6 119.9(3) . . ?
C7 C5 C4 119.2(3) . . ?
C7 C5 C6 120.9(3) . . ?
N4 C23 C24 178.4(5) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 C20 179.0(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C21 C22 178.5(6) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C1 C2 6.4(4) . . . . ?
Dy1 O2 C1 C8 -172.3(2) . . . . ?
Dy1 O3 C11 C10 -72.1(3) 3_666 . . . ?
Dy1 O3 C11 C12 49.0(3) 3_666 . . . ?
Dy1 O8 C15 O7 24.6(5) . . . . ?
Dy1 O8 C15 C16 -156.1(3) . . . . ?
Dy1 O4 C12 C11 31.1(3) 3_666 . . . ?
Dy1 O1 C2 C1 -2.6(3) . . . . ?
Dy1 O1 C2 C4 176.0(2) . . . . ?
Dy1 O6 C13 O5 13.0(5) . . . . ?
Dy1 O6 C13 C14 -167.3(2) . . . . ?
Dy1 O9 C17 O10 117.5(4) . . . . ?
Dy1 O9 C17 C18 -62.1(5) . . . . ?
Co1 O2 C1 C2 -175.4(2) . . . . ?
Co1 O2 C1 C8 6.0(4) . . . . ?
Co1 O3 C11 C10 46.1(3) . . . . ?
Co1 O3 C11 C12 167.2(2) . . . . ?
Co1 O5 C13 O6 -15.1(5) . . . . ?
Co1 O5 C13 C14 165.1(2) . . . . ?
Co1 N1 C9 C8 -2.6(5) . . . . ?
Co1 N1 C10 C11 9.1(3) . . . . ?
O11 Co1 O2 Dy1 -14.22(9) 3_666 . . . ?
O11 Co1 O2 Dy1 -94.51(10) . . . . ?
O11 Co1 O2 C1 167.2(2) 3_666 . . . ?
O11 Co1 O2 C1 86.9(2) . . . . ?
O11 Co1 O3 Dy1 -86.71(10) 3_666 . . 3_666 ?
O11 Co1 O3 Dy1 -6.95(9) . . . 3_666 ?
O11 Co1 O3 C11 148.81(19) 3_666 . . . ?
O11 Co1 O3 C11 -131.4(2) . . . . ?
O11 Co1 N1 C9 -83.3(3) . . . . ?
O11 Co1 N1 C10 97.2(2) . . . . ?
O2 Co1 N1 C9 8.9(3) . . . . ?
O2 Co1 N1 C10 -170.5(2) . . . . ?
O2 C1 C8 C9 3.8(5) . . . . ?
O2 C1 C8 C7 -180.0(3) . . . . ?
O3 Co1 N1 C9 -167.6(3) . . . . ?
O3 Co1 N1 C10 12.9(2) . . . . ?
O3 C11 C12 O4 -49.9(3) . . . . ?
O1 C2 C1 O2 -1.8(4) . . . . ?
O1 C2 C1 C8 177.0(3) . . . . ?
O1 C2 C4 C5 -177.6(3) . . . . ?
O5 Co1 O2 Dy1 80.90(10) . . . . ?
O5 Co1 O2 C1 -97.7(2) . . . . ?
O5 Co1 O3 Dy1 177.75(9) . . . 3_666 ?
O5 Co1 O3 C11 53.3(2) . . . . ?
O5 Co1 N1 C9 101.1(3) . . . . ?
O5 Co1 N1 C10 -78.4(2) . . . . ?
N1 Co1 O2 Dy1 168.06(10) . . . . ?
N1 Co1 O2 C1 -10.5(2) . . . . ?
N1 Co1 O3 Dy1 90.86(10) . . . 3_666 ?
N1 Co1 O3 C11 -33.6(2) . . . . ?
N1 C9 C8 C1 -5.7(5) . . . . ?
N1 C9 C8 C7 178.1(3) . . . . ?
N1 C10 C11 O3 -35.0(3) . . . . ?
N1 C10 C11 C12 -153.4(3) . . . . ?
C9 N1 C10 C11 -170.4(3) . . . . ?
C9 C8 C7 C5 176.0(3) . . . . ?
C2 C1 C8 C9 -174.9(3) . . . . ?
C2 C1 C8 C7 1.4(4) . . . . ?
C2 C4 C5 C7 0.2(5) . . . . ?
C2 C4 C5 C6 179.9(3) . . . . ?
C1 C2 C4 C5 0.8(5) . . . . ?
C1 C8 C7 C5 -0.3(5) . . . . ?
C10 N1 C9 C8 176.8(3) . . . . ?
C10 C11 C12 O4 68.6(3) . . . . ?
C8 C7 C5 C4 -0.5(5) . . . . ?
C8 C7 C5 C6 179.8(3) . . . . ?
C3 O1 C2 C1 -175.5(3) . . . . ?
C3 O1 C2 C4 3.0(5) . . . . ?
C4 C2 C1 O2 179.6(3) . . . . ?
C4 C2 C1 C8 -1.6(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_complex-3
_database_code_depnum_ccdc_archive 'CCDC 2422187'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2025-04-01 deposited with the CCDC.	2025-04-02 downloaded from the CCDC.
;
_audit_creation_date             2025-04-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H56 Co2 Dy2 N8 O34, 2(O)'
_chemical_formula_sum            'C66 H56 Co2 Dy2 N8 O36'
_chemical_formula_weight         1980.04
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.9723(9)
_cell_length_b                   10.8697(3)
_cell_length_c                   24.8686(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.025(2)
_cell_angle_gamma                90
_cell_volume                     7561.3(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17311
_cell_measurement_temperature    199.99(10)
_cell_measurement_theta_max      30.8480
_cell_measurement_theta_min      1.6450
_shelx_estimated_absorpt_T_max   0.789
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    2.483
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3928
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.772
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            33460
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.772
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.590
_diffrn_reflns_theta_min         2.010
_diffrn_ambient_temperature      200.15
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.772
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -42.00  27.00   0.50    4.51    --    3.20 -77.00-110.00  138
  2  ω    -28.00  21.00   0.50    4.51    --   -4.60  77.00  16.00   98
  3  ω    -15.00  30.00   0.50    4.51    --   -4.60 -99.00-120.00   90
  4  ω    -28.00  16.00   0.50    4.51    --   -4.60  77.00 -90.00   88
  5  ω     -7.00  28.00   0.50    4.51    --   -4.60  37.00  90.00   70
  6  ω    -25.00  21.00   0.50    4.51    --   -4.60  77.00 150.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7824
_reflns_number_total             8981
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.277
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         8981
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0499P)²+17.8764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0893
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H4-O4
 0.85 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O16 \\sim O18 \\sim O17: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
Uanis(O19) \\sim Ueq, Uanis(O20) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O19, O20
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Fixed Sof: O19(0.65) O20(0.35) O17(0.3) O18(0.7)
6.a Ternary CH refined with riding coordinates:
 C11(H11A)
6.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C12(H12A,H12B)
6.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C4(H4A), C19(H19), C29(H29), C15(H15), C33(H33), C31(H31), C30(H30),
 C7(H7), C22(H22), C26(H26), C16(H16), C25(H25), C17(H17), C24(H24)
6.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.42263(2) 0.69057(2) 0.47520(2) 0.01797(6) Uani 1 1 d . . . . .
Co1 Co 0.46268(2) 0.41332(4) 0.51762(2) 0.01603(9) Uani 1 1 d . . . . .
O11 O 0.51760(7) 0.41723(19) 0.47278(8) 0.0174(4) Uani 1 1 d . . . . .
O2 O 0.42353(7) 0.48052(19) 0.46237(8) 0.0206(4) Uani 1 1 d . . . . .
O1 O 0.38662(8) 0.6124(2) 0.38803(9) 0.0255(5) Uani 1 1 d . . . . .
O3 O 0.50342(7) 0.3400(2) 0.56956(8) 0.0192(4) Uani 1 1 d . . . . .
O4 O 0.55805(8) 0.1452(2) 0.58272(9) 0.0262(5) Uani 1 1 d D . . . .
O5 O 0.41310(8) 0.4225(2) 0.57010(8) 0.0225(4) Uani 1 1 d . . . . .
O6 O 0.38186(8) 0.6076(2) 0.54842(9) 0.0274(5) Uani 1 1 d . . . . .
O9 O 0.35188(9) 0.7997(2) 0.47108(10) 0.0291(5) Uani 1 1 d . . . . .
O7 O 0.44236(9) 0.8265(2) 0.54119(9) 0.0281(5) Uani 1 1 d . . . . .
O8 O 0.47502(11) 0.7267(3) 0.61091(10) 0.0398(6) Uani 1 1 d . . . . .
O10 O 0.35923(10) 0.9560(2) 0.41375(12) 0.0434(7) Uani 1 1 d . . . . .
N1 N 0.44404(9) 0.2499(2) 0.50236(11) 0.0220(5) Uani 1 1 d . . . . .
O14 O 0.17663(11) 1.2679(3) 0.45749(15) 0.0587(9) Uani 1 1 d . . . . .
O12 O 0.22095(12) 0.6651(4) 0.71765(13) 0.0594(9) Uani 1 1 d . . . . .
N2 N 0.21360(12) 1.2230(3) 0.43953(15) 0.0406(8) Uani 1 1 d . . . . .
C3 C 0.36629(15) 0.6870(3) 0.34557(15) 0.0345(8) Uani 1 1 d . . . . .
H3A H 0.332094 0.668925 0.342216 0.052 Uiso 1 1 calc R U . . .
H3B H 0.382375 0.668213 0.311543 0.052 Uiso 1 1 calc R U . . .
H3C H 0.370644 0.774209 0.354206 0.052 Uiso 1 1 calc R U . . .
O15 O 0.23530(12) 1.2643(3) 0.40094(14) 0.0533(8) Uani 1 1 d . . . . .
C2 C 0.38262(12) 0.4868(3) 0.38096(13) 0.0249(6) Uani 1 1 d . . . . .
O16 O 0.40011(14) 1.0490(4) 0.80158(14) 0.0683(10) Uani 1 1 d . . . . .
C1 C 0.40375(11) 0.4179(3) 0.42236(12) 0.0205(6) Uani 1 1 d . . . . .
C28 C 0.35030(11) 0.5009(3) 0.62296(12) 0.0231(6) Uani 1 1 d . . . . .
C9 C 0.42028(12) 0.2127(3) 0.46168(14) 0.0247(6) Uani 1 1 d . . . . .
H9 H 0.414892 0.126684 0.458646 0.030 Uiso 1 1 calc R U . . .
C11 C 0.48136(12) 0.2305(3) 0.58968(13) 0.0257(7) Uani 1 1 d . . . . .
H11A H 0.454763 0.252626 0.614734 0.031 Uiso 1 1 calc R U . . .
C8 C 0.40089(12) 0.2901(3) 0.41989(14) 0.0248(7) Uani 1 1 d . . . . .
C27 C 0.38465(11) 0.5124(3) 0.57647(12) 0.0219(6) Uani 1 1 d . . . . .
C10 C 0.46155(13) 0.1589(3) 0.54185(15) 0.0314(8) Uani 1 1 d . . . . .
H10A H 0.486905 0.107280 0.525654 0.038 Uiso 1 1 calc R U . . .
H10B H 0.435092 0.104639 0.553536 0.038 Uiso 1 1 calc R U . . .
C4 C 0.35935(14) 0.4296(3) 0.33893(15) 0.0351(8) Uani 1 1 d . . . . .
H4A H 0.345635 0.477755 0.311035 0.042 Uiso 1 1 calc R U . . .
N4 N 0.42162(15) 0.9806(5) 0.77248(15) 0.0617(12) Uani 1 1 d . . . . .
C21 C 0.41931(12) 0.8847(3) 0.62895(13) 0.0266(7) Uani 1 1 d . . . . .
C19 C 0.27384(12) 1.0602(3) 0.44545(15) 0.0290(7) Uani 1 1 d . . . . .
H19 H 0.289641 1.095660 0.415401 0.035 Uiso 1 1 calc R U . . .
C29 C 0.35109(13) 0.3974(3) 0.65634(13) 0.0298(7) Uani 1 1 d . . . . .
H29 H 0.373967 0.334182 0.650541 0.036 Uiso 1 1 calc R U . . .
C12 C 0.51917(12) 0.1571(3) 0.61965(14) 0.0286(7) Uani 1 1 d . . . . .
H12A H 0.529447 0.201150 0.652539 0.034 Uiso 1 1 calc R U . . .
H12B H 0.506692 0.075252 0.629985 0.034 Uiso 1 1 calc R U . . .
C15 C 0.26803(13) 0.9044(3) 0.51390(16) 0.0346(8) Uani 1 1 d . . . . .
H15 H 0.280265 0.832438 0.530657 0.042 Uiso 1 1 calc R U . . .
C13 C 0.33790(12) 0.8992(3) 0.44971(14) 0.0274(7) Uani 1 1 d . . . . .
C14 C 0.29173(12) 0.9548(3) 0.47003(14) 0.0264(7) Uani 1 1 d . . . . .
C33 C 0.31783(11) 0.5938(3) 0.63177(13) 0.0264(7) Uani 1 1 d . . . . .
H33 H 0.317582 0.665415 0.609846 0.032 Uiso 1 1 calc R U . . .
O13 O 0.25475(15) 0.7736(4) 0.65713(19) 0.0833(14) Uani 1 1 d . . . . .
C31 C 0.28506(13) 0.4784(4) 0.70681(14) 0.0346(8) Uani 1 1 d . . . . .
H31 H 0.262368 0.471463 0.735062 0.041 Uiso 1 1 calc R U . . .
N3 N 0.25108(12) 0.6802(4) 0.68312(15) 0.0426(8) Uani 1 1 d . . . . .
C30 C 0.31829(15) 0.3874(4) 0.69802(15) 0.0377(9) Uani 1 1 d . . . . .
H30 H 0.318830 0.317075 0.720669 0.045 Uiso 1 1 calc R U . . .
C20 C 0.44801(13) 0.8062(3) 0.59123(14) 0.0276(7) Uani 1 1 d . . . . .
C7 C 0.37697(14) 0.2333(3) 0.37668(15) 0.0341(8) Uani 1 1 d . . . . .
H7 H 0.375550 0.146063 0.375083 0.041 Uiso 1 1 calc R U . . .
C22 C 0.43350(13) 0.8957(4) 0.68186(15) 0.0348(8) Uani 1 1 d . . . . .
H22 H 0.461139 0.854054 0.694609 0.042 Uiso 1 1 calc R U . . .
C18 C 0.23265(13) 1.1118(3) 0.46576(16) 0.0327(8) Uani 1 1 d . . . . .
C32 C 0.28552(12) 0.5800(4) 0.67351(14) 0.0309(7) Uani 1 1 d . . . . .
C26 C 0.37829(14) 0.9456(4) 0.61146(15) 0.0363(8) Uani 1 1 d . . . . .
H26 H 0.368491 0.938289 0.575022 0.044 Uiso 1 1 calc R U . . .
C16 C 0.22651(15) 0.9587(4) 0.53340(18) 0.0460(10) Uani 1 1 d . . . . .
H16 H 0.210348 0.923375 0.563233 0.055 Uiso 1 1 calc R U . . .
C25 C 0.35174(16) 1.0165(4) 0.64662(18) 0.0466(10) Uani 1 1 d . . . . .
H25 H 0.323418 1.055963 0.634468 0.056 Uiso 1 1 calc R U . . .
C23 C 0.40659(14) 0.9687(4) 0.71599(15) 0.0393(9) Uani 1 1 d . . . . .
C5 C 0.35575(16) 0.3011(4) 0.33697(17) 0.0400(9) Uani 1 1 d . . . . .
C17 C 0.20870(14) 1.0639(4) 0.50951(18) 0.0429(10) Uani 1 1 d . . . . .
H17 H 0.180618 1.102363 0.522888 0.051 Uiso 1 1 calc R U . . .
C24 C 0.36630(16) 1.0302(4) 0.69941(17) 0.0455(10) Uani 1 1 d . . . . .
H24 H 0.348888 1.080843 0.723596 0.055 Uiso 1 1 calc R U . . .
C6 C 0.3282(2) 0.2405(4) 0.2916(2) 0.0625(15) Uani 1 1 d . . . . .
H6A H 0.295019 0.269135 0.292115 0.094 Uiso 1 1 calc R U . . .
H6B H 0.328946 0.150965 0.296270 0.094 Uiso 1 1 calc R U . . .
H6C H 0.342947 0.262127 0.257131 0.094 Uiso 1 1 calc R U . . .
O19 O 0.4971(3) 0.4973(7) 0.6675(3) 0.088(2) Uani 0.65 1 d . U P . .
O20 O 0.4509(5) 0.3113(16) 0.7274(5) 0.106(5) Uani 0.35 1 d . U P . .
H4 H 0.5810(12) 0.098(4) 0.5855(19) 0.052(14) Uiso 1 1 d D . . . .
H11 H 0.5158(16) 0.390(4) 0.4453(19) 0.039(13) Uiso 1 1 d . . . . .
O17 O 0.4681(6) 0.975(2) 0.7776(6) 0.086(4) Uani 0.3 1 d . U P A 1
O18 O 0.4516(2) 0.9024(7) 0.7914(2) 0.072(2) Uani 0.7 1 d . U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Co1 3.4056(4) 5_666 ?
Dy1 O11 2.417(2) 5_666 ?
Dy1 O2 2.305(2) . ?
Dy1 O1 2.537(2) . ?
Dy1 O3 2.373(2) 5_666 ?
Dy1 O4 2.356(2) 5_666 ?
Dy1 O6 2.330(2) . ?
Dy1 O9 2.310(2) . ?
Dy1 O7 2.276(2) . ?
Co1 O11 1.937(2) 5_666 ?
Co1 O11 1.899(2) . ?
Co1 O2 1.902(2) . ?
Co1 O3 1.898(2) . ?
Co1 O5 1.907(2) . ?
Co1 N1 1.890(3) . ?
O11 H11 0.75(5) . ?
O2 C1 1.326(4) . ?
O1 C3 1.447(4) . ?
O1 C2 1.381(4) . ?
O3 C11 1.431(4) . ?
O4 C12 1.430(4) . ?
O4 H4 0.825(19) . ?
O5 C27 1.269(4) . ?
O6 C27 1.251(4) . ?
O9 C13 1.267(4) . ?
O7 C20 1.274(4) . ?
O8 C20 1.248(4) . ?
O10 C13 1.240(4) . ?
N1 C9 1.276(4) . ?
N1 C10 1.477(4) . ?
O14 N2 1.228(5) . ?
O12 N3 1.215(5) . ?
N2 O15 1.221(5) . ?
N2 C18 1.473(5) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2 C1 1.404(4) . ?
C2 C4 1.379(5) . ?
O16 N4 1.199(5) . ?
C1 C8 1.392(4) . ?
C28 C27 1.509(4) . ?
C28 C29 1.398(5) . ?
C28 C33 1.376(5) . ?
C9 H9 0.9500 . ?
C9 C8 1.443(5) . ?
C11 H11A 1.0000 . ?
C11 C10 1.525(5) . ?
C11 C12 1.519(5) . ?
C8 C7 1.408(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C4 H4A 0.9500 . ?
C4 C5 1.401(5) . ?
N4 C23 1.472(5) . ?
N4 O17 1.308(17) . ?
N4 O18 1.284(8) . ?
C21 C20 1.501(5) . ?
C21 C22 1.379(5) . ?
C21 C26 1.394(5) . ?
C19 H19 0.9500 . ?
C19 C14 1.392(5) . ?
C19 C18 1.378(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C15 H15 0.9500 . ?
C15 C14 1.389(5) . ?
C15 C16 1.390(5) . ?
C13 C14 1.513(5) . ?
C33 H33 0.9500 . ?
C33 C32 1.385(5) . ?
O13 N3 1.208(5) . ?
C31 H31 0.9500 . ?
C31 C30 1.374(6) . ?
C31 C32 1.381(5) . ?
N3 C32 1.473(5) . ?
C30 H30 0.9500 . ?
C7 H7 0.9500 . ?
C7 C5 1.368(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(5) . ?
C18 C17 1.380(6) . ?
C26 H26 0.9500 . ?
C26 C25 1.382(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.382(6) . ?
C25 H25 0.9500 . ?
C25 C24 1.382(6) . ?
C23 C24 1.374(6) . ?
C5 C6 1.516(5) . ?
C17 H17 0.9500 . ?
C24 H24 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?

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
O11 Dy1 Co1 32.83(5) 5_666 5_666 ?
O11 Dy1 O1 124.72(7) 5_666 . ?
O2 Dy1 Co1 70.64(5) . 5_666 ?
O2 Dy1 O11 65.56(7) . 5_666 ?
O2 Dy1 O1 63.54(7) . . ?
O2 Dy1 O3 77.70(7) . 5_666 ?
O2 Dy1 O4 131.52(8) . 5_666 ?
O2 Dy1 O6 74.36(8) . . ?
O2 Dy1 O9 120.79(8) . . ?
O1 Dy1 Co1 107.91(5) . 5_666 ?
O3 Dy1 Co1 32.52(5) 5_666 5_666 ?
O3 Dy1 O11 65.18(7) 5_666 5_666 ?
O3 Dy1 O1 84.16(7) 5_666 . ?
O4 Dy1 Co1 93.84(6) 5_666 5_666 ?
O4 Dy1 O11 122.39(7) 5_666 5_666 ?
O4 Dy1 O1 79.77(8) 5_666 . ?
O4 Dy1 O3 67.60(7) 5_666 5_666 ?
O6 Dy1 Co1 106.98(6) . 5_666 ?
O6 Dy1 O11 74.50(7) . 5_666 ?
O6 Dy1 O1 110.11(8) . . ?
O6 Dy1 O3 137.68(7) . 5_666 ?
O6 Dy1 O4 152.01(8) . 5_666 ?
O9 Dy1 Co1 168.46(6) . 5_666 ?
O9 Dy1 O11 149.93(8) . 5_666 ?
O9 Dy1 O1 78.11(8) . . ?
O9 Dy1 O3 142.96(8) . 5_666 ?
O9 Dy1 O4 77.33(8) . 5_666 ?
O9 Dy1 O6 79.27(8) . . ?
O7 Dy1 Co1 87.11(6) . 5_666 ?
O7 Dy1 O11 76.20(8) . 5_666 ?
O7 Dy1 O2 137.75(8) . . ?
O7 Dy1 O1 158.38(8) . . ?
O7 Dy1 O3 102.59(8) . 5_666 ?
O7 Dy1 O4 83.87(9) . 5_666 ?
O7 Dy1 O6 78.84(9) . . ?
O7 Dy1 O9 84.60(9) . . ?
O11 Co1 O11 79.68(10) . 5_666 ?
O11 Co1 O2 91.88(9) . . ?
O11 Co1 O5 171.55(10) . . ?
O2 Co1 O11 83.55(9) . 5_666 ?
O2 Co1 O5 93.18(9) . . ?
O3 Co1 O11 98.32(9) . 5_666 ?
O3 Co1 O11 85.61(9) . . ?
O3 Co1 O2 176.53(10) . . ?
O3 Co1 O5 89.60(9) . . ?
O5 Co1 O11 94.17(9) . 5_666 ?
N1 Co1 O11 97.25(10) . . ?
N1 Co1 O11 175.48(10) . 5_666 ?
N1 Co1 O2 93.28(10) . . ?
N1 Co1 O3 84.68(10) . . ?
N1 Co1 O5 89.21(11) . . ?
Dy1 O11 H11 110(3) 5_666 . ?
Co1 O11 Dy1 101.43(9) 5_666 5_666 ?
Co1 O11 Dy1 103.56(9) . 5_666 ?
Co1 O11 Co1 100.32(10) . 5_666 ?
Co1 O11 H11 118(3) . . ?
Co1 O11 H11 121(4) 5_666 . ?
Co1 O2 Dy1 106.65(9) . . ?
C1 O2 Dy1 127.42(18) . . ?
C1 O2 Co1 125.8(2) . . ?
C3 O1 Dy1 126.3(2) . . ?
C2 O1 Dy1 118.16(18) . . ?
C2 O1 C3 115.4(3) . . ?
Co1 O3 Dy1 105.24(9) . 5_666 ?
C11 O3 Dy1 115.08(19) . 5_666 ?
C11 O3 Co1 109.18(18) . . ?
Dy1 O4 H4 110(4) 5_666 . ?
C12 O4 Dy1 119.93(19) . 5_666 ?
C12 O4 H4 127(3) . . ?
C27 O5 Co1 125.6(2) . . ?
C27 O6 Dy1 136.5(2) . . ?
C13 O9 Dy1 136.2(2) . . ?
C20 O7 Dy1 128.4(2) . . ?
C9 N1 Co1 126.9(2) . . ?
C9 N1 C10 119.2(3) . . ?
C10 N1 Co1 113.9(2) . . ?
O14 N2 C18 118.0(4) . . ?
O15 N2 O14 124.0(4) . . ?
O15 N2 C18 118.0(3) . . ?
O1 C3 H3A 109.5 . . ?
O1 C3 H3B 109.5 . . ?
O1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O1 C2 C1 113.6(3) . . ?
C4 C2 O1 125.5(3) . . ?
C4 C2 C1 120.9(3) . . ?
O2 C1 C2 116.9(3) . . ?
O2 C1 C8 124.7(3) . . ?
C8 C1 C2 118.4(3) . . ?
C29 C28 C27 120.8(3) . . ?
C33 C28 C27 118.8(3) . . ?
C33 C28 C29 120.4(3) . . ?
N1 C9 H9 117.2 . . ?
N1 C9 C8 125.6(3) . . ?
C8 C9 H9 117.2 . . ?
O3 C11 H11A 109.8 . . ?
O3 C11 C10 107.9(2) . . ?
O3 C11 C12 107.9(3) . . ?
C10 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
C12 C11 C10 111.6(3) . . ?
C1 C8 C9 121.9(3) . . ?
C1 C8 C7 119.9(3) . . ?
C7 C8 C9 118.2(3) . . ?
O5 C27 C28 115.6(3) . . ?
O6 C27 O5 127.3(3) . . ?
O6 C27 C28 117.1(3) . . ?
N1 C10 C11 107.3(3) . . ?
N1 C10 H10A 110.3 . . ?
N1 C10 H10B 110.3 . . ?
C11 C10 H10A 110.3 . . ?
C11 C10 H10B 110.3 . . ?
H10A C10 H10B 108.5 . . ?
C2 C4 H4A 119.7 . . ?
C2 C4 C5 120.6(3) . . ?
C5 C4 H4A 119.7 . . ?
O16 N4 C23 119.2(4) . . ?
O16 N4 O17 118.0(8) . . ?
O16 N4 O18 121.1(5) . . ?
O17 N4 C23 111.9(7) . . ?
O18 N4 C23 118.6(4) . . ?
C22 C21 C20 119.4(3) . . ?
C22 C21 C26 119.5(3) . . ?
C26 C21 C20 121.0(3) . . ?
C14 C19 H19 120.8 . . ?
C18 C19 H19 120.8 . . ?
C18 C19 C14 118.4(3) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 C28 119.7(3) . . ?
C30 C29 H29 120.2 . . ?
O4 C12 C11 105.2(3) . . ?
O4 C12 H12A 110.7 . . ?
O4 C12 H12B 110.7 . . ?
C11 C12 H12A 110.7 . . ?
C11 C12 H12B 110.7 . . ?
H12A C12 H12B 108.8 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(4) . . ?
C16 C15 H15 119.8 . . ?
O9 C13 C14 117.6(3) . . ?
O10 C13 O9 125.4(3) . . ?
O10 C13 C14 117.0(3) . . ?
C19 C14 C13 119.2(3) . . ?
C15 C14 C19 119.9(3) . . ?
C15 C14 C13 120.8(3) . . ?
C28 C33 H33 121.0 . . ?
C28 C33 C32 118.1(3) . . ?
C32 C33 H33 121.0 . . ?
C30 C31 H31 120.9 . . ?
C30 C31 C32 118.3(3) . . ?
C32 C31 H31 120.9 . . ?
O12 N3 C32 118.0(4) . . ?
O13 N3 O12 123.4(4) . . ?
O13 N3 C32 118.6(3) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 C29 120.7(3) . . ?
C31 C30 H30 119.7 . . ?
O7 C20 C21 116.5(3) . . ?
O8 C20 O7 125.3(3) . . ?
O8 C20 C21 118.2(3) . . ?
C8 C7 H7 119.3 . . ?
C5 C7 C8 121.4(3) . . ?
C5 C7 H7 119.3 . . ?
C21 C22 H22 120.7 . . ?
C21 C22 C23 118.6(3) . . ?
C23 C22 H22 120.7 . . ?
C19 C18 N2 118.3(4) . . ?
C19 C18 C17 122.8(3) . . ?
C17 C18 N2 118.9(3) . . ?
C33 C32 N3 117.9(3) . . ?
C31 C32 C33 122.9(3) . . ?
C31 C32 N3 119.2(3) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 C21 120.7(4) . . ?
C25 C26 H26 119.7 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(4) . . ?
C17 C16 H16 119.9 . . ?
C26 C25 H25 119.9 . . ?
C26 C25 C24 120.2(4) . . ?
C24 C25 H25 119.9 . . ?
C22 C23 N4 118.7(4) . . ?
C24 C23 N4 118.5(4) . . ?
C24 C23 C22 122.8(4) . . ?
C4 C5 C6 119.7(4) . . ?
C7 C5 C4 118.7(3) . . ?
C7 C5 C6 121.5(4) . . ?
C18 C17 C16 118.4(4) . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
C25 C24 H24 120.8 . . ?
C23 C24 C25 118.3(4) . . ?
C23 C24 H24 120.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C1 C2 4.8(4) . . . . ?
Dy1 O2 C1 C8 -172.4(2) . . . . ?
Dy1 O1 C2 C1 -5.7(4) . . . . ?
Dy1 O1 C2 C4 172.5(3) . . . . ?
Dy1 O3 C11 C10 -73.0(3) 5_666 . . . ?
Dy1 O3 C11 C12 47.7(3) 5_666 . . . ?
Dy1 O4 C12 C11 37.0(3) 5_666 . . . ?
Dy1 O6 C27 O5 -3.2(5) . . . . ?
Dy1 O6 C27 C28 177.4(2) . . . . ?
Dy1 O9 C13 O10 16.0(6) . . . . ?
Dy1 O9 C13 C14 -163.1(2) . . . . ?
Dy1 O7 C20 O8 53.5(5) . . . . ?
Dy1 O7 C20 C21 -126.1(3) . . . . ?
Co1 O2 C1 C2 -169.9(2) . . . . ?
Co1 O2 C1 C8 12.8(4) . . . . ?
Co1 O3 C11 C10 45.0(3) . . . . ?
Co1 O3 C11 C12 165.7(2) . . . . ?
Co1 O5 C27 O6 4.1(5) . . . . ?
Co1 O5 C27 C28 -176.5(2) . . . . ?
Co1 N1 C9 C8 -2.9(5) . . . . ?
Co1 N1 C10 C11 11.3(3) . . . . ?
O11 Co1 O11 Dy1 104.54(12) 5_666 . . 5_666 ?
O11 Co1 O11 Co1 -0.001(0) 5_666 . . 5_666 ?
O11 Co1 O3 Dy1 -84.27(10) 5_666 . . 5_666 ?
O11 Co1 O3 Dy1 -5.38(9) . . . 5_666 ?
O11 Co1 O3 C11 -129.4(2) . . . . ?
O11 Co1 O3 C11 151.7(2) 5_666 . . . ?
O11 Co1 N1 C9 -81.8(3) . . . . ?
O11 Co1 N1 C10 95.5(2) . . . . ?
O2 Co1 O11 Dy1 -172.36(9) . . . 5_666 ?
O2 Co1 O11 Co1 83.10(10) . . . 5_666 ?
O2 Co1 N1 C9 10.5(3) . . . . ?
O2 Co1 N1 C10 -172.2(2) . . . . ?
O2 C1 C8 C9 -0.7(5) . . . . ?
O2 C1 C8 C7 176.9(3) . . . . ?
O1 C2 C1 O2 1.2(4) . . . . ?
O1 C2 C1 C8 178.6(3) . . . . ?
O1 C2 C4 C5 -177.3(4) . . . . ?
O3 Co1 O11 Dy1 5.25(9) . . . 5_666 ?
O3 Co1 O11 Co1 -99.30(10) . . . 5_666 ?
O3 Co1 N1 C9 -166.7(3) . . . . ?
O3 Co1 N1 C10 10.6(2) . . . . ?
O3 C11 C10 N1 -35.7(4) . . . . ?
O3 C11 C12 O4 -52.6(3) . . . . ?
O5 Co1 O3 Dy1 -178.42(10) . . . 5_666 ?
O5 Co1 O3 C11 57.5(2) . . . . ?
O5 Co1 N1 C9 103.7(3) . . . . ?
O5 Co1 N1 C10 -79.1(2) . . . . ?
O9 C13 C14 C19 -176.3(3) . . . . ?
O9 C13 C14 C15 5.9(5) . . . . ?
O10 C13 C14 C19 4.4(5) . . . . ?
O10 C13 C14 C15 -173.4(3) . . . . ?
N1 Co1 O11 Dy1 -78.82(11) . . . 5_666 ?
N1 Co1 O11 Co1 176.64(10) . . . 5_666 ?
N1 Co1 O3 Dy1 92.34(11) . . . 5_666 ?
N1 Co1 O3 C11 -31.7(2) . . . . ?
N1 C9 C8 C1 -4.6(6) . . . . ?
N1 C9 C8 C7 177.7(4) . . . . ?
O14 N2 C18 C19 179.3(3) . . . . ?
O14 N2 C18 C17 -0.8(5) . . . . ?
O12 N3 C32 C33 175.8(4) . . . . ?
O12 N3 C32 C31 -5.6(6) . . . . ?
N2 C18 C17 C16 179.2(4) . . . . ?
C3 O1 C2 C1 178.6(3) . . . . ?
C3 O1 C2 C4 -3.2(5) . . . . ?
O15 N2 C18 C19 0.0(5) . . . . ?
O15 N2 C18 C17 179.9(4) . . . . ?
C2 C1 C8 C9 -177.9(3) . . . . ?
C2 C1 C8 C7 -0.3(5) . . . . ?
C2 C4 C5 C7 -1.9(7) . . . . ?
C2 C4 C5 C6 177.5(4) . . . . ?
O16 N4 C23 C22 175.9(5) . . . . ?
O16 N4 C23 C24 -4.3(7) . . . . ?
C1 C2 C4 C5 0.8(6) . . . . ?
C1 C8 C7 C5 -0.8(6) . . . . ?
C28 C29 C30 C31 0.0(6) . . . . ?
C28 C33 C32 C31 0.9(5) . . . . ?
C28 C33 C32 N3 179.5(3) . . . . ?
C9 N1 C10 C11 -171.2(3) . . . . ?
C9 C8 C7 C5 176.9(4) . . . . ?
C8 C7 C5 C4 1.9(7) . . . . ?
C8 C7 C5 C6 -177.5(5) . . . . ?
C27 C28 C29 C30 -178.3(3) . . . . ?
C27 C28 C33 C32 177.9(3) . . . . ?
C10 N1 C9 C8 180.0(3) . . . . ?
C10 C11 C12 O4 65.9(3) . . . . ?
C4 C2 C1 O2 -177.1(3) . . . . ?
C4 C2 C1 C8 0.3(5) . . . . ?
N4 C23 C24 C25 -178.6(4) . . . . ?
C21 C22 C23 N4 -180.0(4) . . . . ?
C21 C22 C23 C24 0.2(7) . . . . ?
C21 C26 C25 C24 1.5(7) . . . . ?
C19 C18 C17 C16 -0.9(6) . . . . ?
C29 C28 C27 O5 0.6(4) . . . . ?
C29 C28 C27 O6 -179.9(3) . . . . ?
C29 C28 C33 C32 -1.6(5) . . . . ?
C12 C11 C10 N1 -154.1(3) . . . . ?
C15 C16 C17 C18 0.9(7) . . . . ?
C14 C19 C18 N2 -179.7(3) . . . . ?
C14 C19 C18 C17 0.4(5) . . . . ?
C14 C15 C16 C17 -0.5(6) . . . . ?
C33 C28 C27 O5 -178.9(3) . . . . ?
C33 C28 C27 O6 0.6(4) . . . . ?
C33 C28 C29 C30 1.2(5) . . . . ?
O13 N3 C32 C33 -5.6(6) . . . . ?
O13 N3 C32 C31 173.0(5) . . . . ?
C30 C31 C32 C33 0.2(6) . . . . ?
C30 C31 C32 N3 -178.4(4) . . . . ?
C20 C21 C22 C23 179.9(4) . . . . ?
C20 C21 C26 C25 179.2(4) . . . . ?
C22 C21 C20 O7 -160.2(3) . . . . ?
C22 C21 C20 O8 20.2(5) . . . . ?
C22 C21 C26 C25 -0.1(6) . . . . ?
C22 C23 C24 C25 1.2(7) . . . . ?
C18 C19 C14 C15 0.0(5) . . . . ?
C18 C19 C14 C13 -177.7(3) . . . . ?
C32 C31 C30 C29 -0.6(6) . . . . ?
C26 C21 C20 O7 20.5(5) . . . . ?
C26 C21 C20 O8 -159.2(4) . . . . ?
C26 C21 C22 C23 -0.8(6) . . . . ?
C26 C25 C24 C23 -2.0(7) . . . . ?
C16 C15 C14 C19 0.0(6) . . . . ?
C16 C15 C14 C13 177.8(4) . . . . ?
O17 N4 C23 C22 32.4(12) . . . . ?
O17 N4 C23 C24 -147.8(11) . . . . ?
O18 N4 C23 C22 -16.2(8) . . . . ?
O18 N4 C23 C24 163.6(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_complex-1
_database_code_depnum_ccdc_archive 'CCDC 2422185'
loop_
_audit_author_name
_audit_author_address
'Anangamohan Panja'
;Gokhale Memorial Girls College
India
;
_audit_update_record             
;
2025-04-01 deposited with the CCDC.	2025-04-02 downloaded from the CCDC.
;
_audit_creation_date             2025-04-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C48 H60 Co2 Dy N4 O16, 2(H2 O), 4(C H4 O), N O3, C2 H3 N'
_chemical_formula_sum            'C54 H83 Co2 Dy N6 O25'
_chemical_formula_weight         1496.62
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9113(3)
_cell_length_b                   13.2394(3)
_cell_length_c                   19.7653(4)
_cell_angle_alpha                102.619(2)
_cell_angle_beta                 101.993(2)
_cell_angle_gamma                97.689(2)
_cell_volume                     3167.72(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    29843
_cell_measurement_temperature    100.04(10)
_cell_measurement_theta_max      30.6490
_cell_measurement_theta_min      1.6710
_shelx_estimated_absorpt_T_max   0.843
_shelx_estimated_absorpt_T_min   0.719
_exptl_absorpt_coefficient_mu    1.769
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light red'
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1538
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.787
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            62909
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.787
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.682
_diffrn_reflns_theta_min         1.695
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.787
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00   8.00   0.50    2.98    --    3.20 -23.00 157.00   92
  2  ω     31.00  69.00   0.50    2.98    --    3.20  23.00 -37.00   76
  3  ω      3.00  28.00   0.50    2.98    --   -4.45  23.00 -37.00   50
  4  ω    -71.00 -33.00   0.50    2.98    --   -4.45 -23.00 157.00   76
  5  ω    -64.00   2.00   0.50    2.98    --    3.20 -19.00 120.00  132
  6  ω    -42.00   7.00   0.50    2.98    --   -4.45 -77.00-150.00   98
  7  ω    -26.00  17.00   0.50    2.98    --   -4.45 -77.00 -90.00   86
  8  ω     -7.00  56.00   0.50    2.98    --   -4.45  37.00  60.00  126
  9  ω    -15.00  11.00   0.50    2.98    --   -4.45 -99.00 -30.00   52
 10  ω    -11.00  24.00   0.50    2.98    --   -4.45 -99.00  90.00   70
 11  ω    -28.00   5.00   0.50    2.98    --   -4.45  77.00   0.00   66
 12  ω    -70.00 -40.00   0.50    2.98    --   -4.45 -37.00-150.00   60
 13  ω    -39.00 -12.00   0.50    2.98    --   -4.45 -37.00-150.00   54
 14  ω     -2.00  28.00   0.50    2.98    --   -4.45 -99.00   0.00   60
 15  ω      5.00  62.00   0.50    2.98    --   -4.45  37.00 -60.00  114
 16  ω    -15.00  26.00   0.50    2.98    --   -4.45 -99.00  60.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11407
_reflns_number_total             15455
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.746
_refine_diff_density_min         -1.312
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     876
_refine_ls_number_reflns         15455
_refine_ls_number_restraints     137
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0474
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0540P)²+6.6910P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1264
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O8-H8
 0.87 with sigma of 0.01
 O21-H21A = O21-H21B
 0.87 with sigma of 0.02
 O22-H22A = O22-H22B
 0.87 with sigma of 0.02
 H16-H19
 2.4 with sigma of 0.02
 O19-H19
 0.9 with sigma of 0.02
 C25-H8
 1.923712 with sigma of 0.02
 Dy1-H8
 3.082931 with sigma of 0.02
 H21A-H21B
 1.38 with sigma of 0.04
 H22A-H22B
 1.38 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C56 \\sim C55 \\sim N6: within 1.7A with sigma of 0.004 and sigma for terminal
atoms of 0.008 within 1.7A
Uanis(O26) \\sim Ueq, Uanis(N5) \\sim Ueq, Uanis(O23) \\sim Ueq, Uanis(O24)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C41) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O13A)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O5A) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O26, N5, O23, O24
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 O13A, C41, C40, O13
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 O5A, O5, C15, C16
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Sof(O13)=Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=1-FVAR(1)
 Sof(O13A)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=FVAR(1)
 Fixed Sof: O5(0.5) O24(0.7) C16(0.5) H16A(0.5) H16B(0.5) H16C(0.5) O25(0.3)
 O5A(0.5) C15(0.5) H15A(0.5) H15B(0.5) H15C(0.5)
6.a Ternary CH refined with riding coordinates:
 C36(H36), C11(H11), C24(H24), C49(H49)
6.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C23(H23A,H23B), C37(H37A,H37B), C48(H48A,H48B), C50(H50A,
 H50B), C25(H25A,H25B), C12(H12A,H12B), C35(H35A,H35B)
6.c Aromatic/amide H refined with riding coordinates:
 C47(H47), C9(H9), C22(H22), C7(H7), C29(H29), C4(H4A), C45(H45), C20(H20),
 C34(H34), C17(H17), C32(H32), C42(H42)
6.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C6(H6A,H6B,H6C), C31(H31A,H31B,H31C), C52(H52A,H52B,
 H52C), C44(H44A,H44B,H44C), C53(H53A,H53B,H53C), C51(H51A,H51B,H51C), C54(H54A,
 H54B,H54C), C3(H3A,H3B,H3C), C28(H28A,H28B,H28C), C16(H16A,H16B,H16C),
 C56(H56A,H56B,H56C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C15(H15A,H15B,
 H15C)
6.e Idealised tetrahedral OH refined as rotating group:
 O12(H12), O4(H4), O16(H16), O18(H18), O19(H19), O20(H20A), O17(H17A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.36374(2) 0.62396(2) 0.74209(2) 0.02579(7) Uani 1 1 d D . . . .
Co1 Co 0.27735(4) 0.53097(4) 0.56123(3) 0.02451(12) Uani 1 1 d . . . . .
Co2 Co 0.45916(5) 0.71149(4) 0.92155(3) 0.03021(13) Uani 1 1 d . . . . .
O7 O 0.3443(2) 0.4829(2) 0.64124(14) 0.0275(6) Uani 1 1 d . . . . .
O3 O 0.2824(2) 0.6562(2) 0.63208(14) 0.0276(6) Uani 1 1 d . . . . .
O6 O 0.2167(2) 0.5839(3) 0.48255(15) 0.0335(7) Uani 1 1 d . . . . .
O10 O 0.4031(3) 0.7023(2) 1.00178(15) 0.0406(8) Uani 1 1 d . . . . .
O8 O 0.5076(2) 0.5239(2) 0.75512(15) 0.0294(6) Uani 1 1 d D . . . .
H8 H 0.5772(8) 0.5519(18) 0.7703(18) 0.044 Uiso 1 1 d D U . . .
O12 O 0.2377(2) 0.4746(2) 0.74590(15) 0.0313(6) Uani 1 1 d . . . . .
H12 H 0.240236 0.412974 0.724713 0.047 Uiso 1 1 calc R U . . .
O11 O 0.3279(2) 0.6367(2) 0.85473(15) 0.0306(6) Uani 1 1 d . . . . .
O4 O 0.2319(2) 0.7311(2) 0.75234(16) 0.0337(7) Uani 1 1 d . . . . .
H4 H 0.200512 0.746117 0.785390 0.051 Uiso 1 1 calc R U . . .
O15 O 0.5089(2) 0.7178(2) 0.83744(15) 0.0319(6) Uani 1 1 d . . . . .
O2 O 0.2712(2) 0.3992(2) 0.49473(15) 0.0318(6) Uani 1 1 d . . . . .
O1 O 0.3056(3) 0.2231(3) 0.42082(18) 0.0448(8) Uani 1 1 d . . . . .
O16 O 0.4704(2) 0.7657(2) 0.71583(16) 0.0343(7) Uani 1 1 d . . . . .
H16 H 0.468937 0.778741 0.675966 0.052 Uiso 1 1 calc DR U . . .
N1 N 0.1360(3) 0.4953(3) 0.57211(17) 0.0290(8) Uani 1 1 d . . . . .
O14 O 0.5939(3) 0.7840(2) 0.98306(17) 0.0459(9) Uani 1 1 d . . . . .
N2 N 0.4221(3) 0.5767(3) 0.55821(17) 0.0266(7) Uani 1 1 d . . . . .
N4 N 0.4904(3) 0.5747(3) 0.91978(17) 0.0287(7) Uani 1 1 d . . . . .
O5 O 0.1101(13) 0.6152(10) 0.3672(8) 0.032(2) Uani 0.5 1 d . U P A 1
O22 O 0.8064(3) 0.5957(3) 0.6536(2) 0.0547(10) Uani 1 1 d D . . . .
H22A H 0.853(5) 0.556(5) 0.667(3) 0.082 Uiso 1 1 d D U . . .
H22B H 0.790(5) 0.586(5) 0.6083(12) 0.082 Uiso 1 1 d D U . . .
O9 O 0.3300(3) 0.6578(3) 1.10728(18) 0.0496(9) Uani 1 1 d . . . . .
N3 N 0.4270(3) 0.8463(3) 0.91830(19) 0.0363(9) Uani 1 1 d . . . . .
O21 O -0.0684(4) 0.8075(4) 0.7481(2) 0.0619(11) Uani 1 1 d D . . . .
H21A H -0.051(6) 0.869(3) 0.741(4) 0.093 Uiso 1 1 d D U . . .
H21B H -0.109(5) 0.769(4) 0.707(2) 0.093 Uiso 1 1 d D U . . .
O13 O 0.754(2) 0.9127(17) 1.0645(14) 0.053(5) Uani 0.44(6) 1 d . U P B 2
C2 C 0.2096(4) 0.2182(4) 0.4404(2) 0.0353(10) Uani 1 1 d . . . . .
O18 O 0.7096(3) 0.6125(4) 0.7681(2) 0.0595(11) Uani 1 1 d . . . . .
H18 H 0.741385 0.606719 0.734842 0.089 Uiso 1 1 calc R U . . .
O19 O 0.4125(4) 0.8998(4) 0.6396(3) 0.0815(15) Uani 1 1 d D . . . .
H19 H 0.406756 0.940826 0.677073 0.122 Uiso 1 1 calc DR U . . .
O20 O 0.0844(4) 0.7272(5) 0.8257(2) 0.0807(16) Uani 1 1 d . . . . .
H20A H 0.041006 0.766207 0.814474 0.121 Uiso 1 1 calc R U . . .
C26 C 0.3539(4) 0.7716(3) 1.0333(2) 0.0363(10) Uani 1 1 d . . . . .
C21 C 0.3844(3) 0.6816(3) 0.4737(2) 0.0290(9) Uani 1 1 d . . . . .
C33 C 0.3389(4) 0.8682(3) 1.0159(2) 0.0367(10) Uani 1 1 d . . . . .
C47 C 0.5822(4) 0.5537(3) 0.9461(2) 0.0307(9) Uani 1 1 d . . . . .
H47 H 0.586969 0.481649 0.941317 0.037 Uiso 1 1 calc R U . . .
C9 C 0.0711(3) 0.4058(4) 0.5448(2) 0.0318(9) Uani 1 1 d . . . . .
H9 H 0.000768 0.400444 0.552758 0.038 Uiso 1 1 calc R U . . .
C36 C 0.5470(4) 0.8253(3) 0.8410(2) 0.0380(11) Uani 1 1 d . . . . .
H36 H 0.617196 0.851655 0.877638 0.046 Uiso 1 1 calc R U . . .
C11 C 0.1779(3) 0.6818(4) 0.6253(2) 0.0315(9) Uani 1 1 d . . . . .
H11 H 0.158488 0.709290 0.581978 0.038 Uiso 1 1 calc R U . . .
C13 C 0.2719(3) 0.6454(3) 0.4536(2) 0.0283(8) Uani 1 1 d . . . . .
C10 C 0.0998(3) 0.5810(4) 0.6169(2) 0.0327(9) Uani 1 1 d . . . . .
H10A H 0.099930 0.567361 0.664190 0.039 Uiso 1 1 calc R U . . .
H10B H 0.025788 0.586486 0.593746 0.039 Uiso 1 1 calc R U . . .
C24 C 0.4415(3) 0.4519(3) 0.6291(2) 0.0284(8) Uani 1 1 d . . . . .
H24 H 0.424712 0.385752 0.589770 0.034 Uiso 1 1 calc R U . . .
C22 C 0.4537(3) 0.6426(3) 0.5242(2) 0.0289(9) Uani 1 1 d . . . . .
H22 H 0.529107 0.667188 0.533295 0.035 Uiso 1 1 calc R U . . .
C46 C 0.6785(4) 0.6309(3) 0.9822(2) 0.0320(9) Uani 1 1 d . . . . .
O17 O 0.2376(5) 0.2724(3) 0.6999(3) 0.0846(16) Uani 1 1 d . . . . .
H17A H 0.202189 0.232394 0.718116 0.127 Uiso 1 1 calc R U . . .
C7 C 0.0202(3) 0.2196(4) 0.4842(2) 0.0359(10) Uani 1 1 d . . . . .
H7 H -0.044508 0.220519 0.499932 0.043 Uiso 1 1 calc R U . . .
C29 C 0.2562(4) 0.8185(4) 1.1259(3) 0.0423(11) Uani 1 1 d . . . . .
H29 H 0.227731 0.800950 1.163392 0.051 Uiso 1 1 calc R U . . .
O26 O 0.0040(7) 0.0099(6) 0.7423(3) 0.137(3) Uani 1 1 d . U . . .
C18 C 0.3740(4) 0.7889(4) 0.3876(3) 0.0354(10) Uani 1 1 d . . . . .
C8 C 0.0972(3) 0.3136(3) 0.5032(2) 0.0305(9) Uani 1 1 d . . . . .
C4 C 0.1320(4) 0.1284(4) 0.4220(2) 0.0394(11) Uani 1 1 d . . . . .
H4A H 0.144262 0.065437 0.393646 0.047 Uiso 1 1 calc R U . . .
C23 C 0.5031(3) 0.5410(3) 0.6074(2) 0.0292(9) Uani 1 1 d . . . . .
H23A H 0.539549 0.599427 0.649950 0.035 Uiso 1 1 calc R U . . .
H23B H 0.558082 0.515607 0.583279 0.035 Uiso 1 1 calc R U . . .
C45 C 0.7748(4) 0.5940(4) 1.0037(2) 0.0388(11) Uani 1 1 d . . . . .
H45 H 0.773810 0.520307 0.991430 0.047 Uiso 1 1 calc R U . . .
C27 C 0.3112(4) 0.7506(4) 1.0910(2) 0.0401(11) Uani 1 1 d . . . . .
C1 C 0.1947(3) 0.3153(3) 0.4819(2) 0.0285(9) Uani 1 1 d . . . . .
C20 C 0.4323(3) 0.7536(3) 0.4406(2) 0.0324(9) Uani 1 1 d . . . . .
H20 H 0.507979 0.778415 0.455891 0.039 Uiso 1 1 calc R U . . .
C19 C 0.4262(4) 0.8660(4) 0.3527(3) 0.0486(13) Uani 1 1 d . . . . .
H19A H 0.464361 0.930267 0.389278 0.073 Uiso 1 1 calc R U . . .
H19B H 0.370563 0.883655 0.317564 0.073 Uiso 1 1 calc R U . . .
H19C H 0.477440 0.834137 0.328610 0.073 Uiso 1 1 calc R U . . .
C49 C 0.2980(4) 0.5396(3) 0.8723(2) 0.0325(9) Uani 1 1 d . . . . .
H49 H 0.272828 0.553681 0.917387 0.039 Uiso 1 1 calc R U . . .
C6 C -0.0499(4) 0.0279(4) 0.4204(3) 0.0534(14) Uani 1 1 d . . . . .
H6A H -0.097561 0.031280 0.453170 0.080 Uiso 1 1 calc R U . . .
H6B H -0.015215 -0.033486 0.420832 0.080 Uiso 1 1 calc R U . . .
H6C H -0.092290 0.021599 0.371870 0.080 Uiso 1 1 calc R U . . .
C37 C 0.5635(4) 0.8303(4) 0.7679(3) 0.0394(11) Uani 1 1 d . . . . .
H37A H 0.571078 0.903899 0.763651 0.047 Uiso 1 1 calc R U . . .
H37B H 0.629477 0.803698 0.760672 0.047 Uiso 1 1 calc R U . . .
C34 C 0.3801(4) 0.9010(4) 0.9609(2) 0.0405(11) Uani 1 1 d . . . . .
H34 H 0.372265 0.969172 0.955144 0.049 Uiso 1 1 calc R U . . .
C48 C 0.3977(4) 0.4894(3) 0.8833(2) 0.0308(9) Uani 1 1 d . . . . .
H48A H 0.390105 0.438434 0.912730 0.037 Uiso 1 1 calc R U . . .
H48B H 0.407370 0.451450 0.836643 0.037 Uiso 1 1 calc R U . . .
C5 C 0.0352(4) 0.1269(4) 0.4439(3) 0.0395(11) Uani 1 1 d . . . . .
C14 C 0.2141(3) 0.6780(4) 0.3944(2) 0.0360(10) Uani 1 1 d . . . . .
C17 C 0.2629(4) 0.7483(4) 0.3642(2) 0.0365(10) Uani 1 1 d . . . . .
H17 H 0.220710 0.770375 0.326654 0.044 Uiso 1 1 calc R U . . .
C43 C 0.8696(4) 0.6607(4) 1.0416(3) 0.0463(12) Uani 1 1 d . . . . .
C38 C 0.6769(4) 0.7397(4) 0.9986(2) 0.0397(11) Uani 1 1 d . . . . .
C50 C 0.2069(4) 0.4736(4) 0.8113(2) 0.0344(10) Uani 1 1 d . . . . .
H50A H 0.192712 0.400481 0.816087 0.041 Uiso 1 1 calc R U . . .
H50B H 0.140355 0.503005 0.811648 0.041 Uiso 1 1 calc R U . . .
C30 C 0.2411(4) 0.9132(4) 1.1076(3) 0.0453(12) Uani 1 1 d . . . . .
C25 C 0.5021(4) 0.4329(3) 0.6977(2) 0.0319(9) Uani 1 1 d D . . . .
H25A H 0.464343 0.368755 0.706611 0.038 Uiso 1 1 calc R U . . .
H25B H 0.575692 0.422717 0.694379 0.038 Uiso 1 1 calc R U . . .
C12 C 0.1805(4) 0.7662(4) 0.6917(2) 0.0367(10) Uani 1 1 d . . . . .
H12A H 0.221901 0.834321 0.690913 0.044 Uiso 1 1 calc R U . . .
H12B H 0.106451 0.775337 0.694124 0.044 Uiso 1 1 calc R U . . .
C35 C 0.4635(4) 0.8878(4) 0.8625(2) 0.0385(10) Uani 1 1 d . . . . .
H35A H 0.495724 0.963656 0.881114 0.046 Uiso 1 1 calc R U . . .
H35B H 0.402231 0.879107 0.820906 0.046 Uiso 1 1 calc R U . . .
C31 C 0.1787(5) 0.9846(5) 1.1461(4) 0.0610(16) Uani 1 1 d . . . . .
H31A H 0.105884 0.946033 1.140502 0.092 Uiso 1 1 calc R U . . .
H31B H 0.174146 1.045629 1.125857 0.092 Uiso 1 1 calc R U . . .
H31C H 0.215425 1.008683 1.197030 0.092 Uiso 1 1 calc R U . . .
C52 C 0.2535(5) 0.2142(4) 0.6363(3) 0.0500(13) Uani 1 1 d . . . . .
H52A H 0.183764 0.186044 0.601697 0.075 Uiso 1 1 calc R U . . .
H52B H 0.288912 0.155915 0.645575 0.075 Uiso 1 1 calc R U . . .
H52C H 0.299106 0.259895 0.616788 0.075 Uiso 1 1 calc R U . . .
O23 O 0.0869(7) 0.1720(6) 0.7539(3) 0.135(3) Uani 1 1 d . U . . .
C44 C 0.9707(5) 0.6216(6) 1.0677(4) 0.0648(17) Uani 1 1 d . . . . .
H44A H 0.955499 0.544404 1.055880 0.097 Uiso 1 1 calc R U . . .
H44B H 0.996433 0.649457 1.119594 0.097 Uiso 1 1 calc R U . . .
H44C H 1.026124 0.645406 1.044483 0.097 Uiso 1 1 calc R U . . .
C32 C 0.2826(4) 0.9356(4) 1.0539(3) 0.0429(11) Uani 1 1 d . . . . .
H32 H 0.273396 0.999605 1.041207 0.051 Uiso 1 1 calc R U . . .
C53 C 0.3368(5) 0.9080(5) 0.5827(4) 0.0662(17) Uani 1 1 d . . . . .
H53A H 0.372678 0.930137 0.547748 0.099 Uiso 1 1 calc R U . . .
H53B H 0.294418 0.960295 0.598952 0.099 Uiso 1 1 calc R U . . .
H53C H 0.289085 0.839497 0.560293 0.099 Uiso 1 1 calc R U . . .
C39 C 0.7774(5) 0.8066(4) 1.0379(3) 0.0571(16) Uani 1 1 d . . . . .
C51 C 0.7814(5) 0.6744(6) 0.8324(3) 0.0699(19) Uani 1 1 d . . . . .
H51A H 0.819495 0.737420 0.823472 0.105 Uiso 1 1 calc R U . . .
H51B H 0.833685 0.633210 0.850168 0.105 Uiso 1 1 calc R U . . .
H51C H 0.740714 0.695461 0.868183 0.105 Uiso 1 1 calc R U . . .
C54 C 0.0836(5) 0.7152(5) 0.8936(3) 0.0571(14) Uani 1 1 d . . . . .
H54A H 0.032112 0.651537 0.889785 0.086 Uiso 1 1 calc R U . . .
H54B H 0.062400 0.776749 0.921006 0.086 Uiso 1 1 calc R U . . .
H54C H 0.155854 0.708962 0.918023 0.086 Uiso 1 1 calc R U . . .
C42 C 0.8673(5) 0.7692(5) 1.0588(3) 0.0564(15) Uani 1 1 d . . . . .
H42 H 0.931220 0.817359 1.086069 0.068 Uiso 1 1 calc R U . . .
C3 C 0.3287(5) 0.1259(5) 0.3851(3) 0.0613(16) Uani 1 1 d . . . . .
H3A H 0.277648 0.098762 0.338197 0.092 Uiso 1 1 calc R U . . .
H3B H 0.322029 0.074685 0.413747 0.092 Uiso 1 1 calc R U . . .
H3C H 0.402315 0.137566 0.378835 0.092 Uiso 1 1 calc R U . . .
N5 N 0.0115(11) 0.0886(8) 0.7391(5) 0.133(3) Uani 1 1 d . U . . .
C28 C 0.2883(5) 0.6298(5) 1.1629(3) 0.0560(15) Uani 1 1 d . . . . .
H28A H 0.210762 0.630107 1.153000 0.084 Uiso 1 1 calc R U . . .
H28B H 0.324769 0.680645 1.208446 0.084 Uiso 1 1 calc R U . . .
H28C H 0.300490 0.559145 1.165685 0.084 Uiso 1 1 calc R U . . .
O24 O -0.0990(12) 0.0955(7) 0.7170(6) 0.134(3) Uani 0.7 1 d . U P C 2
C16 C 0.0387(17) 0.6898(16) 0.3271(10) 0.070(5) Uani 0.5 1 d . U P A 2
H16A H 0.060343 0.674931 0.281785 0.104 Uiso 0.5 1 calc R U P A 2
H16B H 0.047192 0.766185 0.345688 0.104 Uiso 0.5 1 calc R U P A 2
H16C H -0.036901 0.656826 0.319141 0.104 Uiso 0.5 1 calc R U P A 2
C55 C 0.3964(11) 0.1182(8) 0.7937(5) 0.117(3) Uani 1 1 d . U . . .
C56 C 0.3985(10) 0.1988(8) 0.8515(5) 0.130(3) Uani 1 1 d . U . . .
H56A H 0.325582 0.213388 0.849213 0.195 Uiso 1 1 calc R U . . .
H56B H 0.446512 0.262183 0.850568 0.195 Uiso 1 1 calc R U . . .
H56C H 0.424900 0.178361 0.895759 0.195 Uiso 1 1 calc R U . . .
C40 C 0.846(3) 0.987(2) 1.107(3) 0.085(9) Uani 0.44(6) 1 d . U P B 2
H40A H 0.842793 1.055095 1.095760 0.128 Uiso 0.44(6) 1 calc R U P B 2
H40B H 0.910786 0.962557 1.096216 0.128 Uiso 0.44(6) 1 calc R U P B 2
H40C H 0.848384 0.993834 1.157452 0.128 Uiso 0.44(6) 1 calc R U P B 2
N6 N 0.3939(10) 0.0510(7) 0.7476(4) 0.141(3) Uani 1 1 d . U . . .
O25 O -0.067(2) 0.147(2) 0.7753(12) 0.124(7) Uani 0.3 1 d . U P C 1
O13A O 0.782(2) 0.9116(13) 1.0467(13) 0.059(5) Uani 0.56(6) 1 d . U P B 1
C41 C 0.881(2) 0.9852(15) 1.0797(16) 0.076(7) Uani 0.56(6) 1 d . U P B 1
H41A H 0.933000 0.972709 1.050373 0.114 Uiso 0.56(6) 1 calc R U P B 1
H41B H 0.910477 0.976134 1.127387 0.114 Uiso 0.56(6) 1 calc R U P B 1
H41C H 0.867693 1.057189 1.083868 0.114 Uiso 0.56(6) 1 calc R U P B 1
O5A O 0.1051(15) 0.6482(11) 0.3777(9) 0.051(4) Uani 0.5 1 d . U P A 2
C15 C 0.0484(16) 0.6407(14) 0.3077(10) 0.066(6) Uani 0.5 1 d . U P A 1
H15A H 0.079453 0.621171 0.266529 0.099 Uiso 0.5 1 calc R U P A 1
H15B H 0.048797 0.716662 0.318966 0.099 Uiso 0.5 1 calc R U P A 1
H15C H -0.025891 0.602154 0.296183 0.099 Uiso 0.5 1 calc R U P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O7 2.359(3) . ?
Dy1 O3 2.364(3) . ?
Dy1 O8 2.425(3) . ?
Dy1 O12 2.412(3) . ?
Dy1 O11 2.342(3) . ?
Dy1 O4 2.369(3) . ?
Dy1 O15 2.344(3) . ?
Dy1 O16 2.391(3) . ?
Co1 O7 1.917(3) . ?
Co1 O3 1.906(3) . ?
Co1 O6 1.908(3) . ?
Co1 O2 1.922(3) . ?
Co1 N1 1.891(3) . ?
Co1 N2 1.903(3) . ?
Co2 O10 1.895(3) . ?
Co2 O11 1.909(3) . ?
Co2 O15 1.916(3) . ?
Co2 O14 1.895(3) . ?
Co2 N4 1.902(3) . ?
Co2 N3 1.897(4) . ?
O7 C24 1.422(5) . ?
O3 C11 1.423(5) . ?
O6 C13 1.310(5) . ?
O10 C26 1.305(5) . ?
O8 H8 0.886(10) . ?
O8 C25 1.447(5) . ?
O12 H12 0.8400 . ?
O12 C50 1.431(5) . ?
O11 C49 1.428(5) . ?
O4 H4 0.8400 . ?
O4 C12 1.445(5) . ?
O15 C36 1.425(5) . ?
O2 C1 1.324(5) . ?
O1 C2 1.371(6) . ?
O1 C3 1.427(6) . ?
O16 H16 0.8400 . ?
O16 C37 1.437(5) . ?
N1 C9 1.290(6) . ?
N1 C10 1.470(6) . ?
O14 C38 1.302(6) . ?
N2 C22 1.287(5) . ?
N2 C23 1.473(5) . ?
N4 C47 1.283(6) . ?
N4 C48 1.467(6) . ?
O5 C14 1.410(17) . ?
O5 C15 1.411(17) . ?
O22 H22A 0.880(19) . ?
O22 H22B 0.852(19) . ?
O9 C27 1.376(6) . ?
O9 C28 1.416(6) . ?
N3 C34 1.289(6) . ?
N3 C35 1.467(6) . ?
O21 H21A 0.87(2) . ?
O21 H21B 0.87(2) . ?
O13 C39 1.48(2) . ?
O13 C40 1.41(2) . ?
C2 C4 1.375(6) . ?
C2 C1 1.426(6) . ?
O18 H18 0.8400 . ?
O18 C51 1.414(7) . ?
O19 H19 0.8400 . ?
O19 C53 1.363(7) . ?
O20 H20A 0.8400 . ?
O20 C54 1.388(7) . ?
C26 C33 1.422(6) . ?
C26 C27 1.429(7) . ?
C21 C13 1.410(6) . ?
C21 C22 1.428(6) . ?
C21 C20 1.416(6) . ?
C33 C34 1.428(7) . ?
C33 C32 1.414(7) . ?
C47 H47 0.9500 . ?
C47 C46 1.439(6) . ?
C9 H9 0.9500 . ?
C9 C8 1.436(7) . ?
C36 H36 1.0000 . ?
C36 C37 1.516(7) . ?
C36 C35 1.518(7) . ?
C11 H11 1.0000 . ?
C11 C10 1.516(6) . ?
C11 C12 1.516(7) . ?
C13 C14 1.433(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C24 H24 1.0000 . ?
C24 C23 1.523(6) . ?
C24 C25 1.508(6) . ?
C22 H22 0.9500 . ?
C46 C45 1.414(6) . ?
C46 C38 1.410(7) . ?
O17 H17A 0.8400 . ?
O17 C52 1.395(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.411(6) . ?
C7 C5 1.371(7) . ?
C29 H29 0.9500 . ?
C29 C27 1.376(7) . ?
C29 C30 1.405(7) . ?
O26 N5 1.051(10) . ?
C18 C20 1.365(6) . ?
C18 C19 1.513(6) . ?
C18 C17 1.403(6) . ?
C8 C1 1.408(6) . ?
C4 H4A 0.9500 . ?
C4 C5 1.405(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C45 H45 0.9500 . ?
C45 C43 1.371(7) . ?
C20 H20 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C49 H49 1.0000 . ?
C49 C48 1.523(6) . ?
C49 C50 1.509(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 C5 1.509(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C34 H34 0.9500 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C14 C17 1.365(6) . ?
C14 O5A 1.358(19) . ?
C17 H17 0.9500 . ?
C43 C44 1.502(8) . ?
C43 C42 1.408(8) . ?
C38 C39 1.430(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C30 C31 1.506(7) . ?
C30 C32 1.354(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
O23 N5 1.306(11) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C32 H32 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C39 C42 1.345(8) . ?
C39 O13A 1.354(18) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C42 H42 0.9500 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
N5 O24 1.424(16) . ?
N5 O25 1.55(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 O5A 1.43(2) . ?
C55 C56 1.374(12) . ?
C55 N6 1.118(11) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
O13A C41 1.433(17) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?

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
O7 Dy1 O3 65.61(10) . . ?
O7 Dy1 O8 67.10(9) . . ?
O7 Dy1 O12 69.65(10) . . ?
O7 Dy1 O4 122.44(10) . . ?
O7 Dy1 O16 102.90(10) . . ?
O3 Dy1 O8 123.03(10) . . ?
O3 Dy1 O12 101.63(10) . . ?
O3 Dy1 O4 67.12(10) . . ?
O3 Dy1 O16 68.00(10) . . ?
O12 Dy1 O8 89.89(10) . . ?
O11 Dy1 O7 134.05(10) . . ?
O11 Dy1 O3 137.54(10) . . ?
O11 Dy1 O8 98.44(10) . . ?
O11 Dy1 O12 66.87(10) . . ?
O11 Dy1 O4 72.02(10) . . ?
O11 Dy1 O15 66.20(11) . . ?
O11 Dy1 O16 122.05(10) . . ?
O4 Dy1 O8 169.59(10) . . ?
O4 Dy1 O12 90.03(11) . . ?
O4 Dy1 O16 87.82(11) . . ?
O15 Dy1 O7 134.17(10) . . ?
O15 Dy1 O3 133.24(10) . . ?
O15 Dy1 O8 69.48(10) . . ?
O15 Dy1 O12 124.42(10) . . ?
O15 Dy1 O4 102.16(11) . . ?
O15 Dy1 O16 66.17(10) . . ?
O16 Dy1 O8 94.08(10) . . ?
O16 Dy1 O12 169.40(10) . . ?
O7 Co1 O2 92.46(13) . . ?
O3 Co1 O7 84.06(12) . . ?
O3 Co1 O6 94.78(13) . . ?
O3 Co1 O2 175.95(12) . . ?
O6 Co1 O7 177.27(12) . . ?
O6 Co1 O2 88.79(14) . . ?
N1 Co1 O7 94.50(13) . . ?
N1 Co1 O3 83.58(14) . . ?
N1 Co1 O6 87.81(13) . . ?
N1 Co1 O2 94.65(14) . . ?
N1 Co1 N2 174.75(15) . . ?
N2 Co1 O7 83.62(13) . . ?
N2 Co1 O3 91.33(13) . . ?
N2 Co1 O6 93.95(13) . . ?
N2 Co1 O2 90.34(13) . . ?
O10 Co2 O11 93.24(14) . . ?
O10 Co2 O15 177.18(14) . . ?
O10 Co2 O14 90.27(16) . . ?
O10 Co2 N4 86.94(14) . . ?
O10 Co2 N3 95.50(15) . . ?
O11 Co2 O15 83.96(12) . . ?
O14 Co2 O11 176.33(15) . . ?
O14 Co2 O15 92.54(15) . . ?
O14 Co2 N4 94.92(14) . . ?
O14 Co2 N3 86.55(15) . . ?
N4 Co2 O11 84.20(14) . . ?
N4 Co2 O15 93.09(13) . . ?
N3 Co2 O11 94.18(14) . . ?
N3 Co2 O15 84.40(15) . . ?
N3 Co2 N4 177.15(15) . . ?
Co1 O7 Dy1 105.07(12) . . ?
C24 O7 Dy1 115.8(2) . . ?
C24 O7 Co1 108.4(2) . . ?
Co1 O3 Dy1 105.26(12) . . ?
C11 O3 Dy1 116.7(2) . . ?
C11 O3 Co1 109.9(2) . . ?
C13 O6 Co1 124.7(3) . . ?
C26 O10 Co2 124.9(3) . . ?
Dy1 O8 H8 124.7(16) . . ?
C25 O8 Dy1 117.9(2) . . ?
C25 O8 H8 104.2(15) . . ?
Dy1 O12 H12 121.2 . . ?
C50 O12 Dy1 118.8(2) . . ?
C50 O12 H12 109.5 . . ?
Co2 O11 Dy1 105.04(13) . . ?
C49 O11 Dy1 116.4(2) . . ?
C49 O11 Co2 108.1(2) . . ?
Dy1 O4 H4 129.4 . . ?
C12 O4 Dy1 120.4(2) . . ?
C12 O4 H4 109.5 . . ?
Co2 O15 Dy1 104.73(13) . . ?
C36 O15 Dy1 117.8(2) . . ?
C36 O15 Co2 108.5(3) . . ?
C1 O2 Co1 123.9(3) . . ?
C2 O1 C3 116.7(4) . . ?
Dy1 O16 H16 128.4 . . ?
C37 O16 Dy1 121.1(2) . . ?
C37 O16 H16 109.5 . . ?
C9 N1 Co1 126.8(3) . . ?
C9 N1 C10 118.8(4) . . ?
C10 N1 Co1 114.4(3) . . ?
C38 O14 Co2 124.1(3) . . ?
C22 N2 Co1 126.2(3) . . ?
C22 N2 C23 119.2(3) . . ?
C23 N2 Co1 114.1(3) . . ?
C47 N4 Co2 125.9(3) . . ?
C47 N4 C48 120.5(4) . . ?
C48 N4 Co2 113.6(3) . . ?
C14 O5 C15 113.8(13) . . ?
H22A O22 H22B 111(4) . . ?
C27 O9 C28 117.7(4) . . ?
C34 N3 Co2 125.5(3) . . ?
C34 N3 C35 120.7(4) . . ?
C35 N3 Co2 113.8(3) . . ?
H21A O21 H21B 104(4) . . ?
C40 O13 C39 113.0(17) . . ?
O1 C2 C4 124.0(4) . . ?
O1 C2 C1 114.6(4) . . ?
C4 C2 C1 121.4(4) . . ?
C51 O18 H18 109.5 . . ?
C53 O19 H19 109.5 . . ?
C54 O20 H20A 109.5 . . ?
O10 C26 C33 125.9(4) . . ?
O10 C26 C27 118.2(4) . . ?
C33 C26 C27 115.9(4) . . ?
C13 C21 C22 121.7(4) . . ?
C13 C21 C20 120.1(4) . . ?
C20 C21 C22 118.1(4) . . ?
C26 C33 C34 122.1(4) . . ?
C32 C33 C26 120.0(5) . . ?
C32 C33 C34 117.9(4) . . ?
N4 C47 H47 117.4 . . ?
N4 C47 C46 125.1(4) . . ?
C46 C47 H47 117.4 . . ?
N1 C9 H9 117.5 . . ?
N1 C9 C8 125.0(4) . . ?
C8 C9 H9 117.5 . . ?
O15 C36 H36 109.7 . . ?
O15 C36 C37 107.4(4) . . ?
O15 C36 C35 107.6(4) . . ?
C37 C36 H36 109.7 . . ?
C37 C36 C35 112.8(4) . . ?
C35 C36 H36 109.7 . . ?
O3 C11 H11 109.7 . . ?
O3 C11 C10 107.0(3) . . ?
O3 C11 C12 107.9(3) . . ?
C10 C11 H11 109.7 . . ?
C12 C11 H11 109.7 . . ?
C12 C11 C10 112.8(4) . . ?
O6 C13 C21 126.4(4) . . ?
O6 C13 C14 117.8(4) . . ?
C21 C13 C14 115.8(4) . . ?
N1 C10 C11 107.0(3) . . ?
N1 C10 H10A 110.3 . . ?
N1 C10 H10B 110.3 . . ?
C11 C10 H10A 110.3 . . ?
C11 C10 H10B 110.3 . . ?
H10A C10 H10B 108.6 . . ?
O7 C24 H24 109.9 . . ?
O7 C24 C23 107.1(3) . . ?
O7 C24 C25 107.3(3) . . ?
C23 C24 H24 109.9 . . ?
C25 C24 H24 109.9 . . ?
C25 C24 C23 112.5(3) . . ?
N2 C22 C21 125.1(4) . . ?
N2 C22 H22 117.4 . . ?
C21 C22 H22 117.4 . . ?
C45 C46 C47 117.8(4) . . ?
C38 C46 C47 121.6(4) . . ?
C38 C46 C45 120.6(4) . . ?
C52 O17 H17A 109.5 . . ?
C8 C7 H7 118.8 . . ?
C5 C7 H7 118.8 . . ?
C5 C7 C8 122.4(4) . . ?
C27 C29 H29 119.2 . . ?
C27 C29 C30 121.6(5) . . ?
C30 C29 H29 119.2 . . ?
C20 C18 C19 122.1(4) . . ?
C20 C18 C17 117.6(4) . . ?
C17 C18 C19 120.3(4) . . ?
C7 C8 C9 117.0(4) . . ?
C1 C8 C9 122.4(4) . . ?
C1 C8 C7 120.6(4) . . ?
C2 C4 H4A 119.0 . . ?
C2 C4 C5 122.0(5) . . ?
C5 C4 H4A 119.0 . . ?
N2 C23 C24 106.0(3) . . ?
N2 C23 H23A 110.5 . . ?
N2 C23 H23B 110.5 . . ?
C24 C23 H23A 110.5 . . ?
C24 C23 H23B 110.5 . . ?
H23A C23 H23B 108.7 . . ?
C46 C45 H45 118.8 . . ?
C43 C45 C46 122.4(5) . . ?
C43 C45 H45 118.8 . . ?
O9 C27 C26 114.0(4) . . ?
O9 C27 C29 124.3(5) . . ?
C29 C27 C26 121.8(5) . . ?
O2 C1 C2 117.7(4) . . ?
O2 C1 C8 125.8(4) . . ?
C8 C1 C2 116.4(4) . . ?
C21 C20 H20 118.7 . . ?
C18 C20 C21 122.6(4) . . ?
C18 C20 H20 118.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O11 C49 H49 109.7 . . ?
O11 C49 C48 107.6(3) . . ?
O11 C49 C50 106.9(3) . . ?
C48 C49 H49 109.7 . . ?
C50 C49 H49 109.7 . . ?
C50 C49 C48 113.3(4) . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
O16 C37 C36 107.1(4) . . ?
O16 C37 H37A 110.3 . . ?
O16 C37 H37B 110.3 . . ?
C36 C37 H37A 110.3 . . ?
C36 C37 H37B 110.3 . . ?
H37A C37 H37B 108.6 . . ?
N3 C34 C33 125.8(4) . . ?
N3 C34 H34 117.1 . . ?
C33 C34 H34 117.1 . . ?
N4 C48 C49 107.2(3) . . ?
N4 C48 H48A 110.3 . . ?
N4 C48 H48B 110.3 . . ?
C49 C48 H48A 110.3 . . ?
C49 C48 H48B 110.3 . . ?
H48A C48 H48B 108.5 . . ?
C7 C5 C4 117.2(4) . . ?
C7 C5 C6 122.3(5) . . ?
C4 C5 C6 120.5(5) . . ?
O5 C14 C13 110.1(7) . . ?
C17 C14 O5 126.9(7) . . ?
C17 C14 C13 122.1(4) . . ?
O5A C14 C13 115.7(8) . . ?
O5A C14 C17 121.3(8) . . ?
C18 C17 H17 119.3 . . ?
C14 C17 C18 121.4(4) . . ?
C14 C17 H17 119.3 . . ?
C45 C43 C44 122.6(5) . . ?
C45 C43 C42 116.9(5) . . ?
C42 C43 C44 120.4(5) . . ?
O14 C38 C46 126.8(4) . . ?
O14 C38 C39 117.8(5) . . ?
C46 C38 C39 115.3(5) . . ?
O12 C50 C49 108.0(3) . . ?
O12 C50 H50A 110.1 . . ?
O12 C50 H50B 110.1 . . ?
C49 C50 H50A 110.1 . . ?
C49 C50 H50B 110.1 . . ?
H50A C50 H50B 108.4 . . ?
C29 C30 C31 120.2(5) . . ?
C32 C30 C29 117.6(5) . . ?
C32 C30 C31 122.2(5) . . ?
O8 C25 C24 107.8(3) . . ?
O8 C25 H25A 110.1 . . ?
O8 C25 H25B 110.1 . . ?
C24 C25 H25A 110.1 . . ?
C24 C25 H25B 110.1 . . ?
H25A C25 H25B 108.5 . . ?
O4 C12 C11 106.8(3) . . ?
O4 C12 H12A 110.4 . . ?
O4 C12 H12B 110.4 . . ?
C11 C12 H12A 110.4 . . ?
C11 C12 H12B 110.4 . . ?
H12A C12 H12B 108.6 . . ?
N3 C35 C36 106.7(4) . . ?
N3 C35 H35A 110.4 . . ?
N3 C35 H35B 110.4 . . ?
C36 C35 H35A 110.4 . . ?
C36 C35 H35B 110.4 . . ?
H35A C35 H35B 108.6 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O17 C52 H52A 109.5 . . ?
O17 C52 H52B 109.5 . . ?
O17 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C33 C32 H32 118.5 . . ?
C30 C32 C33 123.0(5) . . ?
C30 C32 H32 118.5 . . ?
O19 C53 H53A 109.5 . . ?
O19 C53 H53B 109.5 . . ?
O19 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C38 C39 O13 106.8(10) . . ?
C42 C39 O13 128.6(9) . . ?
C42 C39 C38 122.8(5) . . ?
C42 C39 O13A 120.2(11) . . ?
O13A C39 C38 116.6(9) . . ?
O18 C51 H51A 109.5 . . ?
O18 C51 H51B 109.5 . . ?
O18 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O20 C54 H54A 109.5 . . ?
O20 C54 H54B 109.5 . . ?
O20 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C43 C42 H42 119.0 . . ?
C39 C42 C43 122.0(5) . . ?
C39 C42 H42 119.0 . . ?
O1 C3 H3A 109.5 . . ?
O1 C3 H3B 109.5 . . ?
O1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O26 N5 O23 138.8(15) . . ?
O26 N5 O24 100.5(12) . . ?
O26 N5 O25 112.1(14) . . ?
O23 N5 O24 120.5(11) . . ?
O23 N5 O25 95.1(14) . . ?
O9 C28 H28A 109.5 . . ?
O9 C28 H28B 109.5 . . ?
O9 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O5A C16 H16A 109.5 . . ?
O5A C16 H16B 109.5 . . ?
O5A C16 H16C 109.5 . . ?
N6 C55 C56 178.4(13) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O13 C40 H40A 109.5 . . ?
O13 C40 H40B 109.5 . . ?
O13 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 O13A C41 121.3(15) . . ?
O13A C41 H41A 109.5 . . ?
O13A C41 H41B 109.5 . . ?
O13A C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C14 O5A C16 120.3(16) . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O7 C24 C23 -68.6(3) . . . . ?
Dy1 O7 C24 C25 52.5(4) . . . . ?
Dy1 O3 C11 C10 -73.6(4) . . . . ?
Dy1 O3 C11 C12 48.0(4) . . . . ?
Dy1 O8 C25 C24 28.6(4) . . . . ?
Dy1 O12 C50 C49 -27.2(4) . . . . ?
Dy1 O11 C49 C48 70.2(3) . . . . ?
Dy1 O11 C49 C50 -51.8(4) . . . . ?
Dy1 O4 C12 C11 30.1(4) . . . . ?
Dy1 O15 C36 C37 -49.5(4) . . . . ?
Dy1 O15 C36 C35 72.1(4) . . . . ?
Dy1 O16 C37 C36 -25.1(5) . . . . ?
Co1 O7 C24 C23 49.1(3) . . . . ?
Co1 O7 C24 C25 170.2(3) . . . . ?
Co1 O3 C11 C10 46.1(3) . . . . ?
Co1 O3 C11 C12 167.7(3) . . . . ?
Co1 O6 C13 C21 1.4(6) . . . . ?
Co1 O6 C13 C14 179.7(3) . . . . ?
Co1 O2 C1 C2 -169.9(3) . . . . ?
Co1 O2 C1 C8 12.7(6) . . . . ?
Co1 N1 C9 C8 3.3(6) . . . . ?
Co1 N1 C10 C11 14.4(4) . . . . ?
Co1 N2 C22 C21 -9.9(6) . . . . ?
Co1 N2 C23 C24 16.4(4) . . . . ?
Co2 O10 C26 C33 -3.7(6) . . . . ?
Co2 O10 C26 C27 176.8(3) . . . . ?
Co2 O11 C49 C48 -47.6(3) . . . . ?
Co2 O11 C49 C50 -169.6(3) . . . . ?
Co2 O15 C36 C37 -168.3(3) . . . . ?
Co2 O15 C36 C35 -46.6(4) . . . . ?
Co2 O14 C38 C46 -10.0(7) . . . . ?
Co2 O14 C38 C39 171.8(4) . . . . ?
Co2 N4 C47 C46 0.3(6) . . . . ?
Co2 N4 C48 C49 -12.2(4) . . . . ?
Co2 N3 C34 C33 -3.4(7) . . . . ?
Co2 N3 C35 C36 -18.0(4) . . . . ?
O7 Co1 N1 C9 -88.1(3) . . . . ?
O7 Co1 N1 C10 91.8(3) . . . . ?
O7 C24 C23 N2 -41.6(4) . . . . ?
O7 C24 C25 O8 -50.4(4) . . . . ?
O3 Co1 N1 C9 -171.6(3) . . . . ?
O3 Co1 N1 C10 8.3(3) . . . . ?
O3 C11 C10 N1 -38.0(4) . . . . ?
O3 C11 C12 O4 -47.9(4) . . . . ?
O6 Co1 N1 C9 93.3(3) . . . . ?
O6 Co1 N1 C10 -86.8(3) . . . . ?
O6 C13 C14 O5 -14.6(8) . . . . ?
O6 C13 C14 C17 174.9(4) . . . . ?
O6 C13 C14 O5A 5.2(9) . . . . ?
O10 Co2 O14 C38 99.8(4) . . . . ?
O10 Co2 N3 C34 -1.0(4) . . . . ?
O10 Co2 N3 C35 177.3(3) . . . . ?
O10 C26 C33 C34 -1.4(7) . . . . ?
O10 C26 C33 C32 179.2(4) . . . . ?
O10 C26 C27 O9 1.2(6) . . . . ?
O10 C26 C27 C29 -178.6(4) . . . . ?
O11 Co2 O10 C26 -90.1(4) . . . . ?
O11 Co2 N3 C34 92.7(4) . . . . ?
O11 Co2 N3 C35 -89.0(3) . . . . ?
O11 C49 C48 N4 38.2(4) . . . . ?
O11 C49 C50 O12 48.6(5) . . . . ?
O15 Co2 O14 C38 -80.5(4) . . . . ?
O15 Co2 N3 C34 176.2(4) . . . . ?
O15 Co2 N3 C35 -5.5(3) . . . . ?
O15 C36 C37 O16 45.0(5) . . . . ?
O15 C36 C35 N3 41.3(4) . . . . ?
O2 Co1 N1 C9 4.7(3) . . . . ?
O2 Co1 N1 C10 -175.4(3) . . . . ?
O1 C2 C4 C5 179.4(4) . . . . ?
O1 C2 C1 O2 2.5(6) . . . . ?
O1 C2 C1 C8 -179.9(4) . . . . ?
N1 C9 C8 C7 173.3(4) . . . . ?
N1 C9 C8 C1 -6.6(6) . . . . ?
O14 Co2 O10 C26 90.9(4) . . . . ?
O14 Co2 N3 C34 -90.9(4) . . . . ?
O14 Co2 N3 C35 87.4(3) . . . . ?
O14 C38 C39 O13 11.8(15) . . . . ?
O14 C38 C39 C42 177.7(5) . . . . ?
O14 C38 C39 O13A -9.6(18) . . . . ?
N4 Co2 O10 C26 -174.1(4) . . . . ?
N4 Co2 O14 C38 12.8(4) . . . . ?
N4 C47 C46 C45 -175.8(4) . . . . ?
N4 C47 C46 C38 6.8(7) . . . . ?
O5 C14 C17 C18 -165.7(8) . . . . ?
N3 Co2 O10 C26 4.4(4) . . . . ?
N3 Co2 O14 C38 -164.7(4) . . . . ?
O13 C39 C42 C43 164.5(18) . . . . ?
C2 C4 C5 C7 0.6(7) . . . . ?
C2 C4 C5 C6 177.7(4) . . . . ?
C26 C33 C34 N3 5.3(7) . . . . ?
C26 C33 C32 C30 0.2(7) . . . . ?
C21 C13 C14 O5 163.9(7) . . . . ?
C21 C13 C14 C17 -6.6(7) . . . . ?
C21 C13 C14 O5A -176.3(8) . . . . ?
C33 C26 C27 O9 -178.4(4) . . . . ?
C33 C26 C27 C29 1.9(7) . . . . ?
C47 N4 C48 C49 168.7(4) . . . . ?
C47 C46 C45 C43 -176.6(4) . . . . ?
C47 C46 C38 O14 -1.5(7) . . . . ?
C47 C46 C38 C39 176.8(4) . . . . ?
C9 N1 C10 C11 -165.7(3) . . . . ?
C9 C8 C1 O2 -2.2(6) . . . . ?
C9 C8 C1 C2 -179.6(4) . . . . ?
C13 C21 C22 N2 -3.6(7) . . . . ?
C13 C21 C20 C18 -1.7(7) . . . . ?
C13 C14 C17 C18 3.1(8) . . . . ?
C13 C14 O5A C16 170.4(13) . . . . ?
C10 N1 C9 C8 -176.6(4) . . . . ?
C10 C11 C12 O4 70.1(4) . . . . ?
C22 N2 C23 C24 -171.0(4) . . . . ?
C22 C21 C13 O6 8.1(7) . . . . ?
C22 C21 C13 C14 -170.3(4) . . . . ?
C22 C21 C20 C18 174.5(4) . . . . ?
C46 C45 C43 C44 176.9(5) . . . . ?
C46 C45 C43 C42 0.2(7) . . . . ?
C46 C38 C39 O13 -166.6(14) . . . . ?
C46 C38 C39 C42 -0.8(8) . . . . ?
C46 C38 C39 O13A 172.0(17) . . . . ?
C7 C8 C1 O2 177.9(4) . . . . ?
C7 C8 C1 C2 0.5(6) . . . . ?
C29 C30 C32 C33 0.4(7) . . . . ?
C8 C7 C5 C4 0.4(6) . . . . ?
C8 C7 C5 C6 -176.7(4) . . . . ?
C4 C2 C1 O2 -177.1(4) . . . . ?
C4 C2 C1 C8 0.5(6) . . . . ?
C23 N2 C22 C21 178.4(4) . . . . ?
C23 C24 C25 O8 67.2(4) . . . . ?
C45 C46 C38 O14 -178.8(4) . . . . ?
C45 C46 C38 C39 -0.5(7) . . . . ?
C45 C43 C42 C39 -1.5(9) . . . . ?
C27 C26 C33 C34 178.1(4) . . . . ?
C27 C26 C33 C32 -1.3(6) . . . . ?
C27 C29 C30 C31 178.9(5) . . . . ?
C27 C29 C30 C32 0.1(7) . . . . ?
C1 C2 C4 C5 -1.0(7) . . . . ?
C20 C21 C13 O6 -175.8(4) . . . . ?
C20 C21 C13 C14 5.8(6) . . . . ?
C20 C21 C22 N2 -179.7(4) . . . . ?
C20 C18 C17 C14 1.4(7) . . . . ?
C19 C18 C20 C21 179.9(4) . . . . ?
C19 C18 C17 C14 179.4(5) . . . . ?
C37 C36 C35 N3 159.6(4) . . . . ?
C34 N3 C35 C36 160.3(4) . . . . ?
C34 C33 C32 C30 -179.2(4) . . . . ?
C48 N4 C47 C46 179.3(4) . . . . ?
C48 C49 C50 O12 -69.7(4) . . . . ?
C5 C7 C8 C9 179.1(4) . . . . ?
C5 C7 C8 C1 -0.9(6) . . . . ?
C17 C18 C20 C21 -2.1(7) . . . . ?
C17 C14 O5A C16 0.6(19) . . . . ?
C38 C46 C45 C43 0.8(7) . . . . ?
C38 C39 C42 C43 1.8(10) . . . . ?
C38 C39 O13A C41 -174.5(12) . . . . ?
C50 C49 C48 N4 156.2(3) . . . . ?
C30 C29 C27 O9 178.9(5) . . . . ?
C30 C29 C27 C26 -1.3(8) . . . . ?
C25 C24 C23 N2 -159.3(3) . . . . ?
C12 C11 C10 N1 -156.5(3) . . . . ?
C35 N3 C34 C33 178.4(4) . . . . ?
C35 C36 C37 O16 -73.4(5) . . . . ?
C31 C30 C32 C33 -178.3(5) . . . . ?
C44 C43 C42 C39 -178.3(6) . . . . ?
C32 C33 C34 N3 -175.3(4) . . . . ?
C42 C39 O13A C41 -2(2) . . . . ?
C3 O1 C2 C4 -6.2(7) . . . . ?
C3 O1 C2 C1 174.2(4) . . . . ?
C28 O9 C27 C26 -178.7(5) . . . . ?
C28 O9 C27 C29 1.1(7) . . . . ?
C40 O13 C39 C38 178.0(17) . . . . ?
C40 O13 C39 C42 13(2) . . . . ?
O13A C39 C42 C43 -170.7(17) . . . . ?
O5A C14 C17 C18 172.3(9) . . . . ?
C15 O5 C14 C13 -178.8(12) . . . . ?
C15 O5 C14 C17 -8.9(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
