# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

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

data_complex_2
_database_code_depnum_ccdc_archive 'CCDC 1979235'
loop_
_audit_author_name
_audit_author_address
'Hui-Sheng Wang'
;Wuhan Institute of Technology
China
;
_audit_update_record             
;
2020-05-19 deposited with the CCDC.	2020-08-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H86 Cl0 Dy2 Mn4 N14 O27'
_chemical_formula_weight         2124.30

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'
Cl Cl 0.1484 0.1585 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+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                   18.7726(14)
_cell_length_b                   11.0470(7)
_cell_length_c                   19.4765(13)
_cell_angle_alpha                90
_cell_angle_beta                 97.954(2)
_cell_angle_gamma                90
_cell_volume                     4000.2(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4333
_cell_measurement_theta_min      2.9019
_cell_measurement_theta_max      25.2760

_exptl_crystal_description       block
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_F_000             2128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    2.546
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6347
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12268
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.115
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3512
_reflns_number_gt                2836
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0294P)²+8.2282P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3512
_refine_ls_number_parameters     273
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0763
_refine_ls_wR_factor_gt          0.0719
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1318(3) 0.2954(4) 0.4648(2) 0.0213(11) Uani 1 1 d . . . . .
C2 C 0.1944(3) 0.3669(4) 0.4763(2) 0.0241(12) Uani 1 1 d . . . . .
H2 H 0.2350 0.3450 0.4549 0.029 Uiso 1 1 calc R U . . .
C3 C 0.1978(3) 0.4673(5) 0.5178(3) 0.0287(12) Uani 1 1 d . . . . .
H3 H 0.2404 0.5147 0.5237 0.034 Uiso 1 1 calc R U . . .
C4 C 0.1404(3) 0.5013(4) 0.5513(3) 0.0291(13) Uani 1 1 d . . . . .
H4 H 0.1440 0.5699 0.5810 0.035 Uiso 1 1 calc R U . . .
C5 C 0.0786(3) 0.4342(4) 0.5409(3) 0.0270(12) Uani 1 1 d . . . . .
H5 H 0.0391 0.4570 0.5637 0.032 Uiso 1 1 calc R U . . .
C6 C 0.0721(3) 0.3324(4) 0.4972(2) 0.0210(11) Uani 1 1 d . . . . .
C7 C 0.0031(3) 0.2742(4) 0.4840(2) 0.0223(11) Uani 1 1 d . . . . .
H7 H -0.0333 0.3011 0.5098 0.027 Uiso 1 1 calc R U . . .
C8 C -0.0870(2) 0.1387(4) 0.4274(2) 0.0202(11) Uani 1 1 d . . . . .
H8 H -0.1225 0.2017 0.4371 0.024 Uiso 1 1 calc R U . . .
C9 C -0.0981(3) 0.1064(4) 0.3504(2) 0.0234(12) Uani 1 1 d . . . . .
H9A H -0.1407 0.0534 0.3397 0.028 Uiso 1 1 calc R U . . .
H9B H -0.1062 0.1808 0.3221 0.028 Uiso 1 1 calc R U . . .
C10 C -0.0954(3) 0.0254(4) 0.4706(2) 0.0224(11) Uani 1 1 d . . . . .
H10A H -0.1467 0.0014 0.4642 0.027 Uiso 1 1 calc R U . . .
H10B H -0.0678 -0.0415 0.4531 0.027 Uiso 1 1 calc R U . . .
C11 C 0.1409(3) -0.2236(4) 0.1799(3) 0.0265(12) Uani 1 1 d . . . . .
H11 H 0.1016 -0.2636 0.1532 0.032 Uiso 1 1 calc R U . . .
C12 C 0.2093(3) -0.2438(5) 0.1640(3) 0.0313(13) Uani 1 1 d . . . . .
H12 H 0.2166 -0.2967 0.1272 0.038 Uiso 1 1 calc R U . . .
C13 C 0.2667(3) -0.1869(5) 0.2020(3) 0.0321(13) Uani 1 1 d . . . . .
H13 H 0.3143 -0.1999 0.1921 0.039 Uiso 1 1 calc R U . . .
C14 C 0.2538(3) -0.1106(5) 0.2545(3) 0.0310(13) Uani 1 1 d . . . . .
H14 H 0.2925 -0.0696 0.2813 0.037 Uiso 1 1 calc R U . . .
C15 C 0.1838(3) -0.0938(4) 0.2682(2) 0.0221(11) Uani 1 1 d . . . . .
C16 C -0.1676(3) -0.0087(5) 0.1764(3) 0.0283(13) Uani 1 1 d . . . . .
H16A H -0.1826 -0.0459 0.1304 0.034 Uiso 1 1 calc R U . . .
H16B H -0.1955 0.0668 0.1789 0.034 Uiso 1 1 calc R U . . .
C17 C -0.0797(3) -0.2891(5) 0.1407(3) 0.0347(14) Uani 1 1 d . . . . .
C18 C -0.0991(4) -0.4110(6) 0.1681(4) 0.067(2) Uani 1 1 d . . . . .
H18A H -0.1515 -0.4171 0.1657 0.101 Uiso 1 1 calc R U . . .
H18B H -0.0768 -0.4196 0.2164 0.101 Uiso 1 1 calc R U . . .
H18C H -0.0817 -0.4754 0.1401 0.101 Uiso 1 1 calc R U . . .
Dy1 Dy 0.0000 -0.08436(3) 0.2500 0.01789(11) Uani 1 2 d S T P . .
Mn1 Mn -0.05089(4) 0.11699(6) 0.12094(4) 0.01846(19) Uani 1 1 d . . . . .
N1 N -0.0132(2) 0.1884(3) 0.44010(19) 0.0183(9) Uani 1 1 d . . . . .
N2 N 0.1275(2) -0.1498(3) 0.23141(19) 0.0204(9) Uani 1 1 d . . . . .
N3 N -0.0354(3) 0.2794(4) 0.1947(2) 0.0340(11) Uani 1 1 d . . . . .
N4 N 0.0000 0.2791(5) 0.2500 0.0246(14) Uani 1 2 d S T P . .
O1 O 0.13175(16) 0.1972(3) 0.42572(16) 0.0205(7) Uani 1 1 d . . . . .
O2 O -0.03525(16) 0.0453(3) 0.33490(16) 0.0202(7) Uani 1 1 d . . . . .
O3 O -0.07166(18) 0.0409(3) 0.54293(16) 0.0249(8) Uani 1 1 d . . . . .
H3A H -0.0879 0.1072 0.5565 0.030 Uiso 1 1 d R U . . .
O4 O -0.09414(16) 0.0189(3) 0.18344(16) 0.0205(8) Uani 1 1 d . . . . .
O5 O -0.0245(2) -0.2343(3) 0.16938(18) 0.0334(9) Uani 1 1 d . . . . .
O6 O -0.1201(2) -0.2480(4) 0.0893(2) 0.0450(11) Uani 1 1 d . . . . .
O7 O 0.7390(5) 0.7338(9) 0.0455(5) 0.141(4) Uani 0.75 1 d . U P . .
H7A H 0.7746 0.7044 0.0719 0.170 Uiso 0.75 1 d R U P . .
H7B H 0.7545 0.7934 0.0242 0.170 Uiso 0.75 1 d R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.325(6) . ?
C1 C2 1.407(7) . ?
C1 C6 1.421(7) . ?
C2 C3 1.368(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.368(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.405(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.437(7) . ?
C7 N1 1.284(6) . ?
C7 H7 0.9500 . ?
C8 N1 1.479(6) . ?
C8 C9 1.527(6) . ?
C8 C10 1.529(7) . ?
C8 H8 1.0000 . ?
C9 O2 1.427(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O3 1.427(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 N2 1.343(6) . ?
C11 C12 1.380(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.371(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.371(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(7) . ?
C14 H14 0.9500 . ?
C15 N2 1.343(6) . ?
C15 C16 1.494(6) 2 ?
C16 O4 1.401(5) . ?
C16 C15 1.494(6) 2 ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 O6 1.253(7) . ?
C17 O5 1.262(6) . ?
C17 C18 1.512(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
Dy1 O5 2.285(3) . ?
Dy1 O5 2.285(3) 2 ?
Dy1 O4 2.339(3) . ?
Dy1 O4 2.339(3) 2 ?
Dy1 O2 2.351(3) . ?
Dy1 O2 2.351(3) 2 ?
Dy1 N2 2.574(4) . ?
Dy1 N2 2.574(4) 2 ?
Dy1 Mn1 3.3932(7) 2 ?
Dy1 Mn1 3.3932(7) . ?
Mn1 O1 1.879(3) 2 ?
Mn1 O4 1.894(3) . ?
Mn1 O2 1.896(3) 2 ?
Mn1 N1 1.970(4) 2 ?
Mn1 N3 2.292(4) . ?
Mn1 O3 2.310(3) 6 ?
N1 Mn1 1.970(4) 2 ?
N3 N4 1.184(5) . ?
N4 N3 1.184(5) 2 ?
O1 Mn1 1.880(3) 2 ?
O2 Mn1 1.896(3) 2 ?
O3 Mn1 2.310(3) 6_556 ?
O3 H3A 0.8500 . ?
O7 H7A 0.8502 . ?
O7 H7B 0.8501 . ?

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
O1 C1 C2 119.1(4) . . ?
O1 C1 C6 123.6(4) . . ?
C2 C1 C6 117.4(4) . . ?
C3 C2 C1 121.3(5) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C2 C3 C4 121.5(5) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 118.8(5) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 C6 121.6(5) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 119.4(5) . . ?
C5 C6 C7 117.9(4) . . ?
C1 C6 C7 122.6(4) . . ?
N1 C7 C6 125.1(4) . . ?
N1 C7 H7 117.5 . . ?
C6 C7 H7 117.5 . . ?
N1 C8 C9 104.4(4) . . ?
N1 C8 C10 112.2(4) . . ?
C9 C8 C10 109.8(4) . . ?
N1 C8 H8 110.1 . . ?
C9 C8 H8 110.1 . . ?
C10 C8 H8 110.1 . . ?
O2 C9 C8 108.3(4) . . ?
O2 C9 H9A 110.0 . . ?
C8 C9 H9A 110.0 . . ?
O2 C9 H9B 110.0 . . ?
C8 C9 H9B 110.0 . . ?
H9A C9 H9B 108.4 . . ?
O3 C10 C8 113.8(4) . . ?
O3 C10 H10A 108.8 . . ?
C8 C10 H10A 108.8 . . ?
O3 C10 H10B 108.8 . . ?
C8 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N2 C11 C12 122.8(5) . . ?
N2 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
C13 C12 C11 119.4(5) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 118.5(5) . . ?
C12 C13 H13 120.8 . . ?
C14 C13 H13 120.8 . . ?
C13 C14 C15 119.7(5) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
N2 C15 C14 122.1(4) . . ?
N2 C15 C16 116.8(4) . 2 ?
C14 C15 C16 121.1(5) . 2 ?
O4 C16 C15 111.3(4) . 2 ?
O4 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 2 . ?
O4 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 2 . ?
H16A C16 H16B 108.0 . . ?
O6 C17 O5 123.3(5) . . ?
O6 C17 C18 117.1(6) . . ?
O5 C17 C18 119.6(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O5 Dy1 O5 87.06(19) . 2 ?
O5 Dy1 O4 84.72(12) . . ?
O5 Dy1 O4 143.05(12) 2 . ?
O5 Dy1 O4 143.05(12) . 2 ?
O5 Dy1 O4 84.72(12) 2 2 ?
O4 Dy1 O4 121.63(15) . 2 ?
O5 Dy1 O2 151.12(12) . . ?
O5 Dy1 O2 90.45(12) 2 . ?
O4 Dy1 O2 80.10(11) . . ?
O4 Dy1 O2 65.02(10) 2 . ?
O5 Dy1 O2 90.45(12) . 2 ?
O5 Dy1 O2 151.12(12) 2 2 ?
O4 Dy1 O2 65.01(10) . 2 ?
O4 Dy1 O2 80.10(11) 2 2 ?
O2 Dy1 O2 104.92(15) . 2 ?
O5 Dy1 N2 78.59(13) . . ?
O5 Dy1 N2 77.90(12) 2 . ?
O4 Dy1 N2 134.84(11) . . ?
O4 Dy1 N2 64.47(11) 2 . ?
O2 Dy1 N2 128.90(11) . . ?
O2 Dy1 N2 73.41(11) 2 . ?
O5 Dy1 N2 77.89(12) . 2 ?
O5 Dy1 N2 78.59(13) 2 2 ?
O4 Dy1 N2 64.47(11) . 2 ?
O4 Dy1 N2 134.84(11) 2 2 ?
O2 Dy1 N2 73.41(11) . 2 ?
O2 Dy1 N2 128.90(11) 2 2 ?
N2 Dy1 N2 147.35(17) . 2 ?
O5 Dy1 Mn1 173.47(10) . 2 ?
O5 Dy1 Mn1 87.53(9) 2 2 ?
O4 Dy1 Mn1 101.81(8) . 2 ?
O4 Dy1 Mn1 32.44(7) 2 2 ?
O2 Dy1 Mn1 32.58(7) . 2 ?
O2 Dy1 Mn1 92.51(8) 2 2 ?
N2 Dy1 Mn1 96.69(9) . 2 ?
N2 Dy1 Mn1 104.60(8) 2 2 ?
O5 Dy1 Mn1 87.53(9) . . ?
O5 Dy1 Mn1 173.47(10) 2 . ?
O4 Dy1 Mn1 32.44(7) . . ?
O4 Dy1 Mn1 101.81(8) 2 . ?
O2 Dy1 Mn1 92.51(8) . . ?
O2 Dy1 Mn1 32.58(7) 2 . ?
N2 Dy1 Mn1 104.60(8) . . ?
N2 Dy1 Mn1 96.69(9) 2 . ?
Mn1 Dy1 Mn1 98.08(3) 2 . ?
O1 Mn1 O4 101.02(13) 2 . ?
O1 Mn1 O2 175.48(13) 2 2 ?
O4 Mn1 O2 83.35(13) . 2 ?
O1 Mn1 N1 92.25(15) 2 2 ?
O4 Mn1 N1 165.68(15) . 2 ?
O2 Mn1 N1 83.52(14) 2 2 ?
O1 Mn1 N3 87.60(16) 2 . ?
O4 Mn1 N3 94.20(15) . . ?
O2 Mn1 N3 90.93(16) 2 . ?
N1 Mn1 N3 91.71(16) 2 . ?
O1 Mn1 O3 89.22(13) 2 6 ?
O4 Mn1 O3 86.70(13) . 6 ?
O2 Mn1 O3 92.22(13) 2 6 ?
N1 Mn1 O3 88.12(14) 2 6 ?
N3 Mn1 O3 176.80(15) . 6 ?
O1 Mn1 Dy1 142.46(10) 2 . ?
O4 Mn1 Dy1 41.48(10) . . ?
O2 Mn1 Dy1 41.87(9) 2 . ?
N1 Mn1 Dy1 125.23(11) 2 . ?
N3 Mn1 Dy1 92.88(12) . . ?
O3 Mn1 Dy1 89.82(8) 6 . ?
C7 N1 C8 121.1(4) . . ?
C7 N1 Mn1 126.0(3) . 2 ?
C8 N1 Mn1 112.7(3) . 2 ?
C15 N2 C11 117.6(4) . . ?
C15 N2 Dy1 118.3(3) . . ?
C11 N2 Dy1 123.4(3) . . ?
N4 N3 Mn1 125.0(4) . . ?
N3 N4 N3 179.7(7) . 2 ?
C1 O1 Mn1 126.9(3) . 2 ?
C9 O2 Mn1 112.6(3) . 2 ?
C9 O2 Dy1 139.3(3) . . ?
Mn1 O2 Dy1 105.55(13) 2 . ?
C10 O3 Mn1 124.0(3) . 6_556 ?
C10 O3 H3A 109.5 . . ?
Mn1 O3 H3A 118.8 6_556 . ?
C16 O4 Mn1 124.4(3) . . ?
C16 O4 Dy1 127.3(3) . . ?
Mn1 O4 Dy1 106.08(13) . . ?
C17 O5 Dy1 136.7(3) . . ?
H7A O7 H7B 107.2 . . ?

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 C2 C3 -178.2(4) . . . . ?
C6 C1 C2 C3 0.7(7) . . . . ?
C1 C2 C3 C4 1.4(8) . . . . ?
C2 C3 C4 C5 -1.8(8) . . . . ?
C3 C4 C5 C6 -0.1(8) . . . . ?
C4 C5 C6 C1 2.2(7) . . . . ?
C4 C5 C6 C7 -174.2(5) . . . . ?
O1 C1 C6 C5 176.4(4) . . . . ?
C2 C1 C6 C5 -2.5(7) . . . . ?
O1 C1 C6 C7 -7.4(7) . . . . ?
C2 C1 C6 C7 173.7(4) . . . . ?
C5 C6 C7 N1 172.6(5) . . . . ?
C1 C6 C7 N1 -3.7(8) . . . . ?
N1 C8 C9 O2 45.1(5) . . . . ?
C10 C8 C9 O2 -75.4(5) . . . . ?
N1 C8 C10 O3 52.2(5) . . . . ?
C9 C8 C10 O3 167.8(4) . . . . ?
N2 C11 C12 C13 0.0(8) . . . . ?
C11 C12 C13 C14 -0.4(8) . . . . ?
C12 C13 C14 C15 0.5(8) . . . . ?
C13 C14 C15 N2 -0.2(8) . . . . ?
C13 C14 C15 C16 -178.2(5) . . . 2 ?
C6 C7 N1 C8 -176.6(4) . . . . ?
C6 C7 N1 Mn1 -1.0(7) . . . 2 ?
C9 C8 N1 C7 145.7(4) . . . . ?
C10 C8 N1 C7 -95.4(5) . . . . ?
C9 C8 N1 Mn1 -30.4(4) . . . 2 ?
C10 C8 N1 Mn1 88.4(4) . . . 2 ?
C14 C15 N2 C11 -0.2(7) . . . . ?
C16 C15 N2 C11 177.9(4) 2 . . . ?
C14 C15 N2 Dy1 -170.5(4) . . . . ?
C16 C15 N2 Dy1 7.6(6) 2 . . . ?
C12 C11 N2 C15 0.3(7) . . . . ?
C12 C11 N2 Dy1 170.1(4) . . . . ?
C2 C1 O1 Mn1 -158.5(3) . . . 2 ?
C6 C1 O1 Mn1 22.7(6) . . . 2 ?
C8 C9 O2 Mn1 -41.6(4) . . . 2 ?
C8 C9 O2 Dy1 160.0(3) . . . . ?
C8 C10 O3 Mn1 -165.3(3) . . . 6_556 ?
C15 C16 O4 Mn1 176.7(3) 2 . . . ?
C15 C16 O4 Dy1 15.8(6) 2 . . . ?
O1 Mn1 O4 C16 17.7(4) 2 . . . ?
O2 Mn1 O4 C16 -163.4(4) 2 . . . ?
N1 Mn1 O4 C16 -139.8(6) 2 . . . ?
N3 Mn1 O4 C16 106.1(4) . . . . ?
O3 Mn1 O4 C16 -70.8(4) 6 . . . ?
Dy1 Mn1 O4 C16 -164.3(4) . . . . ?
O1 Mn1 O4 Dy1 -177.97(13) 2 . . . ?
O2 Mn1 O4 Dy1 0.85(14) 2 . . . ?
N1 Mn1 O4 Dy1 24.5(7) 2 . . . ?
N3 Mn1 O4 Dy1 -89.60(16) . . . . ?
O3 Mn1 O4 Dy1 93.48(14) 6 . . . ?
O6 C17 O5 Dy1 82.8(7) . . . . ?
C18 C17 O5 Dy1 -97.6(7) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H7B O7 0.85 1.41 1.907(19) 112.6 7_665
O7 H7A O6 0.85 2.03 2.673(10) 132.0 1_665
O3 H3A O6 0.85 1.82 2.666(5) 177.4 6_556

_refine_diff_density_max         0.930
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.127

####################################################################### 
# 
# 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 2004671'
loop_
_audit_author_name
_audit_author_address
'Hui-Sheng Wang'
;Wuhan Institute of Technology
China
;
_audit_update_record             
;
2020-05-19 deposited with the CCDC.	2020-08-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C62 H61 Cl2 Dy Mn4 N8 O17'
_chemical_formula_weight         1643.34

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'
Cl Cl 0.1484 0.1585 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+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                   25.1051(11)
_cell_length_b                   26.7821(9)
_cell_length_c                   22.7889(10)
_cell_angle_alpha                90
_cell_angle_beta                 100.298(2)
_cell_angle_gamma                90
_cell_volume                     15075.7(11)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9972
_cell_measurement_theta_min      3.0674
_cell_measurement_theta_max      25.3726

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_F_000             6600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    1.767
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5757
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            75457
_diffrn_reflns_av_unetI/netI     0.0704
_diffrn_reflns_av_R_equivalents  0.0930
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.886
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             13053
_reflns_number_gt                9604
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0008P)²+1163.2860P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13053
_refine_ls_number_parameters     817
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.1341
_refine_ls_R_factor_gt           0.0952
_refine_ls_wR_factor_ref         0.2157
_refine_ls_wR_factor_gt          0.2016
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0865(6) 0.3028(5) 0.4546(6) 0.030(3) Uani 1 1 d . . . . .
C2 C 0.0335(6) 0.3156(6) 0.4640(6) 0.039(4) Uani 1 1 d . . . . .
H2 H 0.0209 0.3489 0.4574 0.047 Uiso 1 1 calc R U . . .
C3 C 0.0007(6) 0.2800(6) 0.4824(7) 0.043(4) Uani 1 1 d . . . . .
H3 H -0.0350 0.2885 0.4875 0.051 Uiso 1 1 calc R U . . .
C4 C 0.0198(6) 0.2311(6) 0.4938(6) 0.044(4) Uani 1 1 d . . . . .
H4 H -0.0031 0.2066 0.5063 0.053 Uiso 1 1 calc R U . . .
C5 C 0.0710(6) 0.2184(5) 0.4870(6) 0.037(3) Uani 1 1 d . . . . .
H5 H 0.0839 0.1856 0.4970 0.044 Uiso 1 1 calc R U . . .
C6 C 0.1048(5) 0.2529(5) 0.4655(6) 0.025(3) Uani 1 1 d . . . . .
C7 C 0.1549(5) 0.2353(5) 0.4524(5) 0.025(3) Uani 1 1 d . . . . .
H7 H 0.1663 0.2028 0.4662 0.031 Uiso 1 1 calc R U . . .
C8 C 0.2345(5) 0.2366(5) 0.4038(6) 0.031(3) Uani 1 1 d . . . . .
H8 H 0.2565 0.2184 0.4381 0.037 Uiso 1 1 calc R U . . .
C9 C 0.2681(5) 0.2791(5) 0.3840(6) 0.025(3) Uani 1 1 d . . . . .
H9A H 0.2930 0.2928 0.4189 0.030 Uiso 1 1 calc R U . . .
H9B H 0.2901 0.2663 0.3552 0.030 Uiso 1 1 calc R U . . .
C10 C 0.2145(5) 0.2000(5) 0.3532(6) 0.031(3) Uani 1 1 d . . . . .
H10A H 0.1893 0.1756 0.3663 0.037 Uiso 1 1 calc R U . . .
H10B H 0.1946 0.2183 0.3184 0.037 Uiso 1 1 calc R U . . .
C11 C 0.0891(5) 0.2657(5) 0.2914(7) 0.034(3) Uani 1 1 d . . . . .
H11 H 0.0943 0.2380 0.3178 0.041 Uiso 1 1 calc R U . . .
C12 C 0.0597(6) 0.2585(5) 0.2351(7) 0.037(3) Uani 1 1 d . . . . .
H12 H 0.0450 0.2266 0.2231 0.045 Uiso 1 1 calc R U . . .
C13 C 0.0520(6) 0.2982(6) 0.1967(7) 0.048(4) Uani 1 1 d . . . . .
H13 H 0.0321 0.2944 0.1574 0.058 Uiso 1 1 calc R U . . .
C14 C 0.0738(5) 0.3442(5) 0.2161(5) 0.0236(11) Uani 1 1 d . . . . .
H14 H 0.0685 0.3725 0.1907 0.028 Uiso 1 1 calc R U . . .
C15 C 0.1036(5) 0.3480(5) 0.2739(5) 0.0236(11) Uani 1 1 d . U . . .
C16 C 0.1324(4) 0.3971(4) 0.2949(5) 0.014(2) Uani 1 1 d . U . . .
C17 C 0.0937(5) 0.4409(4) 0.2992(5) 0.025(3) Uani 1 1 d . . . . .
C18 C 0.0503(5) 0.4369(5) 0.3282(5) 0.0236(11) Uani 1 1 d . . . . .
H18 H 0.0407 0.4053 0.3422 0.028 Uiso 1 1 calc R U . . .
C19 C 0.0209(5) 0.4786(5) 0.3368(5) 0.0236(11) Uani 1 1 d . U . . .
H19 H -0.0088 0.4770 0.3574 0.028 Uiso 1 1 calc R U . . .
C20 C 0.0367(5) 0.5237(6) 0.3138(6) 0.036(3) Uani 1 1 d . U . . .
H20 H 0.0180 0.5536 0.3197 0.043 Uiso 1 1 calc R U . . .
C21 C 0.0784(5) 0.5251(5) 0.2834(6) 0.030(3) Uani 1 1 d . . . . .
H21 H 0.0874 0.5560 0.2672 0.036 Uiso 1 1 calc R U . . .
C22 C 0.1166(5) 0.4943(5) 0.1013(5) 0.027(3) Uani 1 1 d . . . . .
C23 C 0.0816(5) 0.4778(6) 0.0508(6) 0.035(3) Uani 1 1 d . . . . .
H23 H 0.0620 0.4477 0.0525 0.042 Uiso 1 1 calc R U . . .
C24 C 0.0747(6) 0.5044(6) -0.0020(6) 0.040(4) Uani 1 1 d . . . . .
H24 H 0.0492 0.4936 -0.0355 0.048 Uiso 1 1 calc R U . . .
C25 C 0.1054(6) 0.5474(6) -0.0061(6) 0.036(3) Uani 1 1 d . . . . .
H25 H 0.1018 0.5649 -0.0428 0.043 Uiso 1 1 calc R U . . .
C26 C 0.1405(6) 0.5641(5) 0.0423(6) 0.037(3) Uani 1 1 d . . . . .
H26 H 0.1605 0.5938 0.0390 0.044 Uiso 1 1 calc R U . . .
C27 C 0.1479(5) 0.5382(5) 0.0977(6) 0.024(3) Uani 1 1 d . . . . .
C28 C 0.1854(5) 0.5591(5) 0.1467(6) 0.027(3) Uani 1 1 d . . . . .
H28 H 0.2027 0.5896 0.1404 0.033 Uiso 1 1 calc R U . . .
C29 C 0.2372(5) 0.5624(5) 0.2471(5) 0.026(3) Uani 1 1 d . . . . .
H29 H 0.2615 0.5852 0.2293 0.032 Uiso 1 1 calc R U . . .
C30 C 0.2701(5) 0.5192(5) 0.2795(6) 0.025(3) Uani 1 1 d . . . . .
H30A H 0.2976 0.5076 0.2564 0.030 Uiso 1 1 calc R U . . .
H30B H 0.2889 0.5301 0.3194 0.030 Uiso 1 1 calc R U . . .
C31 C 0.2062(6) 0.5921(5) 0.2874(6) 0.035(3) Uani 1 1 d . . . . .
H31A H 0.1793 0.6143 0.2632 0.043 Uiso 1 1 calc R U . . .
H31B H 0.1867 0.5691 0.3103 0.043 Uiso 1 1 calc R U . . .
C32 C 0.3906(4) 0.3942(4) 0.1316(5) 0.021(3) Uani 1 1 d . . . . .
C33 C 0.4298(4) 0.4241(5) 0.1114(5) 0.021(3) Uani 1 1 d . . . . .
H33 H 0.4442 0.4522 0.1344 0.026 Uiso 1 1 calc R U . . .
C34 C 0.4480(6) 0.4136(5) 0.0586(6) 0.034(3) Uani 1 1 d . . . . .
H34 H 0.4755 0.4336 0.0471 0.040 Uiso 1 1 calc R U . . .
C35 C 0.4267(5) 0.3746(5) 0.0230(6) 0.029(3) Uani 1 1 d . . . . .
H35 H 0.4387 0.3683 -0.0135 0.035 Uiso 1 1 calc R U . . .
C36 C 0.3877(5) 0.3447(5) 0.0408(6) 0.030(3) Uani 1 1 d . . . . .
H36 H 0.3729 0.3176 0.0161 0.036 Uiso 1 1 calc R U . . .
C37 C 0.3696(5) 0.3536(5) 0.0949(5) 0.026(3) Uani 1 1 d . . . . .
C38 C 0.3285(5) 0.3199(5) 0.1105(5) 0.027(3) Uani 1 1 d . . . . .
H38 H 0.3154 0.2939 0.0834 0.032 Uiso 1 1 calc R U . . .
C39 C 0.2672(5) 0.2876(4) 0.1720(5) 0.021(3) Uani 1 1 d . . . . .
H39 H 0.2450 0.2749 0.1341 0.026 Uiso 1 1 calc R U . . .
C40 C 0.2321(5) 0.3156(5) 0.2085(5) 0.025(3) Uani 1 1 d . U . . .
H40A H 0.2059 0.3371 0.1823 0.030 Uiso 1 1 calc R U . . .
H40B H 0.2117 0.2918 0.2293 0.030 Uiso 1 1 calc R U . . .
C41 C 0.2980(6) 0.2441(5) 0.2084(7) 0.036(3) Uani 1 1 d . . . . .
H41A H 0.3220 0.2272 0.1845 0.044 Uiso 1 1 calc R U . . .
H41B H 0.3207 0.2572 0.2452 0.044 Uiso 1 1 calc R U . . .
C42 C 0.4229(5) 0.2979(5) 0.2687(6) 0.033(3) Uani 1 1 d . . . . .
H42 H 0.4136 0.2819 0.2311 0.040 Uiso 1 1 calc R U . . .
C43 C 0.4671(5) 0.2807(5) 0.3087(6) 0.027(3) Uani 1 1 d . U . . .
H43 H 0.4882 0.2536 0.2986 0.033 Uiso 1 1 calc R U . . .
C44 C 0.4800(5) 0.3037(5) 0.3636(6) 0.028(3) Uani 1 1 d . U . . .
H44 H 0.5104 0.2931 0.3918 0.034 Uiso 1 1 calc R U . . .
C45 C 0.4477(5) 0.3427(5) 0.3767(6) 0.027(3) Uani 1 1 d . . . . .
H45 H 0.4556 0.3585 0.4145 0.032 Uiso 1 1 calc R U . . .
C46 C 0.4033(5) 0.3588(5) 0.3345(5) 0.0236(11) Uani 1 1 d . . . . .
C47 C 0.3677(5) 0.4013(5) 0.3456(5) 0.0236(11) Uani 1 1 d . U . . .
C48 C 0.4001(5) 0.4482(4) 0.3677(5) 0.018(2) Uani 1 1 d . U . . .
C49 C 0.4338(5) 0.4710(5) 0.3344(5) 0.028(3) Uani 1 1 d . . . . .
H49 H 0.4377 0.4578 0.2967 0.033 Uiso 1 1 calc R U . . .
C50 C 0.4623(5) 0.5137(5) 0.3567(6) 0.032(3) Uani 1 1 d . . . . .
H50 H 0.4859 0.5301 0.3347 0.038 Uiso 1 1 calc R U . . .
C51 C 0.4552(6) 0.5314(5) 0.4117(6) 0.037(3) Uani 1 1 d . . . . .
H51 H 0.4748 0.5597 0.4290 0.045 Uiso 1 1 calc R U . . .
C52 C 0.4199(5) 0.5078(5) 0.4408(7) 0.036(3) Uani 1 1 d . . . . .
H52 H 0.4144 0.5215 0.4777 0.044 Uiso 1 1 calc R U . . .
C53 C 0.3865(5) 0.4085(4) 0.5778(5) 0.021(3) Uani 1 1 d . . . . .
C54 C 0.4257(6) 0.3809(6) 0.6156(7) 0.040(4) Uani 1 1 d . . . . .
H54 H 0.4465 0.3567 0.5993 0.048 Uiso 1 1 calc R U . . .
C55 C 0.4345(7) 0.3886(6) 0.6769(6) 0.046(4) Uani 1 1 d . . . . .
H55 H 0.4608 0.3689 0.7018 0.055 Uiso 1 1 calc R U . . .
C56 C 0.4062(7) 0.4238(6) 0.7023(7) 0.052(4) Uani 1 1 d . . . . .
H56 H 0.4123 0.4279 0.7444 0.063 Uiso 1 1 calc R U . . .
C57 C 0.3692(6) 0.4529(6) 0.6669(6) 0.039(4) Uani 1 1 d . . . . .
H57 H 0.3505 0.4782 0.6843 0.047 Uiso 1 1 calc R U . . .
C58 C 0.3583(5) 0.4459(5) 0.6035(6) 0.027(3) Uani 1 1 d . . . . .
C59 C 0.3190(5) 0.4782(5) 0.5697(6) 0.028(3) Uani 1 1 d . . . . .
H59 H 0.3031 0.5031 0.5908 0.034 Uiso 1 1 calc R U . . .
C60 C 0.2618(6) 0.5120(5) 0.4834(6) 0.029(3) Uani 1 1 d . . . . .
H60 H 0.2366 0.5203 0.5114 0.035 Uiso 1 1 calc R U . . .
C61 C 0.2307(5) 0.4834(5) 0.4296(6) 0.029(3) Uani 1 1 d . . . . .
H61A H 0.2044 0.4602 0.4425 0.034 Uiso 1 1 calc R U . . .
H61B H 0.2108 0.5070 0.4002 0.034 Uiso 1 1 calc R U . . .
C62 C 0.2885(6) 0.5587(5) 0.4673(6) 0.037(3) Uani 1 1 d . . . . .
H62A H 0.3102 0.5736 0.5036 0.044 Uiso 1 1 calc R U . . .
H62B H 0.3134 0.5504 0.4395 0.044 Uiso 1 1 calc R U . . .
Cl1 Cl 0.24861(12) 0.36544(11) 0.48300(13) 0.0265(7) Uani 1 1 d . . . . .
Cl2 Cl 0.25014(13) 0.43617(12) 0.16002(13) 0.0284(7) Uani 1 1 d . . . . .
Dy1 Dy 0.25024(2) 0.39908(2) 0.32436(2) 0.01642(15) Uani 1 1 d . . . . .
Mn1 Mn 0.17278(7) 0.32953(7) 0.39481(8) 0.0193(4) Uani 1 1 d . . . . .
Mn2 Mn 0.17520(7) 0.47157(7) 0.21983(8) 0.0208(4) Uani 1 1 d . . . . .
Mn3 Mn 0.32394(7) 0.37619(7) 0.22006(8) 0.0190(4) Uani 1 1 d . . . . .
Mn4 Mn 0.32562(7) 0.42607(7) 0.45754(8) 0.0187(4) Uani 1 1 d . . . . .
N1 N 0.1866(4) 0.2600(4) 0.4230(4) 0.024(2) Uani 1 1 d . . . . .
N2 N 0.1109(4) 0.3097(4) 0.3111(5) 0.026(2) Uani 1 1 d . . . . .
N3 N 0.1078(4) 0.4836(4) 0.2753(5) 0.025(2) Uani 1 1 d . . . . .
N4 N 0.1968(4) 0.5388(4) 0.1984(5) 0.026(2) Uani 1 1 d . . . . .
N5 N 0.3090(4) 0.3236(4) 0.1589(4) 0.024(2) Uani 1 1 d . . . . .
N6 N 0.3923(4) 0.3367(4) 0.2813(4) 0.023(2) Uani 1 1 d . . . . .
N7 N 0.3918(4) 0.4662(4) 0.4209(4) 0.027(2) Uani 1 1 d . . . . .
N8 N 0.3035(4) 0.4761(4) 0.5126(4) 0.024(2) Uani 1 1 d . . . . .
O1 O 0.1159(4) 0.3386(3) 0.4368(4) 0.033(2) Uani 1 1 d . . . . .
O2 O 0.2325(3) 0.3176(3) 0.3565(4) 0.0222(18) Uani 1 1 d . . . . .
O3 O 0.2583(4) 0.1747(4) 0.3369(5) 0.044(3) Uani 1 1 d . . . . .
H3A H 0.2607 0.1838 0.3017 0.053 Uiso 1 1 d R U . . .
O4 O 0.1640(3) 0.3922(3) 0.3518(3) 0.0188(17) Uani 1 1 d . . . . .
O5 O 0.1665(3) 0.4063(3) 0.2538(3) 0.0174(17) Uani 1 1 d . . . . .
O6 O 0.1212(3) 0.4672(3) 0.1514(4) 0.029(2) Uani 1 1 d . . . . .
O7 O 0.2321(3) 0.4799(3) 0.2848(3) 0.0225(18) Uani 1 1 d . . . . .
O8 O 0.2451(5) 0.6211(4) 0.3275(5) 0.060(3) Uani 1 1 d . . . . .
H8A H 0.2481 0.6098 0.3623 0.090 Uiso 1 1 d R U . . .
O9 O 0.3767(3) 0.4060(3) 0.1832(3) 0.029(2) Uani 1 1 d . . . . .
O10 O 0.2671(3) 0.3451(3) 0.2505(3) 0.0236(19) Uani 1 1 d . . . . .
O11 O 0.2586(5) 0.2089(4) 0.2236(5) 0.051(3) Uani 1 1 d . . . . .
H11A H 0.2600 0.1816 0.2050 0.061 Uiso 1 1 d R U . . .
O12 O 0.3326(3) 0.4160(3) 0.2932(3) 0.0181(17) Uani 1 1 d . . . . .
O13 O 0.3359(3) 0.3850(3) 0.3883(3) 0.0179(17) Uani 1 1 d . . . . .
O14 O 0.3780(4) 0.4002(3) 0.5190(4) 0.031(2) Uani 1 1 d . . . . .
O15 O 0.2697(3) 0.4561(3) 0.4035(3) 0.0228(19) Uani 1 1 d . . . . .
O16 O 0.2496(5) 0.5934(4) 0.4401(5) 0.054(3) Uani 1 1 d . . . . .
H16A H 0.2589 0.6189 0.4618 0.065 Uiso 1 1 d R U . . .
O17 O 0.3363(8) 0.2244(6) 0.9775(9) 0.134(7) Uani 1 1 d . U . . .
H17 H 0.3315 0.2446 0.9482 0.161 Uiso 1 1 d 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
C1 O1 1.318(16) . ?
C1 C2 1.425(19) . ?
C1 C6 1.422(18) . ?
C2 C3 1.37(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.40(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.425(18) . ?
C7 N1 1.308(16) . ?
C7 H7 0.9500 . ?
C8 N1 1.489(16) . ?
C8 C10 1.531(18) . ?
C8 C9 1.532(18) . ?
C8 H8 1.0000 . ?
C9 O2 1.434(14) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O3 1.398(15) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 N2 1.343(16) . ?
C11 C12 1.37(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.37(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(19) . ?
C13 H13 0.9500 . ?
C14 C15 1.397(17) . ?
C14 H14 0.9500 . ?
C15 N2 1.322(16) . ?
C15 C16 1.535(16) . ?
C16 O4 1.401(12) . ?
C16 O5 1.401(13) . ?
C16 C17 1.536(17) . ?
C16 Dy1 2.916(10) . ?
C17 N3 1.343(15) . ?
C17 C18 1.375(18) . ?
C18 C19 1.372(17) . ?
C18 H18 0.9500 . ?
C19 C20 1.401(19) . ?
C19 H19 0.9500 . ?
C20 C21 1.35(2) . ?
C20 H20 0.9500 . ?
C21 N3 1.366(16) . ?
C21 H21 0.9500 . ?
C22 O6 1.340(14) . ?
C22 C23 1.391(18) . ?
C22 C27 1.424(18) . ?
C23 C24 1.383(18) . ?
C23 H23 0.9500 . ?
C24 C25 1.40(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.36(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.424(18) . ?
C26 H26 0.9500 . ?
C27 C28 1.437(18) . ?
C28 N4 1.284(16) . ?
C28 H28 0.9500 . ?
C29 N4 1.501(15) . ?
C29 C30 1.532(17) . ?
C29 C31 1.530(19) . ?
C29 H29 1.0000 . ?
C30 O7 1.443(14) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 O8 1.440(17) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 O9 1.322(14) . ?
C32 C33 1.411(17) . ?
C32 C37 1.415(17) . ?
C33 C34 1.389(17) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(19) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(19) . ?
C35 H35 0.9500 . ?
C36 C37 1.410(17) . ?
C36 H36 0.9500 . ?
C37 C38 1.462(18) . ?
C38 N5 1.287(16) . ?
C38 H38 0.9500 . ?
C39 N5 1.493(15) . ?
C39 C40 1.514(17) . ?
C39 C41 1.555(19) . ?
C39 H39 1.0000 . ?
C40 O10 1.419(14) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 O11 1.453(16) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 N6 1.354(16) . ?
C42 C43 1.384(18) . ?
C42 H42 0.9500 . ?
C43 C44 1.380(18) . ?
C43 H43 0.9500 . ?
C44 C45 1.386(18) . ?
C44 H44 0.9500 . ?
C45 C46 1.404(17) . ?
C45 H45 0.9500 . ?
C46 N6 1.333(15) . ?
C46 C47 1.495(17) . ?
C47 O12 1.407(14) . ?
C47 O13 1.433(14) . ?
C47 C48 1.531(16) . ?
C47 Dy1 2.903(12) . ?
C48 N7 1.356(15) . ?
C48 C49 1.376(17) . ?
C49 C50 1.394(18) . ?
C49 H49 0.9500 . ?
C50 C51 1.382(19) . ?
C50 H50 0.9500 . ?
C51 C52 1.35(2) . ?
C51 H51 0.9500 . ?
C52 N7 1.353(16) . ?
C52 H52 0.9500 . ?
C53 O14 1.337(14) . ?
C53 C54 1.398(19) . ?
C53 C58 1.412(18) . ?
C54 C55 1.39(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.37(2) . ?
C55 H55 0.9500 . ?
C56 C57 1.36(2) . ?
C56 H56 0.9500 . ?
C57 C58 1.434(18) . ?
C57 H57 0.9500 . ?
C58 C59 1.430(18) . ?
C59 N8 1.290(16) . ?
C59 H59 0.9500 . ?
C60 N8 1.488(16) . ?
C60 C62 1.496(19) . ?
C60 C61 1.536(17) . ?
C60 H60 1.0000 . ?
C61 O15 1.432(15) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 O16 1.410(17) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
Cl1 Mn4 2.667(4) . ?
Cl1 Mn1 2.687(3) . ?
Cl2 Mn3 2.642(4) . ?
Cl2 Mn2 2.686(4) . ?
Dy1 O10 2.314(8) . ?
Dy1 O15 2.346(8) . ?
Dy1 O12 2.348(8) . ?
Dy1 O7 2.357(8) . ?
Dy1 O4 2.365(8) . ?
Dy1 O2 2.369(8) . ?
Dy1 O13 2.402(8) . ?
Dy1 O5 2.415(7) . ?
Dy1 Mn1 3.3082(18) . ?
Dy1 Mn3 3.3198(18) . ?
Mn1 O1 1.870(9) . ?
Mn1 O2 1.891(8) . ?
Mn1 O4 1.937(7) . ?
Mn1 N1 1.981(10) . ?
Mn1 N2 2.298(11) . ?
Mn2 O6 1.878(8) . ?
Mn2 O7 1.878(8) . ?
Mn2 O5 1.939(8) . ?
Mn2 N4 1.966(10) . ?
Mn2 N3 2.307(11) . ?
Mn3 O9 1.869(8) . ?
Mn3 O10 1.888(8) . ?
Mn3 O12 1.958(7) . ?
Mn3 N5 1.970(10) . ?
Mn3 N6 2.270(10) . ?
Mn4 O15 1.876(8) . ?
Mn4 O14 1.875(9) . ?
Mn4 O13 1.979(8) . ?
Mn4 N8 1.983(10) . ?
Mn4 N7 2.260(10) . ?
O3 H3A 0.8498 . ?
O8 H8A 0.8401 . ?
O11 H11A 0.8499 . ?
O16 H16A 0.8500 . ?
O17 H17 0.8500 . ?

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
O1 C1 C2 117.5(12) . . ?
O1 C1 C6 123.8(12) . . ?
C2 C1 C6 118.7(12) . . ?
C3 C2 C1 120.4(14) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.0(14) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.6(14) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 121.1(14) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.0(12) . . ?
C5 C6 C7 117.9(12) . . ?
C1 C6 C7 123.0(11) . . ?
N1 C7 C6 125.5(12) . . ?
N1 C7 H7 117.2 . . ?
C6 C7 H7 117.2 . . ?
N1 C8 C10 108.5(10) . . ?
N1 C8 C9 107.0(10) . . ?
C10 C8 C9 112.2(11) . . ?
N1 C8 H8 109.7 . . ?
C10 C8 H8 109.7 . . ?
C9 C8 H8 109.7 . . ?
O2 C9 C8 109.2(9) . . ?
O2 C9 H9A 109.8 . . ?
C8 C9 H9A 109.8 . . ?
O2 C9 H9B 109.8 . . ?
C8 C9 H9B 109.8 . . ?
H9A C9 H9B 108.3 . . ?
O3 C10 C8 110.1(11) . . ?
O3 C10 H10A 109.6 . . ?
C8 C10 H10A 109.6 . . ?
O3 C10 H10B 109.6 . . ?
C8 C10 H10B 109.6 . . ?
H10A C10 H10B 108.2 . . ?
N2 C11 C12 123.6(13) . . ?
N2 C11 H11 118.2 . . ?
C12 C11 H11 118.2 . . ?
C11 C12 C13 118.6(13) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?
C12 C13 C14 118.9(14) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 H13 120.6 . . ?
C13 C14 C15 118.8(13) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N2 C15 C14 122.4(12) . . ?
N2 C15 C16 117.4(10) . . ?
C14 C15 C16 120.1(11) . . ?
O4 C16 O5 108.7(8) . . ?
O4 C16 C15 111.6(9) . . ?
O5 C16 C15 104.7(9) . . ?
O4 C16 C17 105.8(9) . . ?
O5 C16 C17 112.2(9) . . ?
C15 C16 C17 113.9(9) . . ?
O4 C16 Dy1 53.4(5) . . ?
O5 C16 Dy1 55.5(5) . . ?
C15 C16 Dy1 119.3(7) . . ?
C17 C16 Dy1 126.7(7) . . ?
N3 C17 C18 123.4(12) . . ?
N3 C17 C16 114.1(11) . . ?
C18 C17 C16 122.4(10) . . ?
C19 C18 C17 119.9(12) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 116.9(12) . . ?
C18 C19 H19 121.5 . . ?
C20 C19 H19 121.5 . . ?
C21 C20 C19 120.7(12) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
N3 C21 C20 122.3(13) . . ?
N3 C21 H21 118.9 . . ?
C20 C21 H21 118.9 . . ?
O6 C22 C23 118.5(12) . . ?
O6 C22 C27 122.2(11) . . ?
C23 C22 C27 119.3(11) . . ?
C22 C23 C24 121.2(13) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C25 C24 C23 119.9(12) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C26 C25 C24 120.2(12) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 121.6(13) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C22 C27 C28 124.5(11) . . ?
C22 C27 C26 117.8(12) . . ?
C28 C27 C26 117.7(12) . . ?
N4 C28 C27 123.8(12) . . ?
N4 C28 H28 118.1 . . ?
C27 C28 H28 118.1 . . ?
N4 C29 C30 105.8(10) . . ?
N4 C29 C31 108.3(10) . . ?
C30 C29 C31 113.0(11) . . ?
N4 C29 H29 109.9 . . ?
C30 C29 H29 109.9 . . ?
C31 C29 H29 109.9 . . ?
O7 C30 C29 106.5(9) . . ?
O7 C30 H30A 110.4 . . ?
C29 C30 H30A 110.4 . . ?
O7 C30 H30B 110.4 . . ?
C29 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
O8 C31 C29 107.5(12) . . ?
O8 C31 H31A 110.2 . . ?
C29 C31 H31A 110.2 . . ?
O8 C31 H31B 110.2 . . ?
C29 C31 H31B 110.2 . . ?
H31A C31 H31B 108.5 . . ?
O9 C32 C33 117.7(11) . . ?
O9 C32 C37 125.4(11) . . ?
C33 C32 C37 116.8(11) . . ?
C34 C33 C32 121.5(12) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C35 C34 C33 121.0(13) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C36 119.3(12) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C35 C36 C37 120.9(12) . . ?
C35 C36 H36 119.5 . . ?
C37 C36 H36 119.5 . . ?
C36 C37 C32 120.3(12) . . ?
C36 C37 C38 117.4(12) . . ?
C32 C37 C38 122.3(11) . . ?
N5 C38 C37 123.6(12) . . ?
N5 C38 H38 118.2 . . ?
C37 C38 H38 118.2 . . ?
N5 C39 C40 106.8(10) . . ?
N5 C39 C41 106.9(10) . . ?
C40 C39 C41 111.1(10) . . ?
N5 C39 H39 110.6 . . ?
C40 C39 H39 110.6 . . ?
C41 C39 H39 110.6 . . ?
O10 C40 C39 107.2(10) . . ?
O10 C40 H40A 110.3 . . ?
C39 C40 H40A 110.3 . . ?
O10 C40 H40B 110.3 . . ?
C39 C40 H40B 110.3 . . ?
H40A C40 H40B 108.5 . . ?
O11 C41 C39 108.5(11) . . ?
O11 C41 H41A 110.0 . . ?
C39 C41 H41A 110.0 . . ?
O11 C41 H41B 110.0 . . ?
C39 C41 H41B 110.0 . . ?
H41A C41 H41B 108.4 . . ?
N6 C42 C43 122.3(12) . . ?
N6 C42 H42 118.8 . . ?
C43 C42 H42 118.8 . . ?
C44 C43 C42 118.5(12) . . ?
C44 C43 H43 120.7 . . ?
C42 C43 H43 120.7 . . ?
C45 C44 C43 118.7(12) . . ?
C45 C44 H44 120.6 . . ?
C43 C44 H44 120.6 . . ?
C44 C45 C46 120.6(12) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
N6 C46 C45 119.7(11) . . ?
N6 C46 C47 117.3(11) . . ?
C45 C46 C47 123.0(11) . . ?
O12 C47 O13 108.7(9) . . ?
O12 C47 C46 111.8(10) . . ?
O13 C47 C46 107.6(10) . . ?
O12 C47 C48 105.4(9) . . ?
O13 C47 C48 110.8(9) . . ?
C46 C47 C48 112.5(10) . . ?
O12 C47 Dy1 53.2(5) . . ?
O13 C47 Dy1 55.5(5) . . ?
C46 C47 Dy1 125.1(8) . . ?
C48 C47 Dy1 122.4(8) . . ?
N7 C48 C49 122.9(11) . . ?
N7 C48 C47 115.4(10) . . ?
C49 C48 C47 121.7(11) . . ?
C48 C49 C50 119.2(12) . . ?
C48 C49 H49 120.4 . . ?
C50 C49 H49 120.4 . . ?
C51 C50 C49 118.1(13) . . ?
C51 C50 H50 120.9 . . ?
C49 C50 H50 120.9 . . ?
C52 C51 C50 119.0(13) . . ?
C52 C51 H51 120.5 . . ?
C50 C51 H51 120.5 . . ?
C51 C52 N7 124.6(13) . . ?
C51 C52 H52 117.7 . . ?
N7 C52 H52 117.7 . . ?
O14 C53 C54 119.8(12) . . ?
O14 C53 C58 122.2(11) . . ?
C54 C53 C58 118.0(11) . . ?
C55 C54 C53 120.6(14) . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C56 C55 C54 121.7(14) . . ?
C56 C55 H55 119.2 . . ?
C54 C55 H55 119.2 . . ?
C57 C56 C55 119.5(13) . . ?
C57 C56 H56 120.2 . . ?
C55 C56 H56 120.2 . . ?
C56 C57 C58 120.7(14) . . ?
C56 C57 H57 119.6 . . ?
C58 C57 H57 119.6 . . ?
C53 C58 C59 123.7(11) . . ?
C53 C58 C57 119.4(12) . . ?
C59 C58 C57 116.9(12) . . ?
N8 C59 C58 124.8(12) . . ?
N8 C59 H59 117.6 . . ?
C58 C59 H59 117.6 . . ?
N8 C60 C62 109.8(11) . . ?
N8 C60 C61 104.6(9) . . ?
C62 C60 C61 113.9(11) . . ?
N8 C60 H60 109.5 . . ?
C62 C60 H60 109.5 . . ?
C61 C60 H60 109.5 . . ?
O15 C61 C60 107.5(10) . . ?
O15 C61 H61A 110.2 . . ?
C60 C61 H61A 110.2 . . ?
O15 C61 H61B 110.2 . . ?
C60 C61 H61B 110.2 . . ?
H61A C61 H61B 108.5 . . ?
O16 C62 C60 110.7(12) . . ?
O16 C62 H62A 109.5 . . ?
C60 C62 H62A 109.5 . . ?
O16 C62 H62B 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 108.1 . . ?
Mn4 Cl1 Mn1 119.96(12) . . ?
Mn3 Cl2 Mn2 116.22(12) . . ?
O10 Dy1 O15 157.7(3) . . ?
O10 Dy1 O12 67.4(3) . . ?
O15 Dy1 O12 91.9(3) . . ?
O10 Dy1 O7 110.1(3) . . ?
O15 Dy1 O7 72.3(3) . . ?
O12 Dy1 O7 80.1(3) . . ?
O10 Dy1 O4 116.0(3) . . ?
O15 Dy1 O4 85.5(3) . . ?
O12 Dy1 O4 172.9(3) . . ?
O7 Dy1 O4 92.8(3) . . ?
O10 Dy1 O2 73.7(3) . . ?
O15 Dy1 O2 112.7(3) . . ?
O12 Dy1 O2 119.7(3) . . ?
O7 Dy1 O2 158.4(3) . . ?
O4 Dy1 O2 67.4(3) . . ?
O10 Dy1 O13 94.7(3) . . ?
O15 Dy1 O13 66.2(3) . . ?
O12 Dy1 O13 58.1(2) . . ?
O7 Dy1 O13 117.9(3) . . ?
O4 Dy1 O13 126.2(2) . . ?
O2 Dy1 O13 82.2(3) . . ?
O10 Dy1 O5 79.4(3) . . ?
O15 Dy1 O5 119.7(3) . . ?
O12 Dy1 O5 119.5(2) . . ?
O7 Dy1 O5 65.5(3) . . ?
O4 Dy1 O5 56.9(2) . . ?
O2 Dy1 O5 95.2(3) . . ?
O13 Dy1 O5 174.1(3) . . ?
O10 Dy1 C47 79.7(3) . . ?
O15 Dy1 C47 78.1(3) . . ?
O12 Dy1 C47 28.7(3) . . ?
O7 Dy1 C47 99.6(3) . . ?
O4 Dy1 C47 155.3(3) . . ?
O2 Dy1 C47 102.1(3) . . ?
O13 Dy1 C47 29.5(3) . . ?
O5 Dy1 C47 147.8(3) . . ?
O10 Dy1 C16 97.5(3) . . ?
O15 Dy1 C16 104.6(3) . . ?
O12 Dy1 C16 147.8(3) . . ?
O7 Dy1 C16 79.0(3) . . ?
O4 Dy1 C16 28.4(3) . . ?
O2 Dy1 C16 79.4(3) . . ?
O13 Dy1 C16 154.0(3) . . ?
O5 Dy1 C16 28.5(3) . . ?
C47 Dy1 C16 176.3(3) . . ?
O10 Dy1 Mn1 101.6(2) . . ?
O15 Dy1 Mn1 93.0(2) . . ?
O12 Dy1 Mn1 151.83(19) . . ?
O7 Dy1 Mn1 127.7(2) . . ?
O4 Dy1 Mn1 35.21(18) . . ?
O2 Dy1 Mn1 34.10(19) . . ?
O13 Dy1 Mn1 99.07(18) . . ?
O5 Dy1 Mn1 81.45(18) . . ?
C47 Dy1 Mn1 126.8(2) . . ?
C16 Dy1 Mn1 56.0(2) . . ?
O10 Dy1 Mn3 33.5(2) . . ?
O15 Dy1 Mn3 127.2(2) . . ?
O12 Dy1 Mn3 35.44(17) . . ?
O7 Dy1 Mn3 89.5(2) . . ?
O4 Dy1 Mn3 145.96(18) . . ?
O2 Dy1 Mn3 102.2(2) . . ?
O13 Dy1 Mn3 81.47(18) . . ?
O5 Dy1 Mn3 93.92(18) . . ?
C47 Dy1 Mn3 56.2(2) . . ?
C16 Dy1 Mn3 120.3(2) . . ?
Mn1 Dy1 Mn3 134.00(5) . . ?
O1 Mn1 O2 176.2(4) . . ?
O1 Mn1 O4 96.8(4) . . ?
O2 Mn1 O4 86.6(3) . . ?
O1 Mn1 N1 93.5(4) . . ?
O2 Mn1 N1 83.3(4) . . ?
O4 Mn1 N1 167.7(4) . . ?
O1 Mn1 N2 89.4(4) . . ?
O2 Mn1 N2 93.0(4) . . ?
O4 Mn1 N2 77.4(3) . . ?
N1 Mn1 N2 96.1(4) . . ?
O1 Mn1 Cl1 94.3(3) . . ?
O2 Mn1 Cl1 83.8(3) . . ?
O4 Mn1 Cl1 94.0(2) . . ?
N1 Mn1 Cl1 91.9(3) . . ?
N2 Mn1 Cl1 170.9(3) . . ?
O1 Mn1 Dy1 138.0(3) . . ?
O2 Mn1 Dy1 44.6(2) . . ?
O4 Mn1 Dy1 44.7(2) . . ?
N1 Mn1 Dy1 127.1(3) . . ?
N2 Mn1 Dy1 95.5(3) . . ?
Cl1 Mn1 Dy1 76.24(8) . . ?
O6 Mn2 O7 175.2(4) . . ?
O6 Mn2 O5 99.2(4) . . ?
O7 Mn2 O5 85.1(3) . . ?
O6 Mn2 N4 92.4(4) . . ?
O7 Mn2 N4 83.3(4) . . ?
O5 Mn2 N4 168.4(4) . . ?
O6 Mn2 N3 88.4(4) . . ?
O7 Mn2 N3 94.6(4) . . ?
O5 Mn2 N3 76.2(3) . . ?
N4 Mn2 N3 105.7(4) . . ?
O6 Mn2 Cl2 91.3(3) . . ?
O7 Mn2 Cl2 86.5(3) . . ?
O5 Mn2 Cl2 91.3(2) . . ?
N4 Mn2 Cl2 87.0(3) . . ?
N3 Mn2 Cl2 167.3(3) . . ?
O6 Mn2 Dy1 141.2(3) . . ?
O7 Mn2 Dy1 42.4(2) . . ?
O5 Mn2 Dy1 44.6(2) . . ?
N4 Mn2 Dy1 123.9(3) . . ?
N3 Mn2 Dy1 93.7(3) . . ?
Cl2 Mn2 Dy1 78.57(8) . . ?
O9 Mn3 O10 174.9(3) . . ?
O9 Mn3 O12 99.8(3) . . ?
O10 Mn3 O12 84.5(3) . . ?
O9 Mn3 N5 92.7(4) . . ?
O10 Mn3 N5 83.3(4) . . ?
O12 Mn3 N5 165.9(4) . . ?
O9 Mn3 N6 87.5(4) . . ?
O10 Mn3 N6 96.2(4) . . ?
O12 Mn3 N6 76.9(3) . . ?
N5 Mn3 N6 97.4(4) . . ?
O9 Mn3 Cl2 89.7(3) . . ?
O10 Mn3 Cl2 87.2(3) . . ?
O12 Mn3 Cl2 94.1(2) . . ?
N5 Mn3 Cl2 92.4(3) . . ?
N6 Mn3 Cl2 169.9(3) . . ?
O9 Mn3 Dy1 140.7(3) . . ?
O10 Mn3 Dy1 42.6(2) . . ?
O12 Mn3 Dy1 44.1(2) . . ?
N5 Mn3 Dy1 125.4(3) . . ?
N6 Mn3 Dy1 95.9(3) . . ?
Cl2 Mn3 Dy1 80.19(8) . . ?
O15 Mn4 O14 172.9(4) . . ?
O15 Mn4 O13 84.5(3) . . ?
O14 Mn4 O13 102.5(4) . . ?
O15 Mn4 N8 82.2(4) . . ?
O14 Mn4 N8 90.9(4) . . ?
O13 Mn4 N8 166.5(4) . . ?
O15 Mn4 N7 93.9(4) . . ?
O14 Mn4 N7 89.3(4) . . ?
O13 Mn4 N7 76.1(3) . . ?
N8 Mn4 N7 102.7(4) . . ?
O15 Mn4 Cl1 85.2(3) . . ?
O14 Mn4 Cl1 93.0(3) . . ?
O13 Mn4 Cl1 92.2(2) . . ?
N8 Mn4 Cl1 88.8(3) . . ?
N7 Mn4 Cl1 168.3(3) . . ?
O15 Mn4 Dy1 42.5(3) . . ?
O14 Mn4 Dy1 143.4(3) . . ?
O13 Mn4 Dy1 44.9(2) . . ?
N8 Mn4 Dy1 122.8(3) . . ?
N7 Mn4 Dy1 95.8(3) . . ?
Cl1 Mn4 Dy1 75.64(8) . . ?
C7 N1 C8 122.4(11) . . ?
C7 N1 Mn1 123.7(9) . . ?
C8 N1 Mn1 113.8(8) . . ?
C15 N2 C11 117.8(12) . . ?
C15 N2 Mn1 110.4(8) . . ?
C11 N2 Mn1 130.9(9) . . ?
C17 N3 C21 116.7(11) . . ?
C17 N3 Mn2 112.1(8) . . ?
C21 N3 Mn2 131.0(9) . . ?
C28 N4 C29 120.7(10) . . ?
C28 N4 Mn2 126.1(9) . . ?
C29 N4 Mn2 112.5(8) . . ?
C38 N5 C39 120.6(10) . . ?
C38 N5 Mn3 127.4(9) . . ?
C39 N5 Mn3 111.8(7) . . ?
C42 N6 C46 120.1(11) . . ?
C42 N6 Mn3 128.5(8) . . ?
C46 N6 Mn3 111.3(8) . . ?
C48 N7 C52 116.0(11) . . ?
C48 N7 Mn4 113.7(8) . . ?
C52 N7 Mn4 129.9(9) . . ?
C59 N8 C60 118.9(10) . . ?
C59 N8 Mn4 126.9(9) . . ?
C60 N8 Mn4 114.0(7) . . ?
C1 O1 Mn1 125.8(8) . . ?
C9 O2 Mn1 113.9(7) . . ?
C9 O2 Dy1 131.3(7) . . ?
Mn1 O2 Dy1 101.3(3) . . ?
C10 O3 H3A 107.6 . . ?
C16 O4 Mn1 122.9(7) . . ?
C16 O4 Dy1 98.2(6) . . ?
Mn1 O4 Dy1 100.1(3) . . ?
C16 O5 Mn2 123.5(6) . . ?
C16 O5 Dy1 96.0(6) . . ?
Mn2 O5 Dy1 101.1(3) . . ?
C22 O6 Mn2 127.8(8) . . ?
C30 O7 Mn2 116.2(7) . . ?
C30 O7 Dy1 128.1(7) . . ?
Mn2 O7 Dy1 105.1(3) . . ?
C31 O8 H8A 109.8 . . ?
C32 O9 Mn3 128.2(8) . . ?
C40 O10 Mn3 114.5(7) . . ?
C40 O10 Dy1 131.9(7) . . ?
Mn3 O10 Dy1 103.9(3) . . ?
C41 O11 H11A 110.2 . . ?
C47 O12 Mn3 121.8(7) . . ?
C47 O12 Dy1 98.1(6) . . ?
Mn3 O12 Dy1 100.5(3) . . ?
C47 O13 Mn4 122.7(7) . . ?
C47 O13 Dy1 95.0(6) . . ?
Mn4 O13 Dy1 99.5(3) . . ?
C53 O14 Mn4 130.6(8) . . ?
C61 O15 Mn4 115.6(7) . . ?
C61 O15 Dy1 126.0(7) . . ?
Mn4 O15 Dy1 104.7(4) . . ?
C62 O16 H16A 100.2 . . ?

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 C2 C3 179.9(13) . . . . ?
C6 C1 C2 C3 -1(2) . . . . ?
C1 C2 C3 C4 2(2) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C3 C4 C5 C6 -3(2) . . . . ?
C4 C5 C6 C1 4(2) . . . . ?
C4 C5 C6 C7 -172.2(12) . . . . ?
O1 C1 C6 C5 177.1(12) . . . . ?
C2 C1 C6 C5 -2.1(19) . . . . ?
O1 C1 C6 C7 -7(2) . . . . ?
C2 C1 C6 C7 174.2(12) . . . . ?
C5 C6 C7 N1 167.8(12) . . . . ?
C1 C6 C7 N1 -8.5(19) . . . . ?
N1 C8 C9 O2 -34.5(14) . . . . ?
C10 C8 C9 O2 84.3(12) . . . . ?
N1 C8 C10 O3 -175.7(10) . . . . ?
C9 C8 C10 O3 66.3(14) . . . . ?
N2 C11 C12 C13 0(2) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C12 C13 C14 C15 1(2) . . . . ?
C13 C14 C15 N2 -1(2) . . . . ?
C13 C14 C15 C16 174.6(12) . . . . ?
N2 C15 C16 O4 1.7(15) . . . . ?
C14 C15 C16 O4 -174.5(10) . . . . ?
N2 C15 C16 O5 119.1(11) . . . . ?
C14 C15 C16 O5 -57.1(13) . . . . ?
N2 C15 C16 C17 -118.0(12) . . . . ?
C14 C15 C16 C17 65.8(14) . . . . ?
N2 C15 C16 Dy1 60.8(13) . . . . ?
C14 C15 C16 Dy1 -115.4(11) . . . . ?
O4 C16 C17 N3 103.0(11) . . . . ?
O5 C16 C17 N3 -15.5(13) . . . . ?
C15 C16 C17 N3 -134.1(10) . . . . ?
Dy1 C16 C17 N3 47.2(13) . . . . ?
O4 C16 C17 C18 -73.6(13) . . . . ?
O5 C16 C17 C18 168.0(10) . . . . ?
C15 C16 C17 C18 49.4(15) . . . . ?
Dy1 C16 C17 C18 -129.4(10) . . . . ?
N3 C17 C18 C19 -3.9(18) . . . . ?
C16 C17 C18 C19 172.3(11) . . . . ?
C17 C18 C19 C20 1.3(17) . . . . ?
C18 C19 C20 C21 1.5(18) . . . . ?
C19 C20 C21 N3 -2.1(19) . . . . ?
O6 C22 C23 C24 179.4(13) . . . . ?
C27 C22 C23 C24 -3(2) . . . . ?
C22 C23 C24 C25 3(2) . . . . ?
C23 C24 C25 C26 -3(2) . . . . ?
C24 C25 C26 C27 1(2) . . . . ?
O6 C22 C27 C28 -3(2) . . . . ?
C23 C22 C27 C28 179.9(13) . . . . ?
O6 C22 C27 C26 179.3(12) . . . . ?
C23 C22 C27 C26 1.9(19) . . . . ?
C25 C26 C27 C22 -1(2) . . . . ?
C25 C26 C27 C28 -179.2(13) . . . . ?
C22 C27 C28 N4 4(2) . . . . ?
C26 C27 C28 N4 -178.1(12) . . . . ?
N4 C29 C30 O7 -41.3(13) . . . . ?
C31 C29 C30 O7 77.0(12) . . . . ?
N4 C29 C31 O8 -170.4(10) . . . . ?
C30 C29 C31 O8 72.6(13) . . . . ?
O9 C32 C33 C34 178.0(11) . . . . ?
C37 C32 C33 C34 -1.6(17) . . . . ?
C32 C33 C34 C35 2.6(19) . . . . ?
C33 C34 C35 C36 -2(2) . . . . ?
C34 C35 C36 C37 0(2) . . . . ?
C35 C36 C37 C32 1.0(19) . . . . ?
C35 C36 C37 C38 -179.6(12) . . . . ?
O9 C32 C37 C36 -179.8(11) . . . . ?
C33 C32 C37 C36 -0.2(17) . . . . ?
O9 C32 C37 C38 0.8(19) . . . . ?
C33 C32 C37 C38 -179.6(11) . . . . ?
C36 C37 C38 N5 179.1(12) . . . . ?
C32 C37 C38 N5 -1.6(19) . . . . ?
N5 C39 C40 O10 -41.6(12) . . . . ?
C41 C39 C40 O10 74.6(12) . . . . ?
N5 C39 C41 O11 178.2(10) . . . . ?
C40 C39 C41 O11 62.1(13) . . . . ?
N6 C42 C43 C44 1(2) . . . . ?
C42 C43 C44 C45 0.8(19) . . . . ?
C43 C44 C45 C46 -1.0(19) . . . . ?
C44 C45 C46 N6 -0.3(19) . . . . ?
C44 C45 C46 C47 -178.6(12) . . . . ?
N6 C46 C47 O12 -9.1(15) . . . . ?
C45 C46 C47 O12 169.2(11) . . . . ?
N6 C46 C47 O13 110.2(12) . . . . ?
C45 C46 C47 O13 -71.5(14) . . . . ?
N6 C46 C47 C48 -127.5(11) . . . . ?
C45 C46 C47 C48 50.8(16) . . . . ?
N6 C46 C47 Dy1 50.4(14) . . . . ?
C45 C46 C47 Dy1 -131.3(11) . . . . ?
O12 C47 C48 N7 115.3(11) . . . . ?
O13 C47 C48 N7 -2.1(14) . . . . ?
C46 C47 C48 N7 -122.5(11) . . . . ?
Dy1 C47 C48 N7 59.5(12) . . . . ?
O12 C47 C48 C49 -62.7(14) . . . . ?
O13 C47 C48 C49 179.9(10) . . . . ?
C46 C47 C48 C49 59.4(15) . . . . ?
Dy1 C47 C48 C49 -118.5(11) . . . . ?
N7 C48 C49 C50 2.0(18) . . . . ?
C47 C48 C49 C50 179.9(11) . . . . ?
C48 C49 C50 C51 -0.1(19) . . . . ?
C49 C50 C51 C52 -2(2) . . . . ?
C50 C51 C52 N7 3(2) . . . . ?
O14 C53 C54 C55 -179.1(13) . . . . ?
C58 C53 C54 C55 3(2) . . . . ?
C53 C54 C55 C56 -1(2) . . . . ?
C54 C55 C56 C57 -1(3) . . . . ?
C55 C56 C57 C58 2(3) . . . . ?
O14 C53 C58 C59 -0.6(19) . . . . ?
C54 C53 C58 C59 177.1(12) . . . . ?
O14 C53 C58 C57 -180.0(12) . . . . ?
C54 C53 C58 C57 -2.3(19) . . . . ?
C56 C57 C58 C53 0(2) . . . . ?
C56 C57 C58 C59 -179.8(15) . . . . ?
C53 C58 C59 N8 2(2) . . . . ?
C57 C58 C59 N8 -178.3(13) . . . . ?
N8 C60 C61 O15 -40.9(13) . . . . ?
C62 C60 C61 O15 78.9(13) . . . . ?
N8 C60 C62 O16 -179.3(10) . . . . ?
C61 C60 C62 O16 63.8(15) . . . . ?
C6 C7 N1 C8 -171.4(11) . . . . ?
C6 C7 N1 Mn1 3.9(16) . . . . ?
C10 C8 N1 C7 71.3(15) . . . . ?
C9 C8 N1 C7 -167.5(11) . . . . ?
C10 C8 N1 Mn1 -104.4(10) . . . . ?
C9 C8 N1 Mn1 16.8(12) . . . . ?
C14 C15 N2 C11 0.9(18) . . . . ?
C16 C15 N2 C11 -175.2(11) . . . . ?
C14 C15 N2 Mn1 171.1(10) . . . . ?
C16 C15 N2 Mn1 -5.0(13) . . . . ?
C12 C11 N2 C15 0(2) . . . . ?
C12 C11 N2 Mn1 -168.1(10) . . . . ?
C18 C17 N3 C21 3.3(18) . . . . ?
C16 C17 N3 C21 -173.2(10) . . . . ?
C18 C17 N3 Mn2 -172.0(9) . . . . ?
C16 C17 N3 Mn2 11.5(12) . . . . ?
C20 C21 N3 C17 -0.3(18) . . . . ?
C20 C21 N3 Mn2 174.0(9) . . . . ?
C27 C28 N4 C29 178.9(11) . . . . ?
C27 C28 N4 Mn2 9.5(18) . . . . ?
C30 C29 N4 C28 -140.2(12) . . . . ?
C31 C29 N4 C28 98.3(14) . . . . ?
C30 C29 N4 Mn2 30.6(12) . . . . ?
C31 C29 N4 Mn2 -90.9(10) . . . . ?
C37 C38 N5 C39 -179.7(11) . . . . ?
C37 C38 N5 Mn3 5.0(19) . . . . ?
C40 C39 N5 C38 -149.3(11) . . . . ?
C41 C39 N5 C38 91.7(13) . . . . ?
C40 C39 N5 Mn3 26.6(11) . . . . ?
C41 C39 N5 Mn3 -92.4(10) . . . . ?
C43 C42 N6 C46 -2(2) . . . . ?
C43 C42 N6 Mn3 173.1(10) . . . . ?
C45 C46 N6 C42 1.9(18) . . . . ?
C47 C46 N6 C42 -179.7(12) . . . . ?
C45 C46 N6 Mn3 -174.1(9) . . . . ?
C47 C46 N6 Mn3 4.2(13) . . . . ?
C49 C48 N7 C52 -1.5(18) . . . . ?
C47 C48 N7 C52 -179.5(11) . . . . ?
C49 C48 N7 Mn4 172.0(9) . . . . ?
C47 C48 N7 Mn4 -6.0(13) . . . . ?
C51 C52 N7 C48 -1(2) . . . . ?
C51 C52 N7 Mn4 -173.2(11) . . . . ?
C58 C59 N8 C60 179.4(12) . . . . ?
C58 C59 N8 Mn4 4.2(19) . . . . ?
C62 C60 N8 C59 88.7(14) . . . . ?
C61 C60 N8 C59 -148.7(11) . . . . ?
C62 C60 N8 Mn4 -95.5(10) . . . . ?
C61 C60 N8 Mn4 27.1(12) . . . . ?
C2 C1 O1 Mn1 -155.6(10) . . . . ?
C6 C1 O1 Mn1 25.2(18) . . . . ?
O4 Mn1 O1 C1 150.0(10) . . . . ?
N1 Mn1 O1 C1 -23.3(11) . . . . ?
N2 Mn1 O1 C1 72.8(11) . . . . ?
Cl1 Mn1 O1 C1 -115.5(10) . . . . ?
Dy1 Mn1 O1 C1 170.4(8) . . . . ?
C8 C9 O2 Mn1 39.3(12) . . . . ?
C8 C9 O2 Dy1 171.7(7) . . . . ?
O4 Mn1 O2 C9 163.2(8) . . . . ?
N1 Mn1 O2 C9 -23.9(8) . . . . ?
N2 Mn1 O2 C9 -119.6(8) . . . . ?
Cl1 Mn1 O2 C9 68.8(7) . . . . ?
Dy1 Mn1 O2 C9 145.6(9) . . . . ?
O4 Mn1 O2 Dy1 17.6(3) . . . . ?
N1 Mn1 O2 Dy1 -169.4(4) . . . . ?
N2 Mn1 O2 Dy1 94.8(4) . . . . ?
Cl1 Mn1 O2 Dy1 -76.7(3) . . . . ?
O5 C16 O4 Mn1 -111.4(8) . . . . ?
C15 C16 O4 Mn1 3.6(12) . . . . ?
C17 C16 O4 Mn1 128.0(8) . . . . ?
Dy1 C16 O4 Mn1 -107.7(7) . . . . ?
O5 C16 O4 Dy1 -3.7(8) . . . . ?
C15 C16 O4 Dy1 111.2(8) . . . . ?
C17 C16 O4 Dy1 -124.3(7) . . . . ?
O4 C16 O5 Mn2 -103.9(8) . . . . ?
C15 C16 O5 Mn2 136.7(7) . . . . ?
C17 C16 O5 Mn2 12.7(12) . . . . ?
Dy1 C16 O5 Mn2 -107.5(6) . . . . ?
O4 C16 O5 Dy1 3.6(8) . . . . ?
C15 C16 O5 Dy1 -115.7(7) . . . . ?
C17 C16 O5 Dy1 120.2(8) . . . . ?
C23 C22 O6 Mn2 165.0(10) . . . . ?
C27 C22 O6 Mn2 -12.4(18) . . . . ?
O5 Mn2 O6 C22 -159.8(10) . . . . ?
N4 Mn2 O6 C22 18.8(11) . . . . ?
N3 Mn2 O6 C22 124.4(11) . . . . ?
Cl2 Mn2 O6 C22 -68.2(10) . . . . ?
Dy1 Mn2 O6 C22 -141.6(9) . . . . ?
C29 C30 O7 Mn2 37.2(12) . . . . ?
C29 C30 O7 Dy1 176.3(7) . . . . ?
O5 Mn2 O7 C30 162.6(8) . . . . ?
N4 Mn2 O7 C30 -16.5(8) . . . . ?
N3 Mn2 O7 C30 -121.7(8) . . . . ?
Cl2 Mn2 O7 C30 70.9(8) . . . . ?
Dy1 Mn2 O7 C30 147.7(10) . . . . ?
O5 Mn2 O7 Dy1 14.8(3) . . . . ?
N4 Mn2 O7 Dy1 -164.2(4) . . . . ?
N3 Mn2 O7 Dy1 90.5(4) . . . . ?
Cl2 Mn2 O7 Dy1 -76.8(3) . . . . ?
C33 C32 O9 Mn3 176.5(8) . . . . ?
C37 C32 O9 Mn3 -3.9(17) . . . . ?
O12 Mn3 O9 C32 178.9(10) . . . . ?
N5 Mn3 O9 C32 5.3(10) . . . . ?
N6 Mn3 O9 C32 102.6(10) . . . . ?
Cl2 Mn3 O9 C32 -87.1(10) . . . . ?
Dy1 Mn3 O9 C32 -161.1(8) . . . . ?
C39 C40 O10 Mn3 40.6(11) . . . . ?
C39 C40 O10 Dy1 -179.5(7) . . . . ?
O12 Mn3 O10 C40 166.3(8) . . . . ?
N5 Mn3 O10 C40 -20.8(8) . . . . ?
N6 Mn3 O10 C40 -117.6(8) . . . . ?
Cl2 Mn3 O10 C40 71.9(8) . . . . ?
Dy1 Mn3 O10 C40 150.4(9) . . . . ?
O12 Mn3 O10 Dy1 15.8(3) . . . . ?
N5 Mn3 O10 Dy1 -171.2(4) . . . . ?
N6 Mn3 O10 Dy1 92.0(4) . . . . ?
Cl2 Mn3 O10 Dy1 -78.5(3) . . . . ?
O13 C47 O12 Mn3 -108.2(9) . . . . ?
C46 C47 O12 Mn3 10.5(13) . . . . ?
C48 C47 O12 Mn3 133.0(8) . . . . ?
Dy1 C47 O12 Mn3 -107.8(7) . . . . ?
O13 C47 O12 Dy1 -0.4(9) . . . . ?
C46 C47 O12 Dy1 118.3(9) . . . . ?
C48 C47 O12 Dy1 -119.2(8) . . . . ?
O12 C47 O13 Mn4 -104.3(9) . . . . ?
C46 C47 O13 Mn4 134.4(8) . . . . ?
C48 C47 O13 Mn4 11.1(12) . . . . ?
Dy1 C47 O13 Mn4 -104.7(6) . . . . ?
O12 C47 O13 Dy1 0.4(9) . . . . ?
C46 C47 O13 Dy1 -120.9(8) . . . . ?
C48 C47 O13 Dy1 115.8(8) . . . . ?
C54 C53 O14 Mn4 174.1(9) . . . . ?
C58 C53 O14 Mn4 -8.3(18) . . . . ?
O13 Mn4 O14 C53 -170.8(10) . . . . ?
N8 Mn4 O14 C53 10.9(11) . . . . ?
N7 Mn4 O14 C53 113.6(11) . . . . ?
Cl1 Mn4 O14 C53 -77.9(11) . . . . ?
Dy1 Mn4 O14 C53 -147.6(8) . . . . ?
C60 C61 O15 Mn4 40.4(12) . . . . ?
C60 C61 O15 Dy1 174.6(7) . . . . ?
O13 Mn4 O15 C61 161.9(9) . . . . ?
N8 Mn4 O15 C61 -20.1(8) . . . . ?
N7 Mn4 O15 C61 -122.4(8) . . . . ?
Cl1 Mn4 O15 C61 69.3(8) . . . . ?
Dy1 Mn4 O15 C61 143.2(10) . . . . ?
O13 Mn4 O15 Dy1 18.8(3) . . . . ?
N8 Mn4 O15 Dy1 -163.3(4) . . . . ?
N7 Mn4 O15 Dy1 94.4(4) . . . . ?
Cl1 Mn4 O15 Dy1 -73.9(3) . . . . ?

_refine_diff_density_max         3.449
_refine_diff_density_min         -3.550
_refine_diff_density_rms         0.229

_vrf_PLAT420_complex_1           
;
PROBLEM:  D-H Without Acceptor   
RESPONSE: the acceptors of O16-H16a and O17-H17 are 
the O atoms of the solvent water molecules in the crystal 
lattice.We used the program SQUEEZE,a part of 
the PLATON package of crystallographic software, 
to remove their contributions to the overall 
intensity data.
;
_vrf_PLAT910__complex_1          
;
PROBLEM:  Missing # of FCF Reflection(s) Below Theta(Min)          16 Note   
RESPONSE: Theta min = 3.0674 deg. The theta value of the missing reflections 
are less than 3.0674 deg. and therefore reflections were excluded.                                           
;

