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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1878509'
loop_
_audit_author_name
_audit_author_address
MXF-2
;Ningxia University
China
;
_audit_update_record             
;
2018-11-12 deposited with the CCDC.	2019-07-31 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         'C56 H56 Dy2 F4 N8 O6, 2I'
_chemical_formula_sum            'C56 H56 Dy2 F4 I2 N8 O6'
_chemical_formula_weight         1591.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.6015(5)
_cell_length_b                   16.2765(8)
_cell_length_c                   15.7772(8)
_cell_angle_alpha                90
_cell_angle_beta                 108.453(2)
_cell_angle_gamma                90
_cell_volume                     2826.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6202
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      25.33

_exptl_crystal_description       plate
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_F_000             1540
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    3.786
_shelx_estimated_absorpt_T_min   0.335
_shelx_estimated_absorpt_T_max   0.639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5840
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15915
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.035
_diffrn_reflns_theta_max         25.387
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5161
_reflns_number_gt                3934
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0301P)²+1.3554P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5161
_refine_ls_number_parameters     358
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0640
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_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 0.7083(5) 0.1852(3) 0.2628(4) 0.0424(15) Uani 1 1 d . . . . .
H1A H 0.7066 0.1676 0.2036 0.051 Uiso 1 1 calc R U . . .
H1B H 0.6631 0.2362 0.2562 0.051 Uiso 1 1 calc R U . . .
C2 C 0.6450(5) 0.1205(3) 0.3020(4) 0.0418(15) Uani 1 1 d . . . . .
H2A H 0.6418 0.1396 0.3594 0.050 Uiso 1 1 calc R U . . .
H2B H 0.5621 0.1141 0.2629 0.050 Uiso 1 1 calc R U . . .
C3 C 0.9071(5) 0.2329(4) 0.2610(4) 0.0438(15) Uani 1 1 d . . . . .
H3A H 0.8843 0.2896 0.2453 0.053 Uiso 1 1 calc R U . . .
H3B H 0.8872 0.2013 0.2062 0.053 Uiso 1 1 calc R U . . .
C4 C 1.0408(5) 0.2284(3) 0.3077(4) 0.0384(14) Uani 1 1 d . . . . .
C5 C 1.1207(7) 0.2891(4) 0.3004(5) 0.063(2) Uani 1 1 d . . . . .
H5 H 1.0915 0.3377 0.2702 0.075 Uiso 1 1 calc R U . . .
C6 C 1.2438(7) 0.2770(5) 0.3381(5) 0.073(2) Uani 1 1 d . . . . .
H6 H 1.2983 0.3173 0.3336 0.088 Uiso 1 1 calc R U . . .
C7 C 1.2852(6) 0.2053(4) 0.3822(5) 0.0547(18) Uani 1 1 d . . . . .
H7 H 1.3681 0.1953 0.4066 0.066 Uiso 1 1 calc R U . . .
C8 C 1.2020(5) 0.1486(4) 0.3895(4) 0.0383(14) Uani 1 1 d . . . . .
H8 H 1.2306 0.1003 0.4204 0.046 Uiso 1 1 calc R U . . .
C9 C 0.8444(5) 0.2674(3) 0.3853(4) 0.0389(14) Uani 1 1 d . . . . .
H9A H 0.9278 0.2711 0.4241 0.047 Uiso 1 1 calc R U . . .
H9B H 0.8240 0.3193 0.3540 0.047 Uiso 1 1 calc R U . . .
C10 C 0.6008(5) 0.3017(4) 0.4906(5) 0.0495(17) Uani 1 1 d . . . . .
C11 C 0.6739(5) 0.3136(4) 0.4398(4) 0.0462(16) Uani 1 1 d . . . . .
H11 H 0.6640 0.3599 0.4035 0.055 Uiso 1 1 calc R U . . .
C12 C 0.7644(5) 0.2561(3) 0.4420(4) 0.0347(13) Uani 1 1 d . . . . .
C13 C 0.7761(4) 0.1860(3) 0.4958(3) 0.0297(12) Uani 1 1 d . . . . .
C14 C 0.6988(5) 0.1761(4) 0.5460(4) 0.0380(14) Uani 1 1 d . . . . .
H14 H 0.7057 0.1297 0.5817 0.046 Uiso 1 1 calc R U . . .
C15 C 0.6103(5) 0.2351(4) 0.5434(4) 0.0468(16) Uani 1 1 d . . . . .
H15 H 0.5587 0.2286 0.5776 0.056 Uiso 1 1 calc R U . . .
C16 C 0.6782(5) -0.0032(4) 0.2267(4) 0.0441(15) Uani 1 1 d . . . . .
H16A H 0.5974 0.0131 0.1900 0.053 Uiso 1 1 calc R U . . .
H16B H 0.6766 -0.0619 0.2367 0.053 Uiso 1 1 calc R U . . .
C17 C 0.7644(5) 0.0135(3) 0.1762(4) 0.0396(14) Uani 1 1 d . . . . .
C18 C 0.7314(6) -0.0006(4) 0.0848(4) 0.0524(17) Uani 1 1 d . . . . .
H18 H 0.6525 -0.0169 0.0536 0.063 Uiso 1 1 calc R U . . .
C19 C 0.8145(7) 0.0095(5) 0.0408(4) 0.066(2) Uani 1 1 d . . . . .
H19 H 0.7934 -0.0002 -0.0203 0.080 Uiso 1 1 calc R U . . .
C20 C 0.9303(7) 0.0344(5) 0.0888(4) 0.063(2) Uani 1 1 d . . . . .
H20 H 0.9891 0.0417 0.0608 0.076 Uiso 1 1 calc R U . . .
C21 C 0.9570(6) 0.0479(4) 0.1785(4) 0.0484(16) Uani 1 1 d . . . . .
H21 H 1.0353 0.0650 0.2101 0.058 Uiso 1 1 calc R U . . .
C22 C 0.6592(4) -0.0103(3) 0.3763(4) 0.0338(13) Uani 1 1 d . . . . .
H22A H 0.6839 0.0156 0.4347 0.041 Uiso 1 1 calc R U . . .
H22B H 0.5711 -0.0106 0.3540 0.041 Uiso 1 1 calc R U . . .
C23 C 0.6659(5) -0.2403(4) 0.3584(5) 0.0536(18) Uani 1 1 d . . . . .
C24 C 0.6237(5) -0.1614(4) 0.3525(4) 0.0434(15) Uani 1 1 d . . . . .
H24 H 0.5413 -0.1506 0.3269 0.052 Uiso 1 1 calc R U . . .
C25 C 0.7050(4) -0.0974(3) 0.3853(3) 0.0319(13) Uani 1 1 d . . . . .
C26 C 0.8278(4) -0.1146(3) 0.4255(3) 0.0262(11) Uani 1 1 d . . . . .
C27 C 0.8673(5) -0.1954(3) 0.4255(4) 0.0327(13) Uani 1 1 d . . . . .
H27 H 0.9500 -0.2067 0.4480 0.039 Uiso 1 1 calc R U . . .
C28 C 0.7865(5) -0.2591(4) 0.3928(4) 0.0484(16) Uani 1 1 d . . . . .
H28 H 0.8135 -0.3130 0.3941 0.058 Uiso 1 1 calc R U . . .
Dy1 Dy 0.93360(2) 0.06501(2) 0.39395(2) 0.02494(8) Uani 1 1 d . . . . .
F1 F 0.5136(3) 0.3594(2) 0.4882(3) 0.0793(13) Uani 1 1 d . . . . .
F2 F 0.5844(4) -0.3019(2) 0.3279(3) 0.0936(16) Uani 1 1 d . . . . .
I1 I 0.71041(4) 0.02008(3) 0.75290(3) 0.04973(13) Uani 1 1 d . . . . .
N1 N 0.8367(4) 0.2009(3) 0.3177(3) 0.0337(11) Uani 1 1 d . . . . .
N2 N 0.7068(4) 0.0392(3) 0.3140(3) 0.0297(10) Uani 1 1 d . . . . .
N3 N 1.0810(4) 0.1587(3) 0.3546(3) 0.0322(10) Uani 1 1 d . . . . .
N4 N 0.8782(4) 0.0382(3) 0.2237(3) 0.0383(12) Uani 1 1 d . . . . .
O1 O 0.8567(3) 0.1277(2) 0.4921(2) 0.0296(8) Uani 1 1 d . . . . .
O2 O 0.9073(3) -0.05380(19) 0.4652(2) 0.0249(8) Uani 1 1 d . . . . .
O3 O 1.0682(4) -0.0348(2) 0.3644(3) 0.0386(9) Uani 1 1 d D . . . .
H3C H 1.106(5) -0.067(3) 0.406(3) 0.046 Uiso 1 1 d D U . . .
H3D H 1.113(4) -0.031(4) 0.332(3) 0.046 Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.490(6) . ?
C1 C2 1.522(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 N2 1.489(7) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 N1 1.484(7) . ?
C3 C4 1.494(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 N3 1.353(7) . ?
C4 C5 1.385(8) . ?
C5 C6 1.376(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.366(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.366(8) . ?
C7 H7 0.9300 . ?
C8 N3 1.346(7) . ?
C8 H8 0.9300 . ?
C9 C12 1.489(8) . ?
C9 N1 1.502(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C15 1.350(9) . ?
C10 C11 1.354(9) . ?
C10 F1 1.372(7) . ?
C11 C12 1.398(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.403(7) . ?
C13 O1 1.346(6) . ?
C13 C14 1.381(8) . ?
C14 C15 1.397(8) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N2 1.480(7) . ?
C16 C17 1.487(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N4 1.357(7) . ?
C17 C18 1.388(8) . ?
C18 C19 1.365(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.378(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.368(8) . ?
C20 H20 0.9300 . ?
C21 N4 1.335(8) . ?
C21 H21 0.9300 . ?
C22 C25 1.506(7) . ?
C22 N2 1.505(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 F2 1.357(6) . ?
C23 C28 1.366(8) . ?
C23 C24 1.367(8) . ?
C24 C25 1.389(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.392(7) . ?
C26 O2 1.363(5) . ?
C26 C27 1.392(7) . ?
C27 C28 1.384(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
Dy1 O1 2.261(3) . ?
Dy1 O2 2.305(3) . ?
Dy1 O3 2.399(4) . ?
Dy1 O2 2.404(3) 3_756 ?
Dy1 N3 2.512(4) . ?
Dy1 N2 2.567(4) . ?
Dy1 N4 2.593(4) . ?
Dy1 N1 2.597(4) . ?
Dy1 Dy1 3.8453(5) 3_756 ?
O2 Dy1 2.404(3) 3_756 ?
O3 H3C 0.85(2) . ?
O3 H3D 0.84(2) . ?

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
N1 C1 C2 113.9(4) . . ?
N1 C1 H1A 108.8 . . ?
C2 C1 H1A 108.8 . . ?
N1 C1 H1B 108.8 . . ?
C2 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
N2 C2 C1 113.0(5) . . ?
N2 C2 H2A 109.0 . . ?
C1 C2 H2A 109.0 . . ?
N2 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
N1 C3 C4 111.7(4) . . ?
N1 C3 H3A 109.3 . . ?
C4 C3 H3A 109.3 . . ?
N1 C3 H3B 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
N3 C4 C5 121.3(5) . . ?
N3 C4 C3 115.8(5) . . ?
C5 C4 C3 122.8(5) . . ?
C6 C5 C4 119.5(6) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C7 C6 C5 119.5(6) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C8 C7 C6 118.4(6) . . ?
C8 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
N3 C8 C7 123.8(6) . . ?
N3 C8 H8 118.1 . . ?
C7 C8 H8 118.1 . . ?
C12 C9 N1 115.4(5) . . ?
C12 C9 H9A 108.4 . . ?
N1 C9 H9A 108.4 . . ?
C12 C9 H9B 108.4 . . ?
N1 C9 H9B 108.4 . . ?
H9A C9 H9B 107.5 . . ?
C15 C10 C11 122.5(6) . . ?
C15 C10 F1 118.9(6) . . ?
C11 C10 F1 118.7(6) . . ?
C10 C11 C12 119.7(6) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 119.2(6) . . ?
C11 C12 C9 120.5(5) . . ?
C13 C12 C9 120.2(5) . . ?
O1 C13 C14 121.9(5) . . ?
O1 C13 C12 118.9(5) . . ?
C14 C13 C12 119.1(5) . . ?
C13 C14 C15 120.5(6) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C10 C15 C14 119.1(6) . . ?
C10 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
N2 C16 C17 115.0(5) . . ?
N2 C16 H16A 108.5 . . ?
C17 C16 H16A 108.5 . . ?
N2 C16 H16B 108.5 . . ?
C17 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
N4 C17 C18 121.6(6) . . ?
N4 C17 C16 117.3(5) . . ?
C18 C17 C16 121.0(6) . . ?
C19 C18 C17 120.1(6) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 118.6(6) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
C21 C20 C19 118.5(7) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
N4 C21 C20 124.4(6) . . ?
N4 C21 H21 117.8 . . ?
C20 C21 H21 117.8 . . ?
C25 C22 N2 111.9(4) . . ?
C25 C22 H22A 109.2 . . ?
N2 C22 H22A 109.2 . . ?
C25 C22 H22B 109.2 . . ?
N2 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
F2 C23 C28 119.1(6) . . ?
F2 C23 C24 118.4(5) . . ?
C28 C23 C24 122.5(5) . . ?
C23 C24 C25 119.5(5) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C26 119.6(5) . . ?
C24 C25 C22 119.5(5) . . ?
C26 C25 C22 120.8(4) . . ?
O2 C26 C25 120.6(4) . . ?
O2 C26 C27 120.7(4) . . ?
C25 C26 C27 118.6(4) . . ?
C28 C27 C26 121.6(5) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C23 C28 C27 117.9(5) . . ?
C23 C28 H28 121.1 . . ?
C27 C28 H28 121.1 . . ?
O1 Dy1 O2 84.42(12) . . ?
O1 Dy1 O3 149.44(12) . . ?
O2 Dy1 O3 73.85(13) . . ?
O1 Dy1 O2 75.82(11) . 3_756 ?
O2 Dy1 O2 70.54(12) . 3_756 ?
O3 Dy1 O2 76.80(12) . 3_756 ?
O1 Dy1 N3 110.00(13) . . ?
O2 Dy1 N3 146.69(13) . . ?
O3 Dy1 N3 80.04(14) . . ?
O2 Dy1 N3 83.74(12) 3_756 . ?
O1 Dy1 N2 81.12(13) . . ?
O2 Dy1 N2 80.17(12) . . ?
O3 Dy1 N2 115.00(14) . . ?
O2 Dy1 N2 144.05(13) 3_756 . ?
N3 Dy1 N2 130.53(14) . . ?
O1 Dy1 N4 139.76(13) . . ?
O2 Dy1 N4 109.67(13) . . ?
O3 Dy1 N4 69.40(14) . . ?
O2 Dy1 N4 144.15(13) 3_756 . ?
N3 Dy1 N4 79.11(14) . . ?
N2 Dy1 N4 65.39(15) . . ?
O1 Dy1 N1 74.09(13) . . ?
O2 Dy1 N1 146.67(13) . . ?
O3 Dy1 N1 134.38(14) . . ?
O2 Dy1 N1 125.84(12) 3_756 . ?
N3 Dy1 N1 66.23(14) . . ?
N2 Dy1 N1 71.69(13) . . ?
N4 Dy1 N1 74.61(14) . . ?
O1 Dy1 Dy1 77.79(8) . 3_756 ?
O2 Dy1 Dy1 36.12(7) . 3_756 ?
O3 Dy1 Dy1 71.97(9) . 3_756 ?
O2 Dy1 Dy1 34.42(7) 3_756 3_756 ?
N3 Dy1 Dy1 115.65(10) . 3_756 ?
N2 Dy1 Dy1 113.81(10) . 3_756 ?
N4 Dy1 Dy1 135.12(10) . 3_756 ?
N1 Dy1 Dy1 150.11(10) . 3_756 ?
C3 N1 C1 110.4(4) . . ?
C3 N1 C9 104.8(4) . . ?
C1 N1 C9 111.1(4) . . ?
C3 N1 Dy1 109.8(3) . . ?
C1 N1 Dy1 109.2(3) . . ?
C9 N1 Dy1 111.4(3) . . ?
C16 N2 C2 109.8(4) . . ?
C16 N2 C22 109.8(4) . . ?
C2 N2 C22 107.3(4) . . ?
C16 N2 Dy1 115.3(3) . . ?
C2 N2 Dy1 107.1(3) . . ?
C22 N2 Dy1 107.3(3) . . ?
C8 N3 C4 117.4(5) . . ?
C8 N3 Dy1 121.9(3) . . ?
C4 N3 Dy1 120.0(3) . . ?
C21 N4 C17 116.8(5) . . ?
C21 N4 Dy1 123.1(4) . . ?
C17 N4 Dy1 120.1(4) . . ?
C13 O1 Dy1 141.1(3) . . ?
C26 O2 Dy1 124.1(3) . . ?
C26 O2 Dy1 125.4(3) . 3_756 ?
Dy1 O2 Dy1 109.46(12) . 3_756 ?
Dy1 O3 H3C 119(4) . . ?
Dy1 O3 H3D 130(4) . . ?
H3C O3 H3D 104(6) . . ?

_refine_diff_density_max         0.986
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.122

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

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1878510'
loop_
_audit_author_name
_audit_author_address
MXF-3
;Ningxia University
China
;
_audit_update_record             
;
2018-11-12 deposited with the CCDC.	2019-07-31 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         'C56 H56 Cl4 Dy2 N8 O6, 2I, 0.48(H2 O)'
_chemical_formula_sum            'C56 H56.97 Cl4 Dy2 I2 N8 O6.48'
_chemical_formula_weight         1666.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.8909(8)
_cell_length_b                   17.0320(9)
_cell_length_c                   15.4647(10)
_cell_angle_alpha                90
_cell_angle_beta                 107.506(2)
_cell_angle_gamma                90
_cell_volume                     2986.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4411
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      25.27

_exptl_crystal_description       plate
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_F_000             1614
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    3.751
_shelx_estimated_absorpt_T_min   0.552
_shelx_estimated_absorpt_T_max   0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5537
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17392
_diffrn_reflns_av_unetI/netI     0.0809
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.010
_diffrn_reflns_theta_max         25.431
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             5483
_reflns_number_gt                3679
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0396P)²+1.8199P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5483
_refine_ls_number_parameters     363
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_ref         0.0998
_refine_ls_wR_factor_gt          0.0846
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_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 0.2800(8) 0.1766(5) 0.2421(6) 0.050(2) Uani 1 1 d . . . . .
H1A H 0.2767 0.1633 0.3023 0.060 Uiso 1 1 calc R U . . .
H1B H 0.3277 0.2235 0.2474 0.060 Uiso 1 1 calc R U . . .
C2 C 0.3391(7) 0.1102(5) 0.2075(6) 0.046(2) Uani 1 1 d . . . . .
H2A H 0.3493 0.1259 0.1500 0.055 Uiso 1 1 calc R U . . .
H2B H 0.4170 0.1022 0.2498 0.055 Uiso 1 1 calc R U . . .
C3 C 0.0870(8) 0.2281(5) 0.2373(6) 0.048(2) Uani 1 1 d . . . . .
H3A H 0.1121 0.2817 0.2537 0.058 Uiso 1 1 calc R U . . .
H3B H 0.0994 0.1981 0.2927 0.058 Uiso 1 1 calc R U . . .
C4 C -0.0415(8) 0.2273(5) 0.1847(6) 0.046(2) Uani 1 1 d . . . . .
C5 C -0.1129(10) 0.2909(6) 0.1840(7) 0.066(3) Uani 1 1 d . . . . .
H5 H -0.0819 0.3373 0.2132 0.079 Uiso 1 1 calc R U . . .
C6 C -0.2297(11) 0.2842(7) 0.1398(8) 0.088(4) Uani 1 1 d . . . . .
H6 H -0.2793 0.3269 0.1372 0.106 Uiso 1 1 calc R U . . .
C7 C -0.2755(9) 0.2143(7) 0.0983(7) 0.074(3) Uani 1 1 d . . . . .
H7 H -0.3560 0.2084 0.0701 0.089 Uiso 1 1 calc R U . . .
C8 C -0.1985(8) 0.1539(5) 0.1002(5) 0.048(2) Uani 1 1 d . . . . .
H8 H -0.2283 0.1070 0.0717 0.058 Uiso 1 1 calc R U . . .
C9 C 0.1605(8) 0.2554(4) 0.1142(6) 0.045(2) Uani 1 1 d . . . . .
H9A H 0.0807 0.2621 0.0743 0.054 Uiso 1 1 calc R U . . .
H9B H 0.1840 0.3048 0.1459 0.054 Uiso 1 1 calc R U . . .
C10 C 0.3925(7) 0.2852(5) -0.0017(6) 0.044(2) Uani 1 1 d . . . . .
C11 C 0.3227(7) 0.2969(5) 0.0528(5) 0.041(2) Uani 1 1 d . . . . .
H11 H 0.3309 0.3425 0.0874 0.049 Uiso 1 1 calc R U . . .
C12 C 0.2390(7) 0.2407(4) 0.0569(5) 0.038(2) Uani 1 1 d . . . . .
C13 C 0.2281(7) 0.1717(4) 0.0064(5) 0.0322(18) Uani 1 1 d . . . . .
C14 C 0.3033(7) 0.1611(5) -0.0464(5) 0.040(2) Uani 1 1 d . . . . .
H14 H 0.2981 0.1153 -0.0801 0.048 Uiso 1 1 calc R U . . .
C15 C 0.3857(7) 0.2178(5) -0.0495(6) 0.049(2) Uani 1 1 d . . . . .
H15 H 0.4362 0.2095 -0.0844 0.058 Uiso 1 1 calc R U . . .
C16 C 0.2918(8) -0.0036(5) 0.2834(5) 0.048(2) Uani 1 1 d . . . . .
H16A H 0.3708 0.0081 0.3220 0.058 Uiso 1 1 calc R U . . .
H16B H 0.2861 -0.0600 0.2747 0.058 Uiso 1 1 calc R U . . .
C17 C 0.2058(8) 0.0212(5) 0.3309(6) 0.045(2) Uani 1 1 d . . . . .
C18 C 0.2362(10) 0.0161(6) 0.4246(6) 0.061(3) Uani 1 1 d . . . . .
H18 H 0.3118 0.0010 0.4584 0.073 Uiso 1 1 calc R U . . .
C19 C 0.1522(10) 0.0339(6) 0.4667(6) 0.070(3) Uani 1 1 d . . . . .
H19 H 0.1703 0.0314 0.5295 0.084 Uiso 1 1 calc R U . . .
C20 C 0.0415(10) 0.0553(6) 0.4143(6) 0.064(3) Uani 1 1 d . . . . .
H20 H -0.0165 0.0678 0.4412 0.077 Uiso 1 1 calc R U . . .
C21 C 0.0177(8) 0.0579(5) 0.3234(6) 0.052(2) Uani 1 1 d . . . . .
H21 H -0.0585 0.0706 0.2885 0.063 Uiso 1 1 calc R U . . .
C22 C 0.3255(7) -0.0167(5) 0.1363(5) 0.039(2) Uani 1 1 d . . . . .
H22A H 0.3092 0.0069 0.0767 0.047 Uiso 1 1 calc R U . . .
H22B H 0.4105 -0.0191 0.1629 0.047 Uiso 1 1 calc R U . . .
C23 C 0.3023(9) -0.2355(6) 0.1617(7) 0.063(3) Uani 1 1 d . . . . .
C24 C 0.3473(8) -0.1606(5) 0.1652(6) 0.052(2) Uani 1 1 d . . . . .
H24 H 0.4270 -0.1521 0.1942 0.063 Uiso 1 1 calc R U . . .
C25 C 0.2765(7) -0.0980(5) 0.1266(5) 0.0379(19) Uani 1 1 d . . . . .
C26 C 0.1574(7) -0.1112(4) 0.0822(5) 0.0319(18) Uani 1 1 d . . . . .
C27 C 0.1127(8) -0.1872(4) 0.0828(5) 0.042(2) Uani 1 1 d . . . . .
H27 H 0.0326 -0.1965 0.0565 0.051 Uiso 1 1 calc R U . . .
C28 C 0.1864(9) -0.2485(5) 0.1218(7) 0.057(3) Uani 1 1 d . . . . .
H28 H 0.1561 -0.2989 0.1206 0.069 Uiso 1 1 calc R U . . .
Cl1 Cl 0.4929(2) 0.35808(15) -0.0097(2) 0.0733(8) Uani 1 1 d . . . . .
Cl2 Cl 0.3931(3) -0.31160(19) 0.2133(3) 0.1148(13) Uani 1 1 d . . . . .
Dy1 Dy 0.06031(3) 0.06373(2) 0.10723(2) 0.02914(12) Uani 1 1 d . . . . .
I1 I 0.29344(6) 0.03446(4) 0.74226(4) 0.0608(2) Uani 1 1 d . . . . .
N1 N 0.1582(6) 0.1940(4) 0.1830(4) 0.0407(17) Uani 1 1 d . . . . .
N2 N 0.2744(6) 0.0344(4) 0.1945(4) 0.0383(16) Uani 1 1 d . . . . .
N3 N -0.0823(6) 0.1597(4) 0.1413(4) 0.0390(16) Uani 1 1 d . . . . .
N4 N 0.0988(6) 0.0431(4) 0.2804(4) 0.0451(18) Uani 1 1 d . . . . .
O1 O 0.1498(4) 0.1172(3) 0.0124(3) 0.0354(13) Uani 1 1 d . . . . .
O2 O 0.0860(4) -0.0524(3) 0.0382(3) 0.0304(12) Uani 1 1 d . . . . .
O3 O -0.0794(6) -0.0260(4) 0.1337(4) 0.0496(16) Uani 1 1 d D . . . .
H3C H -0.109(7) -0.053(4) 0.087(4) 0.060 Uiso 1 1 d D U . . .
H3D H -0.130(6) -0.031(5) 0.162(5) 0.060 Uiso 1 1 d D U . . .
O4 O -0.434(3) 0.055(2) 0.038(3) 0.12(2) Uiso 0.24(2) 1 d . . P . .
H4C H -0.4810 0.0194 0.0086 0.145 Uiso 0.24(2) 1 d R U P . .
H4D H -0.3986 0.0367 0.0903 0.145 Uiso 0.24(2) 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 N1 1.492(10) . ?
C1 C2 1.512(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 N2 1.486(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 N1 1.479(10) . ?
C3 C4 1.500(12) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 N3 1.348(10) . ?
C4 C5 1.375(12) . ?
C5 C6 1.356(14) . ?
C5 H5 0.9300 . ?
C6 C7 1.384(15) . ?
C6 H6 0.9300 . ?
C7 C8 1.371(12) . ?
C7 H7 0.9300 . ?
C8 N3 1.341(10) . ?
C8 H8 0.9300 . ?
C9 C12 1.488(11) . ?
C9 N1 1.498(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C15 1.356(12) . ?
C10 C11 1.364(11) . ?
C10 Cl1 1.752(8) . ?
C11 C12 1.396(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.395(10) . ?
C13 O1 1.338(8) . ?
C13 C14 1.392(11) . ?
C14 C15 1.387(11) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N2 1.477(9) . ?
C16 C17 1.488(12) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N4 1.330(10) . ?
C17 C18 1.386(11) . ?
C18 C19 1.381(14) . ?
C18 H18 0.9300 . ?
C19 C20 1.371(14) . ?
C19 H19 0.9300 . ?
C20 C21 1.350(12) . ?
C20 H20 0.9300 . ?
C21 N4 1.349(11) . ?
C21 H21 0.9300 . ?
C22 C25 1.492(11) . ?
C22 N2 1.506(10) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C28 1.348(13) . ?
C23 C24 1.378(13) . ?
C23 Cl2 1.722(9) . ?
C24 C25 1.379(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.395(10) . ?
C26 O2 1.356(8) . ?
C26 C27 1.400(10) . ?
C27 C28 1.380(11) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
Dy1 O1 2.247(5) . ?
Dy1 O2 2.311(5) . ?
Dy1 O3 2.382(6) . ?
Dy1 O2 2.401(4) 3 ?
Dy1 N3 2.521(6) . ?
Dy1 N2 2.547(6) . ?
Dy1 N4 2.602(7) . ?
Dy1 N1 2.614(6) . ?
Dy1 Dy1 3.8610(7) 3 ?
O2 Dy1 2.401(4) 3 ?
O3 H3C 0.84(2) . ?
O3 H3D 0.85(2) . ?
O4 H4C 0.8500 . ?
O4 H4D 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
N1 C1 C2 113.6(6) . . ?
N1 C1 H1A 108.8 . . ?
C2 C1 H1A 108.8 . . ?
N1 C1 H1B 108.8 . . ?
C2 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
N2 C2 C1 114.8(7) . . ?
N2 C2 H2A 108.6 . . ?
C1 C2 H2A 108.6 . . ?
N2 C2 H2B 108.6 . . ?
C1 C2 H2B 108.6 . . ?
H2A C2 H2B 107.5 . . ?
N1 C3 C4 110.6(7) . . ?
N1 C3 H3A 109.5 . . ?
C4 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
N3 C4 C5 122.8(9) . . ?
N3 C4 C3 115.7(8) . . ?
C5 C4 C3 121.5(8) . . ?
C6 C5 C4 118.3(10) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
C5 C6 C7 120.5(10) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C8 C7 C6 117.9(10) . . ?
C8 C7 H7 121.0 . . ?
C6 C7 H7 121.0 . . ?
N3 C8 C7 122.8(9) . . ?
N3 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
C12 C9 N1 117.0(7) . . ?
C12 C9 H9A 108.0 . . ?
N1 C9 H9A 108.0 . . ?
C12 C9 H9B 108.0 . . ?
N1 C9 H9B 108.0 . . ?
H9A C9 H9B 107.3 . . ?
C15 C10 C11 120.9(8) . . ?
C15 C10 Cl1 119.4(7) . . ?
C11 C10 Cl1 119.7(7) . . ?
C10 C11 C12 120.2(8) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 120.0(8) . . ?
C13 C12 C9 120.4(7) . . ?
C11 C12 C9 119.6(7) . . ?
O1 C13 C14 122.2(7) . . ?
O1 C13 C12 119.7(7) . . ?
C14 C13 C12 118.1(7) . . ?
C15 C14 C13 121.0(8) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C10 C15 C14 119.8(9) . . ?
C10 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
N2 C16 C17 114.2(7) . . ?
N2 C16 H16A 108.7 . . ?
C17 C16 H16A 108.7 . . ?
N2 C16 H16B 108.7 . . ?
C17 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
N4 C17 C18 122.3(9) . . ?
N4 C17 C16 117.9(7) . . ?
C18 C17 C16 119.7(9) . . ?
C19 C18 C17 118.7(10) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C20 C19 C18 118.8(9) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C21 C20 C19 119.2(10) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
N4 C21 C20 123.4(9) . . ?
N4 C21 H21 118.3 . . ?
C20 C21 H21 118.3 . . ?
C25 C22 N2 112.4(6) . . ?
C25 C22 H22A 109.1 . . ?
N2 C22 H22A 109.1 . . ?
C25 C22 H22B 109.1 . . ?
N2 C22 H22B 109.1 . . ?
H22A C22 H22B 107.9 . . ?
C28 C23 C24 120.1(8) . . ?
C28 C23 Cl2 120.0(8) . . ?
C24 C23 Cl2 119.8(8) . . ?
C23 C24 C25 121.4(9) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C26 119.0(8) . . ?
C24 C25 C22 120.4(7) . . ?
C26 C25 C22 120.5(7) . . ?
O2 C26 C25 121.1(7) . . ?
O2 C26 C27 120.3(7) . . ?
C25 C26 C27 118.5(7) . . ?
C28 C27 C26 120.7(8) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C23 C28 C27 120.2(9) . . ?
C23 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
O1 Dy1 O2 83.74(17) . . ?
O1 Dy1 O3 149.74(18) . . ?
O2 Dy1 O3 74.10(19) . . ?
O1 Dy1 O2 76.89(17) . 3 ?
O2 Dy1 O2 69.99(18) . 3 ?
O3 Dy1 O2 76.31(18) . 3 ?
O1 Dy1 N3 110.73(19) . . ?
O2 Dy1 N3 147.31(19) . . ?
O3 Dy1 N3 80.4(2) . . ?
O2 Dy1 N3 84.52(18) 3 . ?
O1 Dy1 N2 80.29(19) . . ?
O2 Dy1 N2 80.05(18) . . ?
O3 Dy1 N2 114.9(2) . . ?
O2 Dy1 N2 143.88(19) 3 . ?
N3 Dy1 N2 130.1(2) . . ?
O1 Dy1 N4 139.1(2) . . ?
O2 Dy1 N4 110.69(19) . . ?
O3 Dy1 N4 69.6(2) . . ?
O2 Dy1 N4 143.8(2) 3 . ?
N3 Dy1 N4 78.1(2) . . ?
N2 Dy1 N4 65.8(2) . . ?
O1 Dy1 N1 73.39(19) . . ?
O2 Dy1 N1 146.2(2) . . ?
O3 Dy1 N1 135.0(2) . . ?
O2 Dy1 N1 125.97(18) 3 . ?
N3 Dy1 N1 66.0(2) . . ?
N2 Dy1 N1 71.9(2) . . ?
N4 Dy1 N1 74.7(2) . . ?
O1 Dy1 Dy1 78.09(12) . 3 ?
O2 Dy1 Dy1 35.76(11) . 3 ?
O3 Dy1 Dy1 71.86(14) . 3 ?
O2 Dy1 Dy1 34.23(11) 3 3 ?
N3 Dy1 Dy1 116.39(15) . 3 ?
N2 Dy1 Dy1 113.51(15) . 3 ?
N4 Dy1 Dy1 135.50(14) . 3 ?
N1 Dy1 Dy1 149.62(14) . 3 ?
C3 N1 C1 110.3(6) . . ?
C3 N1 C9 105.4(6) . . ?
C1 N1 C9 110.7(6) . . ?
C3 N1 Dy1 109.5(5) . . ?
C1 N1 Dy1 109.0(5) . . ?
C9 N1 Dy1 112.0(5) . . ?
C16 N2 C2 109.5(6) . . ?
C16 N2 C22 109.6(6) . . ?
C2 N2 C22 107.3(6) . . ?
C16 N2 Dy1 114.6(5) . . ?
C2 N2 Dy1 107.2(4) . . ?
C22 N2 Dy1 108.4(4) . . ?
C8 N3 C4 117.6(7) . . ?
C8 N3 Dy1 121.1(5) . . ?
C4 N3 Dy1 119.6(6) . . ?
C17 N4 C21 117.6(8) . . ?
C17 N4 Dy1 118.9(6) . . ?
C21 N4 Dy1 123.4(6) . . ?
C13 O1 Dy1 143.3(4) . . ?
C26 O2 Dy1 123.4(4) . . ?
C26 O2 Dy1 125.3(4) . 3 ?
Dy1 O2 Dy1 110.01(18) . 3 ?
Dy1 O3 H3C 109(6) . . ?
Dy1 O3 H3D 143(6) . . ?
H3C O3 H3D 103(8) . . ?
H4C O4 H4D 108.3 . . ?

_refine_diff_density_max         1.406
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.152

