# 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. 
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data_t
_database_code_depnum_ccdc_archive 'CCDC 2003535'
loop_
_audit_author_name
_audit_author_address
'Dawei Li'
;Soochow University
China
;
_audit_update_record             
;
2020-05-12 deposited with the CCDC.	2020-10-27 downloaded from the CCDC.
;
_audit_creation_date             2020-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H42 Dy2 N4 O16'
_chemical_formula_sum            'C36 H42 Dy2 N4 O16'
_chemical_formula_weight         1111.73
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   19.0333(14)
_cell_length_b                   9.0499(7)
_cell_length_c                   23.067(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3973.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9923
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.547
_cell_measurement_theta_min      3.055
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.809
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1177 before and 0.0484 after correction. The Ratio of minimum to maximum transmission is 0.6247. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            13445
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.598
_diffrn_reflns_theta_min         2.492
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3898
_reflns_number_total             4539
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.173
_refine_diff_density_min         -3.982
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4539
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0488
_refine_ls_restrained_S_all      1.212
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0436P)²+44.8969P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1522
_refine_ls_wR_factor_ref         0.1574
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O3-H3
 0.85 with sigma of 0.01
 C18-H3
 1.908489 with sigma of 0.02
 Dy1-H3
 2.854668 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C2(H2A,H2B)
3.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C4(H4), C10(H10), C16(H16), C15(H15), C5(H5), C6(H6)
3.c Idealised Me refined as rotating group:
 C18(H18A,H18C,H18B), C14(H14A,H14B,H14C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.55623(2) 0.73206(4) 0.68407(2) 0.01867(14) Uani 1 1 d D . . . .
O4 O 0.5312(4) 0.4702(7) 0.6925(3) 0.0375(15) Uani 1 1 d . . . . .
O6 O 0.5994(4) 0.3066(7) 0.7332(4) 0.0493(19) Uani 1 1 d . . . . .
O1 O 0.5562(3) 0.7936(6) 0.7808(2) 0.0202(10) Uani 1 1 d . . . . .
N2 N 0.5873(4) 0.4335(8) 0.7193(3) 0.0306(15) Uani 1 1 d . . . . .
O7 O 0.8871(3) 0.5414(7) 0.5447(3) 0.0321(13) Uani 1 1 d . . . . .
O8 O 0.5425(3) 0.6761(6) 0.8844(2) 0.0255(11) Uani 1 1 d . . . . .
O2 O 0.6129(3) 0.6761(7) 0.6055(2) 0.0270(12) Uani 1 1 d . . . . .
O3 O 0.5380(3) 0.9685(6) 0.6426(3) 0.0310(13) Uani 1 1 d D . . . .
H3 H 0.561(4) 0.987(5) 0.612(3) 0.047 Uiso 1 1 d DR . . . .
O5 O 0.6299(3) 0.5376(6) 0.7296(3) 0.0335(14) Uani 1 1 d . . . . .
N1 N 0.6733(3) 0.8432(7) 0.6954(3) 0.0194(12) Uani 1 1 d . . . . .
C12 C 0.8052(4) 0.6702(9) 0.6025(3) 0.0239(15) Uani 1 1 d . . . . .
H12 H 0.8435 0.7135 0.6209 0.029 Uiso 1 1 calc R . . . .
C9 C 0.6791(4) 0.9520(8) 0.7434(3) 0.0237(15) Uani 1 1 d . . . . .
H9A H 0.6419 1.0246 0.7400 0.028 Uiso 1 1 calc R . . . .
H9B H 0.7238 1.0032 0.7407 0.028 Uiso 1 1 calc R . . . .
C18 C 0.4925(5) 1.0915(10) 0.6557(5) 0.041(2) Uani 1 1 d D . . . .
H18A H 0.4488 1.0798 0.6354 0.061 Uiso 1 1 calc GR . . . .
H18C H 0.5146 1.1818 0.6436 0.061 Uiso 1 1 calc GR . . . .
H18B H 0.4838 1.0949 0.6966 0.061 Uiso 1 1 calc GR . . . .
C8 C 0.6739(4) 0.8760(9) 0.8009(3) 0.0224(15) Uani 1 1 d . . . . .
C13 C 0.8166(4) 0.5722(9) 0.5584(3) 0.0258(16) Uani 1 1 d . . . . .
C17 C 0.6783(4) 0.6432(8) 0.5919(3) 0.0205(14) Uani 1 1 d . . . . .
C3 C 0.6077(4) 0.7378(8) 0.8720(3) 0.0226(15) Uani 1 1 d . . . . .
C11 C 0.7365(4) 0.7069(8) 0.6207(3) 0.0217(15) Uani 1 1 d . . . . .
C4 C 0.6632(5) 0.7418(10) 0.9105(4) 0.0322(19) Uani 1 1 d . . . . .
H4 H 0.6594 0.6978 0.9468 0.039 Uiso 1 1 calc R . . . .
C10 C 0.7295(4) 0.8123(9) 0.6685(3) 0.0235(15) Uani 1 1 d . . . . .
H10 H 0.7701 0.8612 0.6802 0.028 Uiso 1 1 calc R . . . .
C16 C 0.6927(5) 0.5444(10) 0.5467(3) 0.0300(18) Uani 1 1 d . . . . .
H16 H 0.6552 0.5018 0.5270 0.036 Uiso 1 1 calc R . . . .
C15 C 0.7605(4) 0.5073(9) 0.5297(4) 0.0270(17) Uani 1 1 d . . . . .
H15 H 0.7681 0.4403 0.4998 0.032 Uiso 1 1 calc R . . . .
C7 C 0.6126(4) 0.8029(8) 0.8168(3) 0.0198(14) Uani 1 1 d . . . . .
C5 C 0.7252(5) 0.8133(12) 0.8939(4) 0.038(2) Uani 1 1 d . . . . .
H5 H 0.7631 0.8170 0.9193 0.046 Uiso 1 1 calc R . . . .
C2 C 0.5381(5) 0.5706(11) 0.9314(4) 0.036(2) Uani 1 1 d . . . . .
H2A H 0.4892 0.5473 0.9390 0.043 Uiso 1 1 calc R . . . .
H2B H 0.5578 0.6139 0.9663 0.043 Uiso 1 1 calc R . . . .
C6 C 0.7306(4) 0.8781(10) 0.8403(4) 0.0320(18) Uani 1 1 d . . . . .
H6 H 0.7724 0.9243 0.8297 0.038 Uiso 1 1 calc R . . . .
C14 C 0.8987(5) 0.4375(11) 0.4993(4) 0.039(2) Uani 1 1 d . . . . .
H14A H 0.8816 0.4773 0.4634 0.058 Uiso 1 1 calc GR . . . .
H14B H 0.8743 0.3474 0.5079 0.058 Uiso 1 1 calc GR . . . .
H14C H 0.9481 0.4178 0.4960 0.058 Uiso 1 1 calc GR . . . .
C1 C 0.5774(7) 0.4308(12) 0.9168(6) 0.058(3) Uani 1 1 d . . . . .
H1A H 0.5626 0.3958 0.8794 0.087 Uiso 1 1 calc GR . . . .
H1B H 0.5676 0.3570 0.9455 0.087 Uiso 1 1 calc GR . . . .
H1C H 0.6269 0.4507 0.9161 0.087 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.424(6) . ?
Dy1 O1 2.300(5) . ?
Dy1 O1 2.355(5) 3_656 ?
Dy1 O8 2.506(5) 3_656 ?
Dy1 O2 2.169(5) . ?
Dy1 O3 2.370(6) . ?
Dy1 O5 2.483(6) . ?
Dy1 N1 2.459(6) . ?
O4 N2 1.277(10) . ?
O6 N2 1.214(9) . ?
O1 Dy1 2.355(5) 3_656 ?
O1 C7 1.360(9) . ?
N2 O5 1.266(9) . ?
O7 C13 1.407(10) . ?
O7 C14 1.424(10) . ?
O8 Dy1 2.506(5) 3_656 ?
O8 C3 1.391(9) . ?
O8 C2 1.446(10) . ?
O2 C17 1.318(9) . ?
O3 H3 0.851(9) . ?
O3 C18 1.442(10) . ?
N1 C9 1.485(9) . ?
N1 C10 1.267(10) . ?
C12 H12 0.9300 . ?
C12 C13 1.367(11) . ?
C12 C11 1.412(11) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C8 1.497(11) . ?
C18 H18A 0.9600 . ?
C18 H18C 0.9600 . ?
C18 H18B 0.9600 . ?
C8 C7 1.390(11) . ?
C8 C6 1.411(11) . ?
C13 C15 1.385(11) . ?
C17 C11 1.415(10) . ?
C17 C16 1.402(11) . ?
C3 C4 1.380(11) . ?
C3 C7 1.407(11) . ?
C11 C10 1.464(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.401(13) . ?
C10 H10 0.9300 . ?
C16 H16 0.9300 . ?
C16 C15 1.390(11) . ?
C15 H15 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.372(13) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C1 1.508(16) . ?
C6 H6 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Dy1 O8 72.9(2) . 3_656 ?
O4 Dy1 O5 52.0(2) . . ?
O4 Dy1 N1 124.7(2) . . ?
O1 Dy1 O4 91.4(2) 3_656 . ?
O1 Dy1 O4 99.1(2) . . ?
O1 Dy1 O1 67.0(2) . 3_656 ?
O1 Dy1 O8 65.37(17) 3_656 3_656 ?
O1 Dy1 O8 131.35(18) . 3_656 ?
O1 Dy1 O3 100.0(2) . . ?
O1 Dy1 O3 78.00(19) 3_656 . ?
O1 Dy1 O5 122.4(2) 3_656 . ?
O1 Dy1 O5 76.17(19) . . ?
O1 Dy1 N1 133.67(19) 3_656 . ?
O1 Dy1 N1 78.34(19) . . ?
O2 Dy1 O4 86.4(2) . . ?
O2 Dy1 O1 150.16(19) . . ?
O2 Dy1 O1 142.57(19) . 3_656 ?
O2 Dy1 O8 78.37(19) . 3_656 ?
O2 Dy1 O3 86.9(2) . . ?
O2 Dy1 O5 84.7(2) . . ?
O2 Dy1 N1 74.6(2) . . ?
O3 Dy1 O4 152.4(2) . . ?
O3 Dy1 O8 79.5(2) . 3_656 ?
O3 Dy1 O5 153.3(2) . . ?
O3 Dy1 N1 78.8(2) . . ?
O5 Dy1 O8 123.13(19) . 3_656 ?
N1 Dy1 O8 145.99(19) . 3_656 ?
N1 Dy1 O5 74.5(2) . . ?
N2 O4 Dy1 97.5(5) . . ?
Dy1 O1 Dy1 106.0(2) . 3_656 ?
C7 O1 Dy1 121.5(4) . 3_656 ?
C7 O1 Dy1 127.4(4) . . ?
O6 N2 O4 122.2(8) . . ?
O6 N2 O5 122.2(8) . . ?
O5 N2 O4 115.6(7) . . ?
C13 O7 C14 116.4(7) . . ?
C3 O8 Dy1 117.3(4) . 3_656 ?
C3 O8 C2 118.0(6) . . ?
C2 O8 Dy1 124.3(5) . 3_656 ?
C17 O2 Dy1 136.1(5) . . ?
Dy1 O3 H3 116.0(15) . . ?
C18 O3 Dy1 134.5(5) . . ?
C18 O3 H3 109.4(15) . . ?
N2 O5 Dy1 95.0(4) . . ?
C9 N1 Dy1 114.7(5) . . ?
C10 N1 Dy1 128.5(5) . . ?
C10 N1 C9 116.6(6) . . ?
C13 C12 H12 119.3 . . ?
C13 C12 C11 121.3(7) . . ?
C11 C12 H12 119.3 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 C8 110.5(6) . . ?
H9A C9 H9B 108.1 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18C 109.5 . . ?
O3 C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18C C18 H18B 109.5 . . ?
C7 C8 C9 120.6(7) . . ?
C7 C8 C6 118.5(7) . . ?
C6 C8 C9 120.9(7) . . ?
C12 C13 O7 116.5(7) . . ?
C12 C13 C15 120.6(7) . . ?
C15 C13 O7 122.9(7) . . ?
O2 C17 C11 122.5(7) . . ?
O2 C17 C16 120.4(7) . . ?
C16 C17 C11 117.1(7) . . ?
O8 C3 C7 114.5(6) . . ?
C4 C3 O8 124.2(7) . . ?
C4 C3 C7 121.3(7) . . ?
C12 C11 C17 119.4(7) . . ?
C12 C11 C10 117.5(7) . . ?
C17 C11 C10 123.1(7) . . ?
C3 C4 H4 120.6 . . ?
C3 C4 C5 118.8(8) . . ?
C5 C4 H4 120.6 . . ?
N1 C10 C11 126.1(7) . . ?
N1 C10 H10 116.9 . . ?
C11 C10 H10 116.9 . . ?
C17 C16 H16 118.5 . . ?
C15 C16 C17 123.1(8) . . ?
C15 C16 H16 118.5 . . ?
C13 C15 C16 118.6(7) . . ?
C13 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
O1 C7 C8 122.0(7) . . ?
O1 C7 C3 118.3(7) . . ?
C8 C7 C3 119.7(7) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.5(8) . . ?
C6 C5 H5 119.8 . . ?
O8 C2 H2A 109.4 . . ?
O8 C2 H2B 109.4 . . ?
O8 C2 C1 110.9(8) . . ?
H2A C2 H2B 108.0 . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C8 C6 H6 119.4 . . ?
C5 C6 C8 121.1(8) . . ?
C5 C6 H6 119.4 . . ?
O7 C14 H14A 109.5 . . ?
O7 C14 H14B 109.5 . . ?
O7 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_t_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2003536'
loop_
_audit_author_name
_audit_author_address
'Dawei Li'
;Soochow University
China
;
_audit_update_record             
;
2020-05-12 deposited with the CCDC.	2020-10-27 downloaded from the CCDC.
;
_audit_creation_date             2020-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H40 Cl2 Dy2 N5 O14, 2(C2 H6 O)'
_chemical_formula_sum            'C41 H52 Cl2 Dy2 N5 O16'
_chemical_formula_weight         1266.77
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   23.1560(9)
_cell_length_b                   12.3704(5)
_cell_length_c                   16.9025(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4841.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9379
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.455
_cell_measurement_theta_min      2.410
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.245
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1682 before and 0.0669 after correction. The Ratio of minimum to maximum transmission is 0.6828. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2508
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0895
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16460
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.487
_diffrn_reflns_theta_min         2.409
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.845
_reflns_Friedel_fraction_full    0.923
_reflns_Friedel_fraction_max     0.900
_reflns_number_gt                9234
_reflns_number_total             10514
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.454
_refine_diff_density_rms         0.223
_refine_ls_abs_structure_details 
;
 Flack x determined using 3762 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.007(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         10514
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0706P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1351
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C31(H31A,H31B), C8(H8A,H8B), C24(H24A,H24B), C33(H33A,H33B),
 C36(H36A,H36B), C38(H38A,H38B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C28(H28), C2(H2), C23(H23), C7(H7), C21(H21), C27(H27),
 C12(H12), C5(H5), C18(H18), C3(H3), C19(H19), C26(H26), C39(H39)
2.c Tetrahedral OH refined with riding coordinates:
 O16(H16)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C40(H40A,H40B,H40C), C37(H37A,H37B,H37C), C41(H41A,H41B,H41C)
2.e Idealised tetrahedral OH refined as rotating group:
 O15(H15)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.64512(2) 0.22360(4) 0.44084(3) 0.02225(13) Uani 1 1 d . . . . .
Dy2 Dy 0.59250(2) 0.47224(4) 0.55528(4) 0.02392(14) Uani 1 1 d . . . . .
Cl2 Cl 0.64189(16) 0.8666(3) 0.8953(2) 0.0479(9) Uani 1 1 d . . . . .
Cl1 Cl 0.6514(2) -0.2006(3) 0.1043(3) 0.0563(11) Uani 1 1 d . . . . .
O6 O 0.6983(3) 0.1328(6) 0.5495(6) 0.0271(16) Uani 1 1 d . . . . .
O2 O 0.6793(4) 0.0822(7) 0.3804(5) 0.0302(18) Uani 1 1 d . . . . .
O1 O 0.5946(3) 0.3818(6) 0.4354(5) 0.0241(16) Uani 1 1 d . . . . .
O3 O 0.6223(4) 0.2881(6) 0.5691(5) 0.0280(18) Uani 1 1 d . . . . .
O5 O 0.6291(4) 0.5829(6) 0.4439(7) 0.0362(18) Uani 1 1 d . . . . .
N3 N 0.4726(5) 0.4555(9) 0.5114(8) 0.037(3) Uani 1 1 d . . . . .
O14 O 0.5693(4) 0.1046(7) 0.4768(5) 0.0320(19) Uani 1 1 d . . . . .
O4 O 0.5749(4) 0.6350(7) 0.6044(5) 0.0295(18) Uani 1 1 d . . . . .
N2 N 0.5883(4) 0.2093(8) 0.3133(7) 0.029(2) Uani 1 1 d . . . . .
C9 C 0.5625(5) 0.4024(10) 0.3014(7) 0.026(2) Uani 1 1 d . . . . .
O8 O 0.5034(5) 0.5287(7) 0.4828(6) 0.042(2) Uani 1 1 d . . . . .
O9 O 0.4953(4) 0.3960(7) 0.5658(6) 0.038(2) Uani 1 1 d . . . . .
O15 O 0.5524(5) -0.1022(7) 0.4385(9) 0.056(3) Uani 1 1 d . . . . .
H15 H 0.5600 -0.0375 0.4410 0.084 Uiso 1 1 calc GR . . . .
N4 N 0.7452(6) 0.3442(9) 0.3909(10) 0.050(4) Uani 1 1 d . . . . .
O11 O 0.7032(4) 0.3314(9) 0.3463(7) 0.049(3) Uani 1 1 d . . . . .
O12 O 0.7426(5) 0.2979(9) 0.4576(9) 0.059(3) Uani 1 1 d . . . . .
C15 C 0.6665(6) 0.6758(9) 0.4464(11) 0.038(3) Uani 1 1 d . . . . .
H15A H 0.6722 0.6972 0.5010 0.046 Uiso 1 1 calc R . . . .
H15B H 0.6481 0.7354 0.4190 0.046 Uiso 1 1 calc R . . . .
C13 C 0.5892(5) 0.4422(11) 0.3692(8) 0.027(3) Uani 1 1 d . . . . .
C29 C 0.6846(5) 0.1554(9) 0.6259(7) 0.025(2) Uani 1 1 d . . . . .
C10 C 0.5552(5) 0.4677(10) 0.2357(8) 0.032(3) Uani 1 1 d . . . . .
H10 H 0.5366 0.4415 0.1908 0.038 Uiso 1 1 calc R . . . .
C31 C 0.7402(6) 0.0475(9) 0.5332(8) 0.032(3) Uani 1 1 d . . . . .
H31A H 0.7722 0.0538 0.5699 0.039 Uiso 1 1 calc R . . . .
H31B H 0.7553 0.0567 0.4801 0.039 Uiso 1 1 calc R . . . .
O16 O 0.4902(5) 0.7763(7) 0.5420(8) 0.054(3) Uani 1 1 d . . . . .
H16 H 0.5154 0.7323 0.5309 0.080 Uiso 1 1 calc R . . . .
N5 N 0.7733(6) 0.4456(12) 0.6325(10) 0.057(4) Uani 1 1 d . . . . .
O7 O 0.6871(4) 0.5043(8) 0.5890(6) 0.040(2) Uani 1 1 d . . . . .
C6 C 0.6344(5) 0.0475(9) 0.2558(7) 0.026(2) Uani 1 1 d . . . . .
C25 C 0.6188(5) 0.2569(9) 0.7105(7) 0.026(2) Uani 1 1 d . . . . .
C30 C 0.6409(5) 0.2375(10) 0.6349(8) 0.028(3) Uani 1 1 d . . . . .
C11 C 0.5765(7) 0.5758(12) 0.2376(9) 0.042(3) Uani 1 1 d . . . . .
H11 H 0.5724 0.6201 0.1935 0.051 Uiso 1 1 calc R . . . .
C28 C 0.7078(6) 0.1043(9) 0.6922(8) 0.033(3) Uani 1 1 d . . . . .
H28 H 0.7364 0.0521 0.6862 0.039 Uiso 1 1 calc R . . . .
O10 O 0.4235(6) 0.4408(12) 0.4890(10) 0.073(4) Uani 1 1 d . . . . .
C2 C 0.7061(5) -0.0736(10) 0.3090(8) 0.032(3) Uani 1 1 d . . . . .
H2 H 0.7319 -0.0928 0.3488 0.038 Uiso 1 1 calc R . . . .
C22 C 0.6008(5) 0.6280(10) 0.7429(8) 0.029(2) Uani 1 1 d . . . . .
N1 N 0.5826(4) 0.4437(8) 0.6982(7) 0.028(2) Uani 1 1 d . . . . .
C23 C 0.5895(5) 0.5142(11) 0.7536(8) 0.026(3) Uani 1 1 d . . . . .
H23 H 0.5870 0.4894 0.8054 0.032 Uiso 1 1 calc R . . . .
C7 C 0.5935(5) 0.1390(10) 0.2567(7) 0.026(2) Uani 1 1 d . . . . .
H7 H 0.5694 0.1470 0.2131 0.032 Uiso 1 1 calc R . . . .
C21 C 0.6159(5) 0.6873(11) 0.8123(8) 0.031(3) Uani 1 1 d . . . . .
H21 H 0.6203 0.6511 0.8601 0.038 Uiso 1 1 calc R . . . .
C27 C 0.6883(6) 0.1314(11) 0.7669(8) 0.035(3) Uani 1 1 d . . . . .
H27 H 0.7050 0.0997 0.8112 0.043 Uiso 1 1 calc R . . . .
C12 C 0.6024(6) 0.6138(11) 0.3030(8) 0.035(3) Uani 1 1 d . . . . .
H12 H 0.6175 0.6834 0.3031 0.042 Uiso 1 1 calc R . . . .
C5 C 0.6298(6) -0.0214(10) 0.1899(7) 0.033(3) Uani 1 1 d . . . . .
H5 H 0.6050 -0.0028 0.1489 0.039 Uiso 1 1 calc R . . . .
O13 O 0.7887(5) 0.3960(10) 0.3724(10) 0.069(4) Uani 1 1 d . . . . .
C8 C 0.5405(5) 0.2860(9) 0.3038(9) 0.030(3) Uani 1 1 d . . . . .
H8A H 0.5137 0.2778 0.3475 0.036 Uiso 1 1 calc R . . . .
H8B H 0.5199 0.2701 0.2552 0.036 Uiso 1 1 calc R . . . .
C24 C 0.5696(5) 0.3332(9) 0.7215(8) 0.030(3) Uani 1 1 d . . . . .
H24A H 0.5370 0.3077 0.6907 0.036 Uiso 1 1 calc R . . . .
H24B H 0.5583 0.3327 0.7767 0.036 Uiso 1 1 calc R . . . .
C14 C 0.6066(5) 0.5514(10) 0.3694(8) 0.026(2) Uani 1 1 d . . . . .
C33 C 0.5171(6) 0.1324(12) 0.5156(10) 0.047(4) Uani 1 1 d . . . . .
H33A H 0.4846 0.1084 0.4840 0.056 Uiso 1 1 calc R . . . .
H33B H 0.5146 0.2103 0.5209 0.056 Uiso 1 1 calc R . . . .
C20 C 0.6239(6) 0.7968(12) 0.8092(9) 0.038(3) Uani 1 1 d . . . . .
C18 C 0.6011(6) 0.7971(10) 0.6709(9) 0.036(3) Uani 1 1 d . . . . .
H18 H 0.5966 0.8349 0.6237 0.043 Uiso 1 1 calc R . . . .
C1 C 0.6735(5) 0.0227(8) 0.3172(8) 0.025(2) Uani 1 1 d . . . . .
C16 C 0.7247(7) 0.6531(14) 0.4085(12) 0.057(4) Uani 1 1 d . . . . .
H16A H 0.7209 0.6548 0.3520 0.086 Uiso 1 1 calc GR . . . .
H16B H 0.7381 0.5831 0.4248 0.086 Uiso 1 1 calc GR . . . .
H16C H 0.7520 0.7072 0.4249 0.086 Uiso 1 1 calc GR . . . .
C36 C 0.5350(8) -0.1286(12) 0.3607(12) 0.057(5) Uani 1 1 d . . . . .
H36A H 0.5202 -0.2019 0.3601 0.069 Uiso 1 1 calc R . . . .
H36B H 0.5683 -0.1260 0.3260 0.069 Uiso 1 1 calc R . . . .
C32 C 0.7141(6) -0.0632(10) 0.5405(10) 0.041(3) Uani 1 1 d . . . . .
H32A H 0.6792 -0.0665 0.5100 0.062 Uiso 1 1 calc GR . . . .
H32B H 0.7055 -0.0777 0.5950 0.062 Uiso 1 1 calc GR . . . .
H32C H 0.7410 -0.1161 0.5211 0.062 Uiso 1 1 calc GR . . . .
C3 C 0.7005(6) -0.1401(9) 0.2434(7) 0.032(3) Uani 1 1 d . . . . .
H3 H 0.7233 -0.2017 0.2388 0.038 Uiso 1 1 calc R . . . .
C19 C 0.6164(6) 0.8525(11) 0.7374(8) 0.037(3) Uani 1 1 d . . . . .
H19 H 0.6218 0.9269 0.7354 0.044 Uiso 1 1 calc R . . . .
C4 C 0.6610(6) -0.1147(10) 0.1847(8) 0.032(3) Uani 1 1 d . . . . .
C26 C 0.6439(6) 0.2054(11) 0.7763(8) 0.036(3) Uani 1 1 d . . . . .
H26 H 0.6305 0.2212 0.8269 0.044 Uiso 1 1 calc R . . . .
C34 C 0.5138(10) 0.0814(17) 0.5960(12) 0.073(6) Uani 1 1 d . . . . .
H34A H 0.5208 0.0051 0.5915 0.110 Uiso 1 1 calc GR . . . .
H34B H 0.4762 0.0932 0.6181 0.110 Uiso 1 1 calc GR . . . .
H34C H 0.5425 0.1131 0.6299 0.110 Uiso 1 1 calc GR . . . .
C39 C 0.7238(8) 0.4437(13) 0.6184(15) 0.070(6) Uani 1 1 d . . . . .
H39 H 0.7075 0.3783 0.6336 0.084 Uiso 1 1 calc R . . . .
C17 C 0.5921(5) 0.6840(9) 0.6712(8) 0.026(2) Uani 1 1 d . . . . .
C35 C 0.4896(9) -0.0536(16) 0.3299(14) 0.070(5) Uani 1 1 d . . . . .
H35A H 0.4798 -0.0735 0.2767 0.106 Uiso 1 1 calc GR . . . .
H35B H 0.5040 0.0192 0.3305 0.106 Uiso 1 1 calc GR . . . .
H35C H 0.4559 -0.0582 0.3627 0.106 Uiso 1 1 calc GR . . . .
C40 C 0.8105(8) 0.363(2) 0.6647(13) 0.077(6) Uani 1 1 d . . . . .
H40A H 0.7936 0.3348 0.7122 0.115 Uiso 1 1 calc GR . . . .
H40B H 0.8475 0.3941 0.6767 0.115 Uiso 1 1 calc GR . . . .
H40C H 0.8151 0.3062 0.6268 0.115 Uiso 1 1 calc GR . . . .
C38 C 0.4341(8) 0.7354(12) 0.5157(14) 0.062(5) Uani 1 1 d . . . . .
H38A H 0.4383 0.7027 0.4638 0.075 Uiso 1 1 calc R . . . .
H38B H 0.4210 0.6798 0.5521 0.075 Uiso 1 1 calc R . . . .
C37 C 0.3913(7) 0.8210(15) 0.5119(11) 0.055(4) Uani 1 1 d . . . . .
H37A H 0.3970 0.8625 0.4646 0.083 Uiso 1 1 calc GR . . . .
H37B H 0.3953 0.8672 0.5572 0.083 Uiso 1 1 calc GR . . . .
H37C H 0.3533 0.7899 0.5115 0.083 Uiso 1 1 calc GR . . . .
C41 C 0.8089(11) 0.503(3) 0.570(2) 0.116(11) Uani 1 1 d . . . . .
H41A H 0.8130 0.4578 0.5248 0.174 Uiso 1 1 calc GR . . . .
H41B H 0.8464 0.5197 0.5917 0.174 Uiso 1 1 calc GR . . . .
H41C H 0.7899 0.5693 0.5556 0.174 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.480(8) . ?
Dy1 O2 2.175(8) . ?
Dy1 O1 2.282(7) . ?
Dy1 O3 2.370(9) . ?
Dy1 O14 2.370(8) . ?
Dy1 N2 2.531(11) . ?
Dy1 O11 2.479(11) . ?
Dy1 O12 2.454(10) . ?
Dy2 O1 2.315(9) . ?
Dy2 O3 2.391(7) . ?
Dy2 O5 2.478(11) . ?
Dy2 O4 2.216(8) . ?
Dy2 O8 2.498(10) . ?
Dy2 O9 2.446(9) . ?
Dy2 O7 2.298(9) . ?
Dy2 N1 2.452(11) . ?
Cl2 C20 1.744(14) . ?
Cl1 C4 1.739(13) . ?
O6 C29 1.360(16) . ?
O6 C31 1.459(13) . ?
O2 C1 1.304(15) . ?
O1 C13 1.351(16) . ?
O3 C30 1.347(15) . ?
O5 C15 1.438(14) . ?
O5 C14 1.418(17) . ?
N3 O8 1.250(15) . ?
N3 O9 1.289(15) . ?
N3 O10 1.212(16) . ?
O14 C33 1.419(16) . ?
O4 C17 1.341(16) . ?
N2 C7 1.298(16) . ?
N2 C8 1.467(14) . ?
C9 C13 1.392(18) . ?
C9 C10 1.385(17) . ?
C9 C8 1.528(16) . ?
O15 C36 1.41(2) . ?
N4 O11 1.240(18) . ?
N4 O12 1.266(19) . ?
N4 O13 1.234(17) . ?
C15 C16 1.52(2) . ?
C13 C14 1.410(17) . ?
C29 C30 1.441(16) . ?
C29 C28 1.394(17) . ?
C10 C11 1.43(2) . ?
C31 C32 1.501(18) . ?
O16 C38 1.46(2) . ?
N5 C39 1.17(2) . ?
N5 C40 1.44(2) . ?
N5 C41 1.51(3) . ?
O7 C39 1.24(2) . ?
C6 C7 1.476(17) . ?
C6 C5 1.405(17) . ?
C6 C1 1.412(17) . ?
C25 C30 1.399(18) . ?
C25 C24 1.490(17) . ?
C25 C26 1.408(18) . ?
C11 C12 1.34(2) . ?
C28 C27 1.38(2) . ?
C2 C1 1.417(17) . ?
C2 C3 1.386(18) . ?
C22 C23 1.443(18) . ?
C22 C21 1.426(17) . ?
C22 C17 1.410(19) . ?
N1 C23 1.290(18) . ?
N1 C24 1.454(15) . ?
C21 C20 1.369(19) . ?
C27 C26 1.38(2) . ?
C12 C14 1.365(18) . ?
C5 C4 1.364(19) . ?
C33 C34 1.50(3) . ?
C20 C19 1.41(2) . ?
C18 C19 1.36(2) . ?
C18 C17 1.415(16) . ?
C36 C35 1.50(3) . ?
C3 C4 1.39(2) . ?
C38 C37 1.45(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
O6 Dy1 N2 149.0(3) . . ?
O2 Dy1 O6 78.6(3) . . ?
O2 Dy1 O1 149.0(3) . . ?
O2 Dy1 O3 141.4(3) . . ?
O2 Dy1 O14 83.7(3) . . ?
O2 Dy1 N2 74.5(3) . . ?
O2 Dy1 O11 86.1(4) . . ?
O2 Dy1 O12 91.2(4) . . ?
O1 Dy1 O6 132.3(3) . . ?
O1 Dy1 O3 68.5(3) . . ?
O1 Dy1 O14 99.4(3) . . ?
O1 Dy1 N2 76.1(3) . . ?
O1 Dy1 O11 77.9(3) . . ?
O1 Dy1 O12 98.9(3) . . ?
O3 Dy1 O6 65.5(3) . . ?
O3 Dy1 N2 133.4(3) . . ?
O3 Dy1 O11 122.0(3) . . ?
O3 Dy1 O12 88.5(4) . . ?
O14 Dy1 O6 84.1(3) . . ?
O14 Dy1 O3 79.0(3) . . ?
O14 Dy1 N2 77.9(3) . . ?
O14 Dy1 O11 154.4(3) . . ?
O14 Dy1 O12 152.2(4) . . ?
O11 Dy1 O6 116.8(3) . . ?
O11 Dy1 N2 76.7(3) . . ?
O12 Dy1 O6 68.1(4) . . ?
O12 Dy1 N2 127.1(4) . . ?
O12 Dy1 O11 51.2(4) . . ?
O1 Dy2 O3 67.6(3) . . ?
O1 Dy2 O5 66.1(3) . . ?
O1 Dy2 O8 73.9(3) . . ?
O1 Dy2 O9 84.1(3) . . ?
O1 Dy2 N1 142.6(3) . . ?
O3 Dy2 O5 120.1(3) . . ?
O3 Dy2 O8 123.5(3) . . ?
O3 Dy2 O9 83.7(3) . . ?
O3 Dy2 N1 78.1(3) . . ?
O5 Dy2 O8 75.8(3) . . ?
O4 Dy2 O1 140.5(3) . . ?
O4 Dy2 O3 151.9(3) . . ?
O4 Dy2 O5 81.1(3) . . ?
O4 Dy2 O8 77.2(3) . . ?
O4 Dy2 O9 98.8(3) . . ?
O4 Dy2 O7 85.7(4) . . ?
O4 Dy2 N1 75.2(3) . . ?
O9 Dy2 O5 125.7(3) . . ?
O9 Dy2 O8 52.0(3) . . ?
O9 Dy2 N1 77.7(3) . . ?
O7 Dy2 O1 106.3(3) . . ?
O7 Dy2 O3 82.3(3) . . ?
O7 Dy2 O5 76.5(3) . . ?
O7 Dy2 O8 149.3(3) . . ?
O7 Dy2 O9 157.7(4) . . ?
O7 Dy2 N1 82.5(4) . . ?
N1 Dy2 O5 149.3(3) . . ?
N1 Dy2 O8 116.5(3) . . ?
C29 O6 Dy1 119.6(6) . . ?
C29 O6 C31 118.9(9) . . ?
C31 O6 Dy1 121.2(7) . . ?
C1 O2 Dy1 143.3(7) . . ?
Dy1 O1 Dy2 113.0(3) . . ?
C13 O1 Dy1 123.8(7) . . ?
C13 O1 Dy2 117.1(7) . . ?
Dy1 O3 Dy2 107.2(3) . . ?
C30 O3 Dy1 121.8(7) . . ?
C30 O3 Dy2 128.0(8) . . ?
C15 O5 Dy2 128.7(9) . . ?
C14 O5 Dy2 113.4(7) . . ?
C14 O5 C15 117.8(11) . . ?
O8 N3 O9 117.1(10) . . ?
O10 N3 O8 121.6(14) . . ?
O10 N3 O9 121.3(13) . . ?
C33 O14 Dy1 126.9(8) . . ?
C17 O4 Dy2 132.2(7) . . ?
C7 N2 Dy1 128.8(8) . . ?
C7 N2 C8 114.9(10) . . ?
C8 N2 Dy1 116.1(8) . . ?
C13 C9 C8 117.4(11) . . ?
C10 C9 C13 120.5(12) . . ?
C10 C9 C8 122.1(11) . . ?
N3 O8 Dy2 94.5(7) . . ?
N3 O9 Dy2 96.0(7) . . ?
O11 N4 O12 116.6(12) . . ?
O13 N4 O11 123.4(16) . . ?
O13 N4 O12 119.9(16) . . ?
N4 O11 Dy1 95.8(9) . . ?
N4 O12 Dy1 96.3(9) . . ?
O5 C15 C16 111.9(11) . . ?
O1 C13 C9 121.8(12) . . ?
O1 C13 C14 120.1(12) . . ?
C9 C13 C14 117.9(11) . . ?
O6 C29 C30 114.1(10) . . ?
O6 C29 C28 125.5(10) . . ?
C28 C29 C30 120.4(11) . . ?
C9 C10 C11 119.1(12) . . ?
O6 C31 C32 112.1(11) . . ?
C39 N5 C40 130.4(17) . . ?
C39 N5 C41 114(2) . . ?
C40 N5 C41 105.7(19) . . ?
C39 O7 Dy2 130.5(10) . . ?
C5 C6 C7 115.1(11) . . ?
C5 C6 C1 120.0(11) . . ?
C1 C6 C7 124.8(11) . . ?
C30 C25 C24 120.2(11) . . ?
C30 C25 C26 119.5(12) . . ?
C26 C25 C24 120.3(11) . . ?
O3 C30 C29 117.8(11) . . ?
O3 C30 C25 123.8(11) . . ?
C25 C30 C29 118.3(11) . . ?
C12 C11 C10 120.2(12) . . ?
C27 C28 C29 119.8(11) . . ?
C3 C2 C1 121.9(12) . . ?
C21 C22 C23 116.3(12) . . ?
C17 C22 C23 124.1(12) . . ?
C17 C22 C21 119.3(11) . . ?
C23 N1 Dy2 127.3(9) . . ?
C23 N1 C24 117.7(11) . . ?
C24 N1 Dy2 114.9(8) . . ?
N1 C23 C22 126.2(12) . . ?
N2 C7 C6 125.5(11) . . ?
C20 C21 C22 120.7(13) . . ?
C28 C27 C26 120.6(12) . . ?
C11 C12 C14 120.7(13) . . ?
C4 C5 C6 121.7(13) . . ?
N2 C8 C9 111.1(9) . . ?
N1 C24 C25 113.8(10) . . ?
C13 C14 O5 111.7(11) . . ?
C12 C14 O5 127.0(11) . . ?
C12 C14 C13 121.3(12) . . ?
O14 C33 C34 111.1(15) . . ?
C21 C20 Cl2 119.4(11) . . ?
C21 C20 C19 120.1(12) . . ?
C19 C20 Cl2 120.5(11) . . ?
C19 C18 C17 122.1(13) . . ?
O2 C1 C6 123.1(10) . . ?
O2 C1 C2 120.0(11) . . ?
C6 C1 C2 116.9(11) . . ?
O15 C36 C35 112.4(14) . . ?
C2 C3 C4 120.0(11) . . ?
C18 C19 C20 119.9(12) . . ?
C5 C4 Cl1 120.1(11) . . ?
C5 C4 C3 119.6(11) . . ?
C3 C4 Cl1 120.3(10) . . ?
C27 C26 C25 121.0(13) . . ?
N5 C39 O7 137.9(18) . . ?
O4 C17 C22 123.0(10) . . ?
O4 C17 C18 119.2(12) . . ?
C22 C17 C18 117.9(12) . . ?
C37 C38 O16 111.5(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
