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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_b190907a_0m
_database_code_depnum_ccdc_archive 'CCDC 1969136'
loop_
_audit_author_name
_audit_author_address
'Yuan Huang'
;Soochow university
China
;
_audit_update_record             
;
2019-11-30 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;
_audit_creation_date             2019-09-07
_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         'C34 H30 Cl2 Dy2 N3 O13, C6 H16 N'
_chemical_formula_sum            'C40 H46 Cl2 Dy2 N4 O13'
_chemical_formula_weight         1186.71
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9104(5)
_cell_length_b                   13.6490(7)
_cell_length_c                   17.3574(9)
_cell_angle_alpha                99.610(2)
_cell_angle_beta                 106.439(2)
_cell_angle_gamma                94.958(2)
_cell_volume                     2198.0(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9113
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.536
_shelx_estimated_absorpt_T_min   0.536
_exptl_absorpt_coefficient_mu    3.562
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1603 before and 0.0863 after correction.
The Ratio of minimum to maximum transmission is 0.6644.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            78024
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.631
_diffrn_reflns_theta_min         2.467
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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                8225
_reflns_number_total             10131
_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       'Bruker APEX2'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.516
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         10131
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0277
_refine_ls_restrained_S_all      1.069
_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)+(0.0249P)²+2.3338P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0653
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C26(H26A,H26B), C33(H33A,H33B), C35(H35A,H35B), C37(H37A,H37B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C9(H9), C14(H14), C16(H16), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23), C25(H25), C27(H27), C29(H29), C32(H32)
2.c Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C30(H30A,H30B,H30C), C34(H34A,H34B,H34C), C36(H36A,H36B,
 H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.25286(2) 0.54727(2) 0.22374(2) 0.01795(5) Uani 1 1 d . . . . .
Dy2 Dy 0.42093(2) 0.32455(2) 0.27645(2) 0.02084(5) Uani 1 1 d . . . . .
Cl1 Cl 0.73311(10) -0.01597(7) 0.53084(6) 0.0380(2) Uani 1 1 d . . . . .
Cl2 Cl -0.13801(11) 0.94552(7) 0.31963(7) 0.0413(2) Uani 1 1 d . . . . .
O1 O 0.4689(2) 0.48541(15) 0.25883(13) 0.0200(5) Uani 1 1 d . . . . .
O2 O 0.2861(3) 0.51909(18) 0.08661(15) 0.0313(6) Uani 1 1 d . . . . .
O3 O 0.2149(2) 0.36939(15) 0.19519(13) 0.0205(5) Uani 1 1 d . . . . .
O4 O 0.5066(2) 0.21932(18) 0.35443(16) 0.0311(6) Uani 1 1 d . . . . .
O5 O 0.2017(2) 0.22076(17) 0.27554(15) 0.0278(5) Uani 1 1 d . . . . .
O6 O 0.4402(2) 0.66004(17) 0.34016(14) 0.0283(5) Uani 1 1 d . . . . .
O7 O 0.3630(3) 0.41010(19) 0.38660(15) 0.0351(6) Uani 1 1 d . . . . .
O8 O 0.1521(2) 0.68205(16) 0.24120(15) 0.0280(5) Uani 1 1 d . . . . .
O9 O 0.2093(3) 0.51192(18) 0.34083(15) 0.0323(6) Uani 1 1 d . . . . .
O10 O 0.4084(3) 0.6255(2) 0.04258(17) 0.0444(7) Uani 1 1 d . . . . .
O11 O 0.3920(3) 0.65933(18) 0.16615(15) 0.0314(6) Uani 1 1 d . . . . .
N1 N 0.6809(3) 0.3469(2) 0.29829(17) 0.0242(6) Uani 1 1 d . . . . .
N2 N 0.0112(3) 0.50644(19) 0.12783(16) 0.0212(6) Uani 1 1 d . . . . .
N3 N 0.3643(3) 0.6022(2) 0.09692(18) 0.0267(6) Uani 1 1 d . . . . .
C1 C -0.0315(3) 0.3259(2) 0.1174(2) 0.0214(7) Uani 1 1 d . . . . .
O12 O 0.4016(3) 0.2125(2) 0.16250(18) 0.0480(8) Uani 1 1 d . . . . .
C2 C 0.6235(3) 0.1881(2) 0.3910(2) 0.0224(7) Uani 1 1 d . . . . .
C3 C 0.0888(3) 0.3115(2) 0.1777(2) 0.0195(6) Uani 1 1 d . . . . .
C4 C 0.6203(3) 0.1117(2) 0.4366(2) 0.0241(7) Uani 1 1 d . . . . .
H4 H 0.5338 0.0828 0.4394 0.029 Uiso 1 1 calc R . . . .
C5 C 0.7227(3) 0.5257(3) 0.3021(2) 0.0243(7) Uani 1 1 d . . . . .
C6 C 0.5786(4) 0.6429(2) 0.3458(2) 0.0245(7) Uani 1 1 d . . . . .
C7 C -0.0956(3) 0.5554(2) 0.1216(2) 0.0235(7) Uani 1 1 d . . . . .
H7 H -0.1798 0.5264 0.0812 0.028 Uiso 1 1 calc R . . . .
C8 C 0.0256(3) 0.7102(2) 0.2284(2) 0.0213(7) Uani 1 1 d . . . . .
C9 C -0.1622(4) 0.2683(3) 0.1047(2) 0.0295(8) Uani 1 1 d . . . . .
H9 H -0.2424 0.2793 0.0655 0.035 Uiso 1 1 calc R . . . .
C10 C -0.0181(4) 0.4072(2) 0.0709(2) 0.0236(7) Uani 1 1 d . . . . .
H10A H 0.0587 0.3991 0.0470 0.028 Uiso 1 1 calc R . . . .
H10B H -0.1054 0.4033 0.0268 0.028 Uiso 1 1 calc R . . . .
C11 C 0.7583(3) 0.2294(2) 0.3885(2) 0.0227(7) Uani 1 1 d . . . . .
C12 C -0.0972(3) 0.6510(2) 0.1713(2) 0.0222(7) Uani 1 1 d . . . . .
C13 C 0.5888(3) 0.5504(2) 0.30136(19) 0.0214(7) Uani 1 1 d . . . . .
C14 C 0.7772(4) 0.3048(3) 0.3411(2) 0.0257(7) Uani 1 1 d . . . . .
H14 H 0.8699 0.3246 0.3420 0.031 Uiso 1 1 calc R . . . .
O13 O 0.2874(5) 0.1068(3) 0.0496(2) 0.0778(12) Uani 1 1 d . . . . .
C15 C 0.2774(4) 0.4708(3) 0.3961(2) 0.0330(8) Uani 1 1 d . . . . .
N4 N 0.3105(4) -0.0465(3) 0.1302(2) 0.0439(9) Uani 1 1 d . . . . .
C16 C 0.6985(4) 0.7107(3) 0.3892(2) 0.0347(9) Uani 1 1 d . . . . .
H16 H 0.6905 0.7726 0.4182 0.042 Uiso 1 1 calc R . . . .
C17 C 0.0757(3) 0.2348(2) 0.2209(2) 0.0237(7) Uani 1 1 d . . . . .
C18 C 0.7434(4) 0.0801(2) 0.4767(2) 0.0244(7) Uani 1 1 d . . . . .
C19 C -0.1738(4) 0.1952(3) 0.1493(3) 0.0380(9) Uani 1 1 d . . . . .
H19 H -0.2617 0.1578 0.1405 0.046 Uiso 1 1 calc R . . . .
C20 C 0.8808(4) 0.1948(3) 0.4321(2) 0.0290(8) Uani 1 1 d . . . . .
H20 H 0.9688 0.2229 0.4307 0.035 Uiso 1 1 calc R . . . .
C21 C 0.8763(4) 0.1209(3) 0.4770(2) 0.0283(8) Uani 1 1 d . . . . .
H21 H 0.9587 0.0996 0.5062 0.034 Uiso 1 1 calc R . . . .
C22 C 0.0098(4) 0.8030(2) 0.2722(2) 0.0259(7) Uani 1 1 d . . . . .
H22 H 0.0890 0.8447 0.3089 0.031 Uiso 1 1 calc R . . . .
C23 C -0.2299(4) 0.6843(3) 0.1625(2) 0.0304(8) Uani 1 1 d . . . . .
H23 H -0.3103 0.6445 0.1251 0.037 Uiso 1 1 calc R . . . .
C24 C 0.4188(5) 0.7266(3) 0.4078(2) 0.0391(9) Uani 1 1 d . . . . .
H24A H 0.3188 0.7250 0.4003 0.059 Uiso 1 1 calc GR . . . .
H24B H 0.4604 0.7937 0.4104 0.059 Uiso 1 1 calc GR . . . .
H24C H 0.4629 0.7055 0.4580 0.059 Uiso 1 1 calc GR . . . .
C25 C 0.8434(4) 0.5937(3) 0.3464(2) 0.0321(8) Uani 1 1 d . . . . .
H25 H 0.9329 0.5772 0.3474 0.039 Uiso 1 1 calc R . . . .
C26 C 0.7312(4) 0.4228(3) 0.2573(2) 0.0278(8) Uani 1 1 d . . . . .
H26A H 0.6725 0.4120 0.2006 0.033 Uiso 1 1 calc R . . . .
H26B H 0.8284 0.4172 0.2581 0.033 Uiso 1 1 calc R . . . .
C27 C -0.0541(4) 0.1773(3) 0.2076(2) 0.0318(8) Uani 1 1 d . . . . .
H27 H -0.0613 0.1272 0.2372 0.038 Uiso 1 1 calc R . . . .
C28 C -0.1227(4) 0.8318(3) 0.2607(2) 0.0287(8) Uani 1 1 d . . . . .
C29 C 0.8309(4) 0.6854(3) 0.3891(2) 0.0375(9) Uani 1 1 d . . . . .
H29 H 0.9121 0.7308 0.4180 0.045 Uiso 1 1 calc R . . . .
C30 C 0.2578(6) 0.4961(4) 0.4797(3) 0.0586(14) Uani 1 1 d . . . . .
H30A H 0.2400 0.4353 0.4984 0.088 Uiso 1 1 calc GR . . . .
H30B H 0.1785 0.5327 0.4767 0.088 Uiso 1 1 calc GR . . . .
H30C H 0.3422 0.5364 0.5174 0.088 Uiso 1 1 calc GR . . . .
C31 C 0.3500(5) 0.1940(3) 0.0883(3) 0.0448(11) Uani 1 1 d . . . . .
C32 C -0.2450(4) 0.7734(3) 0.2070(2) 0.0334(9) Uani 1 1 d . . . . .
H32 H -0.3339 0.7938 0.2014 0.040 Uiso 1 1 calc R . . . .
C33 C 0.4137(5) -0.0985(3) 0.0952(3) 0.0483(11) Uani 1 1 d . . . . .
H33A H 0.3740 -0.1170 0.0360 0.058 Uiso 1 1 calc R . . . .
H33B H 0.4285 -0.1596 0.1161 0.058 Uiso 1 1 calc R . . . .
C34 C 0.1911(5) 0.1773(4) 0.3435(3) 0.0563(13) Uani 1 1 d . . . . .
H34A H 0.2847 0.1746 0.3782 0.084 Uiso 1 1 calc GR . . . .
H34B H 0.1399 0.1106 0.3237 0.084 Uiso 1 1 calc GR . . . .
H34C H 0.1417 0.2175 0.3742 0.084 Uiso 1 1 calc GR . . . .
C35 C 0.3610(6) -0.0135(3) 0.2204(3) 0.0597(14) Uani 1 1 d . . . . .
H35A H 0.2884 0.0192 0.2377 0.072 Uiso 1 1 calc R . . . .
H35B H 0.4451 0.0359 0.2351 0.072 Uiso 1 1 calc R . . . .
C36 C 0.3963(6) -0.0975(3) 0.2673(3) 0.0568(13) Uani 1 1 d . . . . .
H36A H 0.3176 -0.1507 0.2485 0.085 Uiso 1 1 calc GR . . . .
H36B H 0.4143 -0.0720 0.3248 0.085 Uiso 1 1 calc GR . . . .
H36C H 0.4792 -0.1226 0.2582 0.085 Uiso 1 1 calc GR . . . .
C37 C 0.1665(6) -0.1098(4) 0.0967(4) 0.0672(15) Uani 1 1 d . . . . .
H37A H 0.1473 -0.1341 0.0383 0.081 Uiso 1 1 calc R . . . .
H37B H 0.1683 -0.1678 0.1224 0.081 Uiso 1 1 calc R . . . .
C38 C 0.5551(6) -0.0323(4) 0.1169(4) 0.0690(15) Uani 1 1 d . . . . .
H38A H 0.6130 -0.0632 0.0866 0.104 Uiso 1 1 calc GR . . . .
H38B H 0.6025 -0.0237 0.1745 0.104 Uiso 1 1 calc GR . . . .
H38C H 0.5396 0.0320 0.1032 0.104 Uiso 1 1 calc GR . . . .
C39 C 0.3475(8) 0.2728(4) 0.0388(4) 0.084(2) Uani 1 1 d . . . . .
H39A H 0.2585 0.2986 0.0302 0.125 Uiso 1 1 calc GR . . . .
H39B H 0.3585 0.2445 -0.0131 0.125 Uiso 1 1 calc GR . . . .
H39C H 0.4239 0.3262 0.0674 0.125 Uiso 1 1 calc GR . . . .
C40 C 0.0494(7) -0.0552(5) 0.1103(5) 0.090(2) Uani 1 1 d . . . . .
H40A H -0.0403 -0.0955 0.0804 0.135 Uiso 1 1 calc GR . . . .
H40B H 0.0546 0.0069 0.0915 0.135 Uiso 1 1 calc GR . . . .
H40C H 0.0582 -0.0415 0.1677 0.135 Uiso 1 1 calc GR . . . .
H4A H 0.313(5) 0.017(4) 0.113(3) 0.072(16) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.327(2) . ?
Dy1 O2 2.466(2) . ?
Dy1 O3 2.370(2) . ?
Dy1 O6 2.499(2) . ?
Dy1 O8 2.185(2) . ?
Dy1 O9 2.310(2) . ?
Dy1 O11 2.483(2) . ?
Dy1 N2 2.454(3) . ?
Dy2 O1 2.295(2) . ?
Dy2 O3 2.326(2) . ?
Dy2 O4 2.197(2) . ?
Dy2 O5 2.484(2) . ?
Dy2 O7 2.311(2) . ?
Dy2 N1 2.479(3) . ?
Dy2 O12 2.239(3) . ?
Cl1 C18 1.748(3) . ?
Cl2 C28 1.754(3) . ?
O1 C13 1.359(4) . ?
O2 N3 1.273(4) . ?
O3 C3 1.346(4) . ?
O4 C2 1.298(4) . ?
O5 C17 1.388(4) . ?
O5 C34 1.431(4) . ?
O6 C6 1.390(4) . ?
O6 C24 1.438(4) . ?
O7 C15 1.261(4) . ?
O8 C8 1.313(4) . ?
O9 C15 1.253(4) . ?
O10 N3 1.220(4) . ?
O11 N3 1.261(4) . ?
N1 C14 1.278(4) . ?
N1 C26 1.478(4) . ?
N2 C7 1.289(4) . ?
N2 C10 1.489(4) . ?
C1 C3 1.399(4) . ?
C1 C9 1.396(5) . ?
C1 C10 1.495(5) . ?
O12 C31 1.216(5) . ?
C2 C4 1.415(5) . ?
C2 C11 1.420(4) . ?
C3 C17 1.403(5) . ?
C4 C18 1.367(5) . ?
C5 C13 1.395(5) . ?
C5 C25 1.390(5) . ?
C5 C26 1.509(5) . ?
C6 C13 1.392(5) . ?
C6 C16 1.381(5) . ?
C7 C12 1.443(5) . ?
C8 C12 1.412(5) . ?
C8 C22 1.410(5) . ?
C9 C19 1.376(5) . ?
C11 C14 1.450(5) . ?
C11 C20 1.403(5) . ?
C12 C23 1.404(5) . ?
O13 C31 1.274(5) . ?
C15 C30 1.505(5) . ?
N4 C33 1.502(6) . ?
N4 C35 1.478(6) . ?
N4 C37 1.506(6) . ?
C16 C29 1.386(6) . ?
C17 C27 1.386(5) . ?
C18 C21 1.383(5) . ?
C19 C27 1.395(5) . ?
C20 C21 1.379(5) . ?
C22 C28 1.373(5) . ?
C23 C32 1.373(5) . ?
C25 C29 1.379(6) . ?
C28 C32 1.385(5) . ?
C31 C39 1.482(6) . ?
C33 C38 1.513(7) . ?
C35 C36 1.522(7) . ?
C37 C40 1.485(8) . ?

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 Dy1 O2 82.35(8) . . ?
O1 Dy1 O3 69.78(7) . . ?
O1 Dy1 O6 66.26(7) . . ?
O1 Dy1 O11 80.62(8) . . ?
O1 Dy1 N2 142.00(8) . . ?
O2 Dy1 O6 118.80(8) . . ?
O2 Dy1 O11 51.49(8) . . ?
O3 Dy1 O2 81.72(8) . . ?
O3 Dy1 O6 127.14(8) . . ?
O3 Dy1 O11 127.59(8) . . ?
O3 Dy1 N2 76.83(8) . . ?
O8 Dy1 O1 143.28(8) . . ?
O8 Dy1 O2 109.44(9) . . ?
O8 Dy1 O3 144.63(8) . . ?
O8 Dy1 O6 77.94(8) . . ?
O8 Dy1 O9 87.76(9) . . ?
O8 Dy1 O11 80.72(9) . . ?
O8 Dy1 N2 74.10(8) . . ?
O9 Dy1 O1 90.45(8) . . ?
O9 Dy1 O2 159.48(8) . . ?
O9 Dy1 O3 77.76(8) . . ?
O9 Dy1 O6 74.77(9) . . ?
O9 Dy1 O11 146.16(9) . . ?
O9 Dy1 N2 99.88(9) . . ?
O11 Dy1 O6 71.75(8) . . ?
N2 Dy1 O2 75.27(8) . . ?
N2 Dy1 O6 151.74(8) . . ?
N2 Dy1 O11 107.22(9) . . ?
O1 Dy2 O3 71.11(7) . . ?
O1 Dy2 O5 133.45(7) . . ?
O1 Dy2 O7 81.12(8) . . ?
O1 Dy2 N1 76.52(8) . . ?
O3 Dy2 O5 67.08(7) . . ?
O3 Dy2 N1 139.90(8) . . ?
O4 Dy2 O1 141.48(8) . . ?
O4 Dy2 O3 144.84(8) . . ?
O4 Dy2 O5 77.79(8) . . ?
O4 Dy2 O7 87.51(9) . . ?
O4 Dy2 N1 73.97(9) . . ?
O4 Dy2 O12 91.56(10) . . ?
O7 Dy2 O3 85.92(8) . . ?
O7 Dy2 O5 76.49(9) . . ?
O7 Dy2 N1 112.00(9) . . ?
N1 Dy2 O5 149.92(8) . . ?
O12 Dy2 O1 111.09(10) . . ?
O12 Dy2 O3 83.30(9) . . ?
O12 Dy2 O5 83.66(10) . . ?
O12 Dy2 O7 159.87(11) . . ?
O12 Dy2 N1 86.95(10) . . ?
Dy2 O1 Dy1 106.96(8) . . ?
C13 O1 Dy1 118.89(18) . . ?
C13 O1 Dy2 125.35(18) . . ?
N3 O2 Dy1 96.49(18) . . ?
Dy2 O3 Dy1 104.55(8) . . ?
C3 O3 Dy1 125.56(18) . . ?
C3 O3 Dy2 120.60(18) . . ?
C2 O4 Dy2 143.1(2) . . ?
C17 O5 Dy2 116.28(18) . . ?
C17 O5 C34 117.2(3) . . ?
C34 O5 Dy2 122.8(2) . . ?
C6 O6 Dy1 114.81(18) . . ?
C6 O6 C24 117.4(3) . . ?
C24 O6 Dy1 126.9(2) . . ?
C15 O7 Dy2 135.8(2) . . ?
C8 O8 Dy1 140.6(2) . . ?
C15 O9 Dy1 131.9(2) . . ?
N3 O11 Dy1 96.01(18) . . ?
C14 N1 Dy2 129.7(2) . . ?
C14 N1 C26 115.7(3) . . ?
C26 N1 Dy2 114.6(2) . . ?
C7 N2 Dy1 130.0(2) . . ?
C7 N2 C10 115.2(3) . . ?
C10 N2 Dy1 114.69(19) . . ?
O10 N3 O2 121.8(3) . . ?
O10 N3 O11 122.1(3) . . ?
O11 N3 O2 116.0(3) . . ?
C3 C1 C10 118.7(3) . . ?
C9 C1 C3 119.9(3) . . ?
C9 C1 C10 121.3(3) . . ?
C31 O12 Dy2 143.5(3) . . ?
O4 C2 C4 120.3(3) . . ?
O4 C2 C11 122.3(3) . . ?
C4 C2 C11 117.4(3) . . ?
O3 C3 C1 121.7(3) . . ?
O3 C3 C17 119.8(3) . . ?
C1 C3 C17 118.4(3) . . ?
C18 C4 C2 120.5(3) . . ?
C13 C5 C26 118.1(3) . . ?
C25 C5 C13 119.7(3) . . ?
C25 C5 C26 122.2(3) . . ?
O6 C6 C13 114.3(3) . . ?
C16 C6 O6 124.6(3) . . ?
C16 C6 C13 121.1(3) . . ?
N2 C7 C12 126.4(3) . . ?
O8 C8 C12 122.4(3) . . ?
O8 C8 C22 119.6(3) . . ?
C22 C8 C12 117.9(3) . . ?
C19 C9 C1 120.8(3) . . ?
N2 C10 C1 109.1(3) . . ?
C2 C11 C14 123.5(3) . . ?
C20 C11 C2 119.2(3) . . ?
C20 C11 C14 117.3(3) . . ?
C8 C12 C7 123.6(3) . . ?
C23 C12 C7 116.9(3) . . ?
C23 C12 C8 119.5(3) . . ?
O1 C13 C5 121.0(3) . . ?
O1 C13 C6 119.8(3) . . ?
C6 C13 C5 119.2(3) . . ?
N1 C14 C11 127.3(3) . . ?
O7 C15 C30 117.5(3) . . ?
O9 C15 O7 124.1(3) . . ?
O9 C15 C30 118.3(3) . . ?
C33 N4 C37 109.0(3) . . ?
C35 N4 C33 114.1(4) . . ?
C35 N4 C37 114.9(4) . . ?
C6 C16 C29 119.2(4) . . ?
O5 C17 C3 114.9(3) . . ?
C27 C17 O5 123.7(3) . . ?
C27 C17 C3 121.4(3) . . ?
C4 C18 Cl1 118.6(3) . . ?
C4 C18 C21 123.2(3) . . ?
C21 C18 Cl1 118.2(3) . . ?
C9 C19 C27 120.2(3) . . ?
C21 C20 C11 122.8(3) . . ?
C20 C21 C18 116.9(3) . . ?
C28 C22 C8 119.9(3) . . ?
C32 C23 C12 122.3(3) . . ?
C29 C25 C5 120.2(3) . . ?
N1 C26 C5 108.7(3) . . ?
C17 C27 C19 119.2(3) . . ?
C22 C28 Cl2 118.3(3) . . ?
C22 C28 C32 123.0(3) . . ?
C32 C28 Cl2 118.6(3) . . ?
C25 C29 C16 120.7(3) . . ?
O12 C31 O13 121.5(4) . . ?
O12 C31 C39 122.0(4) . . ?
O13 C31 C39 116.4(4) . . ?
C23 C32 C28 117.3(3) . . ?
N4 C33 C38 111.7(4) . . ?
N4 C35 C36 114.6(4) . . ?
C40 C37 N4 113.4(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_t11
_database_code_depnum_ccdc_archive 'CCDC 1969137'
loop_
_audit_author_name
_audit_author_address
'Yuan Huang'
;Soochow university
China
;
_audit_update_record             
;
2020-06-05 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;
_audit_creation_date             2020-06-04
_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         'C47 H43 Cl3 Dy2 N4 O13, 0.5(C2 H5 O)'
_chemical_formula_sum            'C48 H45.50 Cl3 Dy2 N4 O13.50'
_chemical_formula_weight         1325.73
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8154(6)
_cell_length_b                   15.4086(9)
_cell_length_c                   19.4191(12)
_cell_angle_alpha                68.245(2)
_cell_angle_beta                 75.962(2)
_cell_angle_gamma                79.189(2)
_cell_volume                     2630.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9538
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.036
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1514 before and 0.0866 after correction.
The Ratio of minimum to maximum transmission is 0.6355.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1305
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            97882
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.588
_diffrn_reflns_theta_min         2.151
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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                10088
_reflns_number_total             12144
_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         1.550
_refine_diff_density_min         -1.094
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     661
_refine_ls_number_reflns         12144
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0296
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0281P)²+7.4032P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0803
_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
 O12-H12
 0.85 with sigma of 0.01
 C49-O14
 2.45 with sigma of 0.01
 C42-H12
 1.927201 with sigma of 0.02
 Dy2-H12
 2.95214 with sigma of 0.02
3. Rigid bond restraints
 C46
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C44, C45, C46
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
C46: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C44 \\sim C45 \\sim C46: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002
Uanis(C46) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C44) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O14) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C49) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C46
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C44, C45, C46
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O14, C48, C49
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0001
6. Others
 Fixed Sof: O14(0.5) C48(0.5) H48A(0.5) H48B(0.5) C49(0.5) H49A(0.5) H49B(0.5)
 H49C(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C17(H17A,H17B), C40(H40A,H40B), C42(H42A,H42B), C48(H48A,H48B)
7.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C6(H6), C8(H8), C14(H14), C15(H15), C20(H20), C21(H21),
 C25(H25), C27(H27), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C37(H37),
  C39(H39), C41(H41), C44(H44), C45(H45), C46(H46)
7.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C38(H38A,H38B,H38C), C43(H43A,H43B,H43C), C47(H47A,H47B,
 H47C), C49(H49A,H49B,H49C)
;
_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 0.38234(2) 0.73756(2) 0.62081(2) 0.01873(5) Uani 1 1 d . . . . .
Dy2 Dy 0.19622(2) 0.74821(2) 0.81288(2) 0.02450(5) Uani 1 1 d D . . . .
Cl1 Cl 0.31478(13) 0.75321(10) 0.30776(6) 0.0486(3) Uani 1 1 d . . . . .
Cl2 Cl 0.10930(16) 0.84477(11) 1.15787(7) 0.0602(4) Uani 1 1 d . . . . .
Cl3 Cl 0.81345(19) 0.73732(12) 0.26423(8) 0.0788(5) Uani 1 1 d . . . . .
O1 O 0.5206(3) 0.74450(18) 0.51285(15) 0.0282(6) Uani 1 1 d . . . . .
O2 O 0.1950(3) 0.81655(17) 0.68306(14) 0.0241(5) Uani 1 1 d . . . . .
O3 O 0.3470(3) 0.65733(17) 0.74709(13) 0.0227(5) Uani 1 1 d . . . . .
O4 O 0.1756(3) 0.5875(2) 0.90943(15) 0.0327(6) Uani 1 1 d . . . . .
O5 O 0.0234(3) 0.67479(19) 0.80704(15) 0.0315(6) Uani 1 1 d . . . . .
O6 O 0.1828(3) 0.7747(2) 0.91772(16) 0.0389(7) Uani 1 1 d . . . . .
O7 O 0.1996(3) 0.70217(19) 0.58667(14) 0.0266(5) Uani 1 1 d . . . . .
O8 O 0.4427(3) 0.6829(2) 0.85069(16) 0.0329(6) Uani 1 1 d . . . . .
O9 O 0.5099(3) 0.84279(19) 0.64463(16) 0.0323(6) Uani 1 1 d . . . . .
O10 O 0.3137(3) 0.90096(19) 0.54129(15) 0.0323(6) Uani 1 1 d . . . . .
O11 O 0.6311(3) 0.7085(2) 0.65208(17) 0.0351(6) Uani 1 1 d . . . . .
O12 O 0.3381(4) 0.8798(2) 0.76762(18) 0.0410(7) Uani 1 1 d D . . . .
H12 H 0.406(4) 0.880(2) 0.730(2) 0.061 Uiso 1 1 d DR . . . .
O13 O 0.7177(4) 0.8125(3) 0.6751(3) 0.0679(12) Uani 1 1 d . . . . .
N1 N 0.4667(3) 0.5696(2) 0.63163(17) 0.0232(6) Uani 1 1 d . . . . .
N2 N -0.0085(4) 0.8644(2) 0.81810(19) 0.0317(7) Uani 1 1 d . . . . .
N3 N -0.0322(3) 0.6261(2) 0.67100(18) 0.0276(7) Uani 1 1 d . . . . .
N4 N 0.6247(4) 0.7877(3) 0.6581(2) 0.0356(8) Uani 1 1 d . . . . .
C1 C 0.5500(4) 0.5386(3) 0.5822(2) 0.0245(7) Uani 1 1 d . . . . .
H1 H 0.5711 0.4737 0.5963 0.029 Uiso 1 1 calc R . . . .
C2 C 0.6157(4) 0.5930(3) 0.5063(2) 0.0239(7) Uani 1 1 d . . . . .
C3 C 0.4753(4) 0.5047(3) 0.7661(2) 0.0242(7) Uani 1 1 d . . . . .
C4 C -0.0734(4) 0.8923(3) 0.8734(2) 0.0347(9) Uani 1 1 d . . . . .
H4 H -0.1600 0.9283 0.8679 0.042 Uiso 1 1 calc R . . . .
C5 C 0.4924(4) 0.5981(3) 0.8387(2) 0.0256(7) Uani 1 1 d . . . . .
C6 C 0.2478(4) 0.7246(3) 0.4562(2) 0.0262(8) Uani 1 1 d . . . . .
H6 H 0.3300 0.7515 0.4483 0.031 Uiso 1 1 calc R . . . .
C7 C 0.1337(4) 0.9016(3) 0.6464(2) 0.0302(8) Uani 1 1 d . . . . .
C8 C 0.7614(4) 0.5848(3) 0.3878(2) 0.0358(10) Uani 1 1 d . . . . .
H8 H 0.8164 0.5498 0.3588 0.043 Uiso 1 1 calc R . . . .
C9 C 0.4156(4) 0.4971(3) 0.7045(2) 0.0275(8) Uani 1 1 d . . . . .
H9A H 0.4445 0.4351 0.7006 0.033 Uiso 1 1 calc R . . . .
H9B H 0.3132 0.5057 0.7165 0.033 Uiso 1 1 calc R . . . .
C10 C 0.4368(4) 0.5873(2) 0.78315(19) 0.0209(7) Uani 1 1 d . . . . .
C11 C 0.0352(4) 0.5820(3) 0.8310(2) 0.0266(8) Uani 1 1 d . . . . .
C12 C 0.1184(4) 0.5295(3) 0.8862(2) 0.0306(8) Uani 1 1 d . . . . .
C13 C -0.0268(4) 0.8738(3) 0.9435(2) 0.0338(9) Uani 1 1 d . . . . .
C14 C 0.6991(4) 0.5417(3) 0.4615(2) 0.0314(9) Uani 1 1 d . . . . .
H14 H 0.7126 0.4765 0.4823 0.038 Uiso 1 1 calc R . . . .
C15 C -0.0509(4) 0.6202(3) 0.6097(2) 0.0302(8) Uani 1 1 d . . . . .
H15 H -0.1287 0.5918 0.6123 0.036 Uiso 1 1 calc R . . . .
C16 C 0.0080(5) 0.9434(3) 0.6792(3) 0.0419(11) Uani 1 1 d . . . . .
C17 C -0.0788(4) 0.8896(3) 0.7530(2) 0.0387(10) Uani 1 1 d . . . . .
H17A H -0.1680 0.9271 0.7619 0.046 Uiso 1 1 calc R . . . .
H17B H -0.0995 0.8324 0.7494 0.046 Uiso 1 1 calc R . . . .
C18 C 0.2257(5) 0.5454(3) 0.9792(2) 0.0396(10) Uani 1 1 d . . . . .
H18A H 0.3088 0.5027 0.9730 0.059 Uiso 1 1 calc GR . . . .
H18B H 0.1538 0.5118 1.0177 0.059 Uiso 1 1 calc GR . . . .
H18C H 0.2483 0.5936 0.9935 0.059 Uiso 1 1 calc GR . . . .
C19 C 0.0395(4) 0.6541(3) 0.5378(2) 0.0283(8) Uani 1 1 d . . . . .
C20 C 0.6196(4) 0.4453(3) 0.8613(2) 0.0356(9) Uani 1 1 d . . . . .
H20 H 0.6795 0.3972 0.8881 0.043 Uiso 1 1 calc R . . . .
C21 C 0.1410(5) 0.8120(3) 1.0281(2) 0.0366(9) Uani 1 1 d . . . . .
H21 H 0.2269 0.7791 1.0397 0.044 Uiso 1 1 calc R . . . .
C22 C 0.1012(4) 0.8184(3) 0.9613(2) 0.0322(9) Uani 1 1 d . . . . .
C23 C 0.1642(4) 0.6947(2) 0.5290(2) 0.0228(7) Uani 1 1 d . . . . .
C24 C 0.1969(5) 0.9500(3) 0.5723(2) 0.0409(11) Uani 1 1 d . . . . .
C25 C 0.5838(4) 0.5284(3) 0.8776(2) 0.0327(9) Uani 1 1 d . . . . .
H25 H 0.6211 0.5366 0.9142 0.039 Uiso 1 1 calc R . . . .
C26 C 0.5980(4) 0.6919(3) 0.4755(2) 0.0254(8) Uani 1 1 d . . . . .
C27 C 0.1389(5) 0.4333(3) 0.9111(3) 0.0389(10) Uani 1 1 d . . . . .
H27 H 0.1946 0.4008 0.9472 0.047 Uiso 1 1 calc R . . . .
C28 C -0.0298(4) 0.5314(3) 0.8035(2) 0.0297(8) Uani 1 1 d . . . . .
C29 C 0.2083(4) 0.7141(3) 0.3971(2) 0.0331(9) Uani 1 1 d . . . . .
C30 C -0.0075(5) 0.4338(3) 0.8284(3) 0.0382(10) Uani 1 1 d . . . . .
H30 H -0.0493 0.4010 0.8087 0.046 Uiso 1 1 calc R . . . .
C31 C 0.5676(4) 0.4335(3) 0.8060(2) 0.0303(8) Uani 1 1 d . . . . .
H31 H 0.5938 0.3782 0.7951 0.036 Uiso 1 1 calc R . . . .
C32 C -0.0757(5) 0.9025(4) 1.0628(3) 0.0474(12) Uani 1 1 d . . . . .
H32 H -0.1359 0.9272 1.0976 0.057 Uiso 1 1 calc R . . . .
C33 C 0.7400(5) 0.6813(4) 0.3581(2) 0.0413(10) Uani 1 1 d . . . . .
C34 C -0.1123(5) 0.9132(4) 0.9957(3) 0.0425(11) Uani 1 1 d . . . . .
H34 H -0.1975 0.9481 0.9847 0.051 Uiso 1 1 calc R . . . .
C35 C 0.0756(5) 0.3846(3) 0.8818(3) 0.0441(11) Uani 1 1 d . . . . .
H35 H 0.0892 0.3193 0.8980 0.053 Uiso 1 1 calc R . . . .
C36 C 0.0534(5) 0.8540(3) 1.0763(2) 0.0417(11) Uani 1 1 d . . . . .
C37 C 0.0056(5) 0.6441(4) 0.4748(3) 0.0408(10) Uani 1 1 d . . . . .
H37 H -0.0752 0.6164 0.4813 0.049 Uiso 1 1 calc R . . . .
C38 C 0.3778(6) 0.9477(4) 0.4644(3) 0.0568(15) Uani 1 1 d . . . . .
H38A H 0.4098 1.0049 0.4604 0.085 Uiso 1 1 calc GR . . . .
H38B H 0.3098 0.9621 0.4325 0.085 Uiso 1 1 calc GR . . . .
H38C H 0.4567 0.9075 0.4488 0.085 Uiso 1 1 calc GR . . . .
C39 C 0.6635(4) 0.7352(3) 0.3994(2) 0.0377(10) Uani 1 1 d . . . . .
H39 H 0.6543 0.8004 0.3776 0.045 Uiso 1 1 calc R . . . .
C40 C -0.1210(4) 0.5875(3) 0.7463(2) 0.0321(9) Uani 1 1 d . . . . .
H40A H -0.1843 0.5475 0.7442 0.039 Uiso 1 1 calc R . . . .
H40B H -0.1779 0.6385 0.7614 0.039 Uiso 1 1 calc R . . . .
C41 C 0.0877(5) 0.6736(4) 0.4048(3) 0.0437(11) Uani 1 1 d . . . . .
H41 H 0.0639 0.6670 0.3636 0.052 Uiso 1 1 calc R . . . .
C42 C 0.3121(7) 0.9713(4) 0.7753(4) 0.0752(19) Uani 1 1 d D . . . .
H42A H 0.2555 0.9663 0.8248 0.090 Uiso 1 1 calc R . . . .
H42B H 0.2580 1.0135 0.7379 0.090 Uiso 1 1 calc R . . . .
C43 C 0.5126(5) 0.7097(4) 0.8955(3) 0.0490(12) Uani 1 1 d . . . . .
H43A H 0.4758 0.7724 0.8945 0.073 Uiso 1 1 calc GR . . . .
H43B H 0.6122 0.7076 0.8753 0.073 Uiso 1 1 calc GR . . . .
H43C H 0.4966 0.6671 0.9466 0.073 Uiso 1 1 calc GR . . . .
C44 C 0.1439(8) 1.0397(4) 0.5331(4) 0.0865(14) Uani 1 1 d . U . . .
H44 H 0.1871 1.0711 0.4839 0.104 Uiso 1 1 calc R . . . .
C45 C -0.0432(8) 1.0340(4) 0.6393(4) 0.0859(14) Uani 1 1 d . U . . .
H45 H -0.1254 1.0625 0.6612 0.103 Uiso 1 1 calc R . . . .
C46 C 0.0244(8) 1.0823(4) 0.5686(4) 0.0872(14) Uani 1 1 d . U . . .
H46 H -0.0096 1.1440 0.5441 0.105 Uiso 1 1 calc R . . . .
C47 C 0.4422(10) 1.0117(6) 0.7662(6) 0.106(3) Uani 1 1 d . . . . .
H47A H 0.5004 1.0149 0.7180 0.159 Uiso 1 1 calc GR . . . .
H47B H 0.4927 0.9730 0.8056 0.159 Uiso 1 1 calc GR . . . .
H47C H 0.4187 1.0739 0.7689 0.159 Uiso 1 1 calc GR . . . .
O14 O 0.474(2) 0.1252(12) 1.0253(8) 0.164(4) Uani 0.5 1 d D U P . .
C48 C 0.4452(17) 0.1950(13) 0.9518(10) 0.107(3) Uani 0.5 1 d . U P . .
H48A H 0.3467 0.2205 0.9582 0.128 Uiso 0.5 1 calc R . P . .
H48B H 0.5020 0.2464 0.9369 0.128 Uiso 0.5 1 calc R . P . .
C49 C 0.4744(16) 0.1569(13) 0.8945(7) 0.105(3) Uani 0.5 1 d D U P . .
H49A H 0.5226 0.1997 0.8491 0.158 Uiso 0.5 1 calc GR . P . .
H49B H 0.3877 0.1463 0.8859 0.158 Uiso 0.5 1 calc GR . P . .
H49C H 0.5332 0.0983 0.9091 0.158 Uiso 0.5 1 calc GR . P . .
H3 H 0.035(6) 0.659(4) 0.668(3) 0.050(15) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.7830(3) . ?
Dy1 O1 2.181(3) . ?
Dy1 O2 2.344(2) . ?
Dy1 O3 2.272(2) . ?
Dy1 O7 2.273(2) . ?
Dy1 O9 2.452(3) . ?
Dy1 O10 2.483(3) . ?
Dy1 O11 2.576(3) . ?
Dy1 N1 2.511(3) . ?
Dy2 O2 2.346(2) . ?
Dy2 O3 2.327(2) . ?
Dy2 O4 2.500(3) . ?
Dy2 O5 2.253(3) . ?
Dy2 O6 2.190(3) . ?
Dy2 O8 2.609(3) . ?
Dy2 O12 2.443(3) . ?
Dy2 N2 2.437(3) . ?
Cl1 C29 1.745(4) . ?
Cl2 C36 1.748(5) . ?
Cl3 C33 1.737(5) . ?
O1 C26 1.303(4) . ?
O2 C7 1.344(4) . ?
O3 C10 1.347(4) . ?
O4 C12 1.389(5) . ?
O4 C18 1.432(5) . ?
O5 C11 1.321(5) . ?
O6 C22 1.304(5) . ?
O7 C23 1.299(4) . ?
O8 C5 1.389(5) . ?
O8 C43 1.435(5) . ?
O9 N4 1.295(4) . ?
O10 C24 1.388(5) . ?
O10 C38 1.436(5) . ?
O11 N4 1.258(4) . ?
O12 C42 1.441(6) . ?
O13 N4 1.207(5) . ?
N1 C1 1.277(5) . ?
N1 C9 1.482(5) . ?
N2 C4 1.284(5) . ?
N2 C17 1.478(5) . ?
N3 C15 1.285(5) . ?
N3 C40 1.478(5) . ?
C1 C2 1.455(5) . ?
C2 C14 1.405(5) . ?
C2 C26 1.409(5) . ?
C3 C9 1.503(5) . ?
C3 C10 1.394(5) . ?
C3 C31 1.401(5) . ?
C4 C13 1.453(6) . ?
C5 C10 1.394(5) . ?
C5 C25 1.377(5) . ?
C6 C23 1.407(5) . ?
C6 C29 1.369(5) . ?
C7 C16 1.402(6) . ?
C7 C24 1.399(6) . ?
C8 C14 1.373(6) . ?
C8 C33 1.376(7) . ?
C11 C12 1.416(5) . ?
C11 C28 1.400(6) . ?
C12 C27 1.370(6) . ?
C13 C22 1.419(6) . ?
C13 C34 1.398(6) . ?
C15 C19 1.429(6) . ?
C16 C17 1.504(7) . ?
C16 C45 1.387(7) . ?
C19 C23 1.423(5) . ?
C19 C37 1.410(5) . ?
C20 C25 1.393(6) . ?
C20 C31 1.374(6) . ?
C21 C22 1.409(6) . ?
C21 C36 1.373(6) . ?
C24 C44 1.380(7) . ?
C26 C39 1.419(5) . ?
C27 C35 1.391(7) . ?
C28 C30 1.391(6) . ?
C28 C40 1.503(5) . ?
C29 C41 1.390(6) . ?
C30 C35 1.383(7) . ?
C32 C34 1.378(7) . ?
C32 C36 1.376(7) . ?
C33 C39 1.365(6) . ?
C37 C41 1.361(6) . ?
C42 C47 1.469(10) . ?
C44 C46 1.391(8) . ?
C45 C46 1.365(9) . ?
O14 C48 1.49(2) . ?
C48 C49 1.39(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
O1 Dy1 Dy2 169.00(7) . . ?
O1 Dy1 O2 145.06(9) . . ?
O1 Dy1 O3 144.30(9) . . ?
O1 Dy1 O7 92.14(10) . . ?
O1 Dy1 O9 94.13(10) . . ?
O1 Dy1 O10 78.97(9) . . ?
O1 Dy1 O11 77.07(10) . . ?
O1 Dy1 N1 74.84(10) . . ?
O2 Dy1 Dy2 36.27(6) . . ?
O2 Dy1 O9 79.45(9) . . ?
O2 Dy1 O10 66.33(9) . . ?
O2 Dy1 O11 120.55(9) . . ?
O2 Dy1 N1 136.25(9) . . ?
O3 Dy1 Dy2 35.14(6) . . ?
O3 Dy1 O2 70.24(9) . . ?
O3 Dy1 O7 102.09(9) . . ?
O3 Dy1 O9 87.25(9) . . ?
O3 Dy1 O10 134.42(9) . . ?
O3 Dy1 O11 76.41(9) . . ?
O3 Dy1 N1 75.48(9) . . ?
O7 Dy1 Dy2 98.54(6) . . ?
O7 Dy1 O2 80.96(9) . . ?
O7 Dy1 O9 153.94(9) . . ?
O7 Dy1 O10 84.36(10) . . ?
O7 Dy1 O11 154.97(9) . . ?
O7 Dy1 N1 80.50(9) . . ?
O9 Dy1 Dy2 75.11(7) . . ?
O9 Dy1 O10 72.11(9) . . ?
O9 Dy1 O11 50.75(9) . . ?
O9 Dy1 N1 125.54(9) . . ?
O10 Dy1 Dy2 99.42(6) . . ?
O10 Dy1 O11 114.89(9) . . ?
O10 Dy1 N1 149.07(9) . . ?
O11 Dy1 Dy2 94.02(7) . . ?
N1 Dy1 Dy2 109.37(7) . . ?
N1 Dy1 O11 74.92(9) . . ?
O2 Dy2 Dy1 36.23(6) . . ?
O2 Dy2 O4 135.76(9) . . ?
O2 Dy2 O8 116.32(9) . . ?
O2 Dy2 O12 74.64(10) . . ?
O2 Dy2 N2 81.48(10) . . ?
O3 Dy2 Dy1 34.19(6) . . ?
O3 Dy2 O2 69.28(8) . . ?
O3 Dy2 O4 79.37(9) . . ?
O3 Dy2 O8 63.09(8) . . ?
O3 Dy2 O12 97.18(10) . . ?
O3 Dy2 N2 148.34(10) . . ?
O4 Dy2 Dy1 111.57(7) . . ?
O4 Dy2 O8 72.28(9) . . ?
O5 Dy2 Dy1 88.46(7) . . ?
O5 Dy2 O2 80.94(9) . . ?
O5 Dy2 O3 85.30(10) . . ?
O5 Dy2 O4 65.74(9) . . ?
O5 Dy2 O8 131.24(9) . . ?
O5 Dy2 O12 152.66(10) . . ?
O5 Dy2 N2 78.19(11) . . ?
O6 Dy2 Dy1 153.68(9) . . ?
O6 Dy2 O2 145.61(10) . . ?
O6 Dy2 O3 136.53(10) . . ?
O6 Dy2 O4 78.04(11) . . ?
O6 Dy2 O5 117.46(11) . . ?
O6 Dy2 O8 74.81(10) . . ?
O6 Dy2 O12 78.96(11) . . ?
O6 Dy2 N2 75.07(11) . . ?
O8 Dy2 Dy1 84.70(6) . . ?
O12 Dy2 Dy1 79.14(7) . . ?
O12 Dy2 O4 141.55(10) . . ?
O12 Dy2 O8 72.18(10) . . ?
N2 Dy2 Dy1 117.70(8) . . ?
N2 Dy2 O4 116.70(11) . . ?
N2 Dy2 O8 145.61(10) . . ?
N2 Dy2 O12 86.12(12) . . ?
C26 O1 Dy1 142.3(2) . . ?
Dy1 O2 Dy2 107.50(9) . . ?
C7 O2 Dy1 121.8(2) . . ?
C7 O2 Dy2 127.7(2) . . ?
Dy1 O3 Dy2 110.67(10) . . ?
C10 O3 Dy1 125.5(2) . . ?
C10 O3 Dy2 118.9(2) . . ?
C12 O4 Dy2 112.6(2) . . ?
C12 O4 C18 116.9(3) . . ?
C18 O4 Dy2 130.1(3) . . ?
C11 O5 Dy2 119.6(2) . . ?
C22 O6 Dy2 141.6(3) . . ?
C23 O7 Dy1 141.2(2) . . ?
C5 O8 Dy2 111.4(2) . . ?
C5 O8 C43 117.8(3) . . ?
C43 O8 Dy2 129.1(3) . . ?
N4 O9 Dy1 99.4(2) . . ?
C24 O10 Dy1 117.1(2) . . ?
C24 O10 C38 116.6(3) . . ?
C38 O10 Dy1 126.2(3) . . ?
N4 O11 Dy1 94.5(2) . . ?
C42 O12 Dy2 133.0(3) . . ?
C1 N1 Dy1 128.0(3) . . ?
C1 N1 C9 115.6(3) . . ?
C9 N1 Dy1 116.4(2) . . ?
C4 N2 Dy2 129.0(3) . . ?
C4 N2 C17 117.8(3) . . ?
C17 N2 Dy2 112.0(2) . . ?
C15 N3 C40 125.1(3) . . ?
O11 N4 O9 115.4(3) . . ?
O13 N4 O9 121.1(4) . . ?
O13 N4 O11 123.5(4) . . ?
N1 C1 C2 127.6(3) . . ?
C14 C2 C1 116.5(3) . . ?
C14 C2 C26 119.2(4) . . ?
C26 C2 C1 124.2(3) . . ?
C10 C3 C9 117.6(3) . . ?
C10 C3 C31 119.3(3) . . ?
C31 C3 C9 123.1(3) . . ?
N2 C4 C13 127.3(4) . . ?
O8 C5 C10 113.1(3) . . ?
C25 C5 O8 125.6(3) . . ?
C25 C5 C10 121.3(4) . . ?
C29 C6 C23 120.1(4) . . ?
O2 C7 C16 122.7(4) . . ?
O2 C7 C24 118.7(3) . . ?
C24 C7 C16 118.6(4) . . ?
C14 C8 C33 117.9(4) . . ?
N1 C9 C3 109.9(3) . . ?
O3 C10 C3 121.6(3) . . ?
O3 C10 C5 119.0(3) . . ?
C5 C10 C3 119.4(3) . . ?
O5 C11 C12 119.7(4) . . ?
O5 C11 C28 123.0(3) . . ?
C28 C11 C12 117.3(4) . . ?
O4 C12 C11 111.7(3) . . ?
C27 C12 O4 126.0(4) . . ?
C27 C12 C11 122.4(4) . . ?
C22 C13 C4 123.4(4) . . ?
C34 C13 C4 118.0(4) . . ?
C34 C13 C22 118.6(4) . . ?
C8 C14 C2 122.0(4) . . ?
N3 C15 C19 124.5(4) . . ?
C7 C16 C17 121.6(4) . . ?
C45 C16 C7 118.9(5) . . ?
C45 C16 C17 119.3(4) . . ?
N2 C17 C16 113.5(4) . . ?
C23 C19 C15 121.7(3) . . ?
C37 C19 C15 118.7(4) . . ?
C37 C19 C23 119.6(4) . . ?
C31 C20 C25 120.8(4) . . ?
C36 C21 C22 120.2(4) . . ?
O6 C22 C13 122.4(4) . . ?
O6 C22 C21 119.4(4) . . ?
C21 C22 C13 118.1(4) . . ?
O7 C23 C6 121.7(3) . . ?
O7 C23 C19 120.7(3) . . ?
C6 C23 C19 117.5(3) . . ?
O10 C24 C7 115.4(3) . . ?
C44 C24 O10 123.0(4) . . ?
C44 C24 C7 121.6(4) . . ?
C5 C25 C20 118.9(4) . . ?
O1 C26 C2 123.1(3) . . ?
O1 C26 C39 119.0(4) . . ?
C2 C26 C39 117.9(3) . . ?
C12 C27 C35 119.4(4) . . ?
C11 C28 C40 117.0(4) . . ?
C30 C28 C11 120.1(4) . . ?
C30 C28 C40 122.8(4) . . ?
C6 C29 Cl1 118.3(3) . . ?
C6 C29 C41 123.1(4) . . ?
C41 C29 Cl1 118.6(3) . . ?
C35 C30 C28 121.2(4) . . ?
C20 C31 C3 120.2(4) . . ?
C36 C32 C34 117.6(4) . . ?
C8 C33 Cl3 118.9(3) . . ?
C39 C33 Cl3 118.4(4) . . ?
C39 C33 C8 122.8(4) . . ?
C32 C34 C13 122.7(5) . . ?
C30 C35 C27 119.7(4) . . ?
C21 C36 Cl2 118.2(4) . . ?
C21 C36 C32 122.6(4) . . ?
C32 C36 Cl2 119.3(3) . . ?
C41 C37 C19 121.9(4) . . ?
C33 C39 C26 120.0(4) . . ?
N3 C40 C28 110.2(3) . . ?
C37 C41 C29 117.7(4) . . ?
O12 C42 C47 113.2(6) . . ?
C24 C44 C46 118.6(6) . . ?
C46 C45 C16 121.5(5) . . ?
C45 C46 C44 120.4(5) . . ?
C49 C48 O14 113.0(16) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
