# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2455154'
loop_
_audit_author_name
_audit_author_address
'Yehui Qin'
;Nanjing University
China
;
_audit_update_record             
;
2025-05-29 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;
_audit_creation_date             2025-03-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C74 H98 Dy2 N4 O18 P4 S4'
_chemical_formula_sum            'C74 H98 Dy2 N4 O18 P4 S4'
_chemical_formula_weight         1908.68
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   11.684(5)
_cell_length_b                   11.772(6)
_cell_length_c                   15.675(7)
_cell_angle_alpha                79.612(16)
_cell_angle_beta                 88.653(14)
_cell_angle_gamma                72.481(17)
_cell_volume                     2021.1(17)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8142
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.3
_shelx_estimated_absorpt_T_max   0.885
_shelx_estimated_absorpt_T_min   0.788
_exptl_absorpt_coefficient_mu    2.085
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             970
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0690
_diffrn_reflns_av_unetI/netI     0.1012
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15846
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.171
_diffrn_ambient_temperature      193.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_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                6671
_reflns_number_total             8142
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.188
_refine_diff_density_min         -1.709
_refine_diff_density_rms         0.227
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         8142
_refine_ls_number_restraints     433
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0748
_refine_ls_restrained_S_all      1.056
_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)+(0.1518P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1960
_refine_ls_wR_factor_ref         0.2200
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H1A(0.05) H1B(0.05) H4(0.08) H5(0.095) H6(0.103) H7(0.101)
 H9(0.089) H11(0.098) H12(0.1) H13(0.093) H14(0.079) H16A(0.075) H16B(0.075)
 H17A(0.144) H17B(0.144) H17C(0.144) H18A(0.071) H18B(0.071) H19A(0.11)
 H19B(0.11) H19C(0.11) H22A(0.091) H22B(0.091) H22C(0.091) H25(0.047)
 H27(0.042) H29A(0.069) H29B(0.069) H29C(0.069) H30A(0.071) H30B(0.071)
 H30C(0.071) H31A(0.089) H31B(0.089) H32A(0.139) H32B(0.139) H32C(0.139)
 H33A(0.137) H33B(0.137) H34A(0.157) H34B(0.157) H34C(0.157) H35A(0.092)
 H35B(0.092) H36A(0.145) H36B(0.145) H36C(0.145) H37A(0.072) H37B(0.072)
 Fixed X: H1A(0.432889) H1B(0.572822) H4(0.729587) H5(0.91587) H6(0.942545)
 H7(0.791948) H9(0.579167) H11(0.359842) H12(0.175144) H13(0.133473)
 H14(0.294503) H16A(0.564692) H16B(0.635771) H17A(0.723457) H17B(0.778979)
 H17C(0.790026) H18A(0.45855) H18B(0.322736) H19A(0.406752) H19B(0.308434)
 H19C(0.273787) H22A(0.037478) H22B(0.11272) H22C(0.10053) H25(0.067833)
 H27(0.302674) H29A(0.521636) H29B(0.587659) H29C(0.447597) H30A(0.096156)
 H30B(0.078904) H30C(-0.001873) H31A(0.062922) H31B(-0.050734) H32A(-0.007716)
 H32B(-0.065021) H32C(0.075978) H33A(-0.063348) H33B(0.035556) H34A(-0.149107)
 H34B(-0.13863) H34C(-0.045012) H35A(0.382721) H35B(0.374545) H36A(0.315718)
 H36B(0.395071) H36C(0.251973) H37A(0.063551) H37B(0.176695)
 Fixed Y: H1A(0.194081) H1B(0.177121) H4(0.182279) H5(0.150717) H6(0.090174)
 H7(0.066689) H9(0.073269) H11(0.086014) H12(0.141179) H13(0.213685)
 H14(0.220443) H16A(0.576419) H16B(0.489495) H17A(0.515483) H17B(0.539336)
 H17C(0.403858) H18A(0.428829) H18B(0.42789) H19A(0.626479) H19B(0.611223)
 H19C(0.637161) H22A(0.596145) H22B(0.457045) H22C(0.552566) H25(0.763108)
 H27(0.956392) H29A(0.921539) H29B(0.877439) H29C(0.950951) H30A(0.988882)
 H30B(1.056964) H30C(0.971933) H31A(0.695816) H31B(0.686222) H32A(0.48484)
 H32B(0.596224) H32C(0.526985) H33A(0.705804) H33B(0.711505) H34A(0.911651)
 H34B(0.857158) H34C(0.924076) H35A(0.694476) H35B(0.761565) H36A(0.86427)
 H36B(0.899177) H36C(0.938664) H37A(0.531336) H37B(0.514856)
 Fixed Z: H1A(0.810319) H1B(0.798477) H4(0.851643) H5(0.915028) H6(1.064972)
 H7(1.148279) H9(1.163318) H11(1.180447) H12(1.124675) H13(0.971436)
 H14(0.884802) H16A(0.772039) H16B(0.707462) H17A(0.866588) H17B(0.773158)
 H17C(0.820263) H18A(0.951364) H18B(0.967444) H19A(0.915403) H19B(0.985754)
 H19C(0.884418) H22A(0.428638) H22B(0.432021) H22C(0.343474) H25(0.335211)
 H27(0.320907) H29A(0.334422) H29B(0.428172) H29C(0.419093) H30A(0.209671)
 H30B(0.290863) H30C(0.279855) H31A(0.822796) H31B(0.772849) H32A(0.859252)
 H32B(0.908034) H32C(0.918357) H33A(0.58079) H33B(0.509344) H34A(0.547189)
 H34B(0.459874) H34C(0.481293) H35A(0.65708) H35B(0.737703) H36A(0.564644)
 H36B(0.631615) H36C(0.637682) H37A(0.713006) H37B(0.774137)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.37616(3) 0.43704(3) 0.55167(2) 0.02876(16) Uani 1 1 d . . . . .
P1 P 0.46900(19) 0.3752(2) 0.78940(13) 0.0374(5) Uani 1 1 d . U . . .
P2 P 0.1642(2) 0.6678(3) 0.65637(17) 0.0502(6) Uani 1 1 d . U . . .
S1 S 0.1663(3) 0.1901(4) 0.7412(2) 0.0829(11) Uani 1 1 d . U . . .
S2 S 0.3238(4) 0.2056(4) 0.3192(3) 0.0997(14) Uani 1 1 d . U . . .
C1 C 0.5007(8) 0.2201(9) 0.8275(5) 0.0418(14) Uani 1 1 d . U . . .
H1A H 0.432889 0.194081 0.810319 0.050 Uiso 1 1 calc R . . . .
H1B H 0.572822 0.177121 0.798477 0.050 Uiso 1 1 calc R . . . .
C2 C 0.5223(10) 0.1812(9) 0.9242(6) 0.0506(14) Uani 1 1 d . U . . .
C3 C 0.6393(11) 0.1535(10) 0.9609(7) 0.0614(16) Uani 1 1 d . U . . .
C4 C 0.7391(11) 0.1615(11) 0.9131(8) 0.0670(19) Uani 1 1 d . U . . .
H4 H 0.729587 0.182279 0.851643 0.080 Uiso 1 1 calc R . . . .
C5 C 0.8507(13) 0.1408(12) 0.9499(9) 0.079(2) Uani 1 1 d . U . . .
H5 H 0.915870 0.150717 0.915028 0.095 Uiso 1 1 calc R . . . .
C6 C 0.8657(14) 0.1054(13) 1.0387(9) 0.086(2) Uani 1 1 d . U . . .
H6 H 0.942545 0.090174 1.064972 0.103 Uiso 1 1 calc R . . . .
C7 C 0.7770(14) 0.0924(13) 1.0875(9) 0.084(2) Uani 1 1 d . U . . .
H7 H 0.791948 0.066689 1.148279 0.101 Uiso 1 1 calc R . . . .
C8 C 0.6562(13) 0.1156(11) 1.0527(7) 0.0719(17) Uani 1 1 d . U . . .
C9 C 0.5639(13) 0.1025(11) 1.1028(7) 0.0741(19) Uani 1 1 d . U . . .
H9 H 0.579167 0.073269 1.163318 0.089 Uiso 1 1 calc R . . . .
C10 C 0.4467(13) 0.1301(11) 1.0697(7) 0.0698(17) Uani 1 1 d . U . . .
C11 C 0.3468(15) 0.1177(12) 1.1201(8) 0.082(2) Uani 1 1 d . U . . .
H11 H 0.359842 0.086014 1.180447 0.098 Uiso 1 1 calc R . . . .
C12 C 0.2389(15) 0.1477(12) 1.0873(8) 0.083(2) Uani 1 1 d . U . . .
H12 H 0.175144 0.141179 1.124675 0.100 Uiso 1 1 calc R . . . .
C13 C 0.2127(14) 0.1908(12) 0.9956(8) 0.078(2) Uani 1 1 d . U . . .
H13 H 0.133473 0.213685 0.971436 0.093 Uiso 1 1 calc R . . . .
C14 C 0.3088(12) 0.1968(11) 0.9458(7) 0.0656(18) Uani 1 1 d . U . . .
H14 H 0.294503 0.220443 0.884802 0.079 Uiso 1 1 calc R . . . .
C15 C 0.4244(12) 0.1713(10) 0.9767(6) 0.0591(15) Uani 1 1 d . U . . .
C16 C 0.6243(10) 0.4972(12) 0.7692(7) 0.063(2) Uani 1 1 d D U . . .
H16A H 0.564692 0.576419 0.772039 0.075 Uiso 1 1 calc R . . . .
H16B H 0.635771 0.489495 0.707462 0.075 Uiso 1 1 calc R . . . .
C17 C 0.7387(11) 0.4882(15) 0.8107(10) 0.096(4) Uani 1 1 d D U . . .
H17A H 0.723457 0.515483 0.866588 0.144 Uiso 1 1 calc GR . . . .
H17B H 0.778979 0.539336 0.773158 0.144 Uiso 1 1 calc GR . . . .
H17C H 0.790026 0.403858 0.820263 0.144 Uiso 1 1 calc GR . . . .
C18 C 0.3746(10) 0.4659(9) 0.9289(6) 0.059(2) Uani 1 1 d D U . . .
H18A H 0.458550 0.428829 0.951364 0.071 Uiso 1 1 calc R . . . .
H18B H 0.322736 0.427890 0.967444 0.071 Uiso 1 1 calc R . . . .
C19 C 0.3379(12) 0.5958(10) 0.9286(8) 0.073(3) Uani 1 1 d D U . . .
H19A H 0.406752 0.626479 0.915403 0.110 Uiso 1 1 calc GR . . . .
H19B H 0.308434 0.611223 0.985754 0.110 Uiso 1 1 calc GR . . . .
H19C H 0.273787 0.637161 0.884418 0.110 Uiso 1 1 calc GR . . . .
C20 C 0.2060(7) 0.2784(9) 0.6634(6) 0.0436(19) Uani 1 1 d . U . . .
C21 C 0.3502(9) 0.2776(9) 0.3910(6) 0.0453(19) Uani 1 1 d . U . . .
C22 C 0.1078(9) 0.5409(10) 0.4068(8) 0.061(3) Uani 1 1 d . U . . .
H22A H 0.037478 0.596145 0.428638 0.091 Uiso 1 1 calc GR . . . .
H22B H 0.112720 0.457045 0.432021 0.091 Uiso 1 1 calc GR . . . .
H22C H 0.100530 0.552566 0.343474 0.091 Uiso 1 1 calc GR . . . .
C23 C 0.3414(6) 0.6802(7) 0.4148(4) 0.0288(13) Uani 1 1 d . U . . .
C24 C 0.2271(7) 0.6761(7) 0.3965(5) 0.0311(14) Uani 1 1 d . U . . .
C25 C 0.1435(7) 0.7707(9) 0.3494(5) 0.0390(16) Uani 1 1 d . U . . .
H25 H 0.067833 0.763108 0.335211 0.047 Uiso 1 1 calc R . . . .
C26 C 0.1686(7) 0.8780(9) 0.3221(5) 0.0391(16) Uani 1 1 d . U . . .
C27 C 0.2830(7) 0.8835(8) 0.3402(5) 0.0354(15) Uani 1 1 d . U . . .
H27 H 0.302674 0.956392 0.320907 0.042 Uiso 1 1 calc R . . . .
C28 C 0.3663(6) 0.7855(7) 0.3852(5) 0.0305(14) Uani 1 1 d . U . . .
C29 C 0.5125(8) 0.8912(8) 0.3959(6) 0.046(2) Uani 1 1 d . U . . .
H29A H 0.521636 0.921539 0.334422 0.069 Uiso 1 1 calc GR . . . .
H29B H 0.587659 0.877439 0.428172 0.069 Uiso 1 1 calc GR . . . .
H29C H 0.447597 0.950951 0.419093 0.069 Uiso 1 1 calc GR . . . .
C30 C 0.0778(8) 0.9827(9) 0.2714(6) 0.047(2) Uani 1 1 d . U . . .
H30A H 0.096156 0.988882 0.209671 0.071 Uiso 1 1 calc GR . . . .
H30B H 0.078904 1.056964 0.290863 0.071 Uiso 1 1 calc GR . . . .
H30C H -0.001873 0.971933 0.279855 0.071 Uiso 1 1 calc GR . . . .
C31 C 0.0271(10) 0.6386(12) 0.8028(7) 0.075(3) Uani 1 1 d D U . . .
H31A H 0.062922 0.695816 0.822796 0.089 Uiso 1 1 calc R . . . .
H31B H -0.050734 0.686222 0.772849 0.089 Uiso 1 1 calc R . . . .
C32 C 0.0058(12) 0.5547(14) 0.8784(8) 0.093(4) Uani 1 1 d D U . . .
H32A H -0.007716 0.484840 0.859252 0.139 Uiso 1 1 calc GR . . . .
H32B H -0.065021 0.596224 0.908034 0.139 Uiso 1 1 calc GR . . . .
H32C H 0.075978 0.526985 0.918357 0.139 Uiso 1 1 calc GR . . . .
C33 C -0.0133(14) 0.7554(14) 0.5524(9) 0.115(4) Uani 1 1 d D U . . .
H33A H -0.063348 0.705804 0.580790 0.137 Uiso 1 1 calc R . . . .
H33B H 0.035556 0.711505 0.509344 0.137 Uiso 1 1 calc R . . . .
C34 C -0.0932(15) 0.8718(14) 0.5063(9) 0.105(5) Uani 1 1 d D U . . .
H34A H -0.149107 0.911651 0.547189 0.157 Uiso 1 1 calc GR . . . .
H34B H -0.138630 0.857158 0.459874 0.157 Uiso 1 1 calc GR . . . .
H34C H -0.045012 0.924076 0.481293 0.157 Uiso 1 1 calc GR . . . .
C35 C 0.3318(11) 0.7616(12) 0.6839(9) 0.077(3) Uani 1 1 d D U . . .
H35A H 0.382721 0.694476 0.657080 0.092 Uiso 1 1 calc R . . . .
H35B H 0.374545 0.761565 0.737703 0.092 Uiso 1 1 calc R . . . .
C36 C 0.3229(14) 0.8753(13) 0.6246(10) 0.097(4) Uani 1 1 d D U . . .
H36A H 0.315718 0.864270 0.564644 0.145 Uiso 1 1 calc GR . . . .
H36B H 0.395071 0.899177 0.631615 0.145 Uiso 1 1 calc GR . . . .
H36C H 0.251973 0.938664 0.637682 0.145 Uiso 1 1 calc GR . . . .
C37 C 0.1072(9) 0.5759(12) 0.7409(6) 0.060(2) Uani 1 1 d . U . . .
H37A H 0.063551 0.531336 0.713006 0.072 Uiso 1 1 calc R . . . .
H37B H 0.176695 0.514856 0.774137 0.072 Uiso 1 1 calc R . . . .
N1 N 0.2304(7) 0.3416(8) 0.6096(5) 0.0494(18) Uani 1 1 d . U . . .
N2 N 0.3739(7) 0.3279(7) 0.4397(5) 0.0456(17) Uani 1 1 d . U . . .
O1 O 0.4349(5) 0.4110(6) 0.6967(3) 0.0415(12) Uani 1 1 d . U . . .
O2 O 0.5843(6) 0.4021(7) 0.8145(4) 0.0553(13) Uani 1 1 d . U . . .
O3 O 0.3649(6) 0.4445(6) 0.8418(4) 0.0490(13) Uani 1 1 d . U . . .
O4 O 0.2126(5) 0.5654(6) 0.4304(4) 0.0388(12) Uani 1 1 d . U . . .
O5 O 0.4234(4) 0.5848(5) 0.4592(3) 0.0303(11) Uani 1 1 d . U . . .
O6 O 0.4838(5) 0.7788(5) 0.4045(4) 0.0387(12) Uani 1 1 d . U . . .
O7 O 0.2462(5) 0.5969(6) 0.5999(4) 0.0455(14) Uani 1 1 d . U . . .
O8 O 0.2296(8) 0.7363(8) 0.7066(6) 0.0721(19) Uani 1 1 d D U . . .
O9 O 0.0592(8) 0.7656(10) 0.6114(6) 0.097(3) Uani 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
Dy1 Dy1 3.8329(14) 2_666 ?
Dy1 N1 2.388(7) . ?
Dy1 N2 2.360(7) . ?
Dy1 O1 2.330(5) . ?
Dy1 O4 2.635(6) . ?
Dy1 O5 2.284(5) 2_666 ?
Dy1 O5 2.250(5) . ?
Dy1 O6 2.555(6) 2_666 ?
Dy1 O7 2.271(6) . ?
P1 C1 1.743(10) . ?
P1 O1 1.467(6) . ?
P1 O2 1.549(7) . ?
P1 O3 1.555(6) . ?
P2 C37 1.801(12) . ?
P2 O7 1.464(6) . ?
P2 O8 1.575(9) . ?
P2 O9 1.492(9) . ?
S1 C20 1.609(9) . ?
S2 C21 1.612(9) . ?
C1 C2 1.507(11) . ?
C2 C3 1.416(16) . ?
C2 C15 1.415(14) . ?
C3 C4 1.389(17) . ?
C3 C8 1.427(15) . ?
C4 C5 1.374(17) . ?
C5 C6 1.379(18) . ?
C6 C7 1.30(2) . ?
C7 C8 1.454(19) . ?
C8 C9 1.350(18) . ?
C9 C10 1.398(19) . ?
C10 C11 1.423(18) . ?
C10 C15 1.454(14) . ?
C11 C12 1.29(2) . ?
C12 C13 1.442(18) . ?
C13 C14 1.364(16) . ?
C14 C15 1.373(17) . ?
C16 C17 1.467(10) . ?
C16 O2 1.410(12) . ?
C18 C19 1.459(10) . ?
C18 O3 1.444(10) . ?
C20 N1 1.112(12) . ?
C21 N2 1.131(11) . ?
C22 O4 1.411(10) . ?
C23 C24 1.389(10) . ?
C23 C28 1.357(10) . ?
C23 O5 1.328(9) . ?
C24 C25 1.350(12) . ?
C24 O4 1.375(10) . ?
C25 C26 1.373(13) . ?
C26 C27 1.396(11) . ?
C26 C30 1.475(12) . ?
C27 C28 1.356(11) . ?
C28 O6 1.389(9) . ?
C29 O6 1.442(9) . ?
C31 C32 1.467(10) . ?
C31 C37 1.471(14) . ?
C33 C34 1.475(10) . ?
C33 O9 1.314(13) . ?
C35 C36 1.463(10) . ?
C35 O8 1.340(12) . ?

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 Dy1 Dy1 174.4(2) . 2_666 ?
N1 Dy1 O4 86.6(2) . . ?
N1 Dy1 O6 81.6(2) . 2_666 ?
N2 Dy1 Dy1 93.06(19) . 2_666 ?
N2 Dy1 N1 82.1(3) . . ?
N2 Dy1 O4 69.1(2) . . ?
N2 Dy1 O6 70.8(2) . 2_666 ?
O1 Dy1 Dy1 98.27(14) . 2_666 ?
O1 Dy1 N1 84.0(2) . . ?
O1 Dy1 N2 142.0(3) . . ?
O1 Dy1 O4 144.8(2) . . ?
O1 Dy1 O6 72.3(2) . 2_666 ?
O4 Dy1 Dy1 94.29(12) . 2_666 ?
O5 Dy1 Dy1 32.01(13) 2_666 2_666 ?
O5 Dy1 Dy1 32.55(12) . 2_666 ?
O5 Dy1 N1 145.0(3) 2_666 . ?
O5 Dy1 N1 149.8(2) . . ?
O5 Dy1 N2 93.3(2) 2_666 . ?
O5 Dy1 N2 91.8(2) . . ?
O5 Dy1 O1 78.55(19) 2_666 . ?
O5 Dy1 O1 116.5(2) . . ?
O5 Dy1 O4 124.20(17) 2_666 . ?
O5 Dy1 O4 63.69(17) . . ?
O5 Dy1 O5 64.6(2) . 2_666 ?
O5 Dy1 O6 124.38(17) . 2_666 ?
O5 Dy1 O6 64.32(18) 2_666 2_666 ?
O5 Dy1 O7 82.5(2) . . ?
O6 Dy1 Dy1 94.20(12) 2_666 2_666 ?
O6 Dy1 O4 139.41(19) 2_666 . ?
O7 Dy1 Dy1 103.99(17) . 2_666 ?
O7 Dy1 N1 81.5(3) . . ?
O7 Dy1 N2 135.8(3) . . ?
O7 Dy1 O1 75.9(2) . . ?
O7 Dy1 O4 69.2(2) . . ?
O7 Dy1 O5 122.3(2) . 2_666 ?
O7 Dy1 O6 145.3(2) . 2_666 ?
O1 P1 C1 113.3(4) . . ?
O1 P1 O2 114.6(4) . . ?
O1 P1 O3 108.8(4) . . ?
O2 P1 C1 103.3(4) . . ?
O2 P1 O3 107.5(4) . . ?
O3 P1 C1 109.0(4) . . ?
O7 P2 C37 113.1(5) . . ?
O7 P2 O8 111.4(4) . . ?
O7 P2 O9 115.5(4) . . ?
O8 P2 C37 104.2(5) . . ?
O9 P2 C37 107.5(6) . . ?
O9 P2 O8 104.1(6) . . ?
C2 C1 P1 115.1(6) . . ?
C3 C2 C1 120.0(9) . . ?
C3 C2 C15 121.2(9) . . ?
C15 C2 C1 118.8(10) . . ?
C2 C3 C8 118.3(11) . . ?
C4 C3 C2 124.0(10) . . ?
C4 C3 C8 117.7(12) . . ?
C5 C4 C3 123.4(12) . . ?
C4 C5 C6 118.3(15) . . ?
C7 C6 C5 121.7(14) . . ?
C6 C7 C8 122.7(13) . . ?
C3 C8 C7 116.1(13) . . ?
C9 C8 C3 120.8(13) . . ?
C9 C8 C7 123.1(12) . . ?
C8 C9 C10 122.9(11) . . ?
C9 C10 C11 124.8(12) . . ?
C9 C10 C15 118.3(11) . . ?
C11 C10 C15 116.8(13) . . ?
C12 C11 C10 122.9(13) . . ?
C11 C12 C13 121.9(13) . . ?
C14 C13 C12 115.8(14) . . ?
C13 C14 C15 125.2(12) . . ?
C2 C15 C10 118.4(11) . . ?
C14 C15 C2 124.4(10) . . ?
C14 C15 C10 117.2(10) . . ?
O2 C16 C17 107.1(9) . . ?
O3 C18 C19 109.7(9) . . ?
N1 C20 S1 178.1(10) . . ?
N2 C21 S2 176.7(9) . . ?
C28 C23 C24 117.3(7) . . ?
O5 C23 C24 121.5(7) . . ?
O5 C23 C28 121.2(7) . . ?
C25 C24 C23 122.6(7) . . ?
C25 C24 O4 125.6(7) . . ?
O4 C24 C23 111.8(7) . . ?
C24 C25 C26 119.5(7) . . ?
C25 C26 C27 118.5(8) . . ?
C25 C26 C30 120.3(8) . . ?
C27 C26 C30 121.2(8) . . ?
C28 C27 C26 120.4(8) . . ?
C23 C28 O6 112.8(7) . . ?
C27 C28 C23 121.6(7) . . ?
C27 C28 O6 125.6(7) . . ?
C32 C31 C37 112.6(11) . . ?
O9 C33 C34 114.4(14) . . ?
O8 C35 C36 117.9(12) . . ?
C31 C37 P2 117.2(9) . . ?
C20 N1 Dy1 147.3(8) . . ?
C21 N2 Dy1 166.4(8) . . ?
P1 O1 Dy1 170.7(4) . . ?
C16 O2 P1 124.1(6) . . ?
C18 O3 P1 126.2(6) . . ?
C22 O4 Dy1 127.9(6) . . ?
C24 O4 Dy1 112.9(4) . . ?
C24 O4 C22 118.5(7) . . ?
Dy1 O5 Dy1 115.4(2) . 2_666 ?
C23 O5 Dy1 121.5(4) . 2_666 ?
C23 O5 Dy1 123.0(4) . . ?
C28 O6 Dy1 114.1(4) . 2_666 ?
C28 O6 C29 117.6(7) . . ?
C29 O6 Dy1 128.3(5) . 2_666 ?
P2 O7 Dy1 160.6(4) . . ?
C35 O8 P2 125.8(8) . . ?
C33 O9 P2 126.6(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C1 C2 C3 -88.0(10) . . . . ?
P1 C1 C2 C15 92.9(10) . . . . ?
C1 P1 O2 C16 152.3(9) . . . . ?
C1 P1 O3 C18 76.8(9) . . . . ?
C1 C2 C3 C4 1.0(16) . . . . ?
C1 C2 C3 C8 -179.3(9) . . . . ?
C1 C2 C15 C10 178.1(8) . . . . ?
C1 C2 C15 C14 -1.1(15) . . . . ?
C2 C3 C4 C5 176.3(11) . . . . ?
C2 C3 C8 C7 -177.9(10) . . . . ?
C2 C3 C8 C9 2.2(16) . . . . ?
C3 C2 C15 C10 -0.9(15) . . . . ?
C3 C2 C15 C14 179.8(10) . . . . ?
C3 C4 C5 C6 2.8(19) . . . . ?
C3 C8 C9 C10 -3.1(18) . . . . ?
C4 C3 C8 C7 1.8(16) . . . . ?
C4 C3 C8 C9 -178.0(11) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C5 C6 C7 C8 -1(2) . . . . ?
C6 C7 C8 C3 0.3(19) . . . . ?
C6 C7 C8 C9 -179.9(13) . . . . ?
C7 C8 C9 C10 177.1(11) . . . . ?
C8 C3 C4 C5 -3.4(17) . . . . ?
C8 C9 C10 C11 -180.0(11) . . . . ?
C8 C9 C10 C15 1.9(18) . . . . ?
C9 C10 C11 C12 177.8(13) . . . . ?
C9 C10 C15 C2 0.2(15) . . . . ?
C9 C10 C15 C14 179.5(11) . . . . ?
C10 C11 C12 C13 3(2) . . . . ?
C11 C10 C15 C2 -178.1(10) . . . . ?
C11 C10 C15 C14 1.2(15) . . . . ?
C11 C12 C13 C14 0.6(19) . . . . ?
C12 C13 C14 C15 -3.5(18) . . . . ?
C13 C14 C15 C2 -178.2(11) . . . . ?
C13 C14 C15 C10 2.6(17) . . . . ?
C15 C2 C3 C4 -179.9(10) . . . . ?
C15 C2 C3 C8 -0.2(15) . . . . ?
C15 C10 C11 C12 -4.0(19) . . . . ?
C17 C16 O2 P1 -177.4(10) . . . . ?
C19 C18 O3 P1 120.2(9) . . . . ?
C23 C24 C25 C26 -3.7(11) . . . . ?
C23 C24 O4 Dy1 17.5(7) . . . . ?
C23 C24 O4 C22 -170.9(8) . . . . ?
C23 C28 O6 Dy1 16.3(7) . . . 2_666 ?
C23 C28 O6 C29 -165.0(7) . . . . ?
C24 C23 C28 C27 0.6(11) . . . . ?
C24 C23 C28 O6 -178.0(6) . . . . ?
C24 C23 O5 Dy1 -24.2(9) . . . . ?
C24 C23 O5 Dy1 157.2(5) . . . 2_666 ?
C24 C25 C26 C27 3.4(12) . . . . ?
C24 C25 C26 C30 -179.3(8) . . . . ?
C25 C24 O4 Dy1 -163.7(6) . . . . ?
C25 C24 O4 C22 7.9(12) . . . . ?
C25 C26 C27 C28 -1.2(12) . . . . ?
C26 C27 C28 C23 -0.8(12) . . . . ?
C26 C27 C28 O6 177.7(7) . . . . ?
C27 C28 O6 Dy1 -162.3(6) . . . 2_666 ?
C27 C28 O6 C29 16.4(11) . . . . ?
C28 C23 C24 C25 1.7(11) . . . . ?
C28 C23 C24 O4 -179.5(6) . . . . ?
C28 C23 O5 Dy1 -22.5(9) . . . 2_666 ?
C28 C23 O5 Dy1 156.1(5) . . . . ?
C30 C26 C27 C28 -178.5(8) . . . . ?
C32 C31 C37 P2 -168.3(10) . . . . ?
C34 C33 O9 P2 -167.8(11) . . . . ?
C36 C35 O8 P2 88.5(15) . . . . ?
C37 P2 O7 Dy1 -19.4(14) . . . . ?
C37 P2 O8 C35 142.5(11) . . . . ?
C37 P2 O9 C33 -79.4(14) . . . . ?
O1 P1 C1 C2 -173.3(7) . . . . ?
O1 P1 O2 C16 28.6(10) . . . . ?
O1 P1 O3 C18 -159.2(8) . . . . ?
O2 P1 C1 C2 62.1(8) . . . . ?
O2 P1 O3 C18 -34.6(9) . . . . ?
O3 P1 C1 C2 -52.0(8) . . . . ?
O3 P1 O2 C16 -92.5(9) . . . . ?
O4 C24 C25 C26 177.6(7) . . . . ?
O5 C23 C24 C25 -178.0(7) . . . . ?
O5 C23 C24 O4 0.8(9) . . . . ?
O5 C23 C28 C27 -179.7(7) . . . . ?
O5 C23 C28 O6 1.7(10) . . . . ?
O7 P2 C37 C31 178.0(8) . . . . ?
O7 P2 O8 C35 20.2(12) . . . . ?
O7 P2 O9 C33 47.9(15) . . . . ?
O8 P2 C37 C31 56.8(10) . . . . ?
O8 P2 O7 Dy1 97.7(13) . . . . ?
O8 P2 O9 C33 170.4(13) . . . . ?
O9 P2 C37 C31 -53.2(10) . . . . ?
O9 P2 O7 Dy1 -143.9(12) . . . . ?
O9 P2 O8 C35 -104.9(11) . . . . ?

_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_1
_database_code_depnum_ccdc_archive 'CCDC 2456349'
loop_
_audit_author_name
_audit_author_address
'Yehui Qin'
;Nanjing University
China
;
_audit_update_record             
;
2025-06-04 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H94 Dy2 N4 O18 P4 S4'
_chemical_formula_weight         1880.63

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.510(3)
_cell_length_b                   12.095(4)
_cell_length_c                   15.978(8)
_cell_angle_alpha                75.029(11)
_cell_angle_beta                 77.563(11)
_cell_angle_gamma                74.378(9)
_cell_volume                     2044.0(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9927
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_F_000             954
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    2.061
_shelx_estimated_absorpt_T_min   0.7456
_shelx_estimated_absorpt_T_max   0.5199
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15292
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.270
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             7170
_reflns_number_gt                6520
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SAINT'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0624P)²+2.0237P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7170
_refine_ls_number_parameters     554
_refine_ls_number_restraints     139
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1094
_refine_ls_wR_factor_gt          0.1049
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.002
_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
Dy1 Dy 0.36344(2) 0.42872(2) 0.55662(2) 0.03421(10) Uani 1 1 d . . . . .
P1 P 0.41629(12) 0.36356(12) 0.79185(8) 0.0420(3) Uani 1 1 d . . . . .
S1 S 0.1013(2) 0.1754(3) 0.76077(13) 0.1012(8) Uani 1 1 d . . . . .
S2 S 0.3990(3) 0.2099(2) 0.31305(14) 0.1179(10) Uani 1 1 d . . . . .
O1 O 0.3930(3) 0.3963(3) 0.7008(2) 0.0483(8) Uani 1 1 d . . . . .
O2 O 0.5408(3) 0.3789(4) 0.8048(2) 0.0568(9) Uani 1 1 d . . . . .
O3 O 0.3127(4) 0.4420(3) 0.8462(2) 0.0556(9) Uani 1 1 d . . . . .
O4 O 0.2234(3) 0.5576(4) 0.4379(2) 0.0513(9) Uani 1 1 d . . . . .
O5 O 0.4299(3) 0.5858(3) 0.46242(19) 0.0375(7) Uani 1 1 d . . . . .
O6 O 0.5043(3) 0.7822(3) 0.4018(2) 0.0506(8) Uani 1 1 d . . . . .
N1 N 0.2060(4) 0.3232(5) 0.6195(3) 0.0578(12) Uani 1 1 d . . . . .
N2 N 0.3876(4) 0.3275(4) 0.4424(3) 0.0515(11) Uani 1 1 d . . . . .
C1 C 0.4223(5) 0.2111(5) 0.8397(3) 0.0445(11) Uani 1 1 d . . . . .
H1A H 0.350131 0.190638 0.828524 0.053 Uiso 1 1 calc R U . . .
H1B H 0.495937 0.163648 0.809861 0.053 Uiso 1 1 calc R U . . .
C2 C 0.4253(5) 0.1770(4) 0.9377(3) 0.0452(11) Uani 1 1 d . . . . .
C3 C 0.5370(5) 0.1489(4) 0.9691(3) 0.0490(12) Uani 1 1 d . . . . .
C4 C 0.6535(5) 0.1455(5) 0.9145(4) 0.0563(13) Uani 1 1 d . . . . .
H4 H 0.657581 0.163391 0.852638 0.068 Uiso 1 1 calc R U . . .
C5 C 0.7586(6) 0.1173(6) 0.9489(5) 0.0735(18) Uani 1 1 d . . . . .
H5 H 0.834151 0.117488 0.910504 0.088 Uiso 1 1 calc R U . . .
C6 C 0.7576(8) 0.0879(6) 1.0400(6) 0.082(2) Uani 1 1 d . . . . .
H6 H 0.831891 0.067301 1.063025 0.098 Uiso 1 1 calc R U . . .
C7 C 0.6511(8) 0.0893(6) 1.0939(5) 0.077(2) Uani 1 1 d . . . . .
H7 H 0.651045 0.070220 1.155439 0.093 Uiso 1 1 calc R U . . .
C8 C 0.5378(7) 0.1183(5) 1.0622(3) 0.0587(15) Uani 1 1 d . . . . .
C9 C 0.4297(7) 0.1186(5) 1.1183(3) 0.0653(18) Uani 1 1 d . . . . .
H9 H 0.430898 0.098916 1.179679 0.078 Uiso 1 1 calc R U . . .
C10 C 0.3183(6) 0.1468(5) 1.0887(3) 0.0600(16) Uani 1 1 d . . . . .
C11 C 0.2071(8) 0.1463(6) 1.1477(4) 0.080(2) Uani 1 1 d . . . . .
H11 H 0.208568 0.128068 1.209021 0.095 Uiso 1 1 calc R U . . .
C12 C 0.0991(9) 0.1714(7) 1.1186(5) 0.095(3) Uani 1 1 d . . . . .
H12 H 0.026027 0.169381 1.159650 0.115 Uiso 1 1 calc R U . . .
C13 C 0.0937(7) 0.2006(6) 1.0273(5) 0.078(2) Uani 1 1 d . . . . .
H13 H 0.017419 0.218290 1.007419 0.094 Uiso 1 1 calc R U . . .
C14 C 0.1988(6) 0.2033(5) 0.9682(4) 0.0624(15) Uani 1 1 d . . . . .
H14 H 0.194351 0.223449 0.907253 0.075 Uiso 1 1 calc R U . . .
C15 C 0.3145(5) 0.1766(5) 0.9956(3) 0.0496(12) Uani 1 1 d . . . . .
C16 C 0.5821(6) 0.4872(6) 0.7674(4) 0.0633(15) Uani 1 1 d . . . . .
H16A H 0.513223 0.556004 0.772538 0.076 Uiso 1 1 calc R U . . .
H16B H 0.616765 0.491439 0.704642 0.076 Uiso 1 1 calc R U . . .
C17 C 0.6782(10) 0.4854(11) 0.8187(8) 0.143(5) Uani 1 1 d . . . . .
H17A H 0.699599 0.562092 0.802256 0.214 Uiso 1 1 calc R U . . .
H17B H 0.751024 0.424473 0.805589 0.214 Uiso 1 1 calc R U . . .
H17C H 0.646562 0.468347 0.881554 0.214 Uiso 1 1 calc R U . . .
C18 C 0.3180(7) 0.4657(6) 0.9300(4) 0.0729(19) Uani 1 1 d . . . . .
H18A H 0.401078 0.432031 0.945347 0.087 Uiso 1 1 calc R U . . .
H18B H 0.259518 0.429159 0.976830 0.087 Uiso 1 1 calc R U . . .
C19 C 0.2862(9) 0.5962(6) 0.9224(5) 0.092(3) Uani 1 1 d . . . . .
H19A H 0.354878 0.629279 0.887553 0.138 Uiso 1 1 calc R U . . .
H19B H 0.269199 0.613462 0.981070 0.138 Uiso 1 1 calc R U . . .
H19C H 0.213765 0.631203 0.893617 0.138 Uiso 1 1 calc R U . . .
C20 C 0.1636(5) 0.2616(6) 0.6787(4) 0.0567(14) Uani 1 1 d . . . . .
C21 C 0.3921(6) 0.2763(5) 0.3907(3) 0.0535(13) Uani 1 1 d . . . . .
C22 C 0.1253(5) 0.5293(8) 0.4136(5) 0.086(2) Uani 1 1 d . . . . .
H22A H 0.126028 0.445970 0.437784 0.129 Uiso 1 1 calc R U . . .
H22B H 0.134198 0.544822 0.349478 0.129 Uiso 1 1 calc R U . . .
H22C H 0.047799 0.577448 0.436659 0.129 Uiso 1 1 calc R U . . .
C23 C 0.3572(4) 0.6778(5) 0.4180(3) 0.0426(11) Uani 1 1 d . . . . .
C24 C 0.2459(4) 0.6666(5) 0.4024(3) 0.0461(12) Uani 1 1 d . . . . .
C25 C 0.1718(5) 0.7614(6) 0.3552(4) 0.0601(15) Uani 1 1 d . . . . .
H25 H 0.097254 0.753697 0.343455 0.072 Uiso 1 1 calc R U . . .
C26 C 0.2065(5) 0.8673(6) 0.3254(4) 0.0693(18) Uani 1 1 d . . . . .
H26 H 0.154308 0.932444 0.294084 0.083 Uiso 1 1 calc R U . . .
C27 C 0.3149(5) 0.8806(5) 0.3399(4) 0.0602(15) Uani 1 1 d . . . . .
H27 H 0.337523 0.954078 0.319225 0.072 Uiso 1 1 calc R U . . .
C28 C 0.3908(5) 0.7845(5) 0.3853(3) 0.0489(12) Uani 1 1 d . . . . .
C29 C 0.5354(6) 0.8927(5) 0.3898(4) 0.0641(15) Uani 1 1 d . . . . .
H29A H 0.472854 0.941970 0.425084 0.096 Uiso 1 1 calc R U . . .
H29B H 0.540013 0.932130 0.327697 0.096 Uiso 1 1 calc R U . . .
H29C H 0.614751 0.879583 0.408267 0.096 Uiso 1 1 calc R U . . .
P2 P 0.11955(14) 0.66060(17) 0.64712(11) 0.0637(4) Uani 1 1 d D . . . .
O7 O 0.2206(3) 0.5780(3) 0.6103(2) 0.0540(9) Uani 1 1 d . . . . .
C30 C 0.0106(9) 0.5940(10) 0.7139(7) 0.050(2) Uani 0.5 1 d D U P A 1
H30A H -0.064786 0.654868 0.724232 0.060 Uiso 0.5 1 calc R U P A 1
H30B H -0.008155 0.541035 0.683136 0.060 Uiso 0.5 1 calc R U P A 1
C31 C 0.0435(19) 0.526(2) 0.7985(10) 0.131(10) Uani 0.5 1 d D U P A 1
H31A H 0.110205 0.557402 0.806989 0.158 Uiso 0.5 1 calc R U P A 1
H31B H 0.082022 0.445731 0.788816 0.158 Uiso 0.5 1 calc R U P A 1
C32 C -0.033(3) 0.5085(17) 0.8853(8) 0.095(7) Uani 0.5 1 d D U P A 1
H32A H 0.017100 0.457735 0.928946 0.142 Uiso 0.5 1 calc R U P A 1
H32B H -0.069615 0.584679 0.901537 0.142 Uiso 0.5 1 calc R U P A 1
H32C H -0.098179 0.471497 0.883119 0.142 Uiso 0.5 1 calc R U P A 1
O8 O 0.1505(7) 0.7291(8) 0.7039(5) 0.064(2) Uani 0.5 1 d D U P A 1
C33 C 0.2714(14) 0.7621(14) 0.6764(11) 0.082(5) Uani 0.5 1 d D U P A 1
H33A H 0.324507 0.702981 0.643622 0.098 Uiso 0.5 1 calc R U P A 1
H33B H 0.305091 0.748450 0.731205 0.098 Uiso 0.5 1 calc R U P A 1
C34 C 0.293(2) 0.8805(17) 0.6229(19) 0.170(11) Uani 0.5 1 d D U P A 1
H34A H 0.380779 0.879079 0.614039 0.255 Uiso 0.5 1 calc R U P A 1
H34B H 0.266763 0.896334 0.565921 0.255 Uiso 0.5 1 calc R U P A 1
H34C H 0.247141 0.942286 0.654435 0.255 Uiso 0.5 1 calc R U P A 1
O9 O 0.0430(10) 0.7415(11) 0.5757(6) 0.091(4) Uani 0.5 1 d D U P A 1
C35 C -0.0633(15) 0.8438(16) 0.5835(13) 0.097(6) Uani 0.5 1 d D U P A 1
H35A H -0.030380 0.906991 0.592136 0.117 Uiso 0.5 1 calc R U P A 1
H35B H -0.117021 0.819378 0.638864 0.117 Uiso 0.5 1 calc R U P A 1
C36 C -0.146(3) 0.901(4) 0.514(3) 0.25(3) Uani 0.5 1 d D U P A 1
H36A H -0.209387 0.966073 0.533284 0.382 Uiso 0.5 1 calc R U P A 1
H36B H -0.097873 0.931167 0.458519 0.382 Uiso 0.5 1 calc R U P A 1
H36C H -0.185310 0.842749 0.505677 0.382 Uiso 0.5 1 calc R U P A 1
C30' C 0.1586(18) 0.7910(13) 0.6291(15) 0.113(6) Uani 0.5 1 d D U P A 2
H30C H 0.180078 0.816239 0.564807 0.136 Uiso 0.5 1 calc R U P A 2
H30D H 0.083327 0.847775 0.647155 0.136 Uiso 0.5 1 calc R U P A 2
C31' C 0.255(3) 0.808(3) 0.668(3) 0.186(17) Uani 0.5 1 d D U P A 2
H31C H 0.326542 0.804674 0.620309 0.223 Uiso 0.5 1 calc R U P A 2
H31D H 0.274701 0.734731 0.712400 0.223 Uiso 0.5 1 calc R U P A 2
C32' C 0.260(3) 0.901(3) 0.709(3) 0.248(19) Uani 0.5 1 d D U P A 2
H32D H 0.339829 0.884142 0.727380 0.371 Uiso 0.5 1 calc R U P A 2
H32E H 0.248115 0.976502 0.666269 0.371 Uiso 0.5 1 calc R U P A 2
H32F H 0.195512 0.905531 0.759713 0.371 Uiso 0.5 1 calc R U P A 2
O8' O 0.0213(12) 0.6867(13) 0.5892(10) 0.116(6) Uani 0.5 1 d D U P A 2
C33' C -0.0888(18) 0.7853(19) 0.5932(11) 0.134(9) Uani 0.5 1 d D U P A 2
H33C H -0.076589 0.832858 0.631202 0.160 Uiso 0.5 1 calc R U P A 2
H33D H -0.158702 0.749944 0.624368 0.160 Uiso 0.5 1 calc R U P A 2
C34' C -0.1296(16) 0.8714(16) 0.5102(10) 0.080(5) Uani 0.5 1 d D U P A 2
H34D H -0.203396 0.929455 0.526637 0.120 Uiso 0.5 1 calc R U P A 2
H34E H -0.064377 0.911722 0.478972 0.120 Uiso 0.5 1 calc R U P A 2
H34F H -0.147115 0.828175 0.472087 0.120 Uiso 0.5 1 calc R U P A 2
O9' O 0.0629(9) 0.6378(9) 0.7402(5) 0.079(3) Uani 0.5 1 d D U P A 2
C35' C 0.0300(13) 0.5127(15) 0.7701(8) 0.065(4) Uani 0.5 1 d D U P A 2
H35C H -0.024253 0.508306 0.731309 0.078 Uiso 0.5 1 calc R U P A 2
H35D H 0.106093 0.451679 0.762101 0.078 Uiso 0.5 1 calc R U P A 2
C36' C -0.033(2) 0.4843(17) 0.8663(8) 0.095(7) Uani 0.5 1 d D U P A 2
H36D H -0.050268 0.406022 0.879559 0.143 Uiso 0.5 1 calc R U P A 2
H36E H 0.020758 0.486147 0.905556 0.143 Uiso 0.5 1 calc R U P A 2
H36F H -0.109808 0.542869 0.874713 0.143 Uiso 0.5 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O5 2.295(3) . ?
Dy1 O5 2.297(3) 2_666 ?
Dy1 O7 2.301(4) . ?
Dy1 O1 2.319(3) . ?
Dy1 N2 2.379(4) . ?
Dy1 N1 2.392(5) . ?
Dy1 O6 2.596(4) 2_666 ?
Dy1 O4 2.657(4) . ?
Dy1 Dy1 3.8713(10) 2_666 ?
P1 O1 1.468(3) . ?
P1 O2 1.556(4) . ?
P1 O3 1.564(4) . ?
P1 C1 1.794(5) . ?
S1 C20 1.616(6) . ?
S2 C21 1.622(5) . ?
O2 C16 1.451(7) . ?
O3 C18 1.456(6) . ?
O4 C24 1.364(7) . ?
O4 C22 1.418(7) . ?
O5 C23 1.338(6) . ?
O6 C28 1.378(6) . ?
O6 C29 1.430(7) . ?
N1 C20 1.150(7) . ?
N2 C21 1.138(7) . ?
C1 C2 1.518(6) . ?
C2 C3 1.406(8) . ?
C2 C15 1.406(7) . ?
C3 C4 1.430(8) . ?
C3 C8 1.438(7) . ?
C4 C5 1.359(8) . ?
C5 C6 1.405(11) . ?
C6 C7 1.337(11) . ?
C7 C8 1.423(10) . ?
C8 C9 1.368(10) . ?
C9 C10 1.388(10) . ?
C10 C11 1.416(9) . ?
C10 C15 1.445(8) . ?
C11 C12 1.352(12) . ?
C12 C13 1.420(12) . ?
C13 C14 1.368(9) . ?
C14 C15 1.419(8) . ?
C16 C17 1.504(9) . ?
C18 C19 1.500(9) . ?
C23 C28 1.386(8) . ?
C23 C24 1.403(7) . ?
C24 C25 1.384(8) . ?
C25 C26 1.380(10) . ?
C26 C27 1.374(9) . ?
C27 C28 1.390(7) . ?
P2 O7 1.442(4) . ?
P2 O9' 1.477(7) . ?
P2 O8 1.524(6) . ?
P2 O8' 1.530(8) . ?
P2 O9 1.558(7) . ?
P2 C30' 1.692(12) . ?
P2 C30 1.698(10) . ?
C30 C31 1.458(11) . ?
C31 C32 1.472(8) . ?
O8 C33 1.495(12) . ?
C33 C34 1.521(8) . ?
O9 C35 1.497(12) . ?
C35 C36 1.527(8) . ?
C30' C31' 1.459(11) . ?
C31' C32' 1.465(11) . ?
O8' C33' 1.492(12) . ?
C33' C34' 1.534(10) . ?
O9' C35' 1.587(17) . ?
C35' C36' 1.545(10) . ?

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
O5 Dy1 O5 65.06(12) . 2_666 ?
O5 Dy1 O7 81.22(13) . . ?
O5 Dy1 O7 123.10(13) 2_666 . ?
O5 Dy1 O1 115.68(12) . . ?
O5 Dy1 O1 79.23(11) 2_666 . ?
O7 Dy1 O1 76.06(13) . . ?
O5 Dy1 N2 92.99(14) . . ?
O5 Dy1 N2 91.47(13) 2_666 . ?
O7 Dy1 N2 136.70(15) . . ?
O1 Dy1 N2 141.42(15) . . ?
O5 Dy1 N1 150.31(15) . . ?
O5 Dy1 N1 143.88(15) 2_666 . ?
O7 Dy1 N1 82.55(16) . . ?
O1 Dy1 N1 83.96(15) . . ?
N2 Dy1 N1 82.09(16) . . ?
O5 Dy1 O6 125.93(11) . 2_666 ?
O5 Dy1 O6 64.44(11) 2_666 2_666 ?
O7 Dy1 O6 144.78(13) . 2_666 ?
O1 Dy1 O6 71.86(12) . 2_666 ?
N2 Dy1 O6 70.37(14) . 2_666 ?
N1 Dy1 O6 80.03(15) . 2_666 ?
O5 Dy1 O4 63.15(11) . . ?
O5 Dy1 O4 123.38(11) 2_666 . ?
O7 Dy1 O4 68.95(13) . . ?
O1 Dy1 O4 144.80(12) . . ?
N2 Dy1 O4 70.23(14) . . ?
N1 Dy1 O4 87.83(15) . . ?
O6 Dy1 O4 139.96(12) 2_666 . ?
O5 Dy1 Dy1 32.55(7) . 2_666 ?
O5 Dy1 Dy1 32.52(8) 2_666 2_666 ?
O7 Dy1 Dy1 103.50(10) . 2_666 ?
O1 Dy1 Dy1 98.39(9) . 2_666 ?
N2 Dy1 Dy1 92.64(11) . 2_666 ?
N1 Dy1 Dy1 173.86(12) . 2_666 ?
O6 Dy1 Dy1 95.28(8) 2_666 2_666 ?
O4 Dy1 Dy1 93.36(8) . 2_666 ?
O1 P1 O2 115.4(2) . . ?
O1 P1 O3 108.0(2) . . ?
O2 P1 O3 107.7(2) . . ?
O1 P1 C1 112.7(2) . . ?
O2 P1 C1 102.8(2) . . ?
O3 P1 C1 110.2(2) . . ?
P1 O1 Dy1 174.4(2) . . ?
C16 O2 P1 122.3(4) . . ?
C18 O3 P1 126.2(4) . . ?
C24 O4 C22 118.2(5) . . ?
C24 O4 Dy1 113.9(3) . . ?
C22 O4 Dy1 127.7(4) . . ?
C23 O5 Dy1 124.0(3) . . ?
C23 O5 Dy1 121.0(3) . 2_666 ?
Dy1 O5 Dy1 114.94(12) . 2_666 ?
C28 O6 C29 117.4(4) . . ?
C28 O6 Dy1 113.4(3) . 2_666 ?
C29 O6 Dy1 129.2(3) . 2_666 ?
C20 N1 Dy1 148.2(4) . . ?
C21 N2 Dy1 175.2(5) . . ?
C2 C1 P1 114.7(3) . . ?
C3 C2 C15 121.2(5) . . ?
C3 C2 C1 120.1(5) . . ?
C15 C2 C1 118.7(5) . . ?
C2 C3 C4 124.5(5) . . ?
C2 C3 C8 119.3(5) . . ?
C4 C3 C8 116.2(5) . . ?
C5 C4 C3 121.8(6) . . ?
C4 C5 C6 121.2(7) . . ?
C7 C6 C5 119.4(7) . . ?
C6 C7 C8 122.2(6) . . ?
C9 C8 C7 121.5(6) . . ?
C9 C8 C3 119.3(6) . . ?
C7 C8 C3 119.2(6) . . ?
C8 C9 C10 122.4(5) . . ?
C9 C10 C11 121.7(6) . . ?
C9 C10 C15 119.7(5) . . ?
C11 C10 C15 118.7(7) . . ?
C12 C11 C10 121.5(7) . . ?
C11 C12 C13 120.6(7) . . ?
C14 C13 C12 119.8(8) . . ?
C13 C14 C15 121.6(6) . . ?
C2 C15 C14 123.9(5) . . ?
C2 C15 C10 118.2(5) . . ?
C14 C15 C10 117.9(5) . . ?
O2 C16 C17 106.4(6) . . ?
O3 C18 C19 108.6(5) . . ?
N1 C20 S1 178.6(5) . . ?
N2 C21 S2 176.9(6) . . ?
O5 C23 C28 121.1(4) . . ?
O5 C23 C24 120.0(5) . . ?
C28 C23 C24 119.0(5) . . ?
O4 C24 C25 126.9(5) . . ?
O4 C24 C23 113.2(4) . . ?
C25 C24 C23 119.8(5) . . ?
C26 C25 C24 119.8(5) . . ?
C27 C26 C25 121.5(5) . . ?
C26 C27 C28 118.7(6) . . ?
O6 C28 C23 113.1(4) . . ?
O6 C28 C27 125.7(5) . . ?
C23 C28 C27 121.1(5) . . ?
O7 P2 O9' 122.9(4) . . ?
O7 P2 O8 115.9(4) . . ?
O7 P2 O8' 105.3(6) . . ?
O9' P2 O8' 109.2(8) . . ?
O7 P2 O9 111.3(5) . . ?
O8 P2 O9 112.6(7) . . ?
O7 P2 C30' 109.2(7) . . ?
O9' P2 C30' 105.2(9) . . ?
O8' P2 C30' 103.6(9) . . ?
O7 P2 C30 112.2(4) . . ?
O8 P2 C30 104.0(5) . . ?
O9 P2 C30 99.3(6) . . ?
P2 O7 Dy1 171.9(3) . . ?
C31 C30 P2 114.8(11) . . ?
C30 C31 C32 129.9(15) . . ?
C33 O8 P2 116.5(8) . . ?
O8 C33 C34 125.9(12) . . ?
C35 O9 P2 129.2(10) . . ?
O9 C35 C36 124.0(12) . . ?
C31' C30' P2 124(2) . . ?
C30' C31' C32' 131.5(19) . . ?
C33' O8' P2 122.8(14) . . ?
O8' C33' C34' 121.9(11) . . ?
P2 O9' C35' 111.7(7) . . ?
C36' C35' O9' 114.5(10) . . ?

_refine_diff_density_max         1.025
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.107

####################################################################### 
# 
# 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 2456346'
loop_
_audit_author_name
_audit_author_address
'Yehui Qin'
;Nanjing University
China
;
_audit_update_record             
;
2025-06-04 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H49 Dy N2 O9 P2 S2'
_chemical_formula_weight         954.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7534(6)
_cell_length_b                   11.9133(6)
_cell_length_c                   15.7506(8)
_cell_angle_alpha                77.9280(10)
_cell_angle_beta                 87.0620(10)
_cell_angle_gamma                73.6640(10)
_cell_volume                     2069.52(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9907
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      27.515

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_F_000             970
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    2.036
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6364
_exptl_absorpt_correction_T_max  0.7556
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_standards_number         0
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14994
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.180
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_full        25.024
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_point_group_measured_fraction_full 0.960
_reflns_number_total             7004
_reflns_number_gt                6205
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0622P)²+9.6416P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7004
_refine_ls_number_parameters     478
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.1277
_refine_ls_wR_factor_gt          0.1177
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.062
_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
Dy1 Dy 0.62555(2) 0.57074(2) 0.45399(2) 0.02617(11) Uani 1 1 d . . . . .
P1 P 0.54079(16) 0.66052(15) 0.21415(10) 0.0359(4) Uani 1 1 d . . . . .
P2 P 0.83919(18) 0.35348(19) 0.34470(15) 0.0509(5) Uani 1 1 d . U . . .
S1 S 0.8402(2) 0.8366(2) 0.27899(15) 0.0683(7) Uani 1 1 d . . . . .
S2 S 0.6472(3) 0.7843(2) 0.70434(17) 0.0768(8) Uani 1 1 d . . . . .
O1 O 0.5836(4) 0.6177(4) 0.3048(3) 0.0435(12) Uani 1 1 d . . . . .
O2 O 0.6326(5) 0.5898(4) 0.1561(3) 0.0437(11) Uani 1 1 d . . . . .
O3 O 0.4182(5) 0.6415(4) 0.1992(3) 0.0500(13) Uani 1 1 d . . . . .
O4 O 0.4871(4) 0.7872(4) 0.4127(3) 0.0359(10) Uani 1 1 d . . . . .
O5 O 0.4270(3) 0.5874(3) 0.4587(3) 0.0292(9) Uani 1 1 d . . . . .
O6 O 0.2187(4) 0.5665(4) 0.4252(3) 0.0327(10) Uani 1 1 d . . . . .
O7 O 0.7533(4) 0.4154(4) 0.4020(3) 0.0406(11) Uani 1 1 d . . . . .
O8 O 0.7862(7) 0.2792(7) 0.2956(5) 0.091(2) Uani 1 1 d D U . . .
C34 C 0.6743(8) 0.2523(8) 0.3140(6) 0.075(3) Uani 1 1 d D U . . .
H34A H 0.640317 0.245973 0.259534 0.089 Uiso 1 1 calc R U . . .
H34B H 0.618456 0.318581 0.336429 0.089 Uiso 1 1 calc R U . . .
C35 C 0.6866(9) 0.1397(9) 0.3783(7) 0.085(3) Uani 1 1 d D U . . .
H35A H 0.608744 0.124730 0.388921 0.127 Uiso 1 1 calc R U . . .
H35B H 0.740534 0.073520 0.355874 0.127 Uiso 1 1 calc R U . . .
H35C H 0.718679 0.146108 0.432749 0.127 Uiso 1 1 calc R U . . .
O9 O 0.9564(7) 0.2785(8) 0.3928(6) 0.115(3) Uani 1 1 d D U . . .
C36 C 0.9786(10) 0.1671(11) 0.4496(9) 0.125(4) Uani 1 1 d D U . . .
H36A H 0.962990 0.107576 0.419754 0.150 Uiso 1 1 calc R U . . .
H36B H 0.925575 0.172928 0.500382 0.150 Uiso 1 1 calc R U . . .
C37 C 1.1035(9) 0.1293(10) 0.4786(8) 0.093(3) Uani 1 1 d D U . . .
H37A H 1.119819 0.051421 0.518384 0.139 Uiso 1 1 calc R U . . .
H37B H 1.155472 0.123169 0.428082 0.139 Uiso 1 1 calc R U . . .
H37C H 1.118165 0.188331 0.508475 0.139 Uiso 1 1 calc R U . . .
N1 N 0.7746(6) 0.6697(6) 0.4076(4) 0.0490(15) Uani 1 1 d . . . . .
N2 N 0.6214(5) 0.6697(5) 0.5717(4) 0.0390(13) Uani 1 1 d . . . . .
C1 C 0.5157(7) 0.8211(6) 0.1819(4) 0.0387(15) Uani 1 1 d . . . . .
H1A H 0.439444 0.857281 0.208203 0.046 Uiso 1 1 calc R U . . .
H1B H 0.577883 0.840389 0.211605 0.046 Uiso 1 1 calc R U . . .
C2 C 0.5113(7) 0.8912(6) 0.0867(4) 0.0405(16) Uani 1 1 d . . . . .
C3 C 0.4107(7) 0.8809(6) 0.0337(5) 0.0403(16) Uani 1 1 d . . . . .
C4 C 0.3101(7) 0.8514(6) 0.0701(5) 0.051(2) Uani 1 1 d . . . . .
H4A H 0.302948 0.833866 0.131484 0.062 Uiso 1 1 calc R U . . .
C5 C 0.2195(9) 0.8471(8) 0.0184(7) 0.071(3) Uani 1 1 d . . . . .
H5A H 0.152142 0.825058 0.044412 0.085 Uiso 1 1 calc R U . . .
C6 C 0.2279(9) 0.8752(8) -0.0715(6) 0.069(3) Uani 1 1 d . . . . .
H6A H 0.167105 0.871633 -0.107467 0.082 Uiso 1 1 calc R U . . .
C7 C 0.3262(9) 0.9085(7) -0.1078(5) 0.061(2) Uani 1 1 d . . . . .
H7A H 0.332574 0.927216 -0.169195 0.073 Uiso 1 1 calc R U . . .
C8 C 0.4143(7) 0.9149(6) -0.0572(5) 0.0456(18) Uani 1 1 d . . . . .
C9 C 0.5144(7) 0.9654(6) -0.0954(4) 0.0463(18) Uani 1 1 d . . . . .
H9A H 0.520428 0.964317 -0.156229 0.056 Uiso 1 1 d R U . . .
C10 C 0.6260(7) 0.8919(6) -0.0514(5) 0.0449(17) Uani 1 1 d . . . . .
C11 C 0.7319(8) 0.8638(7) -0.0984(5) 0.053(2) Uani 1 1 d . . . . .
H11A H 0.730216 0.884763 -0.159983 0.063 Uiso 1 1 calc R U . . .
C12 C 0.8376(9) 0.8062(8) -0.0553(6) 0.069(3) Uani 1 1 d . . . . .
H12A H 0.908720 0.787329 -0.087367 0.083 Uiso 1 1 calc R U . . .
C13 C 0.8413(8) 0.7757(8) 0.0332(6) 0.064(2) Uani 1 1 d . . . . .
H13A H 0.914945 0.737954 0.062784 0.076 Uiso 1 1 calc R U . . .
C14 C 0.7352(7) 0.8008(7) 0.0804(5) 0.0498(18) Uani 1 1 d . . . . .
H14A H 0.737951 0.778875 0.142020 0.060 Uiso 1 1 calc R U . . .
C15 C 0.6295(7) 0.8553(6) 0.0398(4) 0.0390(16) Uani 1 1 d . . . . .
C16 C 0.6103(10) 0.5742(8) 0.0694(5) 0.063(2) Uani 1 1 d . . . . .
H16A H 0.651099 0.621385 0.025380 0.075 Uiso 1 1 calc R U . . .
H16B H 0.524236 0.602925 0.056392 0.075 Uiso 1 1 calc R U . . .
C17 C 0.6544(13) 0.4475(10) 0.0660(8) 0.102(4) Uani 1 1 d . . . . .
H17A H 0.639688 0.436521 0.007972 0.152 Uiso 1 1 calc R U . . .
H17B H 0.739739 0.419820 0.078353 0.152 Uiso 1 1 calc R U . . .
H17C H 0.613223 0.401410 0.109281 0.152 Uiso 1 1 calc R U . . .
C18 C 0.3882(7) 0.5301(7) 0.2338(5) 0.0507(19) Uani 1 1 d . . . . .
H18A H 0.386520 0.515053 0.298062 0.061 Uiso 1 1 calc R U . . .
H18B H 0.447668 0.462277 0.215742 0.061 Uiso 1 1 calc R U . . .
C19 C 0.2692(9) 0.5431(9) 0.1985(7) 0.074(3) Uani 1 1 d . . . . .
H19A H 0.245751 0.469639 0.220429 0.111 Uiso 1 1 calc R U . . .
H19B H 0.211229 0.610413 0.216926 0.111 Uiso 1 1 calc R U . . .
H19C H 0.272102 0.557874 0.134976 0.111 Uiso 1 1 calc R U . . .
C20 C 0.8007(6) 0.7395(6) 0.3535(5) 0.0425(17) Uani 1 1 d . . . . .
C21 C 0.6332(7) 0.7187(6) 0.6249(5) 0.0430(17) Uani 1 1 d . . . . .
C22 C 0.3729(5) 0.7928(6) 0.3904(4) 0.0311(13) Uani 1 1 d . . . . .
C23 C 0.3452(5) 0.6857(5) 0.4160(3) 0.0226(11) Uani 1 1 d . . . . .
C24 C 0.2359(5) 0.6783(5) 0.3950(4) 0.0280(12) Uani 1 1 d . . . . .
C25 C 0.1530(6) 0.7768(6) 0.3498(4) 0.0376(15) Uani 1 1 d . . . . .
H25A H 0.077226 0.771116 0.336395 0.045 Uiso 1 1 calc R U . . .
C26 C 0.1819(6) 0.8846(6) 0.3241(4) 0.0370(15) Uani 1 1 d . . . . .
C27 C 0.2914(6) 0.8929(5) 0.3456(4) 0.0316(13) Uani 1 1 d . . . . .
H27A H 0.310584 0.966797 0.329663 0.038 Uiso 1 1 calc R U . . .
C28 C 0.0921(6) 0.9916(6) 0.2728(5) 0.0468(18) Uani 1 1 d . . . . .
H28A H 0.020212 0.969284 0.263724 0.070 Uiso 1 1 calc R U . . .
H28B H 0.072415 1.056465 0.305051 0.070 Uiso 1 1 calc R U . . .
H28C H 0.125707 1.018209 0.216500 0.070 Uiso 1 1 calc R U . . .
C29 C 0.5148(6) 0.8985(6) 0.4093(5) 0.0412(16) Uani 1 1 d . . . . .
H29A H 0.597755 0.882246 0.426451 0.062 Uiso 1 1 calc R U . . .
H29B H 0.502347 0.946019 0.350003 0.062 Uiso 1 1 calc R U . . .
H29C H 0.463071 0.942850 0.449079 0.062 Uiso 1 1 calc R U . . .
C30 C 0.1070(6) 0.5500(6) 0.4088(6) 0.0478(19) Uani 1 1 d . . . . .
H30A H 0.107142 0.467311 0.433561 0.072 Uiso 1 1 calc R U . . .
H30B H 0.044000 0.604544 0.435542 0.072 Uiso 1 1 calc R U . . .
H30C H 0.093082 0.566691 0.346009 0.072 Uiso 1 1 calc R U . . .
C31 C 0.8932(7) 0.4514(8) 0.2607(5) 0.0527(19) Uani 1 1 d . . . . .
H31A H 0.824878 0.505234 0.224828 0.063 Uiso 1 1 calc R U . . .
H31B H 0.928182 0.501772 0.288085 0.063 Uiso 1 1 calc R U . . .
C32 C 0.9841(9) 0.3916(11) 0.2016(7) 0.083(3) Uani 1 1 d . . . . .
H32A H 1.058076 0.349056 0.235197 0.100 Uiso 1 1 calc R U . . .
H32B H 0.954910 0.331261 0.181535 0.100 Uiso 1 1 calc R U . . .
C33 C 1.0114(10) 0.4733(10) 0.1261(7) 0.087(3) Uani 1 1 d . . . . .
H33A H 1.070950 0.428292 0.090760 0.131 Uiso 1 1 calc R U . . .
H33B H 0.939170 0.514452 0.091399 0.131 Uiso 1 1 calc R U . . .
H33C H 1.042474 0.532271 0.145133 0.131 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O5 2.285(4) . ?
Dy1 O7 2.301(5) . ?
Dy1 O5 2.303(4) 2_666 ?
Dy1 O1 2.344(4) . ?
Dy1 N1 2.380(6) . ?
Dy1 N2 2.389(6) . ?
Dy1 O4 2.601(4) . ?
Dy1 O6 2.649(4) 2_666 ?
Dy1 Dy1 3.8717(5) 2_666 ?
P1 O1 1.474(4) . ?
P1 O2 1.555(5) . ?
P1 O3 1.557(5) . ?
P1 C1 1.815(6) . ?
P2 O7 1.464(5) . ?
P2 O9 1.550(8) . ?
P2 O8 1.554(7) . ?
P2 C31 1.789(8) . ?
S1 C20 1.616(7) . ?
S2 C21 1.644(8) . ?
O2 C16 1.463(9) . ?
O3 C18 1.458(8) . ?
O4 C22 1.385(7) . ?
O4 C29 1.441(7) . ?
O5 C23 1.361(6) . ?
O6 C24 1.385(7) . ?
O6 C30 1.424(8) . ?
O8 C34 1.441(8) . ?
C34 C35 1.478(8) . ?
O9 C36 1.401(8) . ?
C36 C37 1.475(9) . ?
N1 C20 1.153(9) . ?
N2 C21 1.151(9) . ?
C1 C2 1.552(8) . ?
C2 C3 1.529(10) . ?
C2 C15 1.533(10) . ?
C2 C9 1.683(10) 2_675 ?
C3 C4 1.389(11) . ?
C3 C8 1.407(10) . ?
C4 C5 1.392(11) . ?
C5 C6 1.390(14) . ?
C6 C7 1.383(13) . ?
C7 C8 1.367(11) . ?
C8 C9 1.510(11) . ?
C9 C10 1.470(11) . ?
C10 C11 1.408(11) . ?
C10 C15 1.411(9) . ?
C11 C12 1.374(13) . ?
C12 C13 1.365(13) . ?
C13 C14 1.410(12) . ?
C14 C15 1.352(11) . ?
C16 C17 1.463(14) . ?
C18 C19 1.487(12) . ?
C22 C23 1.380(8) . ?
C22 C27 1.382(9) . ?
C23 C24 1.373(8) . ?
C24 C25 1.383(9) . ?
C25 C26 1.393(9) . ?
C26 C27 1.383(9) . ?
C26 C28 1.513(8) . ?
C31 C32 1.504(12) . ?
C32 C33 1.455(13) . ?

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
O5 Dy1 O7 119.56(16) . . ?
O5 Dy1 O5 64.89(15) . 2_666 ?
O7 Dy1 O5 80.43(16) . 2_666 ?
O5 Dy1 O1 80.51(16) . . ?
O7 Dy1 O1 76.09(16) . . ?
O5 Dy1 O1 119.88(16) 2_666 . ?
O5 Dy1 N1 145.92(19) . . ?
O7 Dy1 N1 83.9(2) . . ?
O5 Dy1 N1 148.38(19) 2_666 . ?
O1 Dy1 N1 82.1(2) . . ?
O5 Dy1 N2 94.39(18) . . ?
O7 Dy1 N2 137.11(18) . . ?
O5 Dy1 N2 92.87(17) 2_666 . ?
O1 Dy1 N2 139.38(18) . . ?
N1 Dy1 N2 80.3(2) . . ?
O5 Dy1 O4 64.48(13) . . ?
O7 Dy1 O4 145.25(15) . . ?
O5 Dy1 O4 124.93(14) 2_666 . ?
O1 Dy1 O4 70.58(16) . . ?
N1 Dy1 O4 82.15(19) . . ?
N2 Dy1 O4 70.95(17) . . ?
O5 Dy1 O6 124.72(13) . 2_666 ?
O7 Dy1 O6 69.00(15) . 2_666 ?
O5 Dy1 O6 63.45(13) 2_666 2_666 ?
O1 Dy1 O6 143.91(16) . 2_666 ?
N1 Dy1 O6 85.34(18) . 2_666 ?
N2 Dy1 O6 70.17(17) . 2_666 ?
O4 Dy1 O6 140.61(14) . 2_666 ?
O5 Dy1 Dy1 32.59(9) . 2_666 ?
O7 Dy1 Dy1 101.08(12) . 2_666 ?
O5 Dy1 Dy1 32.30(10) 2_666 2_666 ?
O1 Dy1 Dy1 101.48(12) . 2_666 ?
N1 Dy1 Dy1 174.45(17) . 2_666 ?
N2 Dy1 Dy1 94.30(14) . 2_666 ?
O4 Dy1 Dy1 94.95(9) . 2_666 ?
O6 Dy1 Dy1 94.02(9) 2_666 2_666 ?
O1 P1 O2 107.9(3) . . ?
O1 P1 O3 113.7(3) . . ?
O2 P1 O3 107.7(3) . . ?
O1 P1 C1 110.7(3) . . ?
O2 P1 C1 113.0(3) . . ?
O3 P1 C1 103.8(3) . . ?
O7 P2 O9 112.1(4) . . ?
O7 P2 O8 112.6(4) . . ?
O9 P2 O8 112.3(5) . . ?
O7 P2 C31 113.9(3) . . ?
O9 P2 C31 100.7(4) . . ?
O8 P2 C31 104.5(4) . . ?
P1 O1 Dy1 171.3(3) . . ?
C16 O2 P1 126.1(5) . . ?
C18 O3 P1 123.2(4) . . ?
C22 O4 C29 117.6(5) . . ?
C22 O4 Dy1 113.8(3) . . ?
C29 O4 Dy1 128.6(4) . . ?
C23 O5 Dy1 122.5(3) . . ?
C23 O5 Dy1 122.3(3) . 2_666 ?
Dy1 O5 Dy1 115.11(15) . 2_666 ?
C24 O6 C30 118.2(5) . . ?
C24 O6 Dy1 113.3(3) . 2_666 ?
C30 O6 Dy1 125.9(4) . 2_666 ?
P2 O7 Dy1 159.1(3) . . ?
C34 O8 P2 125.6(7) . . ?
O8 C34 C35 112.1(8) . . ?
C36 O9 P2 128.1(8) . . ?
O9 C36 C37 108.9(9) . . ?
C20 N1 Dy1 144.2(6) . . ?
C21 N2 Dy1 171.4(6) . . ?
C2 C1 P1 124.9(5) . . ?
C3 C2 C15 110.0(6) . . ?
C3 C2 C1 112.8(6) . . ?
C15 C2 C1 112.5(6) . . ?
C3 C2 C9 108.6(5) . 2_675 ?
C15 C2 C9 108.1(5) . 2_675 ?
C1 C2 C9 104.5(5) . 2_675 ?
C4 C3 C8 117.8(7) . . ?
C4 C3 C2 123.9(6) . . ?
C8 C3 C2 118.0(6) . . ?
C3 C4 C5 121.3(8) . . ?
C6 C5 C4 119.8(9) . . ?
C7 C6 C5 119.0(8) . . ?
C8 C7 C6 121.4(8) . . ?
C7 C8 C3 120.5(8) . . ?
C7 C8 C9 122.0(7) . . ?
C3 C8 C9 117.4(6) . . ?
C10 C9 C8 109.2(6) . . ?
C10 C9 C2 110.7(6) . 2_675 ?
C8 C9 C2 111.3(6) . 2_675 ?
C11 C10 C15 119.1(7) . . ?
C11 C10 C9 121.0(7) . . ?
C15 C10 C9 119.8(7) . . ?
C12 C11 C10 120.2(8) . . ?
C13 C12 C11 120.5(9) . . ?
C12 C13 C14 119.5(9) . . ?
C15 C14 C13 121.3(8) . . ?
C14 C15 C10 119.3(7) . . ?
C14 C15 C2 124.3(6) . . ?
C10 C15 C2 116.1(6) . . ?
O2 C16 C17 109.1(7) . . ?
O3 C18 C19 107.0(6) . . ?
N1 C20 S1 178.7(7) . . ?
N2 C21 S2 177.2(7) . . ?
C23 C22 C27 120.9(5) . . ?
C23 C22 O4 113.6(5) . . ?
C27 C22 O4 125.6(5) . . ?
O5 C23 C24 120.4(5) . . ?
O5 C23 C22 120.2(5) . . ?
C24 C23 C22 119.3(5) . . ?
C23 C24 C25 121.0(6) . . ?
C23 C24 O6 113.7(5) . . ?
C25 C24 O6 125.3(5) . . ?
C24 C25 C26 119.3(6) . . ?
C27 C26 C25 120.0(6) . . ?
C27 C26 C28 120.8(6) . . ?
C25 C26 C28 119.2(6) . . ?
C22 C27 C26 119.5(6) . . ?
C32 C31 P2 115.8(7) . . ?
C33 C32 C31 114.1(9) . . ?

_refine_diff_density_max         1.581
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.136

####################################################################### 
# 
# 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_1UV
_database_code_depnum_ccdc_archive 'CCDC 2456341'
loop_
_audit_author_name
_audit_author_address
'Yehui Qin'
;Nanjing University
China
;
_audit_update_record             
;
2025-06-04 deposited with the CCDC.	2025-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H94 Dy2 N4 O18 P4 S4'
_chemical_formula_weight         1880.63

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5836(7)
_cell_length_b                   12.1600(6)
_cell_length_c                   15.5974(7)
_cell_angle_alpha                76.572(2)
_cell_angle_beta                 78.797(2)
_cell_angle_gamma                72.220(2)
_cell_volume                     2016.74(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    7280
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_F_000             954
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    2.088
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6011
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_standards_number         0
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14785
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.863
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             7070
_reflns_number_gt                6127
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0136P)²+5.4541P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7070
_refine_ls_number_parameters     522
_refine_ls_number_restraints     135
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0841
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.010
_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
Dy1 Dy 0.36605(2) 0.43013(2) 0.55165(2) 0.02414(8) Uani 1 1 d . . . . .
P1 P 0.43221(15) 0.34062(13) 0.79032(9) 0.0348(4) Uani 1 1 d . . . . .
S1 S 0.1084(2) 0.1932(2) 0.75193(13) 0.0727(7) Uani 1 1 d . . . . .
S2 S 0.3768(9) 0.2132(12) 0.3002(9) 0.077(3) Uani 0.4 1 d D . P A 1
C21 C 0.378(3) 0.284(3) 0.377(2) 0.036(8) Uani 0.4 1 d D U P A 1
S2' S 0.4330(6) 0.1999(7) 0.2981(5) 0.0614(17) Uani 0.6 1 d D . P A 2
C21' C 0.409(2) 0.277(2) 0.3752(14) 0.034(5) Uani 0.6 1 d D U P A 2
O1 O 0.3973(4) 0.3807(3) 0.6995(2) 0.0379(10) Uani 1 1 d . . . . .
O2 O 0.5522(4) 0.3660(3) 0.8001(3) 0.0501(12) Uani 1 1 d . . . . .
O3 O 0.3270(5) 0.4076(4) 0.8546(3) 0.0538(13) Uani 1 1 d . . . . .
O4 O 0.2204(3) 0.5709(3) 0.4365(2) 0.0343(9) Uani 1 1 d . . . . .
O5 O 0.4283(3) 0.5891(3) 0.4651(2) 0.0260(8) Uani 1 1 d . . . . .
O6 O 0.4955(3) 0.7845(3) 0.4187(2) 0.0337(9) Uani 1 1 d . . . . .
N1 N 0.2099(5) 0.3314(4) 0.6078(3) 0.0427(13) Uani 1 1 d . . . . .
N2 N 0.3857(5) 0.3350(4) 0.4289(3) 0.0366(12) Uani 1 1 d D . . . .
C1 C 0.4614(6) 0.1833(5) 0.8202(3) 0.0352(14) Uani 1 1 d . . . . .
H1A H 0.393649 0.164389 0.801749 0.042 Uiso 1 1 calc R U . . .
H1B H 0.536211 0.150611 0.780932 0.042 Uiso 1 1 calc R U . . .
C2 C 0.4782(6) 0.1093(5) 0.9149(3) 0.0340(14) Uani 1 1 d . . . . .
C3 C 0.5860(6) 0.1212(5) 0.9521(4) 0.0368(14) Uani 1 1 d . . . . .
C4 C 0.6867(6) 0.1527(5) 0.8998(4) 0.0436(16) Uani 1 1 d . . . . .
H4 H 0.688712 0.172106 0.836973 0.052 Uiso 1 1 calc R U . . .
C5 C 0.7832(7) 0.1562(6) 0.9369(5) 0.0573(19) Uani 1 1 d . . . . .
H5 H 0.850400 0.179121 0.899676 0.069 Uiso 1 1 calc R U . . .
C6 C 0.7839(7) 0.1268(6) 1.0279(5) 0.062(2) Uani 1 1 d . . . . .
H6 H 0.850070 0.131118 1.053470 0.074 Uiso 1 1 calc R U . . .
C7 C 0.6869(7) 0.0908(5) 1.0812(4) 0.0499(18) Uani 1 1 d . . . . .
H7 H 0.686294 0.070181 1.143830 0.060 Uiso 1 1 calc R U . . .
C8 C 0.5906(6) 0.0849(5) 1.0433(4) 0.0382(15) Uani 1 1 d . . . . .
C9 C 0.4932(6) 0.0301(5) 1.0969(4) 0.0367(14) Uani 1 1 d . . . . .
H9 H 0.493008 0.028602 1.158751 0.044 Uiso 1 1 d R U . . .
C10 C 0.3703(6) 0.1020(5) 1.0705(4) 0.0399(15) Uani 1 1 d . . . . .
C11 C 0.2671(7) 0.1258(5) 1.1331(4) 0.0492(18) Uani 1 1 d . . . . .
H11 H 0.275091 0.104168 1.194658 0.059 Uiso 1 1 calc R U . . .
C12 C 0.1542(7) 0.1801(6) 1.1067(4) 0.058(2) Uani 1 1 d . . . . .
H12 H 0.084070 0.196271 1.149855 0.070 Uiso 1 1 calc R U . . .
C13 C 0.1423(7) 0.2114(6) 1.0167(5) 0.0541(18) Uani 1 1 d . . . . .
H13 H 0.063736 0.246298 0.998080 0.065 Uiso 1 1 calc R U . . .
C14 C 0.2454(6) 0.1915(5) 0.9544(4) 0.0437(16) Uani 1 1 d . . . . .
H14 H 0.237073 0.214150 0.892903 0.052 Uiso 1 1 calc R U . . .
C15 C 0.3605(6) 0.1391(5) 0.9802(4) 0.0355(14) Uani 1 1 d . . . . .
C16 C 0.5815(7) 0.4766(6) 0.7594(4) 0.0512(18) Uani 1 1 d . . . . .
H16A H 0.510235 0.544010 0.770445 0.061 Uiso 1 1 calc R U . . .
H16B H 0.604560 0.481529 0.694386 0.061 Uiso 1 1 calc R U . . .
C17 C 0.6857(10) 0.4781(9) 0.8011(7) 0.119(4) Uani 1 1 d . . . . .
H17A H 0.718764 0.543422 0.768312 0.178 Uiso 1 1 calc R U . . .
H17B H 0.749677 0.403780 0.799532 0.178 Uiso 1 1 calc R U . . .
H17C H 0.657468 0.488009 0.862978 0.178 Uiso 1 1 calc R U . . .
C18 C 0.3436(9) 0.4291(7) 0.9393(5) 0.077(3) Uani 1 1 d . . . . .
H18A H 0.430514 0.396471 0.948926 0.093 Uiso 1 1 calc R U . . .
H18B H 0.293426 0.390572 0.988938 0.093 Uiso 1 1 calc R U . . .
C19 C 0.3046(11) 0.5601(7) 0.9357(6) 0.113(4) Uani 1 1 d . . . . .
H19A H 0.358293 0.596821 0.888922 0.170 Uiso 1 1 calc R U . . .
H19B H 0.310232 0.576539 0.993182 0.170 Uiso 1 1 calc R U . . .
H19C H 0.220000 0.592179 0.922804 0.170 Uiso 1 1 calc R U . . .
C20 C 0.1688(5) 0.2746(5) 0.6676(4) 0.0403(15) Uani 1 1 d . . . . .
C22 C 0.1140(6) 0.5544(6) 0.4172(5) 0.0577(19) Uani 1 1 d . . . . .
H22A H 0.112576 0.472520 0.439836 0.087 Uiso 1 1 calc R U . . .
H22B H 0.113321 0.572525 0.352676 0.087 Uiso 1 1 calc R U . . .
H22C H 0.041876 0.606598 0.445609 0.087 Uiso 1 1 calc R U . . .
C23 C 0.3504(5) 0.6860(4) 0.4265(3) 0.0253(12) Uani 1 1 d . . . . .
C24 C 0.2385(5) 0.6817(5) 0.4089(3) 0.0309(13) Uani 1 1 d . . . . .
C25 C 0.1592(6) 0.7796(5) 0.3680(4) 0.0397(14) Uani 1 1 d . . . . .
H25 H 0.083738 0.775425 0.355417 0.048 Uiso 1 1 calc R U . . .
C26 C 0.1907(6) 0.8850(5) 0.3451(4) 0.0403(15) Uani 1 1 d . . . . .
H26 H 0.135512 0.953273 0.317338 0.048 Uiso 1 1 calc R U . . .
C27 C 0.2999(5) 0.8928(5) 0.3616(4) 0.0354(14) Uani 1 1 d . . . . .
H27 H 0.319900 0.965740 0.345943 0.042 Uiso 1 1 calc R U . . .
C28 C 0.3802(5) 0.7929(4) 0.4015(3) 0.0275(12) Uani 1 1 d . . . . .
C29 C 0.5258(6) 0.8913(5) 0.4139(4) 0.0428(15) Uani 1 1 d . . . . .
H29A H 0.461419 0.941556 0.449750 0.064 Uiso 1 1 calc R U . . .
H29B H 0.532811 0.932244 0.351845 0.064 Uiso 1 1 calc R U . . .
H29C H 0.603824 0.873553 0.436641 0.064 Uiso 1 1 calc R U . . .
P2 P 0.12029(17) 0.66197(16) 0.65193(13) 0.0539(5) Uani 1 1 d D U . . .
O7 O 0.2288(4) 0.5780(3) 0.6160(3) 0.0405(10) Uani 1 1 d . . . . .
C30 C 0.1388(12) 0.8029(11) 0.6339(10) 0.089(3) Uani 0.65 1 d D U P B 1
H30A H 0.145444 0.835638 0.569349 0.107 Uiso 0.65 1 calc R U P B 1
H30B H 0.066263 0.854534 0.663808 0.107 Uiso 0.65 1 calc R U P B 1
C31 C 0.2533(15) 0.8004(13) 0.6696(11) 0.098(3) Uani 0.65 1 d D U P B 1
H31A H 0.324190 0.751075 0.636488 0.117 Uiso 0.65 1 calc R U P B 1
H31B H 0.247879 0.759250 0.732402 0.117 Uiso 0.65 1 calc R U P B 1
C32 C 0.2827(16) 0.9153(13) 0.6670(12) 0.120(4) Uani 0.65 1 d D U P B 1
H32A H 0.358722 0.898313 0.692349 0.180 Uiso 0.65 1 calc R U P B 1
H32B H 0.292519 0.956613 0.605266 0.180 Uiso 0.65 1 calc R U P B 1
H32C H 0.215754 0.964836 0.701750 0.180 Uiso 0.65 1 calc R U P B 1
O8 O 0.0199(6) 0.6828(6) 0.5935(5) 0.059(2) Uani 0.65 1 d D U P B 1
C33 C -0.1051(10) 0.7649(10) 0.6044(7) 0.076(4) Uani 0.65 1 d D U P B 1
H33A H -0.114150 0.801847 0.656441 0.092 Uiso 0.65 1 calc R U P B 1
H33B H -0.166302 0.719618 0.616424 0.092 Uiso 0.65 1 calc R U P B 1
C34 C -0.1317(9) 0.8627(9) 0.5212(8) 0.060(3) Uani 0.65 1 d D U P B 1
H34A H -0.214643 0.914038 0.531766 0.089 Uiso 0.65 1 calc R U P B 1
H34B H -0.072512 0.909024 0.509662 0.089 Uiso 0.65 1 calc R U P B 1
H34C H -0.124679 0.826772 0.469633 0.089 Uiso 0.65 1 calc R U P B 1
O9 O 0.0698(7) 0.6327(6) 0.7475(4) 0.0539(19) Uani 0.65 1 d D U P B 1
C35 C 0.0433(10) 0.5157(9) 0.7733(6) 0.056(3) Uani 0.65 1 d D U P B 1
H35A H 0.122166 0.453843 0.773478 0.067 Uiso 0.65 1 calc R U P B 1
H35B H 0.000711 0.507225 0.727011 0.067 Uiso 0.65 1 calc R U P B 1
C36 C -0.0346(13) 0.4927(11) 0.8644(6) 0.083(4) Uani 0.65 1 d D U P B 1
H36A H -0.046496 0.414041 0.874770 0.125 Uiso 0.65 1 calc R U P B 1
H36B H 0.007532 0.497994 0.911428 0.125 Uiso 0.65 1 calc R U P B 1
H36C H -0.114284 0.551535 0.864823 0.125 Uiso 0.65 1 calc R U P B 1
C30' C 0.017(2) 0.594(2) 0.7261(12) 0.085(3) Uiso 0.35 1 d D U P B 2
H30C H -0.061933 0.654778 0.734461 0.103 Uiso 0.35 1 calc R U P B 2
H30D H 0.002420 0.535680 0.697716 0.103 Uiso 0.35 1 calc R U P B 2
C31' C 0.053(2) 0.533(2) 0.8177(14) 0.085(3) Uiso 0.35 1 d D U P B 2
H31C H 0.114286 0.457273 0.809759 0.103 Uiso 0.35 1 calc R U P B 2
H31D H 0.097241 0.580977 0.834881 0.103 Uiso 0.35 1 calc R U P B 2
C32' C -0.038(3) 0.505(3) 0.8979(12) 0.085(3) Uiso 0.35 1 d D U P B 2
H32D H -0.012717 0.514069 0.951644 0.128 Uiso 0.35 1 calc R U P B 2
H32E H -0.041497 0.423832 0.904142 0.128 Uiso 0.35 1 calc R U P B 2
H32F H -0.119235 0.558842 0.889697 0.128 Uiso 0.35 1 calc R U P B 2
O8' O 0.1374(15) 0.7330(13) 0.7145(9) 0.085(3) Uiso 0.35 1 d D U P B 2
C33' C 0.241(2) 0.786(3) 0.7001(16) 0.085(3) Uiso 0.35 1 d D U P B 2
H33C H 0.318088 0.722552 0.694189 0.103 Uiso 0.35 1 calc R U P B 2
H33D H 0.239057 0.816080 0.754377 0.103 Uiso 0.35 1 calc R U P B 2
C34' C 0.247(2) 0.8877(19) 0.6187(15) 0.085(3) Uiso 0.35 1 d D U P B 2
H34D H 0.331701 0.893230 0.602402 0.128 Uiso 0.35 1 calc R U P B 2
H34E H 0.194010 0.961987 0.634315 0.128 Uiso 0.35 1 calc R U P B 2
H34F H 0.220157 0.871561 0.568332 0.128 Uiso 0.35 1 calc R U P B 2
O9' O 0.0457(15) 0.7392(15) 0.5802(10) 0.085(3) Uiso 0.35 1 d D U P B 2
C35' C -0.067(2) 0.836(2) 0.5811(17) 0.085(3) Uiso 0.35 1 d D U P B 2
H35C H -0.044122 0.910262 0.560238 0.103 Uiso 0.35 1 calc R U P B 2
H35D H -0.105485 0.834459 0.643724 0.103 Uiso 0.35 1 calc R U P B 2
C36' C -0.1678(19) 0.840(3) 0.526(2) 0.085(3) Uiso 0.35 1 d D U P B 2
H36D H -0.248783 0.865562 0.559440 0.128 Uiso 0.35 1 calc R U P B 2
H36E H -0.156252 0.761073 0.513832 0.128 Uiso 0.35 1 calc R U P B 2
H36F H -0.161317 0.894762 0.469373 0.128 Uiso 0.35 1 calc R U P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O7 2.289(4) . ?
Dy1 O5 2.290(3) 2_666 ?
Dy1 O5 2.311(3) . ?
Dy1 O1 2.314(4) . ?
Dy1 N1 2.388(5) . ?
Dy1 N2 2.398(5) . ?
Dy1 O6 2.601(4) 2_666 ?
Dy1 O4 2.643(4) . ?
Dy1 Dy1 3.8884(5) 2_666 ?
P1 O1 1.480(4) . ?
P1 O2 1.554(5) . ?
P1 O3 1.566(4) . ?
P1 C1 1.801(5) . ?
S1 C20 1.631(6) . ?
S2 C21 1.627(10) . ?
C21 N2 1.166(11) . ?
S2' C21' 1.622(9) . ?
C21' N2 1.161(9) . ?
O2 C16 1.458(7) . ?
O3 C18 1.463(8) . ?
O4 C24 1.384(6) . ?
O4 C22 1.405(7) . ?
O5 C23 1.341(6) . ?
O6 C28 1.382(6) . ?
O6 C29 1.428(6) . ?
N1 C20 1.142(7) . ?
C1 C2 1.555(7) . ?
C2 C3 1.533(8) . ?
C2 C15 1.536(8) . ?
C2 C9 1.672(7) 2_657 ?
C3 C4 1.389(8) . ?
C3 C8 1.396(8) . ?
C4 C5 1.372(9) . ?
C5 C6 1.381(10) . ?
C6 C7 1.383(10) . ?
C7 C8 1.387(9) . ?
C8 C9 1.500(8) . ?
C9 C10 1.503(8) . ?
C10 C11 1.389(8) . ?
C10 C15 1.391(8) . ?
C11 C12 1.368(10) . ?
C12 C13 1.389(9) . ?
C13 C14 1.382(9) . ?
C14 C15 1.385(9) . ?
C16 C17 1.484(10) . ?
C18 C19 1.509(10) . ?
C23 C24 1.394(8) . ?
C23 C28 1.395(7) . ?
C24 C25 1.370(8) . ?
C25 C26 1.387(8) . ?
C26 C27 1.374(8) . ?
C27 C28 1.383(7) . ?
P2 O7 1.465(4) . ?
P2 O9 1.494(6) . ?
P2 O9' 1.507(8) . ?
P2 O8' 1.520(8) . ?
P2 O8 1.540(6) . ?
P2 C30 1.743(11) . ?
P2 C30' 1.753(13) . ?
C30 C31 1.524(10) . ?
C31 C32 1.527(8) . ?
O8 C33 1.491(9) . ?
C33 C34 1.551(7) . ?
O9 C35 1.495(9) . ?
C35 C36 1.543(7) . ?
C30' C31' 1.525(11) . ?
C31' C32' 1.520(11) . ?
O8' C33' 1.487(11) . ?
C33' C34' 1.560(10) . ?
O9' C35' 1.47(3) . ?
C35' C36' 1.559(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Dy1 O5 120.57(14) . 2_666 ?
O7 Dy1 O5 80.47(13) . . ?
O5 Dy1 O5 64.63(14) 2_666 . ?
O7 Dy1 O1 75.47(14) . . ?
O5 Dy1 O1 80.23(13) 2_666 . ?
O5 Dy1 O1 117.63(13) . . ?
O7 Dy1 N1 83.18(16) . . ?
O5 Dy1 N1 144.99(15) 2_666 . ?
O5 Dy1 N1 149.86(16) . . ?
O1 Dy1 N1 81.99(16) . . ?
O7 Dy1 N2 138.46(16) . . ?
O5 Dy1 N2 92.81(15) 2_666 . ?
O5 Dy1 N2 94.47(14) . . ?
O1 Dy1 N2 139.02(14) . . ?
N1 Dy1 N2 81.31(17) . . ?
O7 Dy1 O6 144.97(12) . 2_666 ?
O5 Dy1 O6 64.52(11) 2_666 2_666 ?
O5 Dy1 O6 125.25(12) . 2_666 ?
O1 Dy1 O6 71.40(13) . 2_666 ?
N1 Dy1 O6 81.30(15) . 2_666 ?
N2 Dy1 O6 69.24(14) . 2_666 ?
O7 Dy1 O4 69.95(13) . . ?
O5 Dy1 O4 123.45(11) 2_666 . ?
O5 Dy1 O4 63.29(11) . . ?
O1 Dy1 O4 144.76(13) . . ?
N1 Dy1 O4 87.36(15) . . ?
N2 Dy1 O4 71.05(14) . . ?
O6 Dy1 O4 139.88(12) 2_666 . ?
O7 Dy1 Dy1 101.60(10) . 2_666 ?
O5 Dy1 Dy1 32.48(8) 2_666 2_666 ?
O5 Dy1 Dy1 32.15(8) . 2_666 ?
O1 Dy1 Dy1 100.12(10) . 2_666 ?
N1 Dy1 Dy1 175.10(12) . 2_666 ?
N2 Dy1 Dy1 94.31(11) . 2_666 ?
O6 Dy1 Dy1 95.14(8) 2_666 2_666 ?
O4 Dy1 Dy1 93.30(8) . 2_666 ?
O1 P1 O2 114.0(2) . . ?
O1 P1 O3 107.9(2) . . ?
O2 P1 O3 107.3(3) . . ?
O1 P1 C1 109.5(2) . . ?
O2 P1 C1 105.1(3) . . ?
O3 P1 C1 113.2(2) . . ?
N2 C21 S2 176(3) . . ?
N2 C21' S2' 176(2) . . ?
P1 O1 Dy1 173.1(3) . . ?
C16 O2 P1 123.0(4) . . ?
C18 O3 P1 124.2(5) . . ?
C24 O4 C22 117.7(5) . . ?
C24 O4 Dy1 113.8(3) . . ?
C22 O4 Dy1 126.9(3) . . ?
C23 O5 Dy1 121.8(3) . 2_666 ?
C23 O5 Dy1 122.9(3) . . ?
Dy1 O5 Dy1 115.37(14) 2_666 . ?
C28 O6 C29 117.6(4) . . ?
C28 O6 Dy1 113.8(3) . 2_666 ?
C29 O6 Dy1 128.5(3) . 2_666 ?
C20 N1 Dy1 145.8(5) . . ?
C21' N2 Dy1 170.0(13) . . ?
C21 N2 Dy1 168.8(18) . . ?
C2 C1 P1 125.6(4) . . ?
C3 C2 C15 109.9(5) . . ?
C3 C2 C1 113.3(5) . . ?
C15 C2 C1 111.4(5) . . ?
C3 C2 C9 108.5(5) . 2_657 ?
C15 C2 C9 108.5(4) . 2_657 ?
C1 C2 C9 105.0(4) . 2_657 ?
C4 C3 C8 117.5(6) . . ?
C4 C3 C2 124.1(5) . . ?
C8 C3 C2 117.9(5) . . ?
C5 C4 C3 121.3(6) . . ?
C4 C5 C6 120.8(7) . . ?
C5 C6 C7 119.0(7) . . ?
C6 C7 C8 120.1(6) . . ?
C7 C8 C3 121.0(6) . . ?
C7 C8 C9 121.7(5) . . ?
C3 C8 C9 117.2(6) . . ?
C8 C9 C10 109.7(5) . . ?
C8 C9 C2 111.3(5) . 2_657 ?
C10 C9 C2 111.1(5) . 2_657 ?
C11 C10 C15 120.1(6) . . ?
C11 C10 C9 121.9(5) . . ?
C15 C10 C9 117.9(5) . . ?
C12 C11 C10 120.6(6) . . ?
C11 C12 C13 119.8(6) . . ?
C14 C13 C12 119.7(7) . . ?
C13 C14 C15 121.0(6) . . ?
C14 C15 C10 118.6(6) . . ?
C14 C15 C2 123.8(5) . . ?
C10 C15 C2 117.3(5) . . ?
O2 C16 C17 106.5(5) . . ?
O3 C18 C19 108.0(7) . . ?
N1 C20 S1 178.9(6) . . ?
O5 C23 C24 120.6(5) . . ?
O5 C23 C28 121.0(5) . . ?
C24 C23 C28 118.4(5) . . ?
C25 C24 O4 126.1(5) . . ?
C25 C24 C23 121.2(5) . . ?
O4 C24 C23 112.7(5) . . ?
C24 C25 C26 118.9(6) . . ?
C27 C26 C25 121.6(5) . . ?
C26 C27 C28 118.9(5) . . ?
O6 C28 C27 126.2(5) . . ?
O6 C28 C23 112.9(4) . . ?
C27 C28 C23 120.9(5) . . ?
O7 P2 O9 118.4(3) . . ?
O7 P2 O9' 111.9(8) . . ?
O7 P2 O8' 117.8(7) . . ?
O9' P2 O8' 111.6(10) . . ?
O7 P2 O8 107.1(3) . . ?
O9 P2 O8 109.2(4) . . ?
O7 P2 C30 112.6(5) . . ?
O9 P2 C30 107.3(6) . . ?
O8 P2 C30 100.8(5) . . ?
O7 P2 C30' 113.2(10) . . ?
O9' P2 C30' 103.7(11) . . ?
O8' P2 C30' 96.9(10) . . ?
P2 O7 Dy1 166.9(3) . . ?
C31 C30 P2 110.8(9) . . ?
C30 C31 C32 119.8(11) . . ?
C33 O8 P2 125.5(7) . . ?
O8 C33 C34 112.8(7) . . ?
P2 O9 C35 114.2(5) . . ?
O9 C35 C36 116.1(7) . . ?
C31' C30' P2 117.1(16) . . ?
C32' C31' C30' 123.2(14) . . ?
C33' O8' P2 123.6(16) . . ?
O8' C33' C34' 117.8(11) . . ?
C35' O9' P2 133.2(17) . . ?
O9' C35' C36' 119.1(18) . . ?

_refine_diff_density_max         0.751
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.118

