# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_125-w7
_database_code_depnum_ccdc_archive 'CCDC 2131713'
loop_
_audit_author_name
_audit_author_address
'Ji-Dong Leng'
;Guangzhou University
China
;
_audit_update_record             
;
2021-12-30 deposited with the CCDC.	2022-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-12-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H36 Cl3 Dy O3 P3, 1.75(C H4 O)'
_chemical_formula_sum            'C40.75 H43 Cl3 Dy O4.75 P3'
_chemical_formula_weight         970.51
_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'
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'

_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                   12.7559(5)
_cell_length_b                   13.5242(6)
_cell_length_c                   14.6360(4)
_cell_angle_alpha                105.698(3)
_cell_angle_beta                 97.442(3)
_cell_angle_gamma                115.579(4)
_cell_volume                     2102.43(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11689
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      27.6720
_cell_measurement_theta_min      2.6800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.123
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             975
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_av_unetI/netI     0.0801
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37423
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.589
_diffrn_reflns_theta_min         2.025
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  59.00   1.00    3.00    --  -11.59  57.00 120.00   98
  2  ω     36.00  66.00   1.00    3.00    --   11.74 178.00 -30.00   30
  3  ω    -56.00 -29.00   1.00    3.00    --   11.74 -37.00 -30.00   27
  4  ω    -18.00  17.00   1.00    3.00    --  -11.59 -99.00-120.00   35
  5  ω    -20.00  53.00   1.00    3.00    --   11.74 -99.00-120.00   73
  6  ω    -82.00  15.00   1.00    3.00    --  -11.59 -57.00 -30.00   97
  7  ω    -68.00 -23.00   1.00    3.00    --  -11.59 125.00 -26.43   45
  8  ω    -85.00  11.00   1.00    3.00    --  -11.59 -37.00  90.00   96
  9  ω     15.00  52.00   1.00    3.00    --  -11.59  37.00 -90.00   37
 10  ω    -92.00  -7.00   1.00    3.00    --  -11.59 -19.00-180.00   85
 11  ω     -3.00  53.00   1.00    3.00    --   11.74 -99.00   0.00   56
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0583609000
_diffrn_orient_matrix_UB_12      -0.0327273000
_diffrn_orient_matrix_UB_13      0.0050630000
_diffrn_orient_matrix_UB_21      -0.0051294000
_diffrn_orient_matrix_UB_22      -0.0525627000
_diffrn_orient_matrix_UB_23      -0.0323042000
_diffrn_orient_matrix_UB_31      0.0264718000
_diffrn_orient_matrix_UB_32      -0.0081680000
_diffrn_orient_matrix_UB_33      0.0410698000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8528
_reflns_number_total             10482
_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       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.834
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         10482
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0499
_refine_ls_restrained_S_all      1.057
_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)+(0.0499P)²+1.8852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
_refine_ls_wR_factor_ref         0.1199
_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. Others
 Fixed Sof: O5(0.5) H5A(0.5) C42(0.5) H42A(0.5) H42B(0.5) H42C(0.5) O7(0.25)
 H7(0.25) C40(0.25) H40A(0.25) H40B(0.25) H40C(0.25)
3.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C20(H20A,H20B), C39(H39A,H39B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
3.c Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C40(H40A,H40B,H40C)
3.d Idealised tetrahedral OH refined as rotating group:
 O4(H4A), O5(H5A), O7(H7)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.27520(2) 1.01275(2) 0.23123(2) 0.01490(8) Uani 1 1 d . . . . .
Cl1 Cl 0.39678(11) 1.19713(10) 0.40016(8) 0.0227(2) Uani 1 1 d . . . . .
Cl2 Cl 0.06812(10) 0.94856(11) 0.27061(9) 0.0260(3) Uani 1 1 d . . . . .
Cl3 Cl 0.18103(10) 0.83125(10) 0.05933(8) 0.0189(2) Uani 1 1 d . . . . .
P1 P 0.36023(10) 0.84985(10) 0.36931(8) 0.0136(2) Uani 1 1 d . . . . .
P2 P 0.15687(10) 1.16387(10) 0.10951(8) 0.0134(2) Uani 1 1 d . . . . .
P3 P 0.56254(10) 1.12282(10) 0.15326(8) 0.0151(2) Uani 1 1 d . . . . .
O1 O 0.3217(3) 0.9096(3) 0.3089(2) 0.0157(6) Uani 1 1 d . . . . .
O2 O 0.2308(3) 1.1210(3) 0.1597(2) 0.0168(7) Uani 1 1 d . . . . .
O3 O 0.4489(3) 1.0767(3) 0.1852(2) 0.0162(6) Uani 1 1 d . . . . .
C1 C 0.1458(4) 1.2784(4) 0.1970(3) 0.0143(9) Uani 1 1 d . . . . .
C2 C 0.0857(4) 1.3331(4) 0.1654(3) 0.0203(10) Uani 1 1 d . . . . .
H2 H 0.049656 1.309343 0.098250 0.024 Uiso 1 1 calc R U . . .
C3 C 0.0791(5) 1.4229(4) 0.2333(4) 0.0265(11) Uani 1 1 d . . . . .
H3 H 0.040379 1.460479 0.211887 0.032 Uiso 1 1 calc R U . . .
C4 C 0.1312(5) 1.4561(4) 0.3340(4) 0.0260(11) Uani 1 1 d . . . . .
H4 H 0.125287 1.514851 0.379968 0.031 Uiso 1 1 calc R U . . .
C5 C 0.1914(5) 1.4025(5) 0.3658(4) 0.0295(12) Uani 1 1 d . . . . .
H5 H 0.226655 1.426010 0.433040 0.035 Uiso 1 1 calc R U . . .
C6 C 0.1999(4) 1.3133(4) 0.2980(3) 0.0222(10) Uani 1 1 d . . . . .
H6 H 0.240952 1.277583 0.319547 0.027 Uiso 1 1 calc R U . . .
C7 C 0.0036(4) 1.0493(4) 0.0447(3) 0.0158(9) Uani 1 1 d . . . . .
H7A H -0.033254 1.015003 0.090204 0.019 Uiso 1 1 calc R U . . .
H7B H -0.042343 1.083356 0.021115 0.019 Uiso 1 1 calc R U . . .
C8 C 0.2269(4) 1.2210(4) 0.0228(3) 0.0166(9) Uani 1 1 d . . . . .
C9 C 0.3486(4) 1.2523(4) 0.0339(3) 0.0219(10) Uani 1 1 d . . . . .
H9 H 0.390266 1.239474 0.082453 0.026 Uiso 1 1 calc R U . . .
C10 C 0.4063(5) 1.3024(5) -0.0282(4) 0.0296(12) Uani 1 1 d . . . . .
H10 H 0.487615 1.324141 -0.020886 0.036 Uiso 1 1 calc R U . . .
C11 C 0.3451(5) 1.3207(5) -0.1010(4) 0.0324(13) Uani 1 1 d . . . . .
H11 H 0.385029 1.354923 -0.142250 0.039 Uiso 1 1 calc R U . . .
C12 C 0.2242(5) 1.2881(5) -0.1124(4) 0.0294(12) Uani 1 1 d . . . . .
H12 H 0.182646 1.299805 -0.161816 0.035 Uiso 1 1 calc R U . . .
C13 C 0.1641(4) 1.2377(4) -0.0504(3) 0.0222(10) Uani 1 1 d . . . . .
H13 H 0.082648 1.215593 -0.058269 0.027 Uiso 1 1 calc R U . . .
C14 C 0.6624(4) 1.0763(4) 0.2021(3) 0.0162(9) Uani 1 1 d . . . . .
C15 C 0.6129(4) 0.9815(4) 0.2324(3) 0.0221(10) Uani 1 1 d . . . . .
H15 H 0.530735 0.945251 0.228160 0.026 Uiso 1 1 calc R U . . .
C16 C 0.6850(5) 0.9405(5) 0.2690(4) 0.0296(12) Uani 1 1 d . . . . .
H16 H 0.651798 0.877307 0.289799 0.036 Uiso 1 1 calc R U . . .
C17 C 0.8079(5) 0.9948(5) 0.2745(3) 0.0276(12) Uani 1 1 d . . . . .
H17 H 0.856750 0.967280 0.298599 0.033 Uiso 1 1 calc R U . . .
C18 C 0.8569(4) 1.0884(5) 0.2445(3) 0.0232(11) Uani 1 1 d . . . . .
H18 H 0.939132 1.124861 0.249254 0.028 Uiso 1 1 calc R U . . .
C19 C 0.7844(4) 1.1294(4) 0.2068(3) 0.0213(10) Uani 1 1 d . . . . .
H19 H 0.817519 1.191804 0.185094 0.026 Uiso 1 1 calc R U . . .
C20 C 0.5317(4) 1.0679(4) 0.0210(3) 0.0176(9) Uani 1 1 d . . . . .
H20A H 0.480278 1.093806 -0.008069 0.021 Uiso 1 1 calc R U . . .
H20B H 0.607063 1.099449 0.003467 0.021 Uiso 1 1 calc R U . . .
C21 C 0.6383(4) 1.2809(4) 0.1928(3) 0.0189(10) Uani 1 1 d . . . . .
C22 C 0.6102(5) 1.3421(4) 0.2693(3) 0.0242(11) Uani 1 1 d . . . . .
H22 H 0.553032 1.301269 0.297766 0.029 Uiso 1 1 calc R U . . .
C23 C 0.6668(5) 1.4637(5) 0.3034(4) 0.0311(13) Uani 1 1 d . . . . .
H23 H 0.648422 1.504675 0.354990 0.037 Uiso 1 1 calc R U . . .
C24 C 0.7509(6) 1.5240(5) 0.2603(4) 0.0394(15) Uani 1 1 d . . . . .
H24 H 0.789386 1.605838 0.283396 0.047 Uiso 1 1 calc R U . . .
C25 C 0.7780(5) 1.4635(5) 0.1831(4) 0.0354(13) Uani 1 1 d . . . . .
H25 H 0.833598 1.504879 0.153807 0.043 Uiso 1 1 calc R U . . .
C26 C 0.7232(5) 1.3418(4) 0.1489(4) 0.0278(11) Uani 1 1 d . . . . .
H26 H 0.742519 1.301223 0.097697 0.033 Uiso 1 1 calc R U . . .
C27 C 0.3736(4) 0.7312(4) 0.2893(3) 0.0158(9) Uani 1 1 d . . . . .
C28 C 0.3199(4) 0.6911(4) 0.1879(3) 0.0216(10) Uani 1 1 d . . . . .
H28 H 0.282272 0.727486 0.162757 0.026 Uiso 1 1 calc R U . . .
C29 C 0.3237(5) 0.5965(4) 0.1255(3) 0.0260(11) Uani 1 1 d . . . . .
H29 H 0.288779 0.569712 0.057758 0.031 Uiso 1 1 calc R U . . .
C30 C 0.3777(5) 0.5418(4) 0.1615(4) 0.0257(11) Uani 1 1 d . . . . .
H30 H 0.378319 0.477458 0.118301 0.031 Uiso 1 1 calc R U . . .
C31 C 0.4323(5) 0.5819(4) 0.2631(4) 0.0265(11) Uani 1 1 d . . . . .
H31 H 0.470405 0.545497 0.287576 0.032 Uiso 1 1 calc R U . . .
C32 C 0.4290(4) 0.6763(4) 0.3265(3) 0.0214(10) Uani 1 1 d . . . . .
H32 H 0.463955 0.703033 0.394262 0.026 Uiso 1 1 calc R U . . .
C33 C 0.2521(4) 0.7897(4) 0.4331(3) 0.0196(10) Uani 1 1 d . . . . .
C34 C 0.1363(5) 0.7757(5) 0.4054(4) 0.0289(12) Uani 1 1 d . . . . .
H34 H 0.115833 0.799614 0.355110 0.035 Uiso 1 1 calc R U . . .
C35 C 0.0519(5) 0.7261(6) 0.4528(4) 0.0419(15) Uani 1 1 d . . . . .
H35 H -0.025364 0.716740 0.434431 0.050 Uiso 1 1 calc R U . . .
C36 C 0.0818(5) 0.6905(5) 0.5272(4) 0.0309(12) Uani 1 1 d . . . . .
H36 H 0.024349 0.657093 0.558532 0.037 Uiso 1 1 calc R U . . .
C37 C 0.1946(5) 0.7037(4) 0.5554(3) 0.0232(11) Uani 1 1 d . . . . .
H37 H 0.213602 0.678920 0.605537 0.028 Uiso 1 1 calc R U . . .
C38 C 0.2818(4) 0.7542(4) 0.5092(3) 0.0204(10) Uani 1 1 d . . . . .
H38 H 0.359091 0.764222 0.528954 0.025 Uiso 1 1 calc R U . . .
C39 C 0.5035(4) 0.9510(4) 0.4611(3) 0.0157(9) Uani 1 1 d . . . . .
H39A H 0.528976 0.908344 0.493927 0.019 Uiso 1 1 calc R U . . .
H39B H 0.563895 0.986300 0.428955 0.019 Uiso 1 1 calc R U . . .
O4 O 0.2426(7) 1.2508(7) 0.5553(7) 0.143(3) Uani 1 1 d . . . . .
H4A H 0.306101 1.249793 0.553239 0.214 Uiso 1 1 calc R U . . .
C41 C 0.1526(9) 1.1395(7) 0.5388(6) 0.071(2) Uani 1 1 d . . . . .
H41A H 0.091422 1.111888 0.478368 0.106 Uiso 1 1 calc R U . . .
H41B H 0.117110 1.141137 0.592828 0.106 Uiso 1 1 calc R U . . .
H41C H 0.186142 1.087582 0.533712 0.106 Uiso 1 1 calc R U . . .
O5 O -0.0044(9) 0.5965(7) 0.0931(8) 0.055(3) Uani 0.5 1 d . . P A -1
H5A H 0.052410 0.661454 0.102900 0.083 Uiso 0.5 1 calc R U P A -1
C42 C -0.0001(16) 0.5112(14) 0.0175(9) 0.038(3) Uiso 0.5 1 d . . P A -1
H42A H 0.034358 0.544866 -0.028458 0.057 Uiso 0.5 1 calc R U P A -1
H42B H -0.080637 0.446795 -0.016312 0.057 Uiso 0.5 1 calc R U P A -1
H42C H 0.049013 0.483196 0.045090 0.057 Uiso 0.5 1 calc R U P A -1
O7 O 0.3992(16) 1.4119(15) 0.5324(12) 0.045(4) Uiso 0.25 1 d . . P B -1
H7 H 0.388219 1.344688 0.509247 0.068 Uiso 0.25 1 calc R U P B -1
C40 C 0.495(4) 1.486(3) 0.510(3) 0.053(8) Uiso 0.25 1 d . . P B -1
H40A H 0.466852 1.493754 0.449709 0.079 Uiso 0.25 1 calc R U P B -1
H40B H 0.549016 1.454154 0.501462 0.079 Uiso 0.25 1 calc R U P B -1
H40C H 0.536586 1.561243 0.562630 0.079 Uiso 0.25 1 calc R U P B -1


_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 Cl1 2.6584(11) . ?
Dy1 Cl2 2.5978(12) . ?
Dy1 Cl3 2.6698(11) . ?
Dy1 O1 2.234(3) . ?
Dy1 O2 2.226(3) . ?
Dy1 O3 2.271(3) . ?
P1 O1 1.513(3) . ?
P1 C27 1.802(4) . ?
P1 C33 1.792(5) . ?
P1 C39 1.797(4) . ?
P2 O2 1.513(3) . ?
P2 C1 1.794(4) . ?
P2 C7 1.797(4) . ?
P2 C8 1.799(5) . ?
P3 O3 1.504(3) . ?
P3 C14 1.797(4) . ?
P3 C20 1.797(4) . ?
P3 C21 1.800(5) . ?
C1 C2 1.390(6) . ?
C1 C6 1.400(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.388(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.394(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.381(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.394(7) . ?
C6 H6 0.9300 . ?
C7 C7 1.554(8) 2_575 ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.395(7) . ?
C8 C13 1.380(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.380(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.379(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.392(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.386(6) . ?
C14 C19 1.386(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.395(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.369(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.394(6) . ?
C19 H19 0.9300 . ?
C20 C20 1.543(9) 2_675 ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.388(7) . ?
C21 C26 1.401(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.382(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.382(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.384(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.385(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.395(6) . ?
C27 C32 1.386(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.380(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.363(7) . ?
C30 H30 0.9300 . ?
C30 C31 1.400(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.382(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.394(7) . ?
C33 C38 1.397(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.383(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.377(8) . ?
C36 H36 0.9300 . ?
C36 C37 1.364(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.396(7) . ?
C38 H38 0.9300 . ?
C39 C39 1.539(8) 2_676 ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
O4 H4A 0.8200 . ?
O4 C41 1.372(10) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
O5 H5A 0.8200 . ?
O5 C42 1.393(16) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
O7 H7 0.8200 . ?
O7 C40 1.35(4) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Dy1 Cl3 172.59(4) . . ?
Cl2 Dy1 Cl1 94.06(4) . . ?
Cl2 Dy1 Cl3 93.10(4) . . ?
O1 Dy1 Cl1 87.14(8) . . ?
O1 Dy1 Cl2 92.36(8) . . ?
O1 Dy1 Cl3 90.65(8) . . ?
O1 Dy1 O3 93.84(11) . . ?
O2 Dy1 Cl1 90.66(8) . . ?
O2 Dy1 Cl2 87.14(9) . . ?
O2 Dy1 Cl3 91.61(8) . . ?
O2 Dy1 O1 177.71(10) . . ?
O2 Dy1 O3 86.71(11) . . ?
O3 Dy1 Cl1 87.49(8) . . ?
O3 Dy1 Cl2 173.67(7) . . ?
O3 Dy1 Cl3 85.60(8) . . ?
O1 P1 C27 109.88(19) . . ?
O1 P1 C33 111.4(2) . . ?
O1 P1 C39 111.56(19) . . ?
C33 P1 C27 108.1(2) . . ?
C33 P1 C39 107.2(2) . . ?
C39 P1 C27 108.5(2) . . ?
O2 P2 C1 111.74(18) . . ?
O2 P2 C7 112.50(19) . . ?
O2 P2 C8 109.6(2) . . ?
C1 P2 C7 105.9(2) . . ?
C1 P2 C8 108.3(2) . . ?
C7 P2 C8 108.7(2) . . ?
O3 P3 C14 109.75(19) . . ?
O3 P3 C20 112.1(2) . . ?
O3 P3 C21 111.4(2) . . ?
C14 P3 C21 110.1(2) . . ?
C20 P3 C14 107.0(2) . . ?
C20 P3 C21 106.3(2) . . ?
P1 O1 Dy1 174.91(19) . . ?
P2 O2 Dy1 160.0(2) . . ?
P3 O3 Dy1 177.39(19) . . ?
C2 C1 P2 120.7(3) . . ?
C2 C1 C6 120.1(4) . . ?
C6 C1 P2 119.2(3) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.4(5) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(4) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(4) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.5 . . ?
C5 C6 C1 119.0(4) . . ?
C5 C6 H6 120.5 . . ?
P2 C7 H7A 109.1 . . ?
P2 C7 H7B 109.1 . . ?
C7 C7 P2 112.5(4) 2_575 . ?
C7 C7 H7A 109.1 2_575 . ?
C7 C7 H7B 109.1 2_575 . ?
H7A C7 H7B 107.8 . . ?
C9 C8 P2 117.9(3) . . ?
C13 C8 P2 121.4(4) . . ?
C13 C8 C9 120.7(4) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 C8 119.0(5) . . ?
C10 C9 H9 120.5 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.7(5) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.5(5) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 C12 119.2(5) . . ?
C8 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C15 C14 P3 117.8(3) . . ?
C19 C14 P3 122.2(4) . . ?
C19 C14 C15 120.0(4) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.3(5) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.2 . . ?
C15 C16 C17 119.5(5) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.2(4) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.5(5) . . ?
C19 C18 H18 119.7 . . ?
C14 C19 C18 119.4(4) . . ?
C14 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
P3 C20 H20A 109.5 . . ?
P3 C20 H20B 109.5 . . ?
C20 C20 P3 110.7(4) 2_675 . ?
C20 C20 H20A 109.5 2_675 . ?
C20 C20 H20B 109.5 2_675 . ?
H20A C20 H20B 108.1 . . ?
C22 C21 P3 117.9(4) . . ?
C22 C21 C26 120.2(4) . . ?
C26 C21 P3 121.9(4) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.2(5) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.7(5) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(5) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.6(6) . . ?
C26 C25 H25 119.7 . . ?
C21 C26 H26 120.6 . . ?
C25 C26 C21 118.8(5) . . ?
C25 C26 H26 120.6 . . ?
C28 C27 P1 117.8(3) . . ?
C32 C27 P1 121.8(3) . . ?
C32 C27 C28 120.4(4) . . ?
C27 C28 H28 120.5 . . ?
C29 C28 C27 118.9(4) . . ?
C29 C28 H28 120.5 . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121.2(4) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.2(5) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.4 . . ?
C32 C31 C30 119.3(5) . . ?
C32 C31 H31 120.4 . . ?
C27 C32 H32 120.0 . . ?
C31 C32 C27 120.0(4) . . ?
C31 C32 H32 120.0 . . ?
C34 C33 P1 119.9(4) . . ?
C34 C33 C38 119.5(5) . . ?
C38 C33 P1 120.6(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.7(5) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.3(5) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.8(5) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.1(4) . . ?
C38 C37 H37 120.0 . . ?
C33 C38 H38 120.2 . . ?
C37 C38 C33 119.6(4) . . ?
C37 C38 H38 120.2 . . ?
P1 C39 H39A 109.2 . . ?
P1 C39 H39B 109.2 . . ?
C39 C39 P1 111.8(4) 2_676 . ?
C39 C39 H39A 109.2 2_676 . ?
C39 C39 H39B 109.2 2_676 . ?
H39A C39 H39B 107.9 . . ?
C41 O4 H4A 109.5 . . ?
O4 C41 H41A 109.5 . . ?
O4 C41 H41B 109.5 . . ?
O4 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C42 O5 H5A 109.5 . . ?
O5 C42 H42A 109.5 . . ?
O5 C42 H42B 109.5 . . ?
O5 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 O7 H7 109.5 . . ?
O7 C40 H40A 109.5 . . ?
O7 C40 H40B 109.5 . . ?
O7 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?

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 C27 C28 C29 -176.8(4) . . . . ?
P1 C27 C32 C31 176.9(4) . . . . ?
P1 C33 C34 C35 178.1(4) . . . . ?
P1 C33 C38 C37 -177.7(4) . . . . ?
P2 C1 C2 C3 -179.0(4) . . . . ?
P2 C1 C6 C5 179.9(4) . . . . ?
P2 C8 C9 C10 -176.4(4) . . . . ?
P2 C8 C13 C12 176.6(4) . . . . ?
P3 C14 C15 C16 178.9(4) . . . . ?
P3 C14 C19 C18 -179.3(3) . . . . ?
P3 C21 C22 C23 179.2(4) . . . . ?
P3 C21 C26 C25 180.0(4) . . . . ?
O1 P1 C27 C28 -16.0(4) . . . . ?
O1 P1 C27 C32 167.6(4) . . . . ?
O1 P1 C33 C34 15.6(5) . . . . ?
O1 P1 C33 C38 -165.8(4) . . . . ?
O1 P1 C39 C39 64.4(5) . . . 2_676 ?
O2 P2 C1 C2 177.3(4) . . . . ?
O2 P2 C1 C6 -1.9(4) . . . . ?
O2 P2 C7 C7 -66.0(4) . . . 2_575 ?
O2 P2 C8 C9 -19.2(4) . . . . ?
O2 P2 C8 C13 163.2(4) . . . . ?
O3 P3 C14 C15 19.3(4) . . . . ?
O3 P3 C14 C19 -162.9(4) . . . . ?
O3 P3 C20 C20 -59.1(5) . . . 2_675 ?
O3 P3 C21 C22 19.4(4) . . . . ?
O3 P3 C21 C26 -160.6(4) . . . . ?
C1 P2 O2 Dy1 94.1(5) . . . . ?
C1 P2 C7 C7 171.7(4) . . . 2_575 ?
C1 P2 C8 C9 102.9(4) . . . . ?
C1 P2 C8 C13 -74.7(4) . . . . ?
C1 C2 C3 C4 -1.4(7) . . . . ?
C2 C1 C6 C5 0.6(7) . . . . ?
C2 C3 C4 C5 1.6(8) . . . . ?
C3 C4 C5 C6 -0.8(8) . . . . ?
C4 C5 C6 C1 -0.4(8) . . . . ?
C6 C1 C2 C3 0.2(7) . . . . ?
C7 P2 O2 Dy1 -24.9(6) . . . . ?
C7 P2 C1 C2 -59.8(4) . . . . ?
C7 P2 C1 C6 121.0(4) . . . . ?
C7 P2 C8 C9 -142.4(4) . . . . ?
C7 P2 C8 C13 39.9(4) . . . . ?
C8 P2 O2 Dy1 -145.9(5) . . . . ?
C8 P2 C1 C2 56.6(4) . . . . ?
C8 P2 C1 C6 -122.6(4) . . . . ?
C8 P2 C7 C7 55.6(5) . . . 2_575 ?
C8 C9 C10 C11 -0.6(8) . . . . ?
C9 C8 C13 C12 -1.0(7) . . . . ?
C9 C10 C11 C12 -0.3(8) . . . . ?
C10 C11 C12 C13 0.5(8) . . . . ?
C11 C12 C13 C8 0.1(8) . . . . ?
C13 C8 C9 C10 1.3(7) . . . . ?
C14 P3 C20 C20 61.3(5) . . . 2_675 ?
C14 P3 C21 C22 -102.6(4) . . . . ?
C14 P3 C21 C26 77.3(4) . . . . ?
C14 C15 C16 C17 -0.5(7) . . . . ?
C15 C14 C19 C18 -1.5(7) . . . . ?
C15 C16 C17 C18 0.4(8) . . . . ?
C16 C17 C18 C19 -1.0(7) . . . . ?
C17 C18 C19 C14 1.5(7) . . . . ?
C19 C14 C15 C16 1.0(7) . . . . ?
C20 P3 C14 C15 -102.5(4) . . . . ?
C20 P3 C14 C19 75.3(4) . . . . ?
C20 P3 C21 C22 141.8(4) . . . . ?
C20 P3 C21 C26 -38.3(4) . . . . ?
C21 P3 C14 C15 142.3(4) . . . . ?
C21 P3 C14 C19 -39.9(4) . . . . ?
C21 P3 C20 C20 179.0(4) . . . 2_675 ?
C21 C22 C23 C24 0.6(7) . . . . ?
C22 C21 C26 C25 -0.1(7) . . . . ?
C22 C23 C24 C25 0.4(8) . . . . ?
C23 C24 C25 C26 -1.2(9) . . . . ?
C24 C25 C26 C21 1.0(8) . . . . ?
C26 C21 C22 C23 -0.7(7) . . . . ?
C27 P1 C33 C34 -105.2(4) . . . . ?
C27 P1 C33 C38 73.3(4) . . . . ?
C27 P1 C39 C39 -174.4(4) . . . 2_676 ?
C27 C28 C29 C30 0.6(8) . . . . ?
C28 C27 C32 C31 0.6(7) . . . . ?
C28 C29 C30 C31 -0.9(8) . . . . ?
C29 C30 C31 C32 1.1(8) . . . . ?
C30 C31 C32 C27 -0.9(7) . . . . ?
C32 C27 C28 C29 -0.4(7) . . . . ?
C33 P1 C27 C28 105.9(4) . . . . ?
C33 P1 C27 C32 -70.6(4) . . . . ?
C33 P1 C39 C39 -57.9(5) . . . 2_676 ?
C33 C34 C35 C36 -0.1(9) . . . . ?
C34 C33 C38 C37 0.9(7) . . . . ?
C34 C35 C36 C37 0.1(9) . . . . ?
C35 C36 C37 C38 0.3(8) . . . . ?
C36 C37 C38 C33 -0.8(7) . . . . ?
C38 C33 C34 C35 -0.5(8) . . . . ?
C39 P1 C27 C28 -138.2(4) . . . . ?
C39 P1 C27 C32 45.4(4) . . . . ?
C39 P1 C33 C34 138.0(4) . . . . ?
C39 P1 C33 C38 -43.5(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.517
_oxdiff_exptl_absorpt_empirical_full_min 0.728
####################################################################### 
# 
# 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_181214d3_dycl3_rf
_database_code_depnum_ccdc_archive 'CCDC 2131714'
loop_
_audit_author_name
_audit_author_address
'Ji-Dong Leng'
;Guangzhou University
China
;
_audit_update_record             
;
2021-12-30 deposited with the CCDC.	2022-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-12-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C156 H144 Cl12 Dy4 O12 P12'
_chemical_formula_sum            'C156 H144 Cl12 Dy4 O12 P12'
_chemical_formula_weight         3657.74
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy P O C H Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   35.6799(2)
_cell_length_b                   35.6799(2)
_cell_length_c                   21.42150(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     23617.2(3)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    21587
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.6870
_cell_measurement_theta_min      2.4580
_shelx_estimated_absorpt_T_max   0.552
_shelx_estimated_absorpt_T_min   0.346
_exptl_absorpt_coefficient_mu    13.465
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             10944
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28652
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.900
_diffrn_reflns_theta_min         2.477
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -48.00  20.00   0.50    0.80    --  -46.37  45.00  11.00  136
  2  ω    -72.00 -46.00   0.50    3.20    -- -102.00  45.00  11.00   52
  3  ω    -73.00 -42.00   0.50    3.20    -- -102.00  45.00  60.00   62
  4  ω   -112.00 -59.00   0.50    3.20    -- -102.00  61.00  30.00  106
  5  ω   -171.00-127.00   0.50    3.20    -- -102.00 -61.00-108.00   88
  6  ω   -118.00 -93.00   0.50    0.80    --  -46.37-125.00-180.00   50
  7  ω   -113.00 -83.00   0.50    0.80    --  -46.37-125.00  30.00   60
  8  ω   -116.00 -79.00   0.50    0.80    --  -46.37-125.00  90.00   74
  9  ω     33.00  65.00   0.50    3.20    --  107.00 -30.00 150.00   64
 10  ω     33.00  58.00   0.50    3.20    --  107.00 -30.00  90.00   50
 11  ω     37.00 100.00   0.50    3.20    --  107.00 -94.00 120.00  126
 12  ω     43.00  69.00   0.50    3.20    --  107.00 -30.00 -60.00   52
 13  ω     46.00  71.00   0.50    3.20    --  107.00 -30.00 -90.00   50
 14  ω     33.00  59.00   0.50    3.20    --  107.00 -30.00-150.00   52
 15  ω     34.00  71.00   0.50    3.20    --  107.00 -30.00-180.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0353988000
_diffrn_orient_matrix_UB_12      -0.0479011000
_diffrn_orient_matrix_UB_13      0.0061632000
_diffrn_orient_matrix_UB_21      -0.0147672000
_diffrn_orient_matrix_UB_22      0.0102219000
_diffrn_orient_matrix_UB_23      0.0621611000
_diffrn_orient_matrix_UB_31      -0.0318509000
_diffrn_orient_matrix_UB_32      0.0094158000
_diffrn_orient_matrix_UB_33      -0.0356380000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10056
_reflns_number_total             10478
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.668
_refine_diff_density_min         -2.256
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         10478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0465P)²+332.3649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1200
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C39(H39A,H39B), C40(H40A,H40B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C42(H42), C43(H43),
  C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50), C51(H51), C52(H52)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.32604(2) 0.41875(2) 0.41635(2) 0.02459(8) Uani 1 1 d . . . . .
Dy2 Dy 0.333333 0.666667 0.43699(3) 0.03088(12) Uani 1 3 d S T P . .
Cl1 Cl 0.38842(4) 0.40674(4) 0.45906(7) 0.0466(3) Uani 1 1 d . . . . .
Cl2 Cl 0.37660(4) 0.47763(4) 0.33620(6) 0.0391(3) Uani 1 1 d . . . . .
Cl3 Cl 0.25538(4) 0.42003(3) 0.38162(5) 0.0311(2) Uani 1 1 d . . . . .
Cl4 Cl 0.27046(3) 0.60499(3) 0.50190(6) 0.0360(3) Uani 1 1 d . . . . .
P1 P 0.33489(4) 0.31083(4) 0.63996(7) 0.0378(3) Uani 1 1 d . . . . .
P2 P 0.24924(4) 0.34218(5) 0.53486(7) 0.0462(4) Uani 1 1 d . . . . .
P3 P 0.36559(3) 0.52347(3) 0.49160(5) 0.0223(2) Uani 1 1 d . . . . .
P4 P 0.29565(3) 0.56282(3) 0.35997(6) 0.0248(2) Uani 1 1 d . . . . .
O1 O 0.30582(12) 0.36174(10) 0.35236(17) 0.0372(8) Uani 1 1 d . . . . .
O2 O 0.28267(11) 0.37344(11) 0.48984(17) 0.0375(8) Uani 1 1 d . . . . .
O3 O 0.34522(10) 0.47551(9) 0.47893(14) 0.0254(6) Uani 1 1 d . . . . .
O4 O 0.31872(10) 0.61111(9) 0.37100(17) 0.0314(7) Uani 1 1 d . . . . .
C1 C 0.35308(15) 0.28649(15) 0.5829(2) 0.0350(11) Uani 1 1 d . . . . .
C2 C 0.37505(17) 0.30931(17) 0.5290(3) 0.0432(12) Uani 1 1 d . . . . .
H2 H 0.378406 0.336985 0.520673 0.052 Uiso 1 1 calc R U . . .
C3 C 0.3915(2) 0.2918(2) 0.4886(3) 0.0557(16) Uani 1 1 d . . . . .
H3 H 0.406032 0.307179 0.451929 0.067 Uiso 1 1 calc R U . . .
C4 C 0.3874(2) 0.2523(2) 0.5002(3) 0.0637(18) Uani 1 1 d . . . . .
H4 H 0.399778 0.240799 0.472114 0.076 Uiso 1 1 calc R U . . .
C5 C 0.3655(2) 0.2288(2) 0.5524(3) 0.0609(17) Uani 1 1 d . . . . .
H5 H 0.362503 0.201205 0.560085 0.073 Uiso 1 1 calc R U . . .
C6 C 0.34788(19) 0.24568(17) 0.5934(3) 0.0459(13) Uani 1 1 d . . . . .
H6 H 0.332167 0.229396 0.628800 0.055 Uiso 1 1 calc R U . . .
C7 C 0.38271(18) 0.35357(16) 0.6813(4) 0.0531(18) Uani 1 1 d . . . . .
C8 C 0.39314(19) 0.3448(2) 0.7386(3) 0.0572(16) Uani 1 1 d . . . . .
H8 H 0.375677 0.317004 0.756605 0.069 Uiso 1 1 calc R U . . .
C9 C 0.4293(2) 0.3762(3) 0.7711(4) 0.073(2) Uani 1 1 d . . . . .
H9 H 0.435619 0.369833 0.811468 0.087 Uiso 1 1 calc R U . . .
C10 C 0.4550(2) 0.4151(2) 0.7460(4) 0.068(2) Uani 1 1 d . . . . .
H10 H 0.480524 0.435533 0.767189 0.082 Uiso 1 1 calc R U . . .
C11 C 0.4446(2) 0.4254(2) 0.6903(4) 0.0628(18) Uani 1 1 d . . . . .
H11 H 0.461270 0.454114 0.674733 0.075 Uiso 1 1 calc R U . . .
C12 C 0.4089(2) 0.3937(2) 0.6545(4) 0.0652(19) Uani 1 1 d . . . . .
H12 H 0.403277 0.400011 0.613598 0.078 Uiso 1 1 calc R U . . .
C13 C 0.31187(18) 0.3406(2) 0.6054(3) 0.0487(14) Uani 1 1 d . . . . .
H13A H 0.305960 0.356458 0.638330 0.058 Uiso 1 1 calc R U . . .
H13B H 0.332689 0.362058 0.575494 0.058 Uiso 1 1 calc R U . . .
C14 C 0.27086(19) 0.31053(18) 0.5724(3) 0.0463(13) Uani 1 1 d . . . . .
H14A H 0.249499 0.289855 0.602561 0.056 Uiso 1 1 calc R U . . .
H14B H 0.276459 0.293850 0.540513 0.056 Uiso 1 1 calc R U . . .
C15 C 0.20081(17) 0.30341(18) 0.4965(3) 0.0448(14) Uani 1 1 d . . . . .
C16 C 0.16667(19) 0.2696(2) 0.5288(3) 0.0605(19) Uani 1 1 d . . . . .
H16 H 0.168708 0.266395 0.572476 0.073 Uiso 1 1 calc R U . . .
C17 C 0.12966(19) 0.2408(2) 0.4963(4) 0.0603(18) Uani 1 1 d . . . . .
H17 H 0.106726 0.217468 0.518150 0.072 Uiso 1 1 calc R U . . .
C18 C 0.1252(2) 0.2451(2) 0.4338(3) 0.0581(16) Uani 1 1 d . . . . .
H18 H 0.099236 0.225770 0.412603 0.070 Uiso 1 1 calc R U . . .
C19 C 0.1595(2) 0.27805(19) 0.4025(3) 0.0573(16) Uani 1 1 d . . . . .
H19 H 0.157276 0.281190 0.358833 0.069 Uiso 1 1 calc R U . . .
C20 C 0.19723(19) 0.30680(18) 0.4334(3) 0.0459(13) Uani 1 1 d . . . . .
H20 H 0.220723 0.328975 0.410679 0.055 Uiso 1 1 calc R U . . .
C21 C 0.23672(18) 0.3698(2) 0.5906(3) 0.0483(14) Uani 1 1 d . . . . .
C22 C 0.2423(2) 0.4091(3) 0.5758(4) 0.071(2) Uani 1 1 d . . . . .
H22 H 0.252239 0.420419 0.535176 0.085 Uiso 1 1 calc R U . . .
C23 C 0.2338(3) 0.4338(3) 0.6185(4) 0.087(3) Uani 1 1 d . . . . .
H23 H 0.237351 0.461178 0.607449 0.104 Uiso 1 1 calc R U . . .
C24 C 0.2196(2) 0.4159(2) 0.6789(3) 0.0536(15) Uani 1 1 d . . . . .
H24 H 0.213895 0.431621 0.709656 0.064 Uiso 1 1 calc R U . . .
C25 C 0.2140(2) 0.3757(3) 0.6929(4) 0.071(2) Uani 1 1 d . . . . .
H25 H 0.204151 0.364057 0.733422 0.085 Uiso 1 1 calc R U . . .
C26 C 0.2222(2) 0.3522(2) 0.6505(3) 0.0558(15) Uani 1 1 d . . . . .
H26 H 0.218093 0.324601 0.661016 0.067 Uiso 1 1 calc R U . . .
C27 C 0.42361(14) 0.55064(14) 0.4891(2) 0.0252(8) Uani 1 1 d . . . . .
C28 C 0.44492(15) 0.52750(16) 0.4773(2) 0.0317(10) Uani 1 1 d . . . . .
H28 H 0.428863 0.497029 0.471558 0.038 Uiso 1 1 calc R U . . .
C29 C 0.48970(16) 0.54940(18) 0.4741(3) 0.0400(12) Uani 1 1 d . . . . .
H29 H 0.504379 0.533838 0.466141 0.048 Uiso 1 1 calc R U . . .
C30 C 0.51317(16) 0.59376(18) 0.4824(3) 0.0410(12) Uani 1 1 d . . . . .
H30 H 0.543876 0.608483 0.480337 0.049 Uiso 1 1 calc R U . . .
C31 C 0.49229(16) 0.61665(16) 0.4936(2) 0.0358(11) Uani 1 1 d . . . . .
H31 H 0.508565 0.647144 0.499027 0.043 Uiso 1 1 calc R U . . .
C32 C 0.44753(15) 0.59530(15) 0.4971(2) 0.0305(9) Uani 1 1 d . . . . .
H32 H 0.433145 0.611159 0.505037 0.037 Uiso 1 1 calc R U . . .
C33 C 0.34948(15) 0.53042(15) 0.5680(2) 0.0324(10) Uani 1 1 d . . . . .
C34 C 0.3471(2) 0.5022(2) 0.6138(3) 0.0605(18) Uani 1 1 d . . . . .
H34 H 0.352314 0.479211 0.603813 0.073 Uiso 1 1 calc R U . . .
C35 C 0.3370(3) 0.5075(3) 0.6748(3) 0.084(3) Uani 1 1 d . . . . .
H35 H 0.336032 0.488507 0.706772 0.101 Uiso 1 1 calc R U . . .
C36 C 0.3286(3) 0.5400(3) 0.6888(3) 0.084(3) Uani 1 1 d . . . . .
H36 H 0.320921 0.542967 0.730243 0.101 Uiso 1 1 calc R U . . .
C37 C 0.3311(3) 0.5678(2) 0.6444(4) 0.082(3) Uani 1 1 d . . . . .
H37 H 0.325449 0.590351 0.654784 0.098 Uiso 1 1 calc R U . . .
C38 C 0.3420(2) 0.56364(17) 0.5831(3) 0.0546(17) Uani 1 1 d . . . . .
H38 H 0.344256 0.583644 0.551983 0.065 Uiso 1 1 calc R U . . .
C39 C 0.35223(13) 0.55151(13) 0.4336(2) 0.0239(8) Uani 1 1 d . . . . .
H39A H 0.365752 0.582307 0.446011 0.029 Uiso 1 1 calc R U . . .
H39B H 0.365377 0.550401 0.393485 0.029 Uiso 1 1 calc R U . . .
C40 C 0.30372(13) 0.53409(13) 0.4229(2) 0.0241(8) Uani 1 1 d . . . . .
H40A H 0.290511 0.537494 0.461579 0.029 Uiso 1 1 calc R U . . .
H40B H 0.289308 0.502865 0.412756 0.029 Uiso 1 1 calc R U . . .
C41 C 0.31644(14) 0.55323(14) 0.2888(2) 0.0285(9) Uani 1 1 d . . . . .
C42 C 0.31123(19) 0.51324(18) 0.2743(3) 0.0426(12) Uani 1 1 d . . . . .
H42 H 0.297788 0.490200 0.303526 0.051 Uiso 1 1 calc R U . . .
C43 C 0.3254(2) 0.5064(2) 0.2176(3) 0.0515(14) Uani 1 1 d . . . . .
H43 H 0.321476 0.478627 0.208267 0.062 Uiso 1 1 calc R U . . .
C44 C 0.34490(18) 0.5387(2) 0.1752(3) 0.0523(16) Uani 1 1 d . . . . .
H44 H 0.353644 0.533402 0.135854 0.063 Uiso 1 1 calc R U . . .
C45 C 0.3519(2) 0.5793(2) 0.1896(3) 0.0594(18) Uani 1 1 d . . . . .
H45 H 0.366728 0.602421 0.160931 0.071 Uiso 1 1 calc R U . . .
C46 C 0.33732(17) 0.58668(18) 0.2460(3) 0.0452(13) Uani 1 1 d . . . . .
H46 H 0.341651 0.614611 0.255228 0.054 Uiso 1 1 calc R U . . .
C47 C 0.23801(14) 0.54018(14) 0.3510(2) 0.0284(9) Uani 1 1 d . . . . .
C48 C 0.20957(15) 0.49594(15) 0.3554(3) 0.0369(11) Uani 1 1 d . . . . .
H48 H 0.220211 0.476906 0.364593 0.044 Uiso 1 1 calc R U . . .
C49 C 0.16593(16) 0.47969(17) 0.3463(3) 0.0436(13) Uani 1 1 d . . . . .
H49 H 0.146516 0.449414 0.349363 0.052 Uiso 1 1 calc R U . . .
C50 C 0.15011(15) 0.50734(18) 0.3327(3) 0.0408(12) Uani 1 1 d . . . . .
H50 H 0.119955 0.496036 0.326821 0.049 Uiso 1 1 calc R U . . .
C51 C 0.17840(16) 0.55129(17) 0.3279(3) 0.0389(12) Uani 1 1 d . . . . .
H51 H 0.167786 0.570217 0.317741 0.047 Uiso 1 1 calc R U . . .
C52 C 0.22231(15) 0.56781(16) 0.3377(2) 0.0348(10) Uani 1 1 d . . . . .
H52 H 0.241654 0.598126 0.335392 0.042 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 Cl1 2.6320(12) . ?
Dy1 Cl2 2.6126(11) . ?
Dy1 Cl3 2.6506(11) . ?
Dy1 O1 2.251(3) . ?
Dy1 O2 2.233(3) . ?
Dy1 O3 2.232(3) . ?
Dy2 Cl4 2.6214(11) . ?
Dy2 Cl4 2.6215(11) 2_665 ?
Dy2 Cl4 2.6212(11) 3_565 ?
Dy2 O4 2.273(3) . ?
Dy2 O4 2.273(3) 2_665 ?
Dy2 O4 2.273(3) 3_565 ?
P1 O1 1.500(3) 5 ?
P1 C1 1.798(6) . ?
P1 C7 1.849(7) . ?
P1 C13 1.796(6) . ?
P2 O2 1.505(3) . ?
P2 C14 1.841(6) . ?
P2 C15 1.784(6) . ?
P2 C21 1.744(6) . ?
P3 O3 1.512(3) . ?
P3 C27 1.795(4) . ?
P3 C33 1.793(5) . ?
P3 C39 1.802(4) . ?
P4 O4 1.511(3) . ?
P4 C40 1.802(4) . ?
P4 C41 1.802(5) . ?
P4 C47 1.805(4) . ?
C1 C2 1.405(7) . ?
C1 C6 1.391(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.362(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.365(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.363(10) . ?
C7 C12 1.383(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.401(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.335(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.353(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.434(10) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.491(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.395(8) . ?
C15 C20 1.369(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.364(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.376(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.352(11) . ?
C21 C26 1.407(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.403(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.420(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.378(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.364(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.397(6) . ?
C27 C32 1.392(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.374(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.386(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.379(8) . ?
C33 C38 1.377(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.371(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.343(13) . ?
C37 H37 0.9500 . ?
C37 C38 1.399(9) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.536(6) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.379(7) . ?
C41 C46 1.390(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.355(9) . ?
C44 H44 0.9500 . ?
C44 C45 1.376(10) . ?
C45 H45 0.9500 . ?
C45 C46 1.390(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(6) . ?
C47 C52 1.385(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.377(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.391(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.380(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.387(7) . ?
C52 H52 0.9500 . ?

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
Cl1 Dy1 Cl3 171.61(4) . . ?
Cl2 Dy1 Cl1 93.39(4) . . ?
Cl2 Dy1 Cl3 94.71(4) . . ?
O1 Dy1 Cl1 88.83(10) . . ?
O1 Dy1 Cl2 96.14(9) . . ?
O1 Dy1 Cl3 88.11(10) . . ?
O2 Dy1 Cl1 88.47(9) . . ?
O2 Dy1 Cl2 174.59(10) . . ?
O2 Dy1 Cl3 83.66(9) . . ?
O2 Dy1 O1 88.98(13) . . ?
O3 Dy1 Cl1 92.19(8) . . ?
O3 Dy1 Cl2 83.67(8) . . ?
O3 Dy1 Cl3 90.90(8) . . ?
O3 Dy1 O1 178.97(13) . . ?
O3 Dy1 O2 91.18(12) . . ?
Cl4 Dy2 Cl4 94.47(4) 3_565 2_665 ?
Cl4 Dy2 Cl4 94.47(4) 3_565 . ?
Cl4 Dy2 Cl4 94.47(4) . 2_665 ?
O4 Dy2 Cl4 98.28(8) 3_565 . ?
O4 Dy2 Cl4 167.09(8) 3_565 2_665 ?
O4 Dy2 Cl4 98.28(8) 2_665 3_565 ?
O4 Dy2 Cl4 82.58(9) 2_665 2_665 ?
O4 Dy2 Cl4 167.09(8) . 3_565 ?
O4 Dy2 Cl4 82.59(9) . . ?
O4 Dy2 Cl4 167.09(8) 2_665 . ?
O4 Dy2 Cl4 82.58(9) 3_565 3_565 ?
O4 Dy2 Cl4 98.28(8) . 2_665 ?
O4 Dy2 O4 85.40(12) 3_565 2_665 ?
O4 Dy2 O4 85.40(12) 2_665 . ?
O4 Dy2 O4 85.40(12) 3_565 . ?
O1 P1 C1 110.3(2) 5 . ?
O1 P1 C7 109.9(3) 5 . ?
O1 P1 C13 112.6(2) 5 . ?
C1 P1 C7 108.5(2) . . ?
C13 P1 C1 112.8(3) . . ?
C13 P1 C7 102.4(3) . . ?
O2 P2 C14 108.3(2) . . ?
O2 P2 C15 112.4(2) . . ?
O2 P2 C21 110.6(3) . . ?
C15 P2 C14 105.4(3) . . ?
C21 P2 C14 110.6(3) . . ?
C21 P2 C15 109.3(3) . . ?
O3 P3 C27 112.18(19) . . ?
O3 P3 C33 108.3(2) . . ?
O3 P3 C39 113.20(19) . . ?
C27 P3 C39 103.5(2) . . ?
C33 P3 C27 108.4(2) . . ?
C33 P3 C39 111.1(2) . . ?
O4 P4 C40 112.4(2) . . ?
O4 P4 C41 107.9(2) . . ?
O4 P4 C47 112.11(19) . . ?
C40 P4 C47 107.2(2) . . ?
C41 P4 C40 109.1(2) . . ?
C41 P4 C47 108.0(2) . . ?
P1 O1 Dy1 159.8(2) 9_554 . ?
P2 O2 Dy1 173.6(2) . . ?
P3 O3 Dy1 152.94(19) . . ?
P4 O4 Dy2 148.0(2) . . ?
C2 C1 P1 120.7(4) . . ?
C6 C1 P1 120.3(4) . . ?
C6 C1 C2 118.9(5) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(5) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(6) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.5(7) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.6(6) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.2(5) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P1 119.1(4) . . ?
C8 C7 C12 119.4(7) . . ?
C12 C7 P1 121.4(6) . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.8(7) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(8) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 119.9(7) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.9(6) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 118.0(8) . . ?
C7 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
P1 C13 H13A 109.6 . . ?
P1 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 P1 110.1(4) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
P2 C14 H14A 109.9 . . ?
P2 C14 H14B 109.9 . . ?
C13 C14 P2 109.1(4) . . ?
C13 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C16 C15 P2 122.1(5) . . ?
C20 C15 P2 118.9(4) . . ?
C20 C15 C16 119.1(6) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 C15 119.2(6) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122.0(6) . . ?
C18 C17 H17 119.0 . . ?
C17 C18 H18 121.0 . . ?
C17 C18 C19 118.1(7) . . ?
C19 C18 H18 121.0 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.3(7) . . ?
C20 C19 H19 119.4 . . ?
C15 C20 C19 120.4(5) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 P2 118.7(5) . . ?
C22 C21 C26 120.4(6) . . ?
C26 C21 P2 120.9(5) . . ?
C21 C22 H22 118.9 . . ?
C21 C22 C23 122.1(8) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 H23 121.5 . . ?
C22 C23 C24 116.9(9) . . ?
C24 C23 H23 121.5 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(6) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 122.0(7) . . ?
C26 C25 H25 119.0 . . ?
C21 C26 H26 120.7 . . ?
C25 C26 C21 118.6(7) . . ?
C25 C26 H26 120.7 . . ?
C28 C27 P3 120.5(4) . . ?
C32 C27 P3 119.7(3) . . ?
C32 C27 C28 119.7(4) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.4(5) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(5) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.3(5) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.1(5) . . ?
C32 C31 H31 120.0 . . ?
C27 C32 H32 120.0 . . ?
C31 C32 C27 120.1(4) . . ?
C31 C32 H32 120.0 . . ?
C34 C33 P3 117.1(4) . . ?
C38 C33 P3 123.1(4) . . ?
C38 C33 C34 119.7(5) . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.6(7) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.1(8) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.5(6) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.5(7) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 C37 119.6(6) . . ?
C33 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
P3 C39 H39A 108.3 . . ?
P3 C39 H39B 108.3 . . ?
H39A C39 H39B 107.4 . . ?
C40 C39 P3 115.8(3) . . ?
C40 C39 H39A 108.3 . . ?
C40 C39 H39B 108.3 . . ?
P4 C40 H40A 109.6 . . ?
P4 C40 H40B 109.6 . . ?
C39 C40 P4 110.5(3) . . ?
C39 C40 H40A 109.6 . . ?
C39 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C42 C41 P4 122.1(4) . . ?
C42 C41 C46 118.5(5) . . ?
C46 C41 P4 119.3(4) . . ?
C41 C42 H42 119.8 . . ?
C41 C42 C43 120.5(5) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 119.5 . . ?
C44 C43 C42 121.1(6) . . ?
C44 C43 H43 119.5 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.4(6) . . ?
C45 C44 H44 120.3 . . ?
C44 C45 H45 119.8 . . ?
C44 C45 C46 120.4(5) . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 120.1(6) . . ?
C41 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C48 C47 P4 121.6(3) . . ?
C52 C47 P4 118.6(3) . . ?
C52 C47 C48 119.8(4) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 119.9(5) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C50 120.4(5) . . ?
C50 C49 H49 119.8 . . ?
C49 C50 H50 120.1 . . ?
C51 C50 C49 119.7(4) . . ?
C51 C50 H50 120.1 . . ?
C50 C51 H51 120.0 . . ?
C50 C51 C52 120.0(5) . . ?
C52 C51 H51 120.0 . . ?
C47 C52 C51 120.1(4) . . ?
C47 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?

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 175.0(4) . . . . ?
P1 C1 C6 C5 -173.9(5) . . . . ?
P1 C7 C8 C9 179.5(5) . . . . ?
P1 C7 C12 C11 178.3(5) . . . . ?
P1 C13 C14 P2 -177.7(3) . . . . ?
P2 C15 C16 C17 179.3(5) . . . . ?
P2 C15 C20 C19 -177.9(5) . . . . ?
P2 C21 C22 C23 -178.7(6) . . . . ?
P2 C21 C26 C25 178.2(5) . . . . ?
P3 C27 C28 C29 178.4(4) . . . . ?
P3 C27 C32 C31 -178.3(4) . . . . ?
P3 C33 C34 C35 176.6(6) . . . . ?
P3 C33 C38 C37 -177.6(5) . . . . ?
P3 C39 C40 P4 -175.8(2) . . . . ?
P4 C41 C42 C43 176.3(5) . . . . ?
P4 C41 C46 C45 -177.2(4) . . . . ?
P4 C47 C48 C49 -178.0(4) . . . . ?
P4 C47 C52 C51 177.2(4) . . . . ?
O1 P1 C1 C2 168.5(4) 5 . . . ?
O1 P1 C1 C6 -15.4(5) 5 . . . ?
O1 P1 C7 C8 20.8(5) 5 . . . ?
O1 P1 C7 C12 -161.3(5) 5 . . . ?
O1 P1 C13 C14 -58.9(5) 5 . . . ?
O2 P2 C14 C13 59.1(5) . . . . ?
O2 P2 C15 C16 175.7(5) . . . . ?
O2 P2 C15 C20 -3.9(5) . . . . ?
O2 P2 C21 C22 26.0(6) . . . . ?
O2 P2 C21 C26 -152.5(5) . . . . ?
O3 P3 C27 C28 -0.8(4) . . . . ?
O3 P3 C27 C32 177.3(3) . . . . ?
O3 P3 C33 C34 38.4(5) . . . . ?
O3 P3 C33 C38 -145.4(5) . . . . ?
O3 P3 C39 C40 56.0(4) . . . . ?
O4 P4 C40 C39 -56.4(3) . . . . ?
O4 P4 C41 C42 161.9(4) . . . . ?
O4 P4 C41 C46 -20.0(4) . . . . ?
O4 P4 C47 C48 -164.4(4) . . . . ?
O4 P4 C47 C52 17.4(5) . . . . ?
C1 P1 C7 C8 -99.8(5) . . . . ?
C1 P1 C7 C12 78.1(5) . . . . ?
C1 P1 C13 C14 66.7(5) . . . . ?
C1 C2 C3 C4 -0.8(9) . . . . ?
C2 C1 C6 C5 2.3(8) . . . . ?
C2 C3 C4 C5 1.7(11) . . . . ?
C3 C4 C5 C6 -0.5(11) . . . . ?
C4 C5 C6 C1 -1.5(10) . . . . ?
C6 C1 C2 C3 -1.2(8) . . . . ?
C7 P1 C1 C2 -71.1(5) . . . . ?
C7 P1 C1 C6 105.0(5) . . . . ?
C7 P1 C13 C14 -176.9(4) . . . . ?
C7 C8 C9 C10 -1.8(11) . . . . ?
C8 C7 C12 C11 -3.8(9) . . . . ?
C8 C9 C10 C11 4.3(12) . . . . ?
C9 C10 C11 C12 -6.6(12) . . . . ?
C10 C11 C12 C7 6.4(11) . . . . ?
C12 C7 C8 C9 1.7(10) . . . . ?
C13 P1 C1 C2 41.6(5) . . . . ?
C13 P1 C1 C6 -142.2(4) . . . . ?
C13 P1 C7 C8 140.7(5) . . . . ?
C13 P1 C7 C12 -41.5(5) . . . . ?
C14 P2 C15 C16 57.9(6) . . . . ?
C14 P2 C15 C20 -121.7(4) . . . . ?
C14 P2 C21 C22 146.0(5) . . . . ?
C14 P2 C21 C26 -32.4(6) . . . . ?
C15 P2 C14 C13 179.6(4) . . . . ?
C15 P2 C21 C22 -98.3(5) . . . . ?
C15 P2 C21 C26 83.2(5) . . . . ?
C15 C16 C17 C18 -1.5(11) . . . . ?
C16 C15 C20 C19 2.5(9) . . . . ?
C16 C17 C18 C19 2.6(11) . . . . ?
C17 C18 C19 C20 -1.2(10) . . . . ?
C18 C19 C20 C15 -1.3(10) . . . . ?
C20 C15 C16 C17 -1.1(9) . . . . ?
C21 P2 C14 C13 -62.3(5) . . . . ?
C21 P2 C15 C16 -61.1(6) . . . . ?
C21 P2 C15 C20 119.4(5) . . . . ?
C21 C22 C23 C24 0.9(11) . . . . ?
C22 C21 C26 C25 -0.3(10) . . . . ?
C22 C23 C24 C25 -1.1(11) . . . . ?
C23 C24 C25 C26 0.7(11) . . . . ?
C24 C25 C26 C21 0.0(11) . . . . ?
C26 C21 C22 C23 -0.2(11) . . . . ?
C27 P3 O3 Dy1 -74.0(4) . . . . ?
C27 P3 C33 C34 -83.5(5) . . . . ?
C27 P3 C33 C38 92.7(5) . . . . ?
C27 P3 C39 C40 177.7(3) . . . . ?
C27 C28 C29 C30 -0.1(8) . . . . ?
C28 C27 C32 C31 -0.2(7) . . . . ?
C28 C29 C30 C31 -0.3(8) . . . . ?
C29 C30 C31 C32 0.4(8) . . . . ?
C30 C31 C32 C27 -0.2(8) . . . . ?
C32 C27 C28 C29 0.3(7) . . . . ?
C33 P3 O3 Dy1 166.5(4) . . . . ?
C33 P3 C27 C28 118.8(4) . . . . ?
C33 P3 C27 C32 -63.1(4) . . . . ?
C33 P3 C39 C40 -66.2(4) . . . . ?
C33 C34 C35 C36 1.5(13) . . . . ?
C34 C33 C38 C37 -1.5(10) . . . . ?
C34 C35 C36 C37 -1.9(14) . . . . ?
C35 C36 C37 C38 0.6(14) . . . . ?
C36 C37 C38 C33 1.1(12) . . . . ?
C38 C33 C34 C35 0.2(11) . . . . ?
C39 P3 O3 Dy1 42.7(5) . . . . ?
C39 P3 C27 C28 -123.2(4) . . . . ?
C39 P3 C27 C32 54.9(4) . . . . ?
C39 P3 C33 C34 163.4(5) . . . . ?
C39 P3 C33 C38 -20.4(5) . . . . ?
C40 P4 O4 Dy2 -48.5(4) . . . . ?
C40 P4 C41 C42 39.6(5) . . . . ?
C40 P4 C41 C46 -142.4(4) . . . . ?
C40 P4 C47 C48 -40.6(5) . . . . ?
C40 P4 C47 C52 141.2(4) . . . . ?
C41 P4 O4 Dy2 -168.8(3) . . . . ?
C41 P4 C40 C39 63.2(3) . . . . ?
C41 P4 C47 C48 76.8(5) . . . . ?
C41 P4 C47 C52 -101.4(4) . . . . ?
C41 C42 C43 C44 0.3(9) . . . . ?
C42 C41 C46 C45 0.9(8) . . . . ?
C42 C43 C44 C45 2.1(9) . . . . ?
C43 C44 C45 C46 -3.0(9) . . . . ?
C44 C45 C46 C41 1.5(9) . . . . ?
C46 C41 C42 C43 -1.8(8) . . . . ?
C47 P4 O4 Dy2 72.3(4) . . . . ?
C47 P4 C40 C39 180.0(3) . . . . ?
C47 P4 C41 C42 -76.7(4) . . . . ?
C47 P4 C41 C46 101.4(4) . . . . ?
C47 C48 C49 C50 0.1(9) . . . . ?
C48 C47 C52 C51 -1.1(8) . . . . ?
C48 C49 C50 C51 0.5(9) . . . . ?
C49 C50 C51 C52 -1.3(9) . . . . ?
C50 C51 C52 C47 1.6(8) . . . . ?
C52 C47 C48 C49 0.2(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.071
_oxdiff_exptl_absorpt_empirical_full_min 0.679
####################################################################### 
# 
# 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_wdr139-s6
_database_code_depnum_ccdc_archive 'CCDC 2131715'
loop_
_audit_author_name
_audit_author_address
'Ji-Dong Leng'
;Guangzhou University
China
;
_audit_update_record             
;
2021-12-30 deposited with the CCDC.	2022-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-12-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H36 Cl3 Dy O3 P3'
_chemical_formula_sum            'C39 H36 Cl3 Dy O3 P3'
_chemical_formula_weight         914.44
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H Dy P O Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   11.92540(10)
_cell_length_b                   12.06370(10)
_cell_length_c                   15.12950(10)
_cell_angle_alpha                96.8320(10)
_cell_angle_beta                 98.5820(10)
_cell_angle_gamma                115.4380(10)
_cell_volume                     1902.29(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    34122
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.0160
_cell_measurement_theta_min      3.0510
_shelx_estimated_absorpt_T_max   0.402
_shelx_estimated_absorpt_T_min   0.336
_exptl_absorpt_coefficient_mu    13.931
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.25470
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            46309
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.455
_diffrn_reflns_theta_min         3.018
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  22.00   0.50    0.10    --  -47.45  56.00-105.00  122
  2  ω   -116.00 -90.00   0.50    0.10    --  -47.45 -56.00 111.00   52
  3  ω    -87.00 -33.00   0.50    0.10    --  -47.45 -56.00 111.00  108
  4  ω     34.00  71.00   0.50    0.10    --   47.45  56.00-105.00   74
  5  ω   -130.00 -87.00   0.50    0.25    -- -102.00 -56.00 111.00   86
  6  ω   -172.00-136.00   0.50    0.25    -- -102.00 -56.00 111.00   72
  7  ω    -82.00 -30.00   0.50    0.25    -- -102.00  56.00-105.00  104
  8  ω    126.00 166.00   0.50    0.25    --  104.75  56.00-105.00   80
  9  ω    -93.00 -35.00   0.50    0.10    --  -47.45 -37.00-120.00  116
 10  ω     25.00  62.00   0.50    0.10    --   47.45  77.00 150.00   74
 11  ω     36.00  81.00   0.50    0.10    --   47.45  19.00  60.00   90
 12  ω     25.00  51.00   0.50    0.10    --   47.45  77.00 -90.00   52
 13  ω     35.00 111.00   0.50    0.10    --   47.45  37.00 -90.00  152
 14  ω     40.00 103.00   0.50    0.10    --   47.45  37.00 120.00  126
 15  ω     16.00  95.00   0.50    0.10    --   47.45-125.00 120.00  158
 16  ω     25.00  65.00   0.50    0.10    --   47.45  77.00  30.00   80
 17  ω     35.00  95.00   0.50    0.10    --   47.45  37.00-150.00  120
 18  ω     36.00  61.00   0.50    0.10    --   47.45  37.00  60.00   50
 19  ω     26.00  82.00   0.50    0.10    --   47.45  77.00 -60.00  112
 20  ω     26.00  70.00   0.50    0.10    --   47.45  77.00-180.00   88
 21  ω     26.00  65.00   0.50    0.10    --   47.45  77.00 -30.00   78
 22  ω     26.00  72.00   0.50    0.10    --   47.45  77.00  90.00   92
 23  ω     34.00  75.00   0.50    0.10    --   47.45  57.00 -60.00   82
 24  ω     82.00 122.00   0.50    0.10    --   47.45  19.00  60.00   80
 25  ω     39.00  95.00   0.50    0.10    --   47.45-125.00 -90.00  112
 26  ω     25.00  71.00   0.50    0.10    --   47.45  77.00-150.00   92
 27  ω    -24.00  55.00   0.50    0.10    --   47.45 -56.00 111.00  158
 28  ω   -175.00-113.00   0.50    0.25    -- -102.00 -71.00 145.85  124
 29  ω   -104.00 -77.00   0.50    0.25    -- -102.00 -82.00  60.96   54
 30  ω   -117.00 -29.00   0.50    0.25    -- -102.00  61.00  90.00  176
 31  ω   -118.00 -83.00   0.50    0.25    -- -102.00 -67.00   0.32   70
 32  ω   -110.00 -85.00   0.50    0.25    -- -102.00 -62.00-173.49   50
 33  ω   -173.00 -85.00   0.50    0.25    -- -102.00 -61.00  77.71  176
 34  ω   -168.00-142.00   0.50    0.25    -- -102.00 -76.00 175.13   52
 35  ω   -138.00 -79.00   0.50    0.25    -- -102.00 -76.00 175.13  118
 36  ω   -108.00 -81.00   0.50    0.25    -- -102.00 -72.00 -53.55   54
 37  ω   -103.00 -77.00   0.50    0.25    -- -102.00 -81.00   5.42   52
 38  ω   -175.00-125.00   0.50    0.25    -- -102.00 -61.00-150.00  100
 39  ω   -174.00-147.00   0.50    0.25    -- -102.00 -62.00-173.49   54
 40  ω   -174.00 -80.00   0.50    0.25    -- -102.00 -74.00-103.45  188
 41  ω   -105.00 -79.00   0.50    0.25    -- -102.00 -76.00 -19.58   52
 42  ω   -104.00 -79.00   0.50    0.25    -- -102.00 -77.00  90.00   50
 43  ω   -165.00-138.00   0.50    0.25    -- -102.00 -76.00 -19.58   54
 44  ω   -104.00 -79.00   0.50    0.25    -- -102.00 -77.00 120.00   50
 45  ω   -106.00 -79.00   0.50    0.25    -- -102.00 -76.00 -63.43   54
 46  ω   -108.00 -79.00   0.50    0.25    -- -102.00 -77.00 -90.00   58
 47  ω   -171.00-131.00   0.50    0.25    -- -102.00 -77.00 120.00   80
 48  ω   -105.00 -77.00   0.50    0.25    -- -102.00 -81.00  47.04   56
 49  ω   -106.00 -81.00   0.50    0.25    -- -102.00 -73.00 101.49   50
 50  ω   -131.00 -79.00   0.50    0.25    -- -102.00 -77.00 164.04  104
 51  ω   -158.00-132.00   0.50    0.25    -- -102.00 -81.00  47.04   52
 52  ω   -172.00 -79.00   0.50    0.25    -- -102.00 -77.00  30.00  186
 53  ω   -110.00 -85.00   0.50    0.25    -- -102.00 -61.00 125.14   50
 54  ω   -104.00 -79.00   0.50    0.25    -- -102.00 -76.00-170.60   50
 55  ω   -105.00 -80.00   0.50    0.25    -- -102.00 -74.00 -82.49   50
 56  ω   -125.00 -80.00   0.50    0.25    -- -102.00 -74.00 -36.54   90
 57  ω   -106.00 -80.00   0.50    0.25    -- -102.00 -75.00-119.12   52
 58  ω   -170.00-144.00   0.50    0.25    -- -102.00 -74.00 -36.54   52
 59  ω   -121.00 -84.00   0.50    0.25    -- -102.00 -64.00  59.29   74
 60  ω   -110.00 -85.00   0.50    0.25    -- -102.00 -61.00-150.00   50
 61  ω   -170.00 -90.00   0.50    0.25    -- -102.00 -57.00 -87.93  160
 62  ω   -155.00-124.00   0.50    0.25    -- -102.00 -61.00 -30.00   62
 63  ω   -123.00 -86.00   0.50    0.25    -- -102.00 -61.00 -30.00   74
 64  ω   -110.00 -85.00   0.50    0.25    -- -102.00 -62.00   5.78   50
 65  ω   -170.00 -85.00   0.50    0.25    -- -102.00 -65.00 -55.42  170
 66  ω   -107.00 -82.00   0.50    0.25    -- -102.00 -71.00  72.61   50
 67  ω   -173.00 -81.00   0.50    0.25    -- -102.00 -72.00  57.32  184
 68  ω   -107.00 -82.00   0.50    0.25    -- -102.00 -71.00 145.85   50
 69  ω   -145.00 -90.00   0.50    0.25    -- -102.00 -45.00-180.00  110
 70  ω     45.00 107.00   0.50    0.25    --  104.75 -94.00 120.00  124
 71  ω     38.00 109.00   0.50    0.25    --  104.75 -94.00 -30.00  142
 72  ω     41.00 126.00   0.50    0.25    --  104.75 -77.00 120.00  170
 73  ω     79.00 104.00   0.50    0.25    --  104.75 -94.00-150.00   50
 74  ω     89.00 115.00   0.50    0.25    --  104.75-125.00  90.00   52
 75  ω     54.00  79.00   0.50    0.25    --  104.75-125.00  90.00   50
 76  ω     89.00 114.00   0.50    0.25    --  104.75  61.00-150.00   50
 77  ω     34.00 106.00   0.50    0.25    --  104.75 -94.00 -60.00  144
 78  ω     52.00  77.00   0.50    0.25    --  104.75 -56.00 111.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1269580000
_diffrn_orient_matrix_UB_12      0.0798478000
_diffrn_orient_matrix_UB_13      0.0702603000
_diffrn_orient_matrix_UB_21      -0.0265380000
_diffrn_orient_matrix_UB_22      0.1144897000
_diffrn_orient_matrix_UB_23      0.0037014000
_diffrn_orient_matrix_UB_31      -0.0686751000
_diffrn_orient_matrix_UB_32      -0.0372970000
_diffrn_orient_matrix_UB_33      0.0782267000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7450
_reflns_number_total             7672
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.047
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7672
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0313
_refine_ls_restrained_S_all      1.061
_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)+(0.0597P)²+1.5449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0865
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C26(H26A,H26B), C39(H39A,H39B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.29072(2) 0.85215(2) 0.70908(2) 0.01211(6) Uani 1 1 d . . . . .
Cl1 Cl 0.17058(6) 0.88463(6) 0.56271(4) 0.02023(14) Uani 1 1 d . . . . .
Cl2 Cl 0.46061(6) 1.09134(6) 0.76155(4) 0.01651(13) Uani 1 1 d . . . . .
Cl3 Cl 0.14214(6) 0.87195(6) 0.81495(5) 0.02102(14) Uani 1 1 d . . . . .
P1 P 0.49511(6) 0.83487(6) 0.55136(4) 0.01305(13) Uani 1 1 d . . . . .
P2 P 0.44886(6) 0.80956(6) 0.92454(4) 0.01348(14) Uani 1 1 d . . . . .
P3 P 0.08857(6) 0.50121(6) 0.63805(4) 0.01267(13) Uani 1 1 d . . . . .
O1 O 0.42349(19) 0.82992(18) 0.62616(13) 0.0168(4) Uani 1 1 d . . . . .
O2 O 0.40064(19) 0.81364(18) 0.82784(13) 0.0162(4) Uani 1 1 d . . . . .
O3 O 0.17302(18) 0.64036(18) 0.66949(13) 0.0151(4) Uani 1 1 d . . . . .
C1 C 0.6608(3) 0.8950(3) 0.6028(2) 0.0169(5) Uani 1 1 d . . . . .
C2 C 0.7442(3) 0.8727(3) 0.5562(2) 0.0211(6) Uani 1 1 d . . . . .
H2 H 0.714865 0.829421 0.494189 0.025 Uiso 1 1 calc R U . . .
C3 C 0.8707(3) 0.9140(3) 0.6008(3) 0.0272(7) Uani 1 1 d . . . . .
H3 H 0.926948 0.896845 0.569835 0.033 Uiso 1 1 calc R U . . .
C4 C 0.9140(3) 0.9803(3) 0.6907(3) 0.0296(7) Uani 1 1 d . . . . .
H4 H 0.999794 1.007873 0.721340 0.036 Uiso 1 1 calc R U . . .
C5 C 0.8328(3) 1.0063(3) 0.7357(2) 0.0281(7) Uani 1 1 d . . . . .
H5 H 0.863971 1.054039 0.796485 0.034 Uiso 1 1 calc R U . . .
C6 C 0.7058(3) 0.9633(3) 0.6929(2) 0.0214(6) Uani 1 1 d . . . . .
H6 H 0.649945 0.980201 0.724547 0.026 Uiso 1 1 calc R U . . .
C7 C 0.4400(3) 0.6808(3) 0.48474(19) 0.0151(5) Uani 1 1 d . . . . .
C8 C 0.4583(3) 0.6584(3) 0.3963(2) 0.0200(6) Uani 1 1 d . . . . .
H8 H 0.499942 0.726600 0.368000 0.024 Uiso 1 1 calc R U . . .
C9 C 0.4154(3) 0.5361(3) 0.3504(2) 0.0226(6) Uani 1 1 d . . . . .
H9 H 0.428495 0.520769 0.290642 0.027 Uiso 1 1 calc R U . . .
C10 C 0.3535(3) 0.4360(3) 0.3909(2) 0.0209(6) Uani 1 1 d . . . . .
H10 H 0.323825 0.352518 0.358795 0.025 Uiso 1 1 calc R U . . .
C11 C 0.3348(3) 0.4580(3) 0.4785(2) 0.0203(6) Uani 1 1 d . . . . .
H11 H 0.292346 0.389461 0.506210 0.024 Uiso 1 1 calc R U . . .
C12 C 0.3781(3) 0.5795(3) 0.5254(2) 0.0174(5) Uani 1 1 d . . . . .
H12 H 0.365653 0.594254 0.585424 0.021 Uiso 1 1 calc R U . . .
C13 C 0.4757(3) 0.9324(2) 0.47475(18) 0.0162(5) Uani 1 1 d . . . . .
H13A H 0.523083 0.931476 0.426425 0.019 Uiso 1 1 calc R U . . .
H13B H 0.384472 0.897709 0.445005 0.019 Uiso 1 1 calc R U . . .
C14 C 0.6393(3) 0.7822(3) 0.8574(2) 0.0226(6) Uani 1 1 d . . . . .
H14 H 0.580172 0.751740 0.800132 0.027 Uiso 1 1 calc R U . . .
C15 C 0.7606(3) 0.7918(3) 0.8633(2) 0.0272(7) Uani 1 1 d . . . . .
H15 H 0.783758 0.766545 0.809906 0.033 Uiso 1 1 calc R U . . .
C16 C 0.8477(3) 0.8378(3) 0.9460(3) 0.0281(7) Uani 1 1 d . . . . .
H16 H 0.931328 0.846530 0.949051 0.034 Uiso 1 1 calc R U . . .
C17 C 0.8132(3) 0.8714(3) 1.0247(2) 0.0275(7) Uani 1 1 d . . . . .
H17 H 0.872702 0.901026 1.081808 0.033 Uiso 1 1 calc R U . . .
C18 C 0.6916(3) 0.8617(3) 1.0205(2) 0.0223(6) Uani 1 1 d . . . . .
H18 H 0.668292 0.884998 1.074486 0.027 Uiso 1 1 calc R U . . .
C19 C 0.6046(3) 0.8178(3) 0.93672(19) 0.0163(5) Uani 1 1 d . . . . .
C20 C 0.3438(3) 0.6651(3) 0.95191(18) 0.0157(5) Uani 1 1 d . . . . .
C21 C 0.3884(3) 0.5909(3) 0.9952(2) 0.0193(6) Uani 1 1 d . . . . .
H21 H 0.477198 0.619799 1.016717 0.023 Uiso 1 1 calc R U . . .
C22 C 0.3014(3) 0.4745(3) 1.0066(2) 0.0224(6) Uani 1 1 d . . . . .
H22 H 0.331146 0.423375 1.035514 0.027 Uiso 1 1 calc R U . . .
C23 C 0.1719(3) 0.4327(3) 0.9759(2) 0.0232(6) Uani 1 1 d . . . . .
H23 H 0.113336 0.352618 0.983302 0.028 Uiso 1 1 calc R U . . .
C24 C 0.1269(3) 0.5069(3) 0.9344(2) 0.0238(6) Uani 1 1 d . . . . .
H24 H 0.037904 0.477947 0.914055 0.029 Uiso 1 1 calc R U . . .
C25 C 0.2123(3) 0.6233(3) 0.9225(2) 0.0195(6) Uani 1 1 d . . . . .
H25 H 0.181725 0.674503 0.894638 0.023 Uiso 1 1 calc R U . . .
C26 C 0.4547(3) 0.9349(3) 1.00611(19) 0.0172(5) Uani 1 1 d . . . . .
H26A H 0.367972 0.927971 0.999905 0.021 Uiso 1 1 calc R U . . .
H26B H 0.482163 0.925261 1.068560 0.021 Uiso 1 1 calc R U . . .
C27 C 0.1719(3) 0.4131(3) 0.66887(19) 0.0160(5) Uani 1 1 d . . . . .
C28 C 0.2792(3) 0.4721(3) 0.74103(19) 0.0199(6) Uani 1 1 d . . . . .
H28 H 0.310562 0.558132 0.767872 0.024 Uiso 1 1 calc R U . . .
C29 C 0.3398(3) 0.4044(3) 0.7732(2) 0.0267(7) Uani 1 1 d . . . . .
H29 H 0.412118 0.444013 0.822731 0.032 Uiso 1 1 calc R U . . .
C30 C 0.2955(3) 0.2792(3) 0.7335(2) 0.0286(7) Uani 1 1 d . . . . .
H30 H 0.337047 0.233218 0.756292 0.034 Uiso 1 1 calc R U . . .
C31 C 0.1904(3) 0.2211(3) 0.6606(2) 0.0242(6) Uani 1 1 d . . . . .
H31 H 0.161207 0.135786 0.632796 0.029 Uiso 1 1 calc R U . . .
C32 C 0.1276(3) 0.2872(3) 0.6281(2) 0.0195(6) Uani 1 1 d . . . . .
H32 H 0.055228 0.247214 0.578609 0.023 Uiso 1 1 calc R U . . .
C33 C -0.0446(3) 0.4519(3) 0.69253(18) 0.0154(5) Uani 1 1 d . . . . .
C34 C -0.0633(3) 0.5443(3) 0.74336(19) 0.0176(5) Uani 1 1 d . . . . .
H34 H -0.013243 0.630218 0.742787 0.021 Uiso 1 1 calc R U . . .
C35 C -0.1559(3) 0.5098(3) 0.7950(2) 0.0224(6) Uani 1 1 d . . . . .
H35 H -0.167932 0.572644 0.830516 0.027 Uiso 1 1 calc R U . . .
C36 C -0.2302(3) 0.3851(3) 0.7950(2) 0.0218(6) Uani 1 1 d . . . . .
H36 H -0.292228 0.362402 0.831151 0.026 Uiso 1 1 calc R U . . .
C37 C -0.2143(3) 0.2926(3) 0.7421(2) 0.0244(6) Uani 1 1 d . . . . .
H37 H -0.267253 0.206692 0.740651 0.029 Uiso 1 1 calc R U . . .
C38 C -0.1209(3) 0.3257(3) 0.6911(2) 0.0214(6) Uani 1 1 d . . . . .
H38 H -0.109304 0.262579 0.655664 0.026 Uiso 1 1 calc R U . . .
C39 C 0.0311(3) 0.4593(2) 0.51561(18) 0.0148(5) Uani 1 1 d . . . . .
H39A H 0.102900 0.471962 0.485733 0.018 Uiso 1 1 calc R U . . .
H39B H -0.031964 0.369649 0.497338 0.018 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 Cl1 2.6177(6) . ?
Dy1 Cl2 2.6484(6) . ?
Dy1 Cl3 2.6232(7) . ?
Dy1 O1 2.243(2) . ?
Dy1 O2 2.2762(18) . ?
Dy1 O3 2.2718(19) . ?
P1 O1 1.508(2) . ?
P1 C1 1.792(3) . ?
P1 C7 1.791(3) . ?
P1 C13 1.805(3) . ?
P2 O2 1.5047(19) . ?
P2 C19 1.797(3) . ?
P2 C20 1.797(3) . ?
P2 C26 1.804(3) . ?
P3 O3 1.508(2) . ?
P3 C27 1.795(3) . ?
P3 C33 1.803(3) . ?
P3 C39 1.805(3) . ?
C1 C2 1.399(4) . ?
C1 C6 1.399(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.396(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.401(4) . ?
C7 C12 1.398(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.388(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.390(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(4) . ?
C12 H12 0.9500 . ?
C13 C13 1.530(5) 2_676 ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14 0.9500 . ?
C14 C15 1.388(4) . ?
C14 C19 1.405(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.380(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.388(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.395(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(4) . ?
C20 C21 1.399(4) . ?
C20 C25 1.404(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.392(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(4) . ?
C25 H25 0.9500 . ?
C26 C26 1.530(5) 2_677 ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.398(4) . ?
C27 C32 1.398(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.387(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.389(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.391(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.394(4) . ?
C33 C38 1.394(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.395(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.379(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.392(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.393(4) . ?
C38 H38 0.9500 . ?
C39 C39 1.539(5) 2_566 ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?

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
Cl1 Dy1 Cl2 94.41(2) . . ?
Cl1 Dy1 Cl3 96.06(2) . . ?
Cl3 Dy1 Cl2 94.03(2) . . ?
O1 Dy1 Cl1 87.89(5) . . ?
O1 Dy1 Cl2 86.55(5) . . ?
O1 Dy1 Cl3 175.95(5) . . ?
O1 Dy1 O2 87.51(7) . . ?
O1 Dy1 O3 86.98(7) . . ?
O2 Dy1 Cl1 174.85(5) . . ?
O2 Dy1 Cl2 87.62(5) . . ?
O2 Dy1 Cl3 88.51(5) . . ?
O3 Dy1 Cl1 92.28(5) . . ?
O3 Dy1 Cl2 170.51(5) . . ?
O3 Dy1 Cl3 91.94(5) . . ?
O3 Dy1 O2 85.17(7) . . ?
O1 P1 C1 108.52(12) . . ?
O1 P1 C7 110.39(12) . . ?
O1 P1 C13 112.33(12) . . ?
C1 P1 C13 109.36(13) . . ?
C7 P1 C1 108.49(12) . . ?
C7 P1 C13 107.68(12) . . ?
O2 P2 C19 109.67(13) . . ?
O2 P2 C20 109.86(12) . . ?
O2 P2 C26 112.12(12) . . ?
C19 P2 C26 109.74(13) . . ?
C20 P2 C19 108.55(13) . . ?
C20 P2 C26 106.80(13) . . ?
O3 P3 C27 111.51(12) . . ?
O3 P3 C33 110.35(12) . . ?
O3 P3 C39 111.14(12) . . ?
C27 P3 C33 106.26(13) . . ?
C27 P3 C39 107.76(12) . . ?
C33 P3 C39 109.66(13) . . ?
P1 O1 Dy1 161.83(12) . . ?
P2 O2 Dy1 159.07(13) . . ?
P3 O3 Dy1 175.88(12) . . ?
C2 C1 P1 121.7(2) . . ?
C6 C1 P1 118.5(2) . . ?
C6 C1 C2 119.8(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.2 . . ?
C5 C6 C1 119.6(3) . . ?
C5 C6 H6 120.2 . . ?
C8 C7 P1 123.3(2) . . ?
C12 C7 P1 117.1(2) . . ?
C12 C7 C8 119.6(3) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.6(3) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.6(3) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(3) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.1(3) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 H12 119.9 . . ?
C11 C12 C7 120.2(3) . . ?
C11 C12 H12 119.9 . . ?
P1 C13 H13A 109.3 . . ?
P1 C13 H13B 109.3 . . ?
C13 C13 P1 111.5(2) 2_676 . ?
C13 C13 H13A 109.3 2_676 . ?
C13 C13 H13B 109.3 2_676 . ?
H13A C13 H13B 108.0 . . ?
C15 C14 H14 120.2 . . ?
C15 C14 C19 119.6(3) . . ?
C19 C14 H14 120.2 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(3) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.4(3) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C14 C19 P2 117.7(2) . . ?
C18 C19 P2 122.4(2) . . ?
C18 C19 C14 119.9(3) . . ?
C21 C20 P2 122.5(2) . . ?
C21 C20 C25 119.9(3) . . ?
C25 C20 P2 117.4(2) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.4(3) . . ?
C22 C21 H21 120.3 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.5(3) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 119.9(3) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 H25 120.1 . . ?
C24 C25 C20 119.8(3) . . ?
C24 C25 H25 120.1 . . ?
P2 C26 H26A 109.0 . . ?
P2 C26 H26B 109.0 . . ?
C26 C26 P2 113.0(3) 2_677 . ?
C26 C26 H26A 109.0 2_677 . ?
C26 C26 H26B 109.0 2_677 . ?
H26A C26 H26B 107.8 . . ?
C28 C27 P3 117.3(2) . . ?
C28 C27 C32 120.1(3) . . ?
C32 C27 P3 122.4(2) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.6(3) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.5(3) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.3(3) . . ?
C32 C31 H31 119.9 . . ?
C27 C32 H32 120.2 . . ?
C31 C32 C27 119.5(3) . . ?
C31 C32 H32 120.2 . . ?
C34 C33 P3 118.1(2) . . ?
C38 C33 P3 121.6(2) . . ?
C38 C33 C34 120.1(3) . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.6(3) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.5(3) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 119.9(3) . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.2(3) . . ?
C38 C37 H37 119.9 . . ?
C33 C38 H38 120.2 . . ?
C37 C38 C33 119.6(3) . . ?
C37 C38 H38 120.2 . . ?
P3 C39 H39A 109.7 . . ?
P3 C39 H39B 109.7 . . ?
C39 C39 P3 110.0(2) 2_566 . ?
C39 C39 H39A 109.7 2_566 . ?
C39 C39 H39B 109.7 2_566 . ?
H39A C39 H39B 108.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C1 C2 C3 -175.7(2) . . . . ?
P1 C1 C6 C5 177.2(2) . . . . ?
P1 C7 C8 C9 178.3(2) . . . . ?
P1 C7 C12 C11 -178.9(2) . . . . ?
P2 C20 C21 C22 -173.9(2) . . . . ?
P2 C20 C25 C24 174.1(2) . . . . ?
P3 C27 C28 C29 173.9(2) . . . . ?
P3 C27 C32 C31 -174.3(2) . . . . ?
P3 C33 C34 C35 -172.6(2) . . . . ?
P3 C33 C38 C37 173.3(2) . . . . ?
O1 P1 C1 C2 158.3(2) . . . . ?
O1 P1 C1 C6 -20.1(3) . . . . ?
O1 P1 C7 C8 159.9(2) . . . . ?
O1 P1 C7 C12 -21.4(2) . . . . ?
O1 P1 C13 C13 60.0(3) . . . 2_676 ?
O2 P2 C19 C14 -22.1(3) . . . . ?
O2 P2 C19 C18 155.7(2) . . . . ?
O2 P2 C20 C21 133.2(2) . . . . ?
O2 P2 C20 C25 -42.5(3) . . . . ?
O2 P2 C26 C26 -61.9(3) . . . 2_677 ?
O3 P3 C27 C28 22.0(3) . . . . ?
O3 P3 C27 C32 -162.8(2) . . . . ?
O3 P3 C33 C34 8.8(2) . . . . ?
O3 P3 C33 C38 -165.7(2) . . . . ?
O3 P3 C39 C39 -52.6(3) . . . 2_566 ?
C1 P1 O1 Dy1 132.0(4) . . . . ?
C1 P1 C7 C8 -81.3(3) . . . . ?
C1 P1 C7 C12 97.4(2) . . . . ?
C1 P1 C13 C13 -60.6(3) . . . 2_676 ?
C1 C2 C3 C4 -1.8(5) . . . . ?
C2 C1 C6 C5 -1.2(4) . . . . ?
C2 C3 C4 C5 -0.5(5) . . . . ?
C3 C4 C5 C6 2.0(5) . . . . ?
C4 C5 C6 C1 -1.1(5) . . . . ?
C6 C1 C2 C3 2.7(4) . . . . ?
C7 P1 O1 Dy1 -109.2(4) . . . . ?
C7 P1 C1 C2 38.3(3) . . . . ?
C7 P1 C1 C6 -140.1(2) . . . . ?
C7 P1 C13 C13 -178.3(3) . . . 2_676 ?
C7 C8 C9 C10 0.6(4) . . . . ?
C8 C7 C12 C11 -0.2(4) . . . . ?
C8 C9 C10 C11 -0.4(5) . . . . ?
C9 C10 C11 C12 -0.1(4) . . . . ?
C10 C11 C12 C7 0.4(4) . . . . ?
C12 C7 C8 C9 -0.3(4) . . . . ?
C13 P1 O1 Dy1 11.0(4) . . . . ?
C13 P1 C1 C2 -78.9(3) . . . . ?
C13 P1 C1 C6 102.7(2) . . . . ?
C13 P1 C7 C8 37.0(3) . . . . ?
C13 P1 C7 C12 -144.3(2) . . . . ?
C14 C15 C16 C17 2.0(5) . . . . ?
C15 C14 C19 P2 177.5(2) . . . . ?
C15 C14 C19 C18 -0.3(4) . . . . ?
C15 C16 C17 C18 -1.6(5) . . . . ?
C16 C17 C18 C19 0.2(5) . . . . ?
C17 C18 C19 P2 -177.0(2) . . . . ?
C17 C18 C19 C14 0.7(4) . . . . ?
C19 P2 O2 Dy1 -151.0(3) . . . . ?
C19 P2 C20 C21 13.3(3) . . . . ?
C19 P2 C20 C25 -162.4(2) . . . . ?
C19 P2 C26 C26 60.2(3) . . . 2_677 ?
C19 C14 C15 C16 -1.0(5) . . . . ?
C20 P2 O2 Dy1 89.8(4) . . . . ?
C20 P2 C19 C14 97.9(2) . . . . ?
C20 P2 C19 C18 -84.3(3) . . . . ?
C20 P2 C26 C26 177.7(2) . . . 2_677 ?
C20 C21 C22 C23 -0.5(4) . . . . ?
C21 C20 C25 C24 -1.7(4) . . . . ?
C21 C22 C23 C24 -0.7(5) . . . . ?
C22 C23 C24 C25 0.7(5) . . . . ?
C23 C24 C25 C20 0.6(5) . . . . ?
C25 C20 C21 C22 1.7(4) . . . . ?
C26 P2 O2 Dy1 -28.8(4) . . . . ?
C26 P2 C19 C14 -145.7(2) . . . . ?
C26 P2 C19 C18 32.1(3) . . . . ?
C26 P2 C20 C21 -104.9(2) . . . . ?
C26 P2 C20 C25 79.3(2) . . . . ?
C27 P3 C33 C34 129.9(2) . . . . ?
C27 P3 C33 C38 -44.7(3) . . . . ?
C27 P3 C39 C39 -175.1(2) . . . 2_566 ?
C27 C28 C29 C30 0.8(5) . . . . ?
C28 C27 C32 C31 0.7(4) . . . . ?
C28 C29 C30 C31 0.5(5) . . . . ?
C29 C30 C31 C32 -1.2(5) . . . . ?
C30 C31 C32 C27 0.6(4) . . . . ?
C32 C27 C28 C29 -1.4(4) . . . . ?
C33 P3 C27 C28 -98.3(2) . . . . ?
C33 P3 C27 C32 76.9(3) . . . . ?
C33 P3 C39 C39 69.7(3) . . . 2_566 ?
C33 C34 C35 C36 -1.0(4) . . . . ?
C34 C33 C38 C37 -1.2(4) . . . . ?
C34 C35 C36 C37 -1.0(5) . . . . ?
C35 C36 C37 C38 1.9(5) . . . . ?
C36 C37 C38 C33 -0.8(5) . . . . ?
C38 C33 C34 C35 2.1(4) . . . . ?
C39 P3 C27 C28 144.2(2) . . . . ?
C39 P3 C27 C32 -40.6(3) . . . . ?
C39 P3 C33 C34 -113.9(2) . . . . ?
C39 P3 C33 C38 71.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.723
_oxdiff_exptl_absorpt_empirical_full_min 0.555
