# 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 
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data_1_a
_database_code_depnum_ccdc_archive 'CCDC 2169008'
loop_
_audit_author_name
_audit_author_address
'XiuFang Ma'
;NanJing university
China
;
_audit_update_record             
;
2022-04-27 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2022-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H63 Cl3 Dy O9 P3'
_chemical_formula_sum            'C57 H63 Cl3 Dy O9 P3'
_chemical_formula_weight         1253.83
_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                   11.0482(10)
_cell_length_b                   11.3702(9)
_cell_length_c                   22.3373(15)
_cell_angle_alpha                89.823(2)
_cell_angle_beta                 81.860(2)
_cell_angle_gamma                82.276(2)
_cell_volume                     2752.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.522
_cell_measurement_theta_min      2.424
_shelx_estimated_absorpt_T_max   0.7456
_shelx_estimated_absorpt_T_min   0.6503
_exptl_absorpt_coefficient_mu    1.646
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25820
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.546
_diffrn_reflns_theta_min         2.015
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD Area Detetor'
_diffrn_measurement_method       'φ and ω scans'
_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                10899
_reflns_number_total             12492
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.989
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     684
_refine_ls_number_reflns         12492
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0370
_refine_ls_restrained_S_all      1.032
_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)+(0.0277P)²+1.2083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0924
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C38A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(C37A)=Sof(H37C)=Sof(H37D)=Sof(C38A)=Sof(H38D)=Sof(H38E)=Sof(H38F)=1-FVAR(1)
 Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C16(H16A,H16B), C18(H18A,H18B), C20(H20A,H20B), C35(H35A,H35B),
 C39(H39A,H39B), C54(H54A,H54B), C56(H56A,H56B), C37(H37A,H37B), C37A(H37C,H37D)
4.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C30(H30), C31(H31),
  C32(H32), C33(H33), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47),
 C49(H49), C50(H50), C51(H51), C52(H52)
4.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C36(H36A,H36B,H36C), C55(H55A,H55B,
 H55C), C57(H57A,H57B,H57C), C38(H38A,H38B,H38C), C38A(H38D,H38E,H38F)
;
_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 0.70332(2) 0.70674(2) 0.74477(2) 0.02079(5) Uani 1 1 d . . . . .
Cl1 Cl 0.61207(9) 0.59650(7) 0.66298(4) 0.03420(19) Uani 1 1 d . . . . .
Cl2 Cl 0.80043(9) 0.79518(8) 0.83241(4) 0.03508(19) Uani 1 1 d . . . . .
Cl3 Cl 0.51786(8) 0.87663(7) 0.74909(4) 0.02986(17) Uani 1 1 d . . . . .
P1 P 1.00518(8) 0.51175(7) 0.72764(4) 0.02384(17) Uani 1 1 d . . . . .
P2 P 0.52106(10) 0.61627(8) 0.87759(4) 0.0338(2) Uani 1 1 d . . . . .
P3 P 0.81402(8) 0.84915(7) 0.60696(3) 0.02132(16) Uani 1 1 d . . . . .
O1 O 0.8735(2) 0.56382(19) 0.73502(11) 0.0296(5) Uani 1 1 d . . . . .
O2 O 1.0966(2) 0.5889(2) 0.69183(10) 0.0311(5) Uani 1 1 d . . . . .
O3 O 1.0550(2) 0.4898(2) 0.78920(10) 0.0325(5) Uani 1 1 d . . . . .
O4 O 0.6097(2) 0.6036(2) 0.82038(10) 0.0300(5) Uani 1 1 d . . . . .
O5 O 0.5786(4) 0.5784(3) 0.93494(12) 0.0649(10) Uani 1 1 d . . . . .
O6 O 0.4153(3) 0.5406(3) 0.87475(15) 0.0651(11) Uani 1 1 d . U . . .
O7 O 0.8111(2) 0.80485(19) 0.66992(9) 0.0231(5) Uani 1 1 d . . . . .
O8 O 0.8964(2) 0.7599(2) 0.56020(10) 0.0328(6) Uani 1 1 d . . . . .
O9 O 0.8695(2) 0.96678(19) 0.59598(10) 0.0286(5) Uani 1 1 d . . . . .
C1 C 1.0361(3) 0.3759(3) 0.68404(14) 0.0268(7) Uani 1 1 d . . . . .
H1A H 1.000345 0.388661 0.646909 0.032 Uiso 1 1 calc R . . . .
H1B H 1.124632 0.356519 0.673031 0.032 Uiso 1 1 calc R . . . .
C2 C 0.9864(3) 0.2706(3) 0.71617(14) 0.0251(7) Uani 1 1 d . . . . .
C3 C 0.8674(3) 0.2457(3) 0.71010(14) 0.0250(7) Uani 1 1 d . . . . .
C4 C 0.7845(3) 0.3183(3) 0.67753(16) 0.0326(8) Uani 1 1 d . . . . .
H4 H 0.806639 0.389140 0.661361 0.039 Uiso 1 1 calc R . . . .
C5 C 0.6736(4) 0.2860(3) 0.66965(17) 0.0386(9) Uani 1 1 d . . . . .
H5 H 0.621228 0.334570 0.648013 0.046 Uiso 1 1 calc R . . . .
C6 C 0.6371(4) 0.1788(3) 0.69419(17) 0.0387(9) Uani 1 1 d . . . . .
H6 H 0.561821 0.156666 0.687852 0.046 Uiso 1 1 calc R . . . .
C7 C 0.7107(4) 0.1093(3) 0.72642(16) 0.0352(8) Uani 1 1 d . . . . .
H7 H 0.684916 0.040118 0.742919 0.042 Uiso 1 1 calc R . . . .
C8 C 0.8276(3) 0.1393(3) 0.73592(15) 0.0289(7) Uani 1 1 d . . . . .
C9 C 0.9034(4) 0.0663(3) 0.76858(15) 0.0326(8) Uani 1 1 d . . . . .
H9 H 0.876065 -0.001980 0.785491 0.039 Uiso 1 1 calc R . . . .
C10 C 1.0186(3) 0.0917(3) 0.77681(14) 0.0281(7) Uani 1 1 d . . . . .
C11 C 1.0957(4) 0.0154(3) 0.81079(17) 0.0400(9) Uani 1 1 d . . . . .
H11 H 1.066244 -0.050672 0.829150 0.048 Uiso 1 1 calc R . . . .
C12 C 1.2098(4) 0.0369(3) 0.8168(2) 0.0473(10) Uani 1 1 d . . . . .
H12 H 1.258905 -0.014668 0.838760 0.057 Uiso 1 1 calc R . . . .
C13 C 1.2557(4) 0.1378(3) 0.7899(2) 0.0455(10) Uani 1 1 d . . . . .
H13 H 1.335164 0.151980 0.793842 0.055 Uiso 1 1 calc R . . . .
C14 C 1.1836(3) 0.2148(3) 0.75805(17) 0.0347(8) Uani 1 1 d . . . . .
H14 H 1.214775 0.281553 0.741375 0.042 Uiso 1 1 calc R . . . .
C15 C 1.0628(3) 0.1957(3) 0.74981(14) 0.0262(7) Uani 1 1 d . . . . .
C16 C 1.1097(4) 0.7078(3) 0.71240(18) 0.0401(9) Uani 1 1 d . . . . .
H16A H 1.042515 0.735281 0.744121 0.048 Uiso 1 1 calc R . . . .
H16B H 1.106607 0.762567 0.679102 0.048 Uiso 1 1 calc R . . . .
C17 C 1.2303(4) 0.7040(4) 0.73585(18) 0.0488(11) Uani 1 1 d . . . . .
H17A H 1.295911 0.670452 0.705393 0.073 Uiso 1 1 calc GR . . . .
H17B H 1.229577 0.656079 0.771322 0.073 Uiso 1 1 calc GR . . . .
H17C H 1.242867 0.783085 0.745903 0.073 Uiso 1 1 calc GR . . . .
C18 C 0.9775(4) 0.4610(4) 0.84444(16) 0.0438(10) Uani 1 1 d . . . . .
H18A H 0.931282 0.397318 0.836657 0.053 Uiso 1 1 calc R . . . .
H18B H 0.919729 0.529851 0.859555 0.053 Uiso 1 1 calc R . . . .
C19 C 1.0633(5) 0.4232(5) 0.8896(2) 0.0676(15) Uani 1 1 d . . . . .
H19A H 1.117198 0.352697 0.874882 0.101 Uiso 1 1 calc GR . . . .
H19B H 1.016092 0.407183 0.927454 0.101 Uiso 1 1 calc GR . . . .
H19C H 1.111569 0.485430 0.895153 0.101 Uiso 1 1 calc GR . . . .
C20 C 0.4539(4) 0.7654(3) 0.89352(14) 0.0324(8) Uani 1 1 d . . . . .
H20A H 0.520544 0.813498 0.891062 0.039 Uiso 1 1 calc R . . . .
H20B H 0.406123 0.790558 0.861395 0.039 Uiso 1 1 calc R . . . .
C21 C 0.3709(4) 0.7956(3) 0.95349(14) 0.0298(8) Uani 1 1 d . . . . .
C22 C 0.2437(4) 0.7954(3) 0.95780(15) 0.0335(8) Uani 1 1 d . . . . .
C23 C 0.1854(4) 0.7568(3) 0.90960(18) 0.0420(9) Uani 1 1 d . . . . .
H23 H 0.233860 0.728398 0.873786 0.050 Uiso 1 1 calc R . . . .
C24 C 0.0604(4) 0.7607(4) 0.9148(2) 0.0499(11) Uani 1 1 d . . . . .
H24 H 0.025392 0.734406 0.882723 0.060 Uiso 1 1 calc R . . . .
C25 C -0.0160(5) 0.8038(4) 0.9677(2) 0.0621(13) Uani 1 1 d . . . . .
H25 H -0.101188 0.807142 0.970407 0.075 Uiso 1 1 calc R . . . .
C26 C 0.0342(4) 0.8402(4) 1.0148(2) 0.0563(12) Uani 1 1 d . . . . .
H26 H -0.017075 0.868194 1.049956 0.068 Uiso 1 1 calc R . . . .
C27 C 0.1639(4) 0.8369(3) 1.01197(17) 0.0393(9) Uani 1 1 d . . . . .
C28 C 0.2166(4) 0.8751(4) 1.05989(17) 0.0443(10) Uani 1 1 d . . . . .
H28 H 0.165349 0.901736 1.095255 0.053 Uiso 1 1 calc R . . . .
C29 C 0.3423(4) 0.8751(3) 1.05715(15) 0.0368(9) Uani 1 1 d . . . . .
C30 C 0.3947(4) 0.9196(4) 1.10578(17) 0.0446(10) Uani 1 1 d . . . . .
H30 H 0.342981 0.947616 1.140766 0.054 Uiso 1 1 calc R . . . .
C31 C 0.5154(5) 0.9222(3) 1.10261(18) 0.0471(11) Uani 1 1 d . . . . .
H31 H 0.546824 0.951303 1.135239 0.057 Uiso 1 1 calc R . . . .
C32 C 0.5962(4) 0.8810(3) 1.04983(19) 0.0456(10) Uani 1 1 d . . . . .
H32 H 0.680510 0.882874 1.048112 0.055 Uiso 1 1 calc R . . . .
C33 C 0.5521(4) 0.8387(3) 1.00169(17) 0.0371(8) Uani 1 1 d . . . . .
H33 H 0.606728 0.812144 0.967376 0.045 Uiso 1 1 calc R . . . .
C34 C 0.4237(3) 0.8343(3) 1.00274(15) 0.0301(7) Uani 1 1 d . . . . .
C35 C 0.6689(5) 0.4796(4) 0.9419(2) 0.0600(13) Uani 1 1 d . . . . .
H35A H 0.717005 0.456478 0.902961 0.072 Uiso 1 1 calc R . . . .
H35B H 0.628640 0.412799 0.957431 0.072 Uiso 1 1 calc R . . . .
C36 C 0.7518(6) 0.5121(5) 0.9846(2) 0.0755(16) Uani 1 1 d . . . . .
H36A H 0.798317 0.572209 0.967022 0.113 Uiso 1 1 calc GR . . . .
H36B H 0.807330 0.443170 0.992482 0.113 Uiso 1 1 calc GR . . . .
H36C H 0.703082 0.541775 1.021861 0.113 Uiso 1 1 calc GR . . . .
C39 C 0.6645(3) 0.8831(3) 0.58468(13) 0.0247(6) Uani 1 1 d . . . . .
H39A H 0.616402 0.820600 0.598948 0.030 Uiso 1 1 calc R . . . .
H39B H 0.624457 0.956108 0.605151 0.030 Uiso 1 1 calc R . . . .
C40 C 0.6601(3) 0.8972(3) 0.51763(14) 0.0225(6) Uani 1 1 d . . . . .
C41 C 0.6494(3) 0.7978(3) 0.48222(14) 0.0245(6) Uani 1 1 d . . . . .
C42 C 0.6458(3) 0.6811(3) 0.50603(15) 0.0289(7) Uani 1 1 d . . . . .
H42 H 0.653423 0.668788 0.546583 0.035 Uiso 1 1 calc R . . . .
C43 C 0.6315(4) 0.5883(3) 0.47118(17) 0.0358(8) Uani 1 1 d . . . . .
H43 H 0.628071 0.514006 0.488402 0.043 Uiso 1 1 calc R . . . .
C44 C 0.6216(4) 0.6021(3) 0.40888(18) 0.0378(8) Uani 1 1 d . . . . .
H44 H 0.612415 0.537460 0.385342 0.045 Uiso 1 1 calc R . . . .
C45 C 0.6256(3) 0.7103(3) 0.38408(15) 0.0334(8) Uani 1 1 d . . . . .
H45 H 0.619078 0.719321 0.343217 0.040 Uiso 1 1 calc R . . . .
C46 C 0.6398(3) 0.8118(3) 0.41928(14) 0.0268(7) Uani 1 1 d . . . . .
C47 C 0.6413(3) 0.9234(3) 0.39371(14) 0.0279(7) Uani 1 1 d . . . . .
H47 H 0.635533 0.931879 0.352746 0.033 Uiso 1 1 calc R . . . .
C48 C 0.6512(3) 1.0222(3) 0.42803(14) 0.0255(7) Uani 1 1 d . . . . .
C49 C 0.6496(3) 1.1366(3) 0.40129(16) 0.0324(8) Uani 1 1 d . . . . .
H49 H 0.641914 1.144912 0.360513 0.039 Uiso 1 1 calc R . . . .
C50 C 0.6591(4) 1.2334(3) 0.43494(17) 0.0375(8) Uani 1 1 d . . . . .
H50 H 0.656726 1.307717 0.417336 0.045 Uiso 1 1 calc R . . . .
C51 C 0.6728(3) 1.2210(3) 0.49693(17) 0.0336(8) Uani 1 1 d . . . . .
H51 H 0.680991 1.287438 0.519452 0.040 Uiso 1 1 calc R . . . .
C52 C 0.6741(3) 1.1145(3) 0.52373(15) 0.0272(7) Uani 1 1 d . . . . .
H52 H 0.682964 1.109198 0.564479 0.033 Uiso 1 1 calc R . . . .
C53 C 0.6624(3) 1.0094(3) 0.49120(14) 0.0240(6) Uani 1 1 d . . . . .
C54 C 0.9319(4) 0.6349(3) 0.56983(17) 0.0341(8) Uani 1 1 d . . . . .
H54A H 0.881358 0.588217 0.550027 0.041 Uiso 1 1 calc R . . . .
H54B H 0.919882 0.618554 0.612746 0.041 Uiso 1 1 calc R . . . .
C55 C 1.0647(4) 0.6027(4) 0.54428(19) 0.0443(10) Uani 1 1 d . . . . .
H55A H 1.077031 0.624784 0.502572 0.066 Uiso 1 1 calc GR . . . .
H55B H 1.087662 0.518622 0.547319 0.066 Uiso 1 1 calc GR . . . .
H55C H 1.114762 0.643894 0.566540 0.066 Uiso 1 1 calc GR . . . .
C56 C 0.9967(3) 0.9827(3) 0.60254(15) 0.0294(7) Uani 1 1 d . . . . .
H56A H 1.054260 0.917845 0.582699 0.035 Uiso 1 1 calc R . . . .
H56B H 1.006622 0.984826 0.644959 0.035 Uiso 1 1 calc R . . . .
C57 C 1.0195(3) 1.0978(3) 0.57360(16) 0.0342(8) Uani 1 1 d . . . . .
H57A H 1.020297 1.090780 0.530716 0.051 Uiso 1 1 calc GR . . . .
H57B H 1.097606 1.117197 0.581600 0.051 Uiso 1 1 calc GR . . . .
H57C H 0.955100 1.159281 0.589873 0.051 Uiso 1 1 calc GR . . . .
C37 C 0.4441(11) 0.4158(8) 0.8522(6) 0.071(4) Uani 0.63(2) 1 d . . P A 1
H37A H 0.530417 0.387103 0.853499 0.086 Uiso 0.63(2) 1 calc R . P A 1
H37B H 0.394506 0.365746 0.877659 0.086 Uiso 0.63(2) 1 calc R . P A 1
C38 C 0.4176(10) 0.4107(10) 0.7901(5) 0.075(4) Uani 0.63(2) 1 d . . P A 1
H38A H 0.457722 0.468724 0.766440 0.112 Uiso 0.63(2) 1 calc GR . P A 1
H38B H 0.330101 0.426956 0.789915 0.112 Uiso 0.63(2) 1 calc GR . P A 1
H38C H 0.447528 0.332982 0.773121 0.112 Uiso 0.63(2) 1 calc GR . P A 1
C37A C 0.4091(15) 0.4693(19) 0.8193(9) 0.064(6) Uani 0.37(2) 1 d . . P A 2
H37C H 0.324757 0.458432 0.815898 0.077 Uiso 0.37(2) 1 calc R . P A 2
H37D H 0.444135 0.506814 0.783047 0.077 Uiso 0.37(2) 1 calc R . P A 2
C38A C 0.483(2) 0.357(2) 0.8296(11) 0.091(8) Uani 0.37(2) 1 d . U P A 2
H38D H 0.471485 0.298579 0.800650 0.136 Uiso 0.37(2) 1 calc GR . P A 2
H38E H 0.457718 0.330463 0.869727 0.136 Uiso 0.37(2) 1 calc GR . P A 2
H38F H 0.568609 0.367351 0.825174 0.136 Uiso 0.37(2) 1 calc GR . 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 Cl1 2.6079(8) . ?
Dy1 Cl2 2.6252(8) . ?
Dy1 Cl3 2.6116(8) . ?
Dy1 O1 2.300(2) . ?
Dy1 O4 2.262(2) . ?
Dy1 O7 2.289(2) . ?
P1 O1 1.481(3) . ?
P1 O2 1.560(2) . ?
P1 O3 1.560(2) . ?
P1 C1 1.795(3) . ?
P2 O4 1.491(2) . ?
P2 O5 1.544(3) . ?
P2 O6 1.550(3) . ?
P2 C20 1.773(3) . ?
P3 O7 1.490(2) . ?
P3 O8 1.562(2) . ?
P3 O9 1.549(2) . ?
P3 C39 1.785(3) . ?
O2 C16 1.462(4) . ?
O3 C18 1.462(4) . ?
O5 C35 1.422(6) . ?
O6 C37 1.485(9) . ?
O6 C37A 1.50(2) . ?
O8 C54 1.446(4) . ?
O9 C56 1.468(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.521(4) . ?
C2 C3 1.406(5) . ?
C2 C15 1.409(5) . ?
C3 C4 1.425(5) . ?
C3 C8 1.434(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.360(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.420(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.339(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.423(5) . ?
C8 C9 1.381(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.379(5) . ?
C10 C11 1.427(5) . ?
C10 C15 1.438(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.341(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.415(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.370(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.417(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.494(6) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.503(6) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.524(4) . ?
C21 C22 1.396(5) . ?
C21 C34 1.413(5) . ?
C22 C23 1.429(5) . ?
C22 C27 1.433(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.364(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.400(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.348(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.420(6) . ?
C27 C28 1.386(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(6) . ?
C29 C30 1.425(5) . ?
C29 C34 1.443(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.330(6) . ?
C31 H31 0.9300 . ?
C31 C32 1.414(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.356(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.423(5) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.492(7) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.513(4) . ?
C40 C41 1.408(4) . ?
C40 C53 1.406(4) . ?
C41 C42 1.432(4) . ?
C41 C46 1.432(4) . ?
C42 H42 0.9300 . ?
C42 C43 1.353(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.418(5) . ?
C44 H44 0.9300 . ?
C44 C45 1.351(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.436(5) . ?
C46 C47 1.390(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.387(5) . ?
C48 C49 1.429(4) . ?
C48 C53 1.439(4) . ?
C49 H49 0.9300 . ?
C49 C50 1.358(5) . ?
C50 H50 0.9300 . ?
C50 C51 1.419(5) . ?
C51 H51 0.9300 . ?
C51 C52 1.349(5) . ?
C52 H52 0.9300 . ?
C52 C53 1.430(4) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 C55 1.494(5) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 C57 1.494(4) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C38 1.46(2) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C37A H37C 0.9700 . ?
C37A H37D 0.9700 . ?
C37A C38A 1.46(4) . ?
C38A H38D 0.9600 . ?
C38A H38E 0.9600 . ?
C38A H38F 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 Cl2 173.79(3) . . ?
Cl1 Dy1 Cl3 89.52(3) . . ?
Cl3 Dy1 Cl2 95.08(3) . . ?
O1 Dy1 Cl1 90.03(6) . . ?
O1 Dy1 Cl2 85.68(6) . . ?
O1 Dy1 Cl3 175.84(6) . . ?
O4 Dy1 Cl1 92.06(6) . . ?
O4 Dy1 Cl2 83.47(6) . . ?
O4 Dy1 Cl3 94.11(7) . . ?
O4 Dy1 O1 90.04(8) . . ?
O4 Dy1 O7 175.97(8) . . ?
O7 Dy1 Cl1 89.66(6) . . ?
O7 Dy1 Cl2 94.53(6) . . ?
O7 Dy1 Cl3 89.54(6) . . ?
O7 Dy1 O1 86.32(8) . . ?
O1 P1 O2 115.25(14) . . ?
O1 P1 O3 112.86(14) . . ?
O1 P1 C1 112.93(15) . . ?
O2 P1 C1 101.88(14) . . ?
O3 P1 O2 104.10(13) . . ?
O3 P1 C1 108.90(15) . . ?
O4 P2 O5 114.57(18) . . ?
O4 P2 O6 110.88(15) . . ?
O4 P2 C20 112.53(15) . . ?
O5 P2 O6 106.5(2) . . ?
O5 P2 C20 103.83(16) . . ?
O6 P2 C20 107.98(19) . . ?
O7 P3 O8 111.72(13) . . ?
O7 P3 O9 114.48(13) . . ?
O7 P3 C39 113.36(14) . . ?
O8 P3 C39 109.33(15) . . ?
O9 P3 O8 104.10(13) . . ?
O9 P3 C39 103.14(14) . . ?
P1 O1 Dy1 158.90(14) . . ?
C16 O2 P1 122.1(2) . . ?
C18 O3 P1 122.9(2) . . ?
P2 O4 Dy1 143.50(14) . . ?
C35 O5 P2 128.1(3) . . ?
C37 O6 P2 119.9(5) . . ?
C37A O6 P2 121.1(6) . . ?
P3 O7 Dy1 144.77(13) . . ?
C54 O8 P3 125.8(2) . . ?
C56 O9 P3 124.8(2) . . ?
P1 C1 H1A 108.6 . . ?
P1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C2 C1 P1 114.5(2) . . ?
C2 C1 H1A 108.6 . . ?
C2 C1 H1B 108.6 . . ?
C3 C2 C1 120.1(3) . . ?
C3 C2 C15 120.7(3) . . ?
C15 C2 C1 119.2(3) . . ?
C2 C3 C4 123.7(3) . . ?
C2 C3 C8 118.9(3) . . ?
C4 C3 C8 117.4(3) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.3(3) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.5(4) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(4) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.3(3) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 C3 119.2(3) . . ?
C9 C8 C3 120.0(3) . . ?
C9 C8 C7 120.8(3) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 C8 121.8(3) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 C11 121.1(3) . . ?
C9 C10 C15 119.6(3) . . ?
C11 C10 C15 119.3(3) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 C10 121.5(3) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.1(4) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(4) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 119.1 . . ?
C13 C14 C15 121.8(3) . . ?
C15 C14 H14 119.1 . . ?
C2 C15 C10 119.0(3) . . ?
C2 C15 C14 124.0(3) . . ?
C14 C15 C10 117.0(3) . . ?
O2 C16 H16A 109.9 . . ?
O2 C16 H16B 109.9 . . ?
O2 C16 C17 109.1(3) . . ?
H16A C16 H16B 108.3 . . ?
C17 C16 H16A 109.9 . . ?
C17 C16 H16B 109.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 H18A 110.4 . . ?
O3 C18 H18B 110.4 . . ?
O3 C18 C19 106.4(4) . . ?
H18A C18 H18B 108.6 . . ?
C19 C18 H18A 110.4 . . ?
C19 C18 H18B 110.4 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P2 C20 H20A 107.5 . . ?
P2 C20 H20B 107.5 . . ?
H20A C20 H20B 107.0 . . ?
C21 C20 P2 119.2(2) . . ?
C21 C20 H20A 107.5 . . ?
C21 C20 H20B 107.5 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 C34 120.8(3) . . ?
C34 C21 C20 118.7(3) . . ?
C21 C22 C23 123.2(3) . . ?
C21 C22 C27 120.4(3) . . ?
C23 C22 C27 116.4(4) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 C22 121.6(4) . . ?
C24 C23 H23 119.2 . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 121.1(4) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.8(5) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.3 . . ?
C25 C26 C27 121.4(4) . . ?
C27 C26 H26 119.3 . . ?
C26 C27 C22 119.8(4) . . ?
C28 C27 C22 118.3(4) . . ?
C28 C27 C26 121.9(4) . . ?
C27 C28 H28 118.7 . . ?
C29 C28 C27 122.5(3) . . ?
C29 C28 H28 118.7 . . ?
C28 C29 C30 121.9(4) . . ?
C28 C29 C34 119.7(3) . . ?
C30 C29 C34 118.3(4) . . ?
C29 C30 H30 119.0 . . ?
C31 C30 C29 121.9(4) . . ?
C31 C30 H30 119.0 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.3(4) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 120.7(4) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 119.4 . . ?
C32 C33 C34 121.2(4) . . ?
C34 C33 H33 119.4 . . ?
C21 C34 C29 118.2(3) . . ?
C21 C34 C33 124.2(3) . . ?
C33 C34 C29 117.5(3) . . ?
O5 C35 H35A 109.8 . . ?
O5 C35 H35B 109.8 . . ?
O5 C35 C36 109.5(4) . . ?
H35A C35 H35B 108.2 . . ?
C36 C35 H35A 109.8 . . ?
C36 C35 H35B 109.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P3 C39 H39A 108.2 . . ?
P3 C39 H39B 108.2 . . ?
H39A C39 H39B 107.3 . . ?
C40 C39 P3 116.4(2) . . ?
C40 C39 H39A 108.2 . . ?
C40 C39 H39B 108.2 . . ?
C41 C40 C39 119.5(3) . . ?
C53 C40 C39 120.3(3) . . ?
C53 C40 C41 120.2(3) . . ?
C40 C41 C42 123.3(3) . . ?
C40 C41 C46 119.7(3) . . ?
C42 C41 C46 117.0(3) . . ?
C41 C42 H42 119.1 . . ?
C43 C42 C41 121.8(3) . . ?
C43 C42 H42 119.1 . . ?
C42 C43 H43 119.4 . . ?
C42 C43 C44 121.2(3) . . ?
C44 C43 H43 119.4 . . ?
C43 C44 H44 120.4 . . ?
C45 C44 C43 119.3(3) . . ?
C45 C44 H44 120.4 . . ?
C44 C45 H45 119.2 . . ?
C44 C45 C46 121.6(3) . . ?
C46 C45 H45 119.2 . . ?
C41 C46 C45 119.1(3) . . ?
C47 C46 C41 119.7(3) . . ?
C47 C46 C45 121.3(3) . . ?
C46 C47 H47 119.3 . . ?
C48 C47 C46 121.4(3) . . ?
C48 C47 H47 119.3 . . ?
C47 C48 C49 120.6(3) . . ?
C47 C48 C53 119.7(3) . . ?
C49 C48 C53 119.7(3) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 C48 120.5(3) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.0(3) . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.0(3) . . ?
C52 C51 H51 119.5 . . ?
C51 C52 H52 119.1 . . ?
C51 C52 C53 121.8(3) . . ?
C53 C52 H52 119.1 . . ?
C40 C53 C48 119.4(3) . . ?
C40 C53 C52 123.8(3) . . ?
C52 C53 C48 116.8(3) . . ?
O8 C54 H54A 110.0 . . ?
O8 C54 H54B 110.0 . . ?
O8 C54 C55 108.6(3) . . ?
H54A C54 H54B 108.3 . . ?
C55 C54 H54A 110.0 . . ?
C55 C54 H54B 110.0 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O9 C56 H56A 110.4 . . ?
O9 C56 H56B 110.4 . . ?
O9 C56 C57 106.6(3) . . ?
H56A C56 H56B 108.6 . . ?
C57 C56 H56A 110.4 . . ?
C57 C56 H56B 110.4 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O6 C37 H37A 109.9 . . ?
O6 C37 H37B 109.9 . . ?
H37A C37 H37B 108.3 . . ?
C38 C37 O6 109.0(11) . . ?
C38 C37 H37A 109.9 . . ?
C38 C37 H37B 109.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O6 C37A H37C 111.2 . . ?
O6 C37A H37D 111.2 . . ?
H37C C37A H37D 109.1 . . ?
C38A C37A O6 102.7(19) . . ?
C38A C37A H37C 111.2 . . ?
C38A C37A H37D 111.2 . . ?
C37A C38A H38D 109.5 . . ?
C37A C38A H38E 109.5 . . ?
C37A C38A H38F 109.5 . . ?
H38D C38A H38E 109.5 . . ?
H38D C38A H38F 109.5 . . ?
H38E C38A H38F 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 O2 C16 C17 107.5(3) . . . . ?
P1 O3 C18 C19 169.0(3) . . . . ?
P1 C1 C2 C3 90.9(3) . . . . ?
P1 C1 C2 C15 -91.8(3) . . . . ?
P2 O5 C35 C36 145.1(4) . . . . ?
P2 O6 C37 C38 -102.2(8) . . . . ?
P2 O6 C37A C38A 88.1(13) . . . . ?
P2 C20 C21 C22 -92.0(4) . . . . ?
P2 C20 C21 C34 93.8(4) . . . . ?
P3 O8 C54 C55 -138.1(3) . . . . ?
P3 O9 C56 C57 166.5(2) . . . . ?
P3 C39 C40 C41 91.2(3) . . . . ?
P3 C39 C40 C53 -91.0(3) . . . . ?
O1 P1 O2 C16 60.6(3) . . . . ?
O1 P1 O3 C18 31.0(3) . . . . ?
O1 P1 C1 C2 -71.4(3) . . . . ?
O2 P1 O1 Dy1 -29.4(5) . . . . ?
O2 P1 O3 C18 156.7(3) . . . . ?
O2 P1 C1 C2 164.4(2) . . . . ?
O3 P1 O1 Dy1 90.1(4) . . . . ?
O3 P1 O2 C16 -63.6(3) . . . . ?
O3 P1 C1 C2 54.8(3) . . . . ?
O4 P2 O5 C35 -40.0(5) . . . . ?
O4 P2 O6 C37 46.2(7) . . . . ?
O4 P2 O6 C37A -1.3(11) . . . . ?
O4 P2 C20 C21 -174.0(3) . . . . ?
O5 P2 O4 Dy1 -113.7(3) . . . . ?
O5 P2 O6 C37 -79.0(7) . . . . ?
O5 P2 O6 C37A -126.6(11) . . . . ?
O5 P2 C20 C21 -49.5(3) . . . . ?
O6 P2 O4 Dy1 125.7(3) . . . . ?
O6 P2 O5 C35 83.0(4) . . . . ?
O6 P2 C20 C21 63.3(3) . . . . ?
O7 P3 O8 C54 20.3(3) . . . . ?
O7 P3 O9 C56 61.9(3) . . . . ?
O7 P3 C39 C40 -164.4(2) . . . . ?
O8 P3 O7 Dy1 -96.0(2) . . . . ?
O8 P3 O9 C56 -60.4(3) . . . . ?
O8 P3 C39 C40 -39.1(3) . . . . ?
O9 P3 O7 Dy1 146.0(2) . . . . ?
O9 P3 O8 C54 144.4(3) . . . . ?
O9 P3 C39 C40 71.2(3) . . . . ?
C1 P1 O1 Dy1 -145.9(4) . . . . ?
C1 P1 O2 C16 -176.8(3) . . . . ?
C1 P1 O3 C18 -95.3(3) . . . . ?
C1 C2 C3 C4 -3.6(5) . . . . ?
C1 C2 C3 C8 173.9(3) . . . . ?
C1 C2 C15 C10 -175.9(3) . . . . ?
C1 C2 C15 C14 2.8(5) . . . . ?
C2 C3 C4 C5 175.5(3) . . . . ?
C2 C3 C8 C7 -175.7(3) . . . . ?
C2 C3 C8 C9 3.1(5) . . . . ?
C3 C2 C15 C10 1.4(5) . . . . ?
C3 C2 C15 C14 -179.9(3) . . . . ?
C3 C4 C5 C6 0.4(6) . . . . ?
C3 C8 C9 C10 -0.8(5) . . . . ?
C4 C3 C8 C7 2.0(4) . . . . ?
C4 C3 C8 C9 -179.2(3) . . . . ?
C4 C5 C6 C7 1.3(6) . . . . ?
C5 C6 C7 C8 -1.3(6) . . . . ?
C6 C7 C8 C3 -0.4(5) . . . . ?
C6 C7 C8 C9 -179.2(3) . . . . ?
C7 C8 C9 C10 178.0(3) . . . . ?
C8 C3 C4 C5 -2.0(5) . . . . ?
C8 C9 C10 C11 179.9(3) . . . . ?
C8 C9 C10 C15 -1.3(5) . . . . ?
C9 C10 C11 C12 177.1(4) . . . . ?
C9 C10 C15 C2 1.0(5) . . . . ?
C9 C10 C15 C14 -177.8(3) . . . . ?
C10 C11 C12 C13 0.8(6) . . . . ?
C11 C10 C15 C2 179.8(3) . . . . ?
C11 C10 C15 C14 1.1(5) . . . . ?
C11 C12 C13 C14 0.7(7) . . . . ?
C12 C13 C14 C15 -1.3(6) . . . . ?
C13 C14 C15 C2 -178.3(4) . . . . ?
C13 C14 C15 C10 0.4(5) . . . . ?
C15 C2 C3 C4 179.1(3) . . . . ?
C15 C2 C3 C8 -3.4(4) . . . . ?
C15 C10 C11 C12 -1.7(6) . . . . ?
C20 P2 O4 Dy1 4.6(3) . . . . ?
C20 P2 O5 C35 -163.2(4) . . . . ?
C20 P2 O6 C37 169.9(6) . . . . ?
C20 P2 O6 C37A 122.4(11) . . . . ?
C20 C21 C22 C23 6.2(5) . . . . ?
C20 C21 C22 C27 -172.7(3) . . . . ?
C20 C21 C34 C29 173.3(3) . . . . ?
C20 C21 C34 C33 -5.0(5) . . . . ?
C21 C22 C23 C24 -178.3(4) . . . . ?
C21 C22 C27 C26 177.7(4) . . . . ?
C21 C22 C27 C28 -1.0(6) . . . . ?
C22 C21 C34 C29 -0.9(5) . . . . ?
C22 C21 C34 C33 -179.1(3) . . . . ?
C22 C23 C24 C25 0.5(6) . . . . ?
C22 C27 C28 C29 0.3(6) . . . . ?
C23 C22 C27 C26 -1.3(5) . . . . ?
C23 C22 C27 C28 180.0(3) . . . . ?
C23 C24 C25 C26 -1.1(7) . . . . ?
C24 C25 C26 C27 0.4(7) . . . . ?
C25 C26 C27 C22 0.8(7) . . . . ?
C25 C26 C27 C28 179.4(4) . . . . ?
C26 C27 C28 C29 -178.3(4) . . . . ?
C27 C22 C23 C24 0.7(5) . . . . ?
C27 C28 C29 C30 177.1(4) . . . . ?
C27 C28 C29 C34 0.1(6) . . . . ?
C28 C29 C30 C31 -178.4(4) . . . . ?
C28 C29 C34 C21 0.2(5) . . . . ?
C28 C29 C34 C33 178.6(3) . . . . ?
C29 C30 C31 C32 0.4(6) . . . . ?
C30 C29 C34 C21 -177.0(3) . . . . ?
C30 C29 C34 C33 1.4(5) . . . . ?
C30 C31 C32 C33 0.3(6) . . . . ?
C31 C32 C33 C34 -0.1(6) . . . . ?
C32 C33 C34 C21 177.5(4) . . . . ?
C32 C33 C34 C29 -0.7(5) . . . . ?
C34 C21 C22 C23 -179.8(3) . . . . ?
C34 C21 C22 C27 1.3(5) . . . . ?
C34 C29 C30 C31 -1.3(6) . . . . ?
C39 P3 O7 Dy1 28.0(3) . . . . ?
C39 P3 O8 C54 -106.0(3) . . . . ?
C39 P3 O9 C56 -174.5(2) . . . . ?
C39 C40 C41 C42 -1.8(5) . . . . ?
C39 C40 C41 C46 177.3(3) . . . . ?
C39 C40 C53 C48 -176.6(3) . . . . ?
C39 C40 C53 C52 2.8(5) . . . . ?
C40 C41 C42 C43 177.8(3) . . . . ?
C40 C41 C46 C45 -178.3(3) . . . . ?
C40 C41 C46 C47 0.1(5) . . . . ?
C41 C40 C53 C48 1.3(5) . . . . ?
C41 C40 C53 C52 -179.4(3) . . . . ?
C41 C42 C43 C44 1.1(6) . . . . ?
C41 C46 C47 C48 -0.4(5) . . . . ?
C42 C41 C46 C45 0.7(5) . . . . ?
C42 C41 C46 C47 179.2(3) . . . . ?
C42 C43 C44 C45 -0.5(6) . . . . ?
C43 C44 C45 C46 0.0(6) . . . . ?
C44 C45 C46 C41 -0.2(5) . . . . ?
C44 C45 C46 C47 -178.7(3) . . . . ?
C45 C46 C47 C48 178.0(3) . . . . ?
C46 C41 C42 C43 -1.2(5) . . . . ?
C46 C47 C48 C49 -178.5(3) . . . . ?
C46 C47 C48 C53 1.1(5) . . . . ?
C47 C48 C49 C50 179.9(4) . . . . ?
C47 C48 C53 C40 -1.5(5) . . . . ?
C47 C48 C53 C52 179.0(3) . . . . ?
C48 C49 C50 C51 1.0(6) . . . . ?
C49 C48 C53 C40 178.1(3) . . . . ?
C49 C48 C53 C52 -1.3(5) . . . . ?
C49 C50 C51 C52 -1.3(6) . . . . ?
C50 C51 C52 C53 0.2(6) . . . . ?
C51 C52 C53 C40 -178.3(3) . . . . ?
C51 C52 C53 C48 1.1(5) . . . . ?
C53 C40 C41 C42 -179.6(3) . . . . ?
C53 C40 C41 C46 -0.6(5) . . . . ?
C53 C48 C49 C50 0.3(5) . . . . ?

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

data_1_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2169009'
loop_
_audit_author_name
_audit_author_address
'XiuFang Ma'
;NanJing university
China
;
_audit_update_record             
;
2022-04-27 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2022-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H63 Cl3 Dy O9 P3'
_chemical_formula_sum            'C57 H63 Cl3 Dy O9 P3'
_chemical_formula_weight         1253.83
_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                   10.6882(6)
_cell_length_b                   11.8707(7)
_cell_length_c                   22.7847(15)
_cell_angle_alpha                79.887(2)
_cell_angle_beta                 86.071(2)
_cell_angle_gamma                81.983(2)
_cell_volume                     2815.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9845
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.648
_cell_measurement_theta_min      2.433
_shelx_estimated_absorpt_T_max   0.856
_shelx_estimated_absorpt_T_min   0.627
_exptl_absorpt_coefficient_mu    1.609
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25350
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.690
_diffrn_reflns_theta_min         1.926
_diffrn_ambient_temperature      193.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'CCD Area Detetor'
_diffrn_measurement_method       'φ and ω scans'
_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                11689
_reflns_number_total             12709
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX 3'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.493
_refine_diff_density_min         -3.035
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         12709
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0449
_refine_ls_restrained_S_all      1.046
_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)+(0.0306P)²+10.4915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1148
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C37-C38 = C37'-C38'
 1.5 with sigma of 0.01
 O6-C37 = O6-C37'
 1.45 with sigma of 0.01
 C35-C36 = C35'-C36'
 1.5 with sigma of 0.01
 O5-C35 = O5-C35'
 1.45 with sigma of 0.01
3. Others
 Uiso(C35)=Uiso(C36)=FVAR(1)
 Uiso(C35')=Uiso(C36')=FVAR(2)
 Fixed Sof: C35(0.5) H35A(0.5) H35B(0.5) C36(0.5) H36A(0.5) H36B(0.5)
 H36C(0.5) C35'(0.5) H35C(0.5) H35D(0.5) C36'(0.5) H36D(0.5) H36E(0.5)
 H36F(0.5) C37(0.65) H37A(0.65) H37B(0.65) C38(0.65) H38A(0.65) H38B(0.65)
 H38C(0.65) C37'(0.35) H37C(0.35) H37D(0.35) C38'(0.35) H38D(0.35) H38E(0.35)
 H38F(0.35)
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C16(H16A,H16B), C18(H18A,H18B), C20(H20A,H20B), C35(H35A,H35B),
 C35'(H35C,H35D), C37(H37A,H37B), C37'(H37C,H37D), C39(H39A,H39B), C54(H54A,
 H54B), C56(H56A,H56B)
4.b Me refined with riding coordinates:
 C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C36(H36A,H36B,H36C), C36'(H36D,H36E,
 H36F), C38(H38A,H38B,H38C), C38'(H38D,H38E,H38F), C55(H55A,H55B,H55C),
 C57(H57A,H57B,H57C)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C30(H30), C31(H31),
  C32(H32), C33(H33), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47),
 C49(H49), C50(H50), C51(H51), C52(H52)
;
_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 0.26574(2) 0.33954(2) 0.27652(2) 0.02165(6) Uani 1 1 d . . . . .
P1 P 0.01204(9) 0.18059(9) 0.25379(5) 0.0241(2) Uani 1 1 d . . . . .
P2 P 0.45692(10) 0.21082(9) 0.16397(5) 0.0258(2) Uani 1 1 d . . . . .
P3 P 0.14960(9) 0.51296(9) 0.38778(5) 0.0260(2) Uani 1 1 d . . . . .
Cl1 Cl 0.33906(13) 0.20216(11) 0.37402(5) 0.0456(3) Uani 1 1 d . . . . .
Cl2 Cl 0.15739(10) 0.45459(9) 0.17901(5) 0.0325(2) Uani 1 1 d . . . . .
Cl3 Cl 0.46400(9) 0.44989(9) 0.26457(5) 0.0321(2) Uani 1 1 d . . . . .
O1 O 0.0976(3) 0.2368(3) 0.28484(13) 0.0299(6) Uani 1 1 d . . . . .
O2 O -0.1153(3) 0.2564(3) 0.23682(15) 0.0391(7) Uani 1 1 d . . . . .
O3 O -0.0279(3) 0.0702(3) 0.29466(15) 0.0389(7) Uani 1 1 d . . . . .
O4 O 0.3713(3) 0.2188(2) 0.21785(13) 0.0284(6) Uani 1 1 d . . . . .
O5 O 0.4004(3) 0.1332(3) 0.12631(15) 0.0399(8) Uani 1 1 d D . . . .
O6 O 0.5947(3) 0.1562(3) 0.17824(17) 0.0461(9) Uani 1 1 d D . . . .
O7 O 0.1540(3) 0.4615(3) 0.33240(13) 0.0288(6) Uani 1 1 d . . . . .
O8 O 0.0867(3) 0.4395(3) 0.44225(14) 0.0419(8) Uani 1 1 d . . . . .
O9 O 0.0755(3) 0.6373(3) 0.37949(17) 0.0421(8) Uani 1 1 d . . . . .
C1 C 0.0784(4) 0.1452(3) 0.18351(19) 0.0286(8) Uani 1 1 d . . . . .
H1A H 0.030585 0.196356 0.151211 0.034 Uiso 1 1 calc R . . . .
H1B H 0.166608 0.163297 0.178831 0.034 Uiso 1 1 calc R . . . .
C2 C 0.0798(4) 0.0214(3) 0.1744(2) 0.0289(8) Uani 1 1 d . . . . .
C3 C 0.1690(4) -0.0645(4) 0.20423(19) 0.0283(8) Uani 1 1 d . . . . .
C4 C 0.2578(4) -0.0414(4) 0.2436(2) 0.0322(9) Uani 1 1 d . . . . .
H4 H 0.255817 0.035160 0.251101 0.039 Uiso 1 1 calc R . . . .
C5 C 0.3445(5) -0.1255(4) 0.2705(2) 0.0394(10) Uani 1 1 d . . . . .
H5 H 0.401562 -0.107093 0.296513 0.047 Uiso 1 1 calc R . . . .
C6 C 0.3511(5) -0.2406(4) 0.2605(2) 0.0410(11) Uani 1 1 d . . . . .
H6 H 0.413294 -0.298644 0.278972 0.049 Uiso 1 1 calc R . . . .
C7 C 0.2686(5) -0.2675(4) 0.2243(2) 0.0385(10) Uani 1 1 d . . . . .
H7 H 0.272407 -0.345119 0.218234 0.046 Uiso 1 1 calc R . . . .
C8 C 0.1764(4) -0.1821(4) 0.1954(2) 0.0326(9) Uani 1 1 d . . . . .
C9 C 0.0918(5) -0.2089(4) 0.1574(3) 0.0420(11) Uani 1 1 d . . . . .
H9 H 0.094107 -0.286742 0.152103 0.050 Uiso 1 1 calc R . . . .
C10 C 0.0052(5) -0.1255(4) 0.1275(3) 0.0446(12) Uani 1 1 d . . . . .
C11 C -0.0777(6) -0.1544(5) 0.0880(4) 0.069(2) Uani 1 1 d . . . . .
H11 H -0.075516 -0.232740 0.083584 0.083 Uiso 1 1 calc R . . . .
C12 C -0.1594(7) -0.0732(6) 0.0568(4) 0.081(2) Uani 1 1 d . . . . .
H12 H -0.212220 -0.094683 0.029866 0.097 Uiso 1 1 calc R . . . .
C13 C -0.1676(6) 0.0448(5) 0.0636(3) 0.0615(17) Uani 1 1 d . . . . .
H13 H -0.225167 0.101784 0.041195 0.074 Uiso 1 1 calc R . . . .
C14 C -0.0924(5) 0.0752(4) 0.1023(3) 0.0442(12) Uani 1 1 d . . . . .
H14 H -0.100366 0.153588 0.107453 0.053 Uiso 1 1 calc R . . . .
C15 C -0.0019(4) -0.0068(4) 0.1356(2) 0.0341(9) Uani 1 1 d . . . . .
C16 C -0.1902(5) 0.3204(5) 0.2793(3) 0.0531(14) Uani 1 1 d . . . . .
H16A H -0.163141 0.288979 0.320262 0.064 Uiso 1 1 calc R . . . .
H16B H -0.280767 0.312101 0.277689 0.064 Uiso 1 1 calc R . . . .
C17 C -0.1724(6) 0.4441(6) 0.2640(4) 0.068(2) Uani 1 1 d . . . . .
H17A H -0.222505 0.487228 0.292435 0.102 Uiso 1 1 calc R . . . .
H17B H -0.082720 0.451898 0.266015 0.102 Uiso 1 1 calc R . . . .
H17C H -0.200045 0.474960 0.223551 0.102 Uiso 1 1 calc R . . . .
C18 C 0.0299(6) 0.0175(5) 0.3508(3) 0.0569(15) Uani 1 1 d . . . . .
H18A H 0.090564 0.066355 0.360790 0.068 Uiso 1 1 calc R . . . .
H18B H 0.076262 -0.059390 0.347233 0.068 Uiso 1 1 calc R . . . .
C19 C -0.0728(9) 0.0061(9) 0.3986(4) 0.105(3) Uani 1 1 d . . . . .
H19A H -0.035811 -0.029205 0.436705 0.158 Uiso 1 1 calc R . . . .
H19B H -0.117902 0.082602 0.401903 0.158 Uiso 1 1 calc R . . . .
H19C H -0.132155 -0.042707 0.388393 0.158 Uiso 1 1 calc R . . . .
C20 C 0.4700(4) 0.3495(3) 0.12077(18) 0.0262(8) Uani 1 1 d . . . . .
H20A H 0.383578 0.389931 0.113649 0.031 Uiso 1 1 calc R . . . .
H20B H 0.511493 0.394138 0.144889 0.031 Uiso 1 1 calc R . . . .
C21 C 0.5421(4) 0.3522(3) 0.06104(18) 0.0259(8) Uani 1 1 d . . . . .
C22 C 0.6723(4) 0.3628(3) 0.05636(19) 0.0279(8) Uani 1 1 d . . . . .
C23 C 0.7433(4) 0.3734(4) 0.1056(2) 0.0320(9) Uani 1 1 d . . . . .
H23 H 0.702728 0.369642 0.144173 0.038 Uiso 1 1 calc R . . . .
C24 C 0.8678(5) 0.3886(4) 0.0986(2) 0.0388(10) Uani 1 1 d . . . . .
H24 H 0.912195 0.397027 0.131924 0.047 Uiso 1 1 calc R . . . .
C25 C 0.9313(5) 0.3919(4) 0.0417(3) 0.0449(12) Uani 1 1 d . . . . .
H25 H 1.018477 0.401439 0.037351 0.054 Uiso 1 1 calc R . . . .
C26 C 0.8688(5) 0.3817(5) -0.0063(3) 0.0446(12) Uani 1 1 d . . . . .
H26 H 0.913159 0.383219 -0.043980 0.054 Uiso 1 1 calc R . . . .
C27 C 0.7371(4) 0.3686(4) -0.0017(2) 0.0332(9) Uani 1 1 d . . . . .
C28 C 0.6718(5) 0.3621(4) -0.0513(2) 0.0393(11) Uani 1 1 d . . . . .
H28 H 0.716075 0.364508 -0.089058 0.047 Uiso 1 1 calc R . . . .
C29 C 0.5434(5) 0.3521(4) -0.0472(2) 0.0340(9) Uani 1 1 d . . . . .
C30 C 0.4773(6) 0.3472(4) -0.0984(2) 0.0441(12) Uani 1 1 d . . . . .
H30 H 0.522002 0.349563 -0.136053 0.053 Uiso 1 1 calc R . . . .
C31 C 0.3515(6) 0.3390(5) -0.0947(3) 0.0507(13) Uani 1 1 d . . . . .
H31 H 0.308720 0.335666 -0.129462 0.061 Uiso 1 1 calc R . . . .
C32 C 0.2843(5) 0.3356(4) -0.0389(3) 0.0438(11) Uani 1 1 d . . . . .
H32 H 0.196190 0.330256 -0.036513 0.053 Uiso 1 1 calc R . . . .
C33 C 0.3436(4) 0.3399(4) 0.0113(2) 0.0358(10) Uani 1 1 d . . . . .
H33 H 0.295910 0.338054 0.048082 0.043 Uiso 1 1 calc R . . . .
C34 C 0.4766(4) 0.3471(3) 0.01003(19) 0.0298(9) Uani 1 1 d . . . . .
C35 C 0.4865(10) 0.0624(8) 0.0904(5) 0.0444(18) Uiso 0.5 1 d D . P A 1
H35A H 0.570504 0.043354 0.108088 0.053 Uiso 0.5 1 calc R . P A 1
H35B H 0.497096 0.104618 0.049275 0.053 Uiso 0.5 1 calc R . P A 1
C36 C 0.4297(11) -0.0448(9) 0.0899(5) 0.0444(18) Uiso 0.5 1 d D . P A 1
H36A H 0.485126 -0.094424 0.066149 0.067 Uiso 0.5 1 calc R . P A 1
H36B H 0.419822 -0.085858 0.130827 0.067 Uiso 0.5 1 calc R . P A 1
H36C H 0.346724 -0.024853 0.072262 0.067 Uiso 0.5 1 calc R . P A 1
C35' C 0.4520(11) 0.0727(9) 0.0786(5) 0.0473(19) Uiso 0.5 1 d D . P A 2
H35C H 0.542248 0.043624 0.085068 0.057 Uiso 0.5 1 calc R . P A 2
H35D H 0.446910 0.126664 0.040121 0.057 Uiso 0.5 1 calc R . P A 2
C36' C 0.3816(11) -0.0260(9) 0.0756(6) 0.0473(19) Uiso 0.5 1 d D . P A 2
H36D H 0.418289 -0.065664 0.042942 0.071 Uiso 0.5 1 calc R . P A 2
H36E H 0.387781 -0.080105 0.113413 0.071 Uiso 0.5 1 calc R . P A 2
H36F H 0.292556 0.002836 0.068519 0.071 Uiso 0.5 1 calc R . P A 2
C37 C 0.6262(10) 0.0463(8) 0.2172(5) 0.074(4) Uani 0.65 1 d D . P B 1
H37A H 0.708153 0.008763 0.202514 0.089 Uiso 0.65 1 calc R . P B 1
H37B H 0.561327 -0.003800 0.213761 0.089 Uiso 0.65 1 calc R . P B 1
C38 C 0.6355(12) 0.0523(11) 0.2808(5) 0.081(3) Uani 0.65 1 d D . P B 1
H38A H 0.656962 -0.025730 0.303174 0.121 Uiso 0.65 1 calc R . P B 1
H38B H 0.701376 0.099545 0.285174 0.121 Uiso 0.65 1 calc R . P B 1
H38C H 0.554156 0.086947 0.296450 0.121 Uiso 0.65 1 calc R . P B 1
C37' C 0.641(2) 0.0985(16) 0.2349(6) 0.073(6) Uiso 0.35 1 d D . P B 2
H37C H 0.574710 0.106477 0.266933 0.088 Uiso 0.35 1 calc R . P B 2
H37D H 0.715430 0.132153 0.244450 0.088 Uiso 0.35 1 calc R . P B 2
C38' C 0.678(2) -0.0266(18) 0.2297(12) 0.085(6) Uiso 0.35 1 d D . P B 2
H38D H 0.709914 -0.069317 0.267631 0.127 Uiso 0.35 1 calc R . P B 2
H38E H 0.603242 -0.058800 0.220279 0.127 Uiso 0.35 1 calc R . P B 2
H38F H 0.743312 -0.033243 0.197900 0.127 Uiso 0.35 1 calc R . P B 2
C39 C 0.3033(4) 0.5273(4) 0.40887(18) 0.0275(8) Uani 1 1 d . . . . .
H39A H 0.358321 0.454151 0.405676 0.033 Uiso 1 1 calc R . . . .
H39B H 0.336722 0.588277 0.378995 0.033 Uiso 1 1 calc R . . . .
C40 C 0.3182(4) 0.5558(4) 0.47034(18) 0.0267(8) Uani 1 1 d . . . . .
C41 C 0.3396(4) 0.4655(4) 0.51892(18) 0.0270(8) Uani 1 1 d . . . . .
C42 C 0.3396(4) 0.3463(4) 0.5150(2) 0.0326(9) Uani 1 1 d . . . . .
H42 H 0.322827 0.326021 0.478046 0.039 Uiso 1 1 calc R . . . .
C43 C 0.3631(4) 0.2618(4) 0.5629(2) 0.0395(10) Uani 1 1 d . . . . .
H43 H 0.362374 0.183605 0.558888 0.047 Uiso 1 1 calc R . . . .
C44 C 0.3886(4) 0.2884(5) 0.6189(2) 0.0419(11) Uani 1 1 d . . . . .
H44 H 0.404143 0.228409 0.652135 0.050 Uiso 1 1 calc R . . . .
C45 C 0.3907(4) 0.3997(4) 0.6248(2) 0.0359(10) Uani 1 1 d . . . . .
H45 H 0.408415 0.417060 0.662254 0.043 Uiso 1 1 calc R . . . .
C46 C 0.3667(4) 0.4913(4) 0.57577(18) 0.0299(9) Uani 1 1 d . . . . .
C47 C 0.3726(4) 0.6053(4) 0.58169(19) 0.0322(9) Uani 1 1 d . . . . .
H47 H 0.392252 0.621750 0.619076 0.039 Uiso 1 1 calc R . . . .
C48 C 0.3505(4) 0.6953(4) 0.5342(2) 0.0309(9) Uani 1 1 d . . . . .
C49 C 0.3602(4) 0.8124(4) 0.5399(2) 0.0408(11) Uani 1 1 d . . . . .
H49 H 0.380945 0.828697 0.577109 0.049 Uiso 1 1 calc R . . . .
C50 C 0.3407(5) 0.8993(5) 0.4936(3) 0.0474(12) Uani 1 1 d . . . . .
H50 H 0.349136 0.975817 0.498268 0.057 Uiso 1 1 calc R . . . .
C51 C 0.3077(5) 0.8770(4) 0.4380(3) 0.0432(11) Uani 1 1 d . . . . .
H51 H 0.292480 0.939217 0.405772 0.052 Uiso 1 1 calc R . . . .
C52 C 0.2974(4) 0.7676(4) 0.4301(2) 0.0355(9) Uani 1 1 d . . . . .
H52 H 0.274673 0.754898 0.392429 0.043 Uiso 1 1 calc R . . . .
C53 C 0.3202(4) 0.6717(4) 0.47728(18) 0.0279(8) Uani 1 1 d . . . . .
C54 C -0.0070(5) 0.3628(6) 0.4379(3) 0.0562(15) Uani 1 1 d . . . . .
H54A H -0.004883 0.346538 0.396703 0.067 Uiso 1 1 calc R . . . .
H54B H -0.092632 0.400778 0.447378 0.067 Uiso 1 1 calc R . . . .
C55 C 0.0203(7) 0.2546(6) 0.4796(3) 0.0684(18) Uani 1 1 d . . . . .
H55A H -0.042842 0.203727 0.476474 0.103 Uiso 1 1 calc R . . . .
H55B H 0.104706 0.216776 0.469860 0.103 Uiso 1 1 calc R . . . .
H55C H 0.017137 0.270905 0.520432 0.103 Uiso 1 1 calc R . . . .
C56 C -0.0550(6) 0.6597(6) 0.3606(3) 0.0618(16) Uani 1 1 d . . . . .
H56A H -0.088147 0.585409 0.361948 0.074 Uiso 1 1 calc R . . . .
H56B H -0.108174 0.703186 0.388586 0.074 Uiso 1 1 calc R . . . .
C57 C -0.0629(7) 0.7225(10) 0.3031(4) 0.109(4) Uani 1 1 d . . . . .
H57A H -0.151176 0.736131 0.291708 0.163 Uiso 1 1 calc R . . . .
H57B H -0.031483 0.796670 0.301819 0.163 Uiso 1 1 calc R . . . .
H57C H -0.011474 0.678996 0.275205 0.163 Uiso 1 1 calc R . . . .


_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 2.6111(12) . ?
Dy1 Cl2 2.6436(11) . ?
Dy1 Cl3 2.6173(9) . ?
Dy1 O1 2.288(3) . ?
Dy1 O4 2.265(3) . ?
Dy1 O7 2.258(3) . ?
P1 O1 1.486(3) . ?
P1 O2 1.556(3) . ?
P1 O3 1.562(3) . ?
P1 C1 1.801(4) . ?
P2 O4 1.489(3) . ?
P2 O5 1.566(3) . ?
P2 O6 1.556(4) . ?
P2 C20 1.782(4) . ?
P3 O7 1.491(3) . ?
P3 O8 1.556(3) . ?
P3 O9 1.561(4) . ?
P3 C39 1.782(4) . ?
O2 C16 1.461(5) . ?
O3 C18 1.459(7) . ?
O5 C35 1.464(8) . ?
O5 C35' 1.445(8) . ?
O6 C37 1.454(7) . ?
O6 C37' 1.437(10) . ?
O8 C54 1.463(6) . ?
O9 C56 1.463(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.518(5) . ?
C2 C3 1.408(6) . ?
C2 C15 1.395(6) . ?
C3 C4 1.435(6) . ?
C3 C8 1.436(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.355(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.416(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.352(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.418(7) . ?
C8 C9 1.397(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.377(8) . ?
C10 C11 1.419(8) . ?
C10 C15 1.444(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.344(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.427(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.357(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.427(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.485(9) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.495(9) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.515(5) . ?
C21 C22 1.409(6) . ?
C21 C34 1.412(6) . ?
C22 C23 1.429(6) . ?
C22 C27 1.446(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.362(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.417(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.353(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.432(6) . ?
C27 C28 1.388(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.390(7) . ?
C29 C30 1.418(7) . ?
C29 C34 1.439(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.358(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.414(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.356(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.434(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.487(8) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C35' H35C 0.9900 . ?
C35' H35D 0.9900 . ?
C35' C36' 1.491(9) . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.475(9) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C37' H37C 0.9900 . ?
C37' H37D 0.9900 . ?
C37' C38' 1.505(10) . ?
C38' H38D 0.9800 . ?
C38' H38E 0.9800 . ?
C38' H38F 0.9800 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.520(5) . ?
C40 C41 1.406(6) . ?
C40 C53 1.416(6) . ?
C41 C42 1.433(6) . ?
C41 C46 1.439(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.358(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.420(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.355(7) . ?
C45 H45 0.9500 . ?
C45 C46 1.424(7) . ?
C46 C47 1.393(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.388(7) . ?
C48 C49 1.436(6) . ?
C48 C53 1.441(6) . ?
C49 H49 0.9500 . ?
C49 C50 1.344(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.417(8) . ?
C51 H51 0.9500 . ?
C51 C52 1.362(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.429(7) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.463(9) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.391(11) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?

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 169.36(4) . . ?
Cl1 Dy1 Cl3 94.39(4) . . ?
Cl3 Dy1 Cl2 96.18(3) . . ?
O1 Dy1 Cl1 85.35(9) . . ?
O1 Dy1 Cl2 84.03(8) . . ?
O1 Dy1 Cl3 177.40(8) . . ?
O4 Dy1 Cl1 92.30(8) . . ?
O4 Dy1 Cl2 86.89(8) . . ?
O4 Dy1 Cl3 88.00(7) . . ?
O4 Dy1 O1 89.42(10) . . ?
O7 Dy1 Cl1 89.54(8) . . ?
O7 Dy1 Cl2 91.04(8) . . ?
O7 Dy1 Cl3 93.29(7) . . ?
O7 Dy1 O1 89.30(10) . . ?
O7 Dy1 O4 177.67(11) . . ?
O1 P1 O2 114.37(18) . . ?
O1 P1 O3 110.95(19) . . ?
O1 P1 C1 113.27(18) . . ?
O2 P1 O3 104.35(19) . . ?
O2 P1 C1 103.4(2) . . ?
O3 P1 C1 109.87(18) . . ?
O4 P2 O5 107.18(17) . . ?
O4 P2 O6 113.9(2) . . ?
O4 P2 C20 111.61(17) . . ?
O5 P2 C20 110.3(2) . . ?
O6 P2 O5 108.2(2) . . ?
O6 P2 C20 105.60(19) . . ?
O7 P3 O8 112.60(18) . . ?
O7 P3 O9 111.75(19) . . ?
O7 P3 C39 112.15(17) . . ?
O8 P3 O9 107.7(2) . . ?
O8 P3 C39 106.6(2) . . ?
O9 P3 C39 105.60(19) . . ?
P1 O1 Dy1 147.01(18) . . ?
C16 O2 P1 121.5(4) . . ?
C18 O3 P1 124.0(3) . . ?
P2 O4 Dy1 145.07(17) . . ?
C35 O5 P2 119.0(5) . . ?
C35' O5 P2 133.2(5) . . ?
C37 O6 P2 123.7(5) . . ?
C37' O6 P2 127.6(10) . . ?
P3 O7 Dy1 145.87(19) . . ?
C54 O8 P3 124.5(3) . . ?
C56 O9 P3 121.2(3) . . ?
P1 C1 H1A 108.1 . . ?
P1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C2 C1 P1 116.7(3) . . ?
C2 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
C3 C2 C1 118.6(4) . . ?
C15 C2 C1 121.1(4) . . ?
C15 C2 C3 120.3(4) . . ?
C2 C3 C4 123.4(4) . . ?
C2 C3 C8 120.5(4) . . ?
C4 C3 C8 116.1(4) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 C3 121.9(4) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.9(5) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.7(5) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 H7 119.4 . . ?
C6 C7 C8 121.2(4) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C3 120.2(4) . . ?
C9 C8 C3 118.3(4) . . ?
C9 C8 C7 121.5(4) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 C8 121.8(4) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 C11 120.8(4) . . ?
C9 C10 C15 120.2(4) . . ?
C11 C10 C15 119.0(5) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 C10 121.4(5) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.7(6) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.5(6) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 118.9 . . ?
C13 C14 C15 122.2(5) . . ?
C15 C14 H14 118.9 . . ?
C2 C15 C10 118.9(4) . . ?
C2 C15 C14 124.0(4) . . ?
C14 C15 C10 117.1(4) . . ?
O2 C16 H16A 109.8 . . ?
O2 C16 H16B 109.8 . . ?
O2 C16 C17 109.3(5) . . ?
H16A C16 H16B 108.3 . . ?
C17 C16 H16A 109.8 . . ?
C17 C16 H16B 109.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 H18A 110.1 . . ?
O3 C18 H18B 110.1 . . ?
O3 C18 C19 108.2(6) . . ?
H18A C18 H18B 108.4 . . ?
C19 C18 H18A 110.1 . . ?
C19 C18 H18B 110.1 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P2 C20 H20A 108.1 . . ?
P2 C20 H20B 108.1 . . ?
H20A C20 H20B 107.3 . . ?
C21 C20 P2 116.7(3) . . ?
C21 C20 H20A 108.1 . . ?
C21 C20 H20B 108.1 . . ?
C22 C21 C20 120.2(4) . . ?
C22 C21 C34 120.6(4) . . ?
C34 C21 C20 119.2(4) . . ?
C21 C22 C23 123.6(4) . . ?
C21 C22 C27 118.7(4) . . ?
C23 C22 C27 117.7(4) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 C22 121.6(4) . . ?
C24 C23 H23 119.2 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.3(5) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(4) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 119.3 . . ?
C25 C26 C27 121.5(4) . . ?
C27 C26 H26 119.3 . . ?
C26 C27 C22 118.4(4) . . ?
C28 C27 C22 120.2(4) . . ?
C28 C27 C26 121.5(4) . . ?
C27 C28 H28 119.2 . . ?
C27 C28 C29 121.6(4) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 C30 121.1(4) . . ?
C28 C29 C34 119.2(4) . . ?
C30 C29 C34 119.7(4) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 C29 121.3(5) . . ?
C31 C30 H30 119.4 . . ?
C30 C31 H31 120.2 . . ?
C30 C31 C32 119.7(5) . . ?
C32 C31 H31 120.2 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 121.1(5) . . ?
C33 C32 H32 119.5 . . ?
C32 C33 H33 119.2 . . ?
C32 C33 C34 121.6(4) . . ?
C34 C33 H33 119.2 . . ?
C21 C34 C29 119.8(4) . . ?
C21 C34 C33 123.5(4) . . ?
C33 C34 C29 116.7(4) . . ?
O5 C35 H35A 110.3 . . ?
O5 C35 H35B 110.3 . . ?
O5 C35 C36 107.3(7) . . ?
H35A C35 H35B 108.5 . . ?
C36 C35 H35A 110.3 . . ?
C36 C35 H35B 110.3 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O5 C35' H35C 109.4 . . ?
O5 C35' H35D 109.4 . . ?
O5 C35' C36' 111.0(8) . . ?
H35C C35' H35D 108.0 . . ?
C36' C35' H35C 109.4 . . ?
C36' C35' H35D 109.4 . . ?
C35' C36' H36D 109.5 . . ?
C35' C36' H36E 109.5 . . ?
C35' C36' H36F 109.5 . . ?
H36D C36' H36E 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
O6 C37 H37A 108.3 . . ?
O6 C37 H37B 108.3 . . ?
O6 C37 C38 115.7(9) . . ?
H37A C37 H37B 107.4 . . ?
C38 C37 H37A 108.3 . . ?
C38 C37 H37B 108.3 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O6 C37' H37C 110.4 . . ?
O6 C37' H37D 110.4 . . ?
O6 C37' C38' 106.8(16) . . ?
H37C C37' H37D 108.6 . . ?
C38' C37' H37C 110.4 . . ?
C38' C37' H37D 110.4 . . ?
C37' C38' H38D 109.5 . . ?
C37' C38' H38E 109.5 . . ?
C37' C38' H38F 109.5 . . ?
H38D C38' H38E 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 109.5 . . ?
P3 C39 H39A 107.6 . . ?
P3 C39 H39B 107.6 . . ?
H39A C39 H39B 107.0 . . ?
C40 C39 P3 118.9(3) . . ?
C40 C39 H39A 107.6 . . ?
C40 C39 H39B 107.6 . . ?
C41 C40 C39 119.4(4) . . ?
C41 C40 C53 120.6(4) . . ?
C53 C40 C39 119.9(4) . . ?
C40 C41 C42 123.5(4) . . ?
C40 C41 C46 119.5(4) . . ?
C42 C41 C46 117.0(4) . . ?
C41 C42 H42 119.3 . . ?
C43 C42 C41 121.4(4) . . ?
C43 C42 H42 119.3 . . ?
C42 C43 H43 119.4 . . ?
C42 C43 C44 121.1(5) . . ?
C44 C43 H43 119.4 . . ?
C43 C44 H44 120.2 . . ?
C45 C44 C43 119.7(5) . . ?
C45 C44 H44 120.2 . . ?
C44 C45 H45 119.4 . . ?
C44 C45 C46 121.2(4) . . ?
C46 C45 H45 119.4 . . ?
C45 C46 C41 119.6(4) . . ?
C47 C46 C41 119.5(4) . . ?
C47 C46 C45 120.9(4) . . ?
C46 C47 H47 119.2 . . ?
C48 C47 C46 121.5(4) . . ?
C48 C47 H47 119.2 . . ?
C47 C48 C49 121.5(4) . . ?
C47 C48 C53 119.9(4) . . ?
C49 C48 C53 118.7(4) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 C48 121.5(5) . . ?
C50 C49 H49 119.3 . . ?
C49 C50 H50 119.9 . . ?
C49 C50 C51 120.2(5) . . ?
C51 C50 H50 119.9 . . ?
C50 C51 H51 119.6 . . ?
C52 C51 C50 120.8(5) . . ?
C52 C51 H51 119.6 . . ?
C51 C52 H52 119.3 . . ?
C51 C52 C53 121.3(4) . . ?
C53 C52 H52 119.3 . . ?
C40 C53 C48 119.0(4) . . ?
C40 C53 C52 123.5(4) . . ?
C52 C53 C48 117.5(4) . . ?
O8 C54 H54A 109.7 . . ?
O8 C54 H54B 109.7 . . ?
O8 C54 C55 109.9(5) . . ?
H54A C54 H54B 108.2 . . ?
C55 C54 H54A 109.7 . . ?
C55 C54 H54B 109.7 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O9 C56 H56A 109.4 . . ?
O9 C56 H56B 109.4 . . ?
H56A C56 H56B 108.0 . . ?
C57 C56 O9 111.4(6) . . ?
C57 C56 H56A 109.4 . . ?
C57 C56 H56B 109.4 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 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 O2 C16 C17 102.9(6) . . . . ?
P1 O3 C18 C19 126.2(6) . . . . ?
P1 C1 C2 C3 -74.8(4) . . . . ?
P1 C1 C2 C15 107.7(4) . . . . ?
P2 O5 C35 C36 146.9(7) . . . . ?
P2 O5 C35' C36' 155.7(7) . . . . ?
P2 O6 C37 C38 -90.4(11) . . . . ?
P2 O6 C37' C38' 112.1(16) . . . . ?
P2 C20 C21 C22 -93.3(4) . . . . ?
P2 C20 C21 C34 88.3(4) . . . . ?
P3 O8 C54 C55 137.7(5) . . . . ?
P3 O9 C56 C57 -110.8(7) . . . . ?
P3 C39 C40 C41 89.0(4) . . . . ?
P3 C39 C40 C53 -95.9(4) . . . . ?
O1 P1 O2 C16 -45.7(4) . . . . ?
O1 P1 O3 C18 -10.9(4) . . . . ?
O1 P1 C1 C2 127.2(3) . . . . ?
O2 P1 O1 Dy1 -96.2(4) . . . . ?
O2 P1 O3 C18 -134.5(4) . . . . ?
O2 P1 C1 C2 -108.4(4) . . . . ?
O3 P1 O1 Dy1 146.1(3) . . . . ?
O3 P1 O2 C16 75.7(4) . . . . ?
O3 P1 C1 C2 2.5(4) . . . . ?
O4 P2 O5 C35 -148.9(6) . . . . ?
O4 P2 O5 C35' -163.2(8) . . . . ?
O4 P2 O6 C37 51.8(7) . . . . ?
O4 P2 O6 C37' 10.4(11) . . . . ?
O4 P2 C20 C21 -173.0(3) . . . . ?
O5 P2 O4 Dy1 -133.0(3) . . . . ?
O5 P2 O6 C37 -67.3(7) . . . . ?
O5 P2 O6 C37' -108.6(11) . . . . ?
O5 P2 C20 C21 -54.0(4) . . . . ?
O6 P2 O4 Dy1 107.4(4) . . . . ?
O6 P2 O5 C35 -25.7(6) . . . . ?
O6 P2 O5 C35' -40.0(8) . . . . ?
O6 P2 C20 C21 62.7(4) . . . . ?
O7 P3 O8 C54 -26.6(5) . . . . ?
O7 P3 O9 C56 56.4(5) . . . . ?
O7 P3 C39 C40 -168.0(3) . . . . ?
O8 P3 O7 Dy1 -89.1(3) . . . . ?
O8 P3 O9 C56 -67.8(5) . . . . ?
O8 P3 C39 C40 -44.4(4) . . . . ?
O9 P3 O7 Dy1 149.5(3) . . . . ?
O9 P3 O8 C54 97.1(5) . . . . ?
O9 P3 C39 C40 70.0(4) . . . . ?
C1 P1 O1 Dy1 22.0(4) . . . . ?
C1 P1 O2 C16 -169.4(4) . . . . ?
C1 P1 O3 C18 115.1(4) . . . . ?
C1 C2 C3 C4 1.0(6) . . . . ?
C1 C2 C3 C8 -177.9(4) . . . . ?
C1 C2 C15 C10 178.5(4) . . . . ?
C1 C2 C15 C14 -0.7(7) . . . . ?
C2 C3 C4 C5 -178.4(4) . . . . ?
C2 C3 C8 C7 178.4(4) . . . . ?
C2 C3 C8 C9 -1.0(6) . . . . ?
C3 C2 C15 C10 1.1(6) . . . . ?
C3 C2 C15 C14 -178.1(4) . . . . ?
C3 C4 C5 C6 0.3(7) . . . . ?
C3 C8 C9 C10 1.8(7) . . . . ?
C4 C3 C8 C7 -0.6(6) . . . . ?
C4 C3 C8 C9 180.0(4) . . . . ?
C4 C5 C6 C7 -1.2(7) . . . . ?
C5 C6 C7 C8 1.1(7) . . . . ?
C6 C7 C8 C3 -0.2(7) . . . . ?
C6 C7 C8 C9 179.2(5) . . . . ?
C7 C8 C9 C10 -177.6(5) . . . . ?
C8 C3 C4 C5 0.6(6) . . . . ?
C8 C9 C10 C11 178.5(6) . . . . ?
C8 C9 C10 C15 -1.2(8) . . . . ?
C9 C10 C11 C12 -177.4(7) . . . . ?
C9 C10 C15 C2 -0.3(7) . . . . ?
C9 C10 C15 C14 178.9(5) . . . . ?
C10 C11 C12 C13 -1.7(13) . . . . ?
C11 C10 C15 C2 -180.0(5) . . . . ?
C11 C10 C15 C14 -0.7(8) . . . . ?
C11 C12 C13 C14 -0.4(12) . . . . ?
C12 C13 C14 C15 1.9(10) . . . . ?
C13 C14 C15 C2 177.9(5) . . . . ?
C13 C14 C15 C10 -1.3(8) . . . . ?
C15 C2 C3 C4 178.5(4) . . . . ?
C15 C2 C3 C8 -0.4(6) . . . . ?
C15 C10 C11 C12 2.2(11) . . . . ?
C20 P2 O4 Dy1 -12.1(4) . . . . ?
C20 P2 O5 C35 89.4(6) . . . . ?
C20 P2 O5 C35' 75.1(8) . . . . ?
C20 P2 O6 C37 174.6(7) . . . . ?
C20 P2 O6 C37' 133.2(11) . . . . ?
C20 C21 C22 C23 -1.1(6) . . . . ?
C20 C21 C22 C27 -178.2(4) . . . . ?
C20 C21 C34 C29 178.6(4) . . . . ?
C20 C21 C34 C33 0.3(6) . . . . ?
C21 C22 C23 C24 -177.0(4) . . . . ?
C21 C22 C27 C26 178.7(4) . . . . ?
C21 C22 C27 C28 -0.9(6) . . . . ?
C22 C21 C34 C29 0.3(6) . . . . ?
C22 C21 C34 C33 -178.0(4) . . . . ?
C22 C23 C24 C25 -1.4(7) . . . . ?
C22 C27 C28 C29 1.2(7) . . . . ?
C23 C22 C27 C26 1.5(6) . . . . ?
C23 C22 C27 C28 -178.2(4) . . . . ?
C23 C24 C25 C26 0.9(7) . . . . ?
C24 C25 C26 C27 0.7(8) . . . . ?
C25 C26 C27 C22 -1.9(7) . . . . ?
C25 C26 C27 C28 177.7(5) . . . . ?
C26 C27 C28 C29 -178.4(4) . . . . ?
C27 C22 C23 C24 0.1(6) . . . . ?
C27 C28 C29 C30 179.1(4) . . . . ?
C27 C28 C29 C34 -0.7(7) . . . . ?
C28 C29 C30 C31 -179.1(5) . . . . ?
C28 C29 C34 C21 0.0(6) . . . . ?
C28 C29 C34 C33 178.4(4) . . . . ?
C29 C30 C31 C32 0.1(8) . . . . ?
C30 C29 C34 C21 -179.9(4) . . . . ?
C30 C29 C34 C33 -1.4(6) . . . . ?
C30 C31 C32 C33 -0.3(8) . . . . ?
C31 C32 C33 C34 -0.5(7) . . . . ?
C32 C33 C34 C21 179.7(4) . . . . ?
C32 C33 C34 C29 1.3(6) . . . . ?
C34 C21 C22 C23 177.3(4) . . . . ?
C34 C21 C22 C27 0.2(6) . . . . ?
C34 C29 C30 C31 0.8(7) . . . . ?
C39 P3 O7 Dy1 31.1(4) . . . . ?
C39 P3 O8 C54 -150.0(4) . . . . ?
C39 P3 O9 C56 178.6(4) . . . . ?
C39 C40 C41 C42 -4.6(6) . . . . ?
C39 C40 C41 C46 173.6(3) . . . . ?
C39 C40 C53 C48 -172.2(3) . . . . ?
C39 C40 C53 C52 5.9(6) . . . . ?
C40 C41 C42 C43 178.8(4) . . . . ?
C40 C41 C46 C45 -178.9(4) . . . . ?
C40 C41 C46 C47 -0.7(6) . . . . ?
C41 C40 C53 C48 2.9(5) . . . . ?
C41 C40 C53 C52 -179.1(4) . . . . ?
C41 C42 C43 C44 0.0(7) . . . . ?
C41 C46 C47 C48 1.3(6) . . . . ?
C42 C41 C46 C45 -0.6(5) . . . . ?
C42 C41 C46 C47 177.7(4) . . . . ?
C42 C43 C44 C45 -0.5(7) . . . . ?
C43 C44 C45 C46 0.5(7) . . . . ?
C44 C45 C46 C41 0.1(6) . . . . ?
C44 C45 C46 C47 -178.1(4) . . . . ?
C45 C46 C47 C48 179.5(4) . . . . ?
C46 C41 C42 C43 0.5(6) . . . . ?
C46 C47 C48 C49 -178.1(4) . . . . ?
C46 C47 C48 C53 0.2(6) . . . . ?
C47 C48 C49 C50 178.9(5) . . . . ?
C47 C48 C53 C40 -2.3(6) . . . . ?
C47 C48 C53 C52 179.6(4) . . . . ?
C48 C49 C50 C51 1.1(8) . . . . ?
C49 C48 C53 C40 176.1(4) . . . . ?
C49 C48 C53 C52 -2.1(6) . . . . ?
C49 C50 C51 C52 -1.2(8) . . . . ?
C50 C51 C52 C53 -0.4(7) . . . . ?
C51 C52 C53 C40 -176.1(4) . . . . ?
C51 C52 C53 C48 2.0(6) . . . . ?
C53 C40 C41 C42 -179.7(4) . . . . ?
C53 C40 C41 C46 -1.4(6) . . . . ?
C53 C48 C49 C50 0.6(7) . . . . ?

_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_y
_database_code_depnum_ccdc_archive 'CCDC 2169010'
loop_
_audit_author_name
_audit_author_address
'XiuFang Ma'
;NanJing university
China
;
_audit_update_record             
;
2022-04-27 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2022-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H63 Br3 Dy O9 P3'
_chemical_formula_sum            'C57 H63 Br3 Dy O9 P3'
_chemical_formula_weight         1387.21
_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'
Br Br -0.2901 2.4595 '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                   10.876(4)
_cell_length_b                   12.003(5)
_cell_length_c                   23.079(9)
_cell_angle_alpha                80.018(6)
_cell_angle_beta                 85.631(7)
_cell_angle_gamma                80.695(6)
_cell_volume                     2924.9(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6220
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.1325
_cell_measurement_theta_min      2.376
_shelx_estimated_absorpt_T_max   0.7452
_shelx_estimated_absorpt_T_min   0.5925
_exptl_absorpt_coefficient_mu    3.461
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1386
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0758
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22574
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.385
_diffrn_reflns_theta_min         1.743
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7303
_reflns_number_total             10339
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.480
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         10339
_refine_ls_number_restraints     271
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0441
_refine_ls_restrained_S_all      1.088
_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)+(0.0622P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1251
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C56-C57
 1.5 with sigma of 0.01
 C54-C55
 1.5 with sigma of 0.01
 C36-C35
 1.5 with sigma of 0.01
 C57-C56
 1.5 with sigma of 0.005
 C57B-C56
 1.5 with sigma of 0.005
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C6) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C19)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C7) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C18) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C38) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Others
 Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(H57C)=Sof(H56C)=Sof(H56D)=1-FVAR(1)
 Sof(H56A)=Sof(H56B)=Sof(C57B)=Sof(H57D)=Sof(H57E)=Sof(H57F)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C1(H1A,H1B), C39(H39A,H39B), C35(H35A,H35B), C54(H54A,H54B),
 C16(H16A,H16B), C18(H18A,H18B), C37(H37A,H37B), C56(H56C,H56D), C56(H56A,H56B)
6.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C31(H31), C11(H11), C23(H23), C44(H44), C52(H52), C33(H33),
 C28(H28), C49(H49), C50(H50), C43(H43), C47(H47), C30(H30), C12(H12), C4(H4),
 C26(H26), C51(H51), C45(H45), C9(H9), C32(H32), C42(H42), C7(H7), C13(H13),
 C25(H25), C24(H24), C5(H5), C6(H6)
6.c Idealised Me refined as rotating group:
 C55(H55A,H55B,H55C), C38(H38A,H38B,H38C), C57(H57A,H57B,H57C), C19(H19A,H19B,
 H19C), C57B(H57D,H57E,H57F), C36(H36A,H36B,H36C), C17(H17A,H17B,H17C)
;
_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 0.72852(3) 0.66964(2) 0.72420(2) 0.03479(10) Uani 1 1 d . U . . .
Br3 Br 0.52768(7) 0.55188(6) 0.73681(3) 0.0587(2) Uani 1 1 d . U . . .
Br1 Br 0.85014(7) 0.53948(5) 0.82100(3) 0.05629(19) Uani 1 1 d . U . . .
Br2 Br 0.63685(9) 0.82586(6) 0.62925(3) 0.0768(2) Uani 1 1 d . U . . .
P2 P 0.54447(15) 0.78924(11) 0.84152(6) 0.0390(4) Uani 1 1 d . U . . .
P1 P 0.98354(15) 0.81345(12) 0.74649(7) 0.0404(4) Uani 1 1 d . U . . .
P3 P 0.84108(15) 0.50366(13) 0.60934(7) 0.0432(4) Uani 1 1 d . U . . .
O1 O 0.8943(4) 0.7674(3) 0.71596(16) 0.0429(9) Uani 1 1 d . U . . .
O4 O 0.6266(4) 0.7804(3) 0.78840(16) 0.0393(9) Uani 1 1 d . U . . .
O7 O 0.8349(4) 0.5567(3) 0.66320(17) 0.0476(10) Uani 1 1 d . U . . .
O6 O 0.5993(4) 0.8614(3) 0.8809(2) 0.0594(12) Uani 1 1 d . U . . .
O9 O 0.9005(4) 0.5742(4) 0.55483(19) 0.0650(13) Uani 1 1 d . U . . .
O3 O 1.0299(5) 0.9196(4) 0.7071(2) 0.0663(13) Uani 1 1 d . U . . .
O5 O 0.4119(5) 0.8500(4) 0.8294(2) 0.0666(13) Uani 1 1 d . U . . .
O2 O 1.1012(5) 0.7275(4) 0.7621(2) 0.0680(13) Uani 1 1 d . U . . .
O8 O 0.9192(5) 0.3822(4) 0.6178(2) 0.0717(14) Uani 1 1 d . U . . .
C20 C 0.5350(6) 0.6511(4) 0.8847(2) 0.0420(14) Uani 1 1 d . U . . .
H20A H 0.498262 0.606536 0.861308 0.050 Uiso 1 1 calc R . . . .
H20B H 0.619152 0.612872 0.892334 0.050 Uiso 1 1 calc R . . . .
C2 C 0.9209(6) 0.9754(4) 0.8236(3) 0.0420(13) Uani 1 1 d . U . . .
C14 C 0.7445(6) 1.0362(5) 0.7559(3) 0.0522(15) Uani 1 1 d . U . . .
H14 H 0.747237 0.961078 0.750093 0.063 Uiso 1 1 calc R . . . .
C53 C 0.6830(6) 0.3432(5) 0.5223(3) 0.0447(13) Uani 1 1 d . U . . .
C40 C 0.6809(6) 0.4576(5) 0.5287(3) 0.0426(13) Uani 1 1 d . U . . .
C1 C 0.9233(6) 0.8531(4) 0.8156(2) 0.0432(14) Uani 1 1 d . U . . .
H1A H 0.838666 0.836037 0.822083 0.052 Uiso 1 1 calc R . . . .
H1B H 0.972163 0.804203 0.846308 0.052 Uiso 1 1 calc R . . . .
C3 C 0.9999(6) 1.0045(5) 0.8613(3) 0.0486(14) Uani 1 1 d . U . . .
C31 C 0.0821(7) 0.6077(6) 0.9603(4) 0.077(2) Uani 1 1 d . U . . .
H31 H -0.001678 0.598753 0.964029 0.092 Uiso 1 1 calc R . . . .
C15 C 0.8303(6) 1.0600(5) 0.7936(3) 0.0429(13) Uani 1 1 d . U . . .
C11 C 0.7306(7) 1.2606(5) 0.7722(3) 0.0602(17) Uani 1 1 d . U . . .
H11 H 0.726313 1.336290 0.777258 0.072 Uiso 1 1 calc R . . . .
C34 C 0.3338(6) 0.6374(4) 0.9472(3) 0.0443(12) Uani 1 1 d . U . . .
C23 C 0.6531(7) 0.6636(5) 0.9932(3) 0.0553(15) Uani 1 1 d . U . . .
H23 H 0.700641 0.664108 0.957901 0.066 Uiso 1 1 calc R . . . .
C41 C 0.6581(6) 0.5459(5) 0.4814(3) 0.0457(13) Uani 1 1 d . U . . .
C44 C 0.6101(7) 0.7183(7) 0.3812(4) 0.075(2) Uani 1 1 d . U . . .
H44 H 0.595259 0.775426 0.348644 0.090 Uiso 1 1 calc R . . . .
C29 C 0.2681(6) 0.6334(5) 1.0032(3) 0.0556(15) Uani 1 1 d . U . . .
C22 C 0.5238(6) 0.6561(4) 0.9931(3) 0.0472(13) Uani 1 1 d . U . . .
C52 C 0.7048(6) 0.2492(5) 0.5679(3) 0.0584(17) Uani 1 1 d . U . . .
H52 H 0.722733 0.262306 0.604707 0.070 Uiso 1 1 calc R . . . .
C39 C 0.6913(6) 0.4884(5) 0.5890(2) 0.0437(13) Uani 1 1 d . U . . .
H39A H 0.659867 0.430104 0.618249 0.052 Uiso 1 1 calc R . . . .
H39B H 0.636336 0.559873 0.591353 0.052 Uiso 1 1 calc R . . . .
C48 C 0.6595(6) 0.3182(6) 0.4651(3) 0.0524(15) Uani 1 1 d . U . . .
C10 C 0.8220(6) 1.1766(5) 0.8016(3) 0.0482(14) Uani 1 1 d . U . . .
C21 C 0.4617(6) 0.6493(4) 0.9427(2) 0.0422(12) Uani 1 1 d . U . . .
C46 C 0.6348(6) 0.5195(6) 0.4239(3) 0.0507(14) Uani 1 1 d . U . . .
C33 C 0.2677(6) 0.6262(5) 0.8980(3) 0.0521(15) Uani 1 1 d . U . . .
H33 H 0.307846 0.630318 0.860807 0.063 Uiso 1 1 calc R . . . .
C8 C 0.9913(7) 1.1226(5) 0.8673(4) 0.0613(18) Uani 1 1 d . U . . .
C28 C 0.3296(7) 0.6426(5) 1.0523(3) 0.0646(16) Uani 1 1 d . U . . .
H28 H 0.285396 0.641136 1.088502 0.078 Uiso 1 1 calc R . . . .
C49 C 0.6554(7) 0.1989(6) 0.4619(4) 0.0663(18) Uani 1 1 d . U . . .
H49 H 0.637982 0.180750 0.426153 0.080 Uiso 1 1 calc R . . . .
C50 C 0.6745(8) 0.1169(7) 0.5058(4) 0.079(2) Uani 1 1 d . U . . .
H50 H 0.670897 0.042067 0.501113 0.095 Uiso 1 1 calc R . . . .
C27 C 0.4550(7) 0.6538(5) 1.0491(3) 0.0563(15) Uani 1 1 d . U . . .
C43 C 0.6314(7) 0.7468(6) 0.4365(4) 0.0672(18) Uani 1 1 d . U . . .
H43 H 0.631434 0.822760 0.440050 0.081 Uiso 1 1 calc R . . . .
C47 C 0.6352(7) 0.4058(6) 0.4197(3) 0.0580(16) Uani 1 1 d . U . . .
H47 H 0.617832 0.388391 0.383767 0.070 Uiso 1 1 calc R . . . .
C30 C 0.1411(8) 0.6186(6) 1.0073(4) 0.076(2) Uani 1 1 d . U . . .
H30 H 0.097528 0.616372 1.043618 0.091 Uiso 1 1 calc R . . . .
C12 C 0.6498(8) 1.2345(6) 0.7371(3) 0.0671(18) Uani 1 1 d . U . . .
H12 H 0.589146 1.290894 0.719088 0.081 Uiso 1 1 calc R . . . .
C4 C 1.0888(7) 0.9265(5) 0.8949(4) 0.0657(19) Uani 1 1 d . U . . .
H4 H 1.095601 0.849283 0.892140 0.079 Uiso 1 1 calc R . . . .
C26 C 0.5177(9) 0.6588(6) 1.0995(3) 0.077(2) Uani 1 1 d . U . . .
H26 H 0.473425 0.655978 1.135670 0.092 Uiso 1 1 calc R . . . .
C51 C 0.7006(8) 0.1401(6) 0.5605(4) 0.074(2) Uani 1 1 d . U . . .
H51 H 0.715224 0.080527 0.591960 0.088 Uiso 1 1 calc R . . . .
C45 C 0.6117(7) 0.6072(7) 0.3765(3) 0.0658(18) Uani 1 1 d . U . . .
H45 H 0.596857 0.589118 0.340290 0.079 Uiso 1 1 calc R . . . .
C9 C 0.9044(7) 1.2047(5) 0.8374(3) 0.0621(18) Uani 1 1 d . U . . .
H9 H 0.901335 1.280897 0.841415 0.075 Uiso 1 1 calc R . . . .
C32 C 0.1472(7) 0.6097(5) 0.9050(4) 0.0670(18) Uani 1 1 d . U . . .
H32 H 0.106475 0.599476 0.872774 0.080 Uiso 1 1 calc R . . . .
C42 C 0.6517(6) 0.6637(6) 0.4838(3) 0.0579(16) Uani 1 1 d . U . . .
H42 H 0.661942 0.684992 0.519835 0.069 Uiso 1 1 calc R . . . .
C7 C 1.0751(9) 1.1527(7) 0.9045(4) 0.084(2) Uani 1 1 d . U . . .
H7 H 1.073429 1.229233 0.907541 0.101 Uiso 1 1 calc R . . . .
C13 C 0.6589(7) 1.1182(5) 0.7280(3) 0.0605(17) Uani 1 1 d . U . . .
H13 H 0.605792 1.099190 0.702785 0.073 Uiso 1 1 calc R . . . .
C35 C 0.3581(11) 0.8805(9) 0.7737(5) 0.119(3) Uani 1 1 d D U . . .
H35A H 0.287144 0.840901 0.773575 0.143 Uiso 1 1 calc R . . . .
H35B H 0.418769 0.857579 0.743336 0.143 Uiso 1 1 calc R . . . .
C25 C 0.6399(10) 0.6676(7) 1.0968(4) 0.086(2) Uani 1 1 d . U . . .
H25 H 0.678598 0.672188 1.130751 0.103 Uiso 1 1 calc R . . . .
C54 C 0.9982(9) 0.6424(8) 0.5582(4) 0.104(3) Uani 1 1 d D U . . .
H54A H 1.000589 0.656293 0.598212 0.125 Uiso 1 1 calc R . . . .
H54B H 1.078518 0.601005 0.547434 0.125 Uiso 1 1 calc R . . . .
C24 C 0.7093(9) 0.6699(6) 1.0425(4) 0.079(2) Uani 1 1 d . U . . .
H24 H 0.793763 0.675788 1.040641 0.094 Uiso 1 1 calc R . . . .
C55 C 0.9745(10) 0.7508(8) 0.5186(5) 0.128(4) Uani 1 1 d D U . . .
H55A H 0.972017 0.736834 0.478981 0.193 Uiso 1 1 calc GR . . . .
H55B H 1.039839 0.794846 0.520600 0.193 Uiso 1 1 calc GR . . . .
H55C H 0.895939 0.792483 0.529907 0.193 Uiso 1 1 calc GR . . . .
C16 C 0.9757(10) 0.9761(8) 0.6510(4) 0.111(3) Uani 1 1 d . U . . .
H16A H 0.920525 0.928790 0.639407 0.133 Uiso 1 1 calc R . . . .
H16B H 0.926399 1.048786 0.656384 0.133 Uiso 1 1 calc R . . . .
C5 C 1.1643(9) 0.9575(7) 0.9307(4) 0.093(3) Uani 1 1 d . U . . .
H5 H 1.221176 0.902396 0.952029 0.111 Uiso 1 1 calc R . . . .
C18 C 1.1694(10) 0.6604(8) 0.7196(4) 0.105(3) Uani 1 1 d . U . . .
H18A H 1.127737 0.678255 0.682724 0.126 Uiso 1 1 calc R . . . .
H18B H 1.253131 0.679355 0.712122 0.126 Uiso 1 1 calc R . . . .
C38 C 0.6203(12) 1.0174(8) 0.9275(5) 0.133(4) Uani 1 1 d . U . . .
H38A H 0.701242 1.008406 0.907640 0.199 Uiso 1 1 calc GR . . . .
H38B H 0.627268 0.985226 0.968419 0.199 Uiso 1 1 calc GR . . . .
H38C H 0.587125 1.097282 0.923828 0.199 Uiso 1 1 calc GR . . . .
C6 C 1.1573(10) 1.0710(7) 0.9357(5) 0.102(3) Uani 1 1 d . U . . .
H6 H 1.209454 1.092032 0.960754 0.123 Uiso 1 1 calc R . . . .
C37 C 0.5401(11) 0.9606(9) 0.9020(6) 0.129(4) Uani 1 1 d . U . . .
H37A H 0.475031 0.939907 0.931152 0.155 Uiso 1 1 calc R . . . .
H37B H 0.500376 1.013206 0.869649 0.155 Uiso 1 1 calc R . . . .
C57 C 1.075(3) 0.2370(17) 0.668(2) 0.120(11) Uani 0.42(4) 1 d D U P A 2
H57A H 1.144385 0.230844 0.692551 0.181 Uiso 0.42(4) 1 calc GR . P A 2
H57B H 1.096157 0.187883 0.639289 0.181 Uiso 0.42(4) 1 calc GR . P A 2
H57C H 1.004255 0.214563 0.692534 0.181 Uiso 0.42(4) 1 calc GR . P A 2
C56 C 1.0429(11) 0.3582(9) 0.6384(5) 0.116(3) Uani 1 1 d D U . . .
H56C H 1.050818 0.409354 0.665697 0.140 Uiso 0.42(4) 1 calc R . P A 2
H56D H 1.101902 0.372904 0.605279 0.140 Uiso 0.42(4) 1 calc R . P A 2
H56A H 1.073246 0.430520 0.636540 0.140 Uiso 0.58(4) 1 calc R . P A 1
H56B H 1.095691 0.316003 0.611197 0.140 Uiso 0.58(4) 1 calc R . P A 1
C19 C 1.1751(10) 0.5404(9) 0.7427(5) 0.124(4) Uani 1 1 d . U . . .
H19A H 1.219543 0.496286 0.714610 0.186 Uiso 1 1 calc GR . . . .
H19B H 1.092086 0.522018 0.749908 0.186 Uiso 1 1 calc GR . . . .
H19C H 1.217660 0.522911 0.778840 0.186 Uiso 1 1 calc GR . . . .
C57B C 1.060(2) 0.293(2) 0.6990(7) 0.115(8) Uani 0.58(4) 1 d D U P A 1
H57D H 0.998234 0.325581 0.725760 0.172 Uiso 0.58(4) 1 calc GR . P A 1
H57E H 1.141623 0.295902 0.710931 0.172 Uiso 0.58(4) 1 calc GR . P A 1
H57F H 1.050369 0.214445 0.699342 0.172 Uiso 0.58(4) 1 calc GR . P A 1
C36 C 0.3178(14) 1.0040(9) 0.7614(7) 0.168(5) Uani 1 1 d D U . . .
H36A H 0.360557 1.035769 0.725975 0.253 Uiso 1 1 calc GR . . . .
H36B H 0.336874 1.038136 0.793639 0.253 Uiso 1 1 calc GR . . . .
H36C H 0.229489 1.019196 0.756476 0.253 Uiso 1 1 calc GR . . . .
C17 C 1.0715(16) 0.9954(14) 0.6045(6) 0.209(9) Uani 1 1 d . U . . .
H17A H 1.032961 1.024000 0.567705 0.313 Uiso 1 1 calc GR . . . .
H17B H 1.125519 0.924733 0.601714 0.313 Uiso 1 1 calc GR . . . .
H17C H 1.119318 1.050388 0.613399 0.313 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Br3 2.7593(10) . ?
Dy1 Br1 2.7845(10) . ?
Dy1 Br2 2.7599(10) . ?
Dy1 O1 2.284(4) . ?
Dy1 O4 2.268(4) . ?
Dy1 O7 2.250(4) . ?
P2 O4 1.470(4) . ?
P2 O6 1.566(4) . ?
P2 O5 1.530(5) . ?
P2 C20 1.794(5) . ?
P1 O1 1.469(4) . ?
P1 O3 1.563(4) . ?
P1 O2 1.532(5) . ?
P1 C1 1.790(6) . ?
P3 O7 1.484(4) . ?
P3 O9 1.550(4) . ?
P3 O8 1.553(5) . ?
P3 C39 1.774(6) . ?
O6 C37 1.406(9) . ?
O9 C54 1.457(9) . ?
O3 C16 1.471(10) . ?
O5 C35 1.417(11) . ?
O2 C18 1.459(9) . ?
O8 C56 1.430(11) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.503(7) . ?
C2 C1 1.508(7) . ?
C2 C3 1.389(9) . ?
C2 C15 1.421(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.416(9) . ?
C14 C13 1.351(9) . ?
C53 C40 1.403(8) . ?
C53 C52 1.406(9) . ?
C53 C48 1.454(9) . ?
C40 C41 1.390(9) . ?
C40 C39 1.519(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C3 C8 1.436(8) . ?
C3 C4 1.408(9) . ?
C31 H31 0.9300 . ?
C31 C30 1.338(11) . ?
C31 C32 1.409(11) . ?
C15 C10 1.431(8) . ?
C11 H11 0.9300 . ?
C11 C10 1.416(9) . ?
C11 C12 1.346(10) . ?
C34 C29 1.426(8) . ?
C34 C21 1.415(9) . ?
C34 C33 1.426(9) . ?
C23 H23 0.9300 . ?
C23 C22 1.424(9) . ?
C23 C24 1.352(10) . ?
C41 C46 1.465(9) . ?
C41 C42 1.415(9) . ?
C44 H44 0.9300 . ?
C44 C43 1.421(11) . ?
C44 C45 1.354(10) . ?
C29 C28 1.388(10) . ?
C29 C30 1.414(10) . ?
C22 C21 1.409(8) . ?
C22 C27 1.442(8) . ?
C52 H52 0.9300 . ?
C52 C51 1.358(9) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C48 C49 1.455(9) . ?
C48 C47 1.356(10) . ?
C10 C9 1.381(9) . ?
C46 C47 1.385(9) . ?
C46 C45 1.388(10) . ?
C33 H33 0.9300 . ?
C33 C32 1.350(9) . ?
C8 C9 1.380(10) . ?
C8 C7 1.426(10) . ?
C28 H28 0.9300 . ?
C28 C27 1.387(10) . ?
C49 H49 0.9300 . ?
C49 C50 1.288(11) . ?
C50 H50 0.9300 . ?
C50 C51 1.398(11) . ?
C27 C26 1.407(10) . ?
C43 H43 0.9300 . ?
C43 C42 1.351(10) . ?
C47 H47 0.9300 . ?
C30 H30 0.9300 . ?
C12 H12 0.9300 . ?
C12 C13 1.434(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.344(11) . ?
C26 H26 0.9300 . ?
C26 C25 1.347(12) . ?
C51 H51 0.9300 . ?
C45 H45 0.9300 . ?
C9 H9 0.9300 . ?
C32 H32 0.9300 . ?
C42 H42 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.360(13) . ?
C13 H13 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.461(9) . ?
C25 H25 0.9300 . ?
C25 C24 1.412(12) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 C55 1.453(8) . ?
C24 H24 0.9300 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.454(15) . ?
C5 H5 0.9300 . ?
C5 C6 1.377(11) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.439(13) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C38 C37 1.408(14) . ?
C6 H6 0.9300 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C57 C56 1.497(5) . ?
C56 H56C 0.9700 . ?
C56 H56D 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 C57B 1.490(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C57B H57D 0.9600 . ?
C57B H57E 0.9600 . ?
C57B H57F 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 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
Br3 Dy1 Br1 95.60(3) . . ?
Br3 Dy1 Br2 94.30(3) . . ?
Br2 Dy1 Br1 169.76(2) . . ?
O1 Dy1 Br3 178.72(9) . . ?
O1 Dy1 Br1 83.53(10) . . ?
O1 Dy1 Br2 86.52(10) . . ?
O4 Dy1 Br3 88.26(9) . . ?
O4 Dy1 Br1 86.32(10) . . ?
O4 Dy1 Br2 91.38(10) . . ?
O4 Dy1 O1 90.74(13) . . ?
O7 Dy1 Br3 92.50(10) . . ?
O7 Dy1 Br1 91.53(11) . . ?
O7 Dy1 Br2 90.64(11) . . ?
O7 Dy1 O1 88.48(14) . . ?
O7 Dy1 O4 177.78(14) . . ?
O4 P2 O6 109.1(2) . . ?
O4 P2 O5 114.3(3) . . ?
O4 P2 C20 111.5(2) . . ?
O6 P2 C20 107.4(3) . . ?
O5 P2 O6 105.9(3) . . ?
O5 P2 C20 108.4(3) . . ?
O1 P1 O3 111.1(2) . . ?
O1 P1 O2 113.1(3) . . ?
O1 P1 C1 113.8(3) . . ?
O3 P1 C1 108.5(2) . . ?
O2 P1 O3 105.8(3) . . ?
O2 P1 C1 104.1(3) . . ?
O7 P3 O9 113.0(2) . . ?
O7 P3 O8 111.7(3) . . ?
O7 P3 C39 112.3(3) . . ?
O9 P3 O8 106.7(3) . . ?
O9 P3 C39 105.9(3) . . ?
O8 P3 C39 106.7(3) . . ?
P1 O1 Dy1 147.1(2) . . ?
P2 O4 Dy1 148.50(19) . . ?
P3 O7 Dy1 149.8(3) . . ?
C37 O6 P2 127.9(6) . . ?
C54 O9 P3 123.6(5) . . ?
C16 O3 P1 123.7(4) . . ?
C35 O5 P2 126.5(6) . . ?
C18 O2 P1 122.1(5) . . ?
C56 O8 P3 123.3(5) . . ?
P2 C20 H20A 108.1 . . ?
P2 C20 H20B 108.1 . . ?
H20A C20 H20B 107.3 . . ?
C21 C20 P2 116.6(4) . . ?
C21 C20 H20A 108.1 . . ?
C21 C20 H20B 108.1 . . ?
C3 C2 C1 121.5(5) . . ?
C3 C2 C15 120.7(5) . . ?
C15 C2 C1 117.7(5) . . ?
C15 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
C13 C14 C15 122.7(6) . . ?
C40 C53 C52 124.6(6) . . ?
C40 C53 C48 118.6(5) . . ?
C52 C53 C48 116.7(6) . . ?
C53 C40 C39 120.3(5) . . ?
C41 C40 C53 121.2(6) . . ?
C41 C40 C39 118.3(5) . . ?
P1 C1 H1A 107.8 . . ?
P1 C1 H1B 107.8 . . ?
C2 C1 P1 117.9(4) . . ?
C2 C1 H1A 107.8 . . ?
C2 C1 H1B 107.8 . . ?
H1A C1 H1B 107.2 . . ?
C2 C3 C8 118.5(6) . . ?
C2 C3 C4 125.0(5) . . ?
C4 C3 C8 116.5(6) . . ?
C30 C31 H31 120.1 . . ?
C30 C31 C32 119.8(7) . . ?
C32 C31 H31 120.1 . . ?
C2 C15 C10 119.5(5) . . ?
C14 C15 C2 123.8(5) . . ?
C14 C15 C10 116.7(6) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C12 C11 C10 122.3(6) . . ?
C21 C34 C29 119.2(6) . . ?
C21 C34 C33 122.7(5) . . ?
C33 C34 C29 118.0(6) . . ?
C22 C23 H23 118.8 . . ?
C24 C23 H23 118.8 . . ?
C24 C23 C22 122.5(7) . . ?
C40 C41 C46 119.6(6) . . ?
C40 C41 C42 125.2(6) . . ?
C42 C41 C46 115.2(6) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C45 C44 C43 119.3(7) . . ?
C28 C29 C34 119.8(6) . . ?
C28 C29 C30 121.6(7) . . ?
C30 C29 C34 118.6(7) . . ?
C23 C22 C27 116.4(6) . . ?
C21 C22 C23 124.2(6) . . ?
C21 C22 C27 119.3(6) . . ?
C53 C52 H52 118.7 . . ?
C51 C52 C53 122.7(7) . . ?
C51 C52 H52 118.7 . . ?
P3 C39 H39A 107.9 . . ?
P3 C39 H39B 107.9 . . ?
C40 C39 P3 117.8(4) . . ?
C40 C39 H39A 107.9 . . ?
C40 C39 H39B 107.9 . . ?
H39A C39 H39B 107.2 . . ?
C53 C48 C49 116.2(6) . . ?
C47 C48 C53 119.3(6) . . ?
C47 C48 C49 124.4(6) . . ?
C11 C10 C15 119.3(6) . . ?
C9 C10 C15 119.1(6) . . ?
C9 C10 C11 121.6(6) . . ?
C34 C21 C20 120.8(6) . . ?
C22 C21 C20 118.7(6) . . ?
C22 C21 C34 120.4(5) . . ?
C47 C46 C41 117.4(6) . . ?
C47 C46 C45 122.6(7) . . ?
C45 C46 C41 120.0(6) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 C34 120.5(7) . . ?
C32 C33 H33 119.8 . . ?
C9 C8 C3 120.6(6) . . ?
C9 C8 C7 121.0(6) . . ?
C7 C8 C3 118.4(7) . . ?
C29 C28 H28 119.0 . . ?
C27 C28 C29 122.0(6) . . ?
C27 C28 H28 119.0 . . ?
C48 C49 H49 118.1 . . ?
C50 C49 C48 123.9(8) . . ?
C50 C49 H49 118.1 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.1(7) . . ?
C51 C50 H50 120.0 . . ?
C28 C27 C22 119.1(6) . . ?
C28 C27 C26 121.6(7) . . ?
C26 C27 C22 119.2(7) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 C44 120.2(7) . . ?
C42 C43 H43 119.9 . . ?
C48 C47 C46 123.8(6) . . ?
C48 C47 H47 118.1 . . ?
C46 C47 H47 118.1 . . ?
C31 C30 C29 121.8(7) . . ?
C31 C30 H30 119.1 . . ?
C29 C30 H30 119.1 . . ?
C11 C12 H12 120.6 . . ?
C11 C12 C13 118.7(7) . . ?
C13 C12 H12 120.6 . . ?
C3 C4 H4 118.2 . . ?
C5 C4 C3 123.5(7) . . ?
C5 C4 H4 118.2 . . ?
C27 C26 H26 119.0 . . ?
C25 C26 C27 122.0(8) . . ?
C25 C26 H26 119.0 . . ?
C52 C51 C50 120.4(8) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C44 C45 C46 122.0(7) . . ?
C44 C45 H45 119.0 . . ?
C46 C45 H45 119.0 . . ?
C10 C9 H9 119.2 . . ?
C8 C9 C10 121.6(6) . . ?
C8 C9 H9 119.2 . . ?
C31 C32 H32 119.4 . . ?
C33 C32 C31 121.3(8) . . ?
C33 C32 H32 119.4 . . ?
C41 C42 H42 118.4 . . ?
C43 C42 C41 123.2(7) . . ?
C43 C42 H42 118.4 . . ?
C8 C7 H7 119.6 . . ?
C6 C7 C8 120.8(7) . . ?
C6 C7 H7 119.6 . . ?
C14 C13 C12 120.2(7) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
O5 C35 H35A 109.7 . . ?
O5 C35 H35B 109.7 . . ?
O5 C35 C36 109.9(10) . . ?
H35A C35 H35B 108.2 . . ?
C36 C35 H35A 109.7 . . ?
C36 C35 H35B 109.7 . . ?
C26 C25 H25 120.1 . . ?
C26 C25 C24 119.9(8) . . ?
C24 C25 H25 120.1 . . ?
O9 C54 H54A 109.7 . . ?
O9 C54 H54B 109.7 . . ?
H54A C54 H54B 108.2 . . ?
C55 C54 O9 110.0(8) . . ?
C55 C54 H54A 109.7 . . ?
C55 C54 H54B 109.7 . . ?
C23 C24 C25 120.1(8) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O3 C16 H16A 109.3 . . ?
O3 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 O3 111.7(10) . . ?
C17 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0(8) . . ?
C6 C5 H5 120.0 . . ?
O2 C18 H18A 109.8 . . ?
O2 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 O2 109.5(8) . . ?
C19 C18 H18A 109.8 . . ?
C19 C18 H18B 109.8 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
C7 C6 C5 120.7(8) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
O6 C37 C38 114.4(10) . . ?
O6 C37 H37A 108.7 . . ?
O6 C37 H37B 108.7 . . ?
C38 C37 H37A 108.7 . . ?
C38 C37 H37B 108.7 . . ?
H37A C37 H37B 107.6 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
O8 C56 C57 112.2(16) . . ?
O8 C56 H56C 109.2 . . ?
O8 C56 H56D 109.2 . . ?
O8 C56 H56A 108.0 . . ?
O8 C56 H56B 108.0 . . ?
O8 C56 C57B 117.2(13) . . ?
C57 C56 H56C 109.2 . . ?
C57 C56 H56D 109.2 . . ?
H56C C56 H56D 107.9 . . ?
H56A C56 H56B 107.2 . . ?
C57B C56 H56A 108.0 . . ?
C57B C56 H56B 108.0 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C56 C57B H57D 109.5 . . ?
C56 C57B H57E 109.5 . . ?
C56 C57B H57F 109.5 . . ?
H57D C57B H57E 109.5 . . ?
H57D C57B H57F 109.5 . . ?
H57E C57B H57F 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
P2 O6 C37 C38 -169.3(8) . . . . ?
P2 O5 C35 C36 -121.2(9) . . . . ?
P2 C20 C21 C34 93.4(5) . . . . ?
P2 C20 C21 C22 -88.6(6) . . . . ?
P1 O3 C16 C17 -132.1(10) . . . . ?
P1 O2 C18 C19 -121.8(8) . . . . ?
P3 O9 C54 C55 -138.6(8) . . . . ?
P3 O8 C56 C57 154(2) . . . . ?
P3 O8 C56 C57B 108.8(17) . . . . ?
O1 P1 O3 C16 9.0(7) . . . . ?
O1 P1 O2 C18 46.6(7) . . . . ?
O1 P1 C1 C2 -121.5(5) . . . . ?
O4 P2 O6 C37 124.4(8) . . . . ?
O4 P2 O5 C35 10.6(7) . . . . ?
O4 P2 C20 C21 175.3(5) . . . . ?
O7 P3 O9 C54 32.4(8) . . . . ?
O7 P3 O8 C56 -52.3(8) . . . . ?
O7 P3 C39 C40 168.1(4) . . . . ?
O6 P2 O4 Dy1 135.0(5) . . . . ?
O6 P2 O5 C35 130.7(7) . . . . ?
O6 P2 C20 C21 55.9(5) . . . . ?
O9 P3 O7 Dy1 94.2(5) . . . . ?
O9 P3 O8 C56 71.7(7) . . . . ?
O9 P3 C39 C40 44.3(5) . . . . ?
O3 P1 O1 Dy1 -152.7(4) . . . . ?
O3 P1 O2 C18 -75.1(7) . . . . ?
O3 P1 C1 C2 2.7(6) . . . . ?
O5 P2 O4 Dy1 -106.7(5) . . . . ?
O5 P2 O6 C37 1.0(9) . . . . ?
O5 P2 C20 C21 -58.0(6) . . . . ?
O2 P1 O1 Dy1 88.6(5) . . . . ?
O2 P1 O3 C16 132.1(7) . . . . ?
O2 P1 C1 C2 115.0(5) . . . . ?
O8 P3 O7 Dy1 -145.4(5) . . . . ?
O8 P3 O9 C54 -90.8(7) . . . . ?
O8 P3 C39 C40 -69.1(5) . . . . ?
C20 P2 O4 Dy1 16.6(6) . . . . ?
C20 P2 O6 C37 -114.6(8) . . . . ?
C20 P2 O5 C35 -114.4(7) . . . . ?
C2 C3 C8 C9 1.5(11) . . . . ?
C2 C3 C8 C7 -178.1(7) . . . . ?
C2 C3 C4 C5 179.6(8) . . . . ?
C2 C15 C10 C11 -179.3(6) . . . . ?
C2 C15 C10 C9 1.5(9) . . . . ?
C14 C15 C10 C11 0.0(8) . . . . ?
C14 C15 C10 C9 -179.2(6) . . . . ?
C53 C40 C41 C46 0.5(9) . . . . ?
C53 C40 C41 C42 178.7(6) . . . . ?
C53 C40 C39 P3 95.8(6) . . . . ?
C53 C52 C51 C50 0.3(12) . . . . ?
C53 C48 C49 C50 -1.9(11) . . . . ?
C53 C48 C47 C46 2.0(10) . . . . ?
C40 C53 C52 C51 177.0(6) . . . . ?
C40 C53 C48 C49 -176.4(6) . . . . ?
C40 C53 C48 C47 -0.5(9) . . . . ?
C40 C41 C46 C47 0.8(9) . . . . ?
C40 C41 C46 C45 179.9(6) . . . . ?
C40 C41 C42 C43 178.8(7) . . . . ?
C1 P1 O1 Dy1 -29.8(6) . . . . ?
C1 P1 O3 C16 -116.8(7) . . . . ?
C1 P1 O2 C18 170.6(7) . . . . ?
C1 C2 C3 C8 -179.2(6) . . . . ?
C1 C2 C3 C4 0.4(10) . . . . ?
C1 C2 C15 C14 -1.4(9) . . . . ?
C1 C2 C15 C10 177.9(5) . . . . ?
C3 C2 C1 P1 -109.9(6) . . . . ?
C3 C2 C15 C14 -178.2(6) . . . . ?
C3 C2 C15 C10 1.0(9) . . . . ?
C3 C8 C9 C10 1.0(12) . . . . ?
C3 C8 C7 C6 -3.0(14) . . . . ?
C3 C4 C5 C6 -0.3(15) . . . . ?
C15 C2 C1 P1 73.3(7) . . . . ?
C15 C2 C3 C8 -2.5(9) . . . . ?
C15 C2 C3 C4 177.1(6) . . . . ?
C15 C14 C13 C12 -1.7(10) . . . . ?
C15 C10 C9 C8 -2.5(11) . . . . ?
C11 C10 C9 C8 178.3(7) . . . . ?
C11 C12 C13 C14 2.3(11) . . . . ?
C34 C29 C28 C27 -1.1(9) . . . . ?
C34 C29 C30 C31 0.4(10) . . . . ?
C34 C33 C32 C31 2.6(9) . . . . ?
C23 C22 C21 C20 -0.6(8) . . . . ?
C23 C22 C21 C34 177.4(5) . . . . ?
C23 C22 C27 C28 -177.8(5) . . . . ?
C23 C22 C27 C26 -0.1(8) . . . . ?
C41 C40 C39 P3 -89.9(6) . . . . ?
C41 C46 C47 C48 -2.1(10) . . . . ?
C41 C46 C45 C44 0.2(10) . . . . ?
C44 C43 C42 C41 2.6(11) . . . . ?
C29 C34 C21 C20 178.5(5) . . . . ?
C29 C34 C21 C22 0.6(7) . . . . ?
C29 C34 C33 C32 -1.5(8) . . . . ?
C29 C28 C27 C22 0.0(9) . . . . ?
C29 C28 C27 C26 -177.6(6) . . . . ?
C22 C23 C24 C25 0.9(10) . . . . ?
C22 C27 C26 C25 1.1(10) . . . . ?
C52 C53 C40 C41 -179.7(6) . . . . ?
C52 C53 C40 C39 -5.5(9) . . . . ?
C52 C53 C48 C49 2.7(9) . . . . ?
C52 C53 C48 C47 178.6(6) . . . . ?
C39 P3 O7 Dy1 -25.6(6) . . . . ?
C39 P3 O9 C54 155.7(7) . . . . ?
C39 P3 O8 C56 -175.4(7) . . . . ?
C39 C40 C41 C46 -173.8(5) . . . . ?
C39 C40 C41 C42 4.4(9) . . . . ?
C48 C53 C40 C41 -0.6(9) . . . . ?
C48 C53 C40 C39 173.5(6) . . . . ?
C48 C53 C52 C51 -2.0(10) . . . . ?
C48 C49 C50 C51 0.2(13) . . . . ?
C10 C11 C12 C13 -1.8(11) . . . . ?
C21 C34 C29 C28 0.8(8) . . . . ?
C21 C34 C29 C30 -178.4(5) . . . . ?
C21 C34 C33 C32 176.9(5) . . . . ?
C21 C22 C27 C28 1.3(8) . . . . ?
C21 C22 C27 C26 179.1(5) . . . . ?
C46 C41 C42 C43 -2.9(10) . . . . ?
C33 C34 C29 C28 179.2(5) . . . . ?
C33 C34 C29 C30 0.0(8) . . . . ?
C33 C34 C21 C20 0.2(8) . . . . ?
C33 C34 C21 C22 -177.8(5) . . . . ?
C8 C3 C4 C5 -0.7(12) . . . . ?
C8 C7 C6 C5 2.0(17) . . . . ?
C28 C29 C30 C31 -178.8(7) . . . . ?
C28 C27 C26 C25 178.8(7) . . . . ?
C49 C48 C47 C46 177.5(6) . . . . ?
C49 C50 C51 C52 0.7(13) . . . . ?
C27 C22 C21 C20 -179.6(5) . . . . ?
C27 C22 C21 C34 -1.6(7) . . . . ?
C27 C26 C25 C24 -1.2(12) . . . . ?
C43 C44 C45 C46 -0.7(11) . . . . ?
C47 C48 C49 C50 -177.6(8) . . . . ?
C47 C46 C45 C44 179.2(7) . . . . ?
C30 C31 C32 C33 -2.2(11) . . . . ?
C30 C29 C28 C27 178.1(6) . . . . ?
C12 C11 C10 C15 0.7(10) . . . . ?
C12 C11 C10 C9 179.9(7) . . . . ?
C4 C3 C8 C9 -178.1(7) . . . . ?
C4 C3 C8 C7 2.3(11) . . . . ?
C4 C5 C6 C7 -0.4(17) . . . . ?
C26 C25 C24 C23 0.2(11) . . . . ?
C45 C44 C43 C42 -0.7(12) . . . . ?
C45 C46 C47 C48 178.9(7) . . . . ?
C9 C8 C7 C6 177.4(9) . . . . ?
C32 C31 C30 C29 0.6(11) . . . . ?
C42 C41 C46 C47 -177.6(6) . . . . ?
C42 C41 C46 C45 1.5(9) . . . . ?
C7 C8 C9 C10 -179.4(8) . . . . ?
C13 C14 C15 C2 179.8(6) . . . . ?
C13 C14 C15 C10 0.5(9) . . . . ?
C24 C23 C22 C21 180.0(6) . . . . ?
C24 C23 C22 C27 -0.9(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
