# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_aj1105_r
_database_code_depnum_ccdc_archive 'CCDC 2191768'
loop_
_audit_author_name
_audit_author_address
'PANKAJ KALITA'
;Tata Institute of Fundamental Research, Hyderabad
India
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2023-01-23 downloaded from the CCDC.
;
_audit_creation_date             2020-06-25
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.05.22 svn.r1d9e7f8d for OlexSys, GUI svn.r6115)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C59 H85 Dy N5 O4 P2, C24 H20 B'
_chemical_formula_sum            'C83 H105 B Dy N5 O4 P2'
_chemical_formula_weight         1471.96
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOPDyB
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   13.8161(2)
_cell_length_b                   15.6888(2)
_cell_length_c                   19.0034(3)
_cell_angle_alpha                89.3110(10)
_cell_angle_beta                 71.1960(10)
_cell_angle_gamma                89.0170(10)
_cell_volume                     3898.62(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    32507
_cell_measurement_temperature    297.26(10)
_cell_measurement_theta_max      28.6880
_cell_measurement_theta_min      2.3990
_shelx_estimated_absorpt_T_max   0.730
_shelx_estimated_absorpt_T_min   0.591
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1542
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.32
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1065
_diffrn_reflns_av_unetI/netI     0.0678
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            61931
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.201
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      297.26(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -28.00  -2.00   0.50    5.34    --    7.20 -57.00  60.00   52
  2  ω     24.00  50.00   0.50    5.34    --    7.20  57.00 -60.00   52
  3  ω     54.00  81.00   0.50    5.34    --    7.20  77.00  30.00   54
  4  ω    -49.00  35.00   0.50    5.34    --    7.20 -77.00 150.00  168
  5  ω    -23.00  31.00   0.50    5.34    --    7.20  57.00 150.00  108
  6  ω    -79.00 -53.00   0.50    5.34    --    7.20 -57.00  60.00   52
  7  ω    -48.00  51.00   0.50    5.34    --    7.20 -82.00 -90.00  198
  8  ω    -21.00   5.00   0.50    5.34    --    7.20 -82.00 -60.00   52
  9  ω     22.00  48.00   0.50    5.34    --    7.20 -82.00 -60.00   52
 10  ω    -19.00   7.00   0.50    5.34    --    7.20  57.00 -60.00   52
 11  ω    -74.00  10.00   0.50    5.34    --   -7.60 -77.00 -30.00  168
 12  ω    -56.00  -9.00   0.50    5.34    --   -7.60 -82.00  30.00   94
 13  ω    -59.00  26.00   0.50    5.34    --   -7.60 -82.00 120.00  170
 14  ω    -45.00 -20.00   0.50    5.34    --   -7.60  38.00 -60.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0137646000
_diffrn_orient_matrix_UB_12      0.0026095000
_diffrn_orient_matrix_UB_13      0.0392464000
_diffrn_orient_matrix_UB_21      -0.0522591000
_diffrn_orient_matrix_UB_22      0.0039472000
_diffrn_orient_matrix_UB_23      0.0026032000
_diffrn_orient_matrix_UB_31      -0.0046205000
_diffrn_orient_matrix_UB_32      -0.0449701000
_diffrn_orient_matrix_UB_33      0.0027778000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12676
_reflns_number_total             14453
_reflns_odcompleteness_completeness 99.39
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.090
_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     945
_refine_ls_number_reflns         14453
_refine_ls_number_restraints     208
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0482
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0790P)²+1.2922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1261
_refine_ls_wR_factor_ref         0.1331
_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
 C24-C25 \\sim C24-C9A
 with sigma of 0.02
 C28-C27 \\sim C28-C5A
 with sigma of 0.02
 C27-C26 \\sim C5A-C8A
 with sigma of 0.02
 C27-C25 \\sim C5A-C9A
 with sigma of 0.04
 C25-C26 \\sim C9A-C8A
 with sigma of 0.02
 C24-C26 \\sim C24-C8A
 with sigma of 0.04
 C28-C26 \\sim C28-C8A
 with sigma of 0.04
 C37-C38 \\sim C7A-C10A
 with sigma of 0.02
 C36-C37 \\sim C36-C7A
 with sigma of 0.02
 C39-C41 \\sim C11A-C12A
 with sigma of 0.04
 C37-C39 \\sim C7A-C11A
 with sigma of 0.04
 C36-C41 \\sim C36-C12A
 with sigma of 0.02
 C38-C40 \\sim C10A-C13A
 with sigma of 0.04
 C36-C40 \\sim C36-C13A
 with sigma of 0.04
 C38-C39 \\sim C10A-C11A
 with sigma of 0.02
 C39-C40 \\sim C11A-C13A
 with sigma of 0.02
 C41-C40 \\sim C12A-C13A
 with sigma of 0.02
 C36-C38 \\sim C36-C10A
 with sigma of 0.04
 C54-C59 \\sim C54-C6A
 with sigma of 0.02
 C56-C57 \\sim C56-C15A
 with sigma of 0.02
 C54-C58 \\sim C54-C14A
 with sigma of 0.04
 C56-C58 \\sim C56-C14A
 with sigma of 0.04
 C57-C59 \\sim C15A-C6A
 with sigma of 0.04
 C57-C58 \\sim C15A-C14A
 with sigma of 0.02
 C59-C58 \\sim C6A-C14A
 with sigma of 0.02
 C39-C40 \\sim C41-C36 \\sim C37-C38
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C5A) = Uanis(C27)
Uanis(C13A) = Uanis(C40)
Uanis(C10A) = Uanis(C38)
Uanis(C11A) = Uanis(C39)
4. Rigid body (RIGU) restrains
 C24, C25, C26, C27, C28, C29
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C5A, C8A, C9A, C24, C28, C29
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C7A, C10A, C11A, C12A, C13A, C36
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C36, C37, C38, C39, C40, C41
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C6A, C14A, C15A, C55, C56
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C56, C57, C58, C59
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(C8A)=Sof(H8AA)=Sof(H8AB)=Sof(C9A)=Sof(H9AA)=
 Sof(H9AB)=Sof(H24A)=Sof(H28C)=Sof(H28D)=1-FVAR(1)
 Sof(H24)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(C27)=
 Sof(H27A)=Sof(H27B)=Sof(H28A)=Sof(H28B)=FVAR(1)
 Sof(C7A)=Sof(H7AA)=Sof(H7AB)=Sof(C10A)=Sof(H10D)=Sof(H10E)=Sof(C11A)=
 Sof(H11D)=Sof(H11E)=Sof(C12A)=Sof(H12A)=Sof(H12B)=Sof(C13A)=Sof(H13A)=
 Sof(H13B)=Sof(H36A)=1-FVAR(2)
 Sof(H36)=Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(C39)=
 Sof(H39A)=Sof(H39B)=Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(C41)=Sof(H41A)=Sof(H41B)=
 FVAR(2)
 Sof(C6A)=Sof(H6AA)=Sof(H6AB)=Sof(C14A)=Sof(H14A)=Sof(H14B)=Sof(C15A)=
 Sof(H15A)=Sof(H15B)=Sof(H54A)=Sof(H56C)=Sof(H56D)=1-FVAR(3)
 Sof(H54)=Sof(H56A)=Sof(H56B)=Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(C58)=Sof(H58A)=
 Sof(H58B)=Sof(C59)=Sof(H59A)=Sof(H59B)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C24(H24A), C24(H24), C30(H30), C36(H36A), C36(H36), C42(H42), C48(H48),
 C54(H54), C54(H54A)
6.b Secondary CH2 refined with riding coordinates:
 C5A(H5AA,H5AB), C6A(H6AA,H6AB), C7A(H7AA,H7AB), C8A(H8AA,H8AB), C9A(H9AA,
 H9AB), C10A(H10D,H10E), C11A(H11D,H11E), C12A(H12A,H12B), C13A(H13A,H13B),
 C14A(H14A,H14B), C15A(H15A,H15B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,
 H27B), C28(H28A,H28B), C28(H28C,H28D), C29(H29A,H29B), C31(H31A,H31B),
 C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C37(H37A,H37B),
  C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C43(H43A,
 H43B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,H47B),
 C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,H53B),
  C55(H55A,H55B), C56(H56A,H56B), C56(H56C,H56D), C57(H57A,H57B), C58(H58A,
 H58B), C59(H59A,H59B)
6.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17),
 C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C61(H61), C62(H62), C63(H63),
  C64(H64), C65(H65), C67(H67), C68(H68), C69(H69), C70(H70), C71(H71),
 C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C79(H79), C80(H80), C81(H81),
  C82(H82), C83(H83)
6.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.34907(2) 0.68869(2) 0.19750(2) 0.04466(8) Uani 1 1 d . . . . .
P1 P 0.47861(8) 0.51124(6) 0.26667(6) 0.0509(2) Uani 1 1 d . . . . .
P2 P 0.21607(8) 0.86651(6) 0.13131(7) 0.0577(3) Uani 1 1 d . . . . .
O1 O 0.4260(2) 0.58769(17) 0.24584(15) 0.0565(6) Uani 1 1 d . . . . .
O2 O 0.2675(2) 0.79310(18) 0.15885(18) 0.0660(7) Uani 1 1 d . . . . .
O3 O 0.2465(2) 0.59335(17) 0.16689(15) 0.0587(6) Uani 1 1 d . . . . .
O4 O 0.4844(2) 0.69034(17) 0.09167(14) 0.0549(6) Uani 1 1 d . . . . .
N1 N 0.1174(3) 0.6074(2) 0.2796(2) 0.0651(9) Uani 1 1 d . . . . .
N2 N 0.1873(3) 0.6608(2) 0.29526(19) 0.0617(8) Uani 1 1 d . . . . .
N3 N 0.3224(3) 0.7660(2) 0.31469(18) 0.0620(8) Uani 1 1 d . . . . .
N4 N 0.4893(3) 0.7824(2) 0.20018(19) 0.0570(8) Uani 1 1 d . . . . .
N5 N 0.5766(3) 0.7837(2) 0.1384(2) 0.0644(9) Uani 1 1 d . . . . .
C1 C 0.1575(3) 0.5778(2) 0.2111(2) 0.0540(9) Uani 1 1 d . . . . .
C2 C 0.1586(4) 0.6992(3) 0.3584(3) 0.0775(13) Uani 1 1 d . . . . .
C3 C 0.2332(4) 0.7577(3) 0.3704(2) 0.0797(13) Uani 1 1 d . . . . .
C4 C 0.2160(6) 0.8034(5) 0.4364(3) 0.122(3) Uani 1 1 d . . . . .
H4 H 0.155598 0.796560 0.475669 0.146 Uiso 1 1 calc R U . . .
C5 C 0.2885(7) 0.8580(5) 0.4426(4) 0.134(3) Uani 1 1 d . . . . .
H5 H 0.276509 0.889635 0.485665 0.161 Uiso 1 1 calc R U . . .
C5A C 0.2079(14) 0.334(2) 0.4016(10) 0.174(7) Uani 0.458(9) 1 d D . P A 2
H5AA H 0.167764 0.282938 0.413292 0.209 Uiso 0.458(9) 1 calc R U P A 2
H5AB H 0.169481 0.379826 0.433175 0.209 Uiso 0.458(9) 1 calc R U P A 2
C6 C 0.3792(6) 0.8665(4) 0.3856(3) 0.103(2) Uani 1 1 d . . . . .
H6 H 0.429186 0.903018 0.390182 0.124 Uiso 1 1 calc R U . . .
C6A C 0.213(2) 0.9417(8) 0.2669(9) 0.186(13) Uani 0.533(14) 1 d D . P B 2
H6AA H 0.265238 0.899026 0.264002 0.223 Uiso 0.533(14) 1 calc R U P B 2
H6AB H 0.147935 0.918116 0.297333 0.223 Uiso 0.533(14) 1 calc R U P B 2
C7 C 0.3951(4) 0.8198(3) 0.3211(2) 0.0707(12) Uani 1 1 d . . . . .
C7A C 0.6146(14) 0.6287(11) 0.2844(10) 0.084(5) Uani 0.304(6) 1 d D . P C 2
H7AA H 0.668032 0.611484 0.239414 0.101 Uiso 0.304(6) 1 calc R U P C 2
H7AB H 0.567582 0.666092 0.269934 0.101 Uiso 0.304(6) 1 calc R U P C 2
C8 C 0.4897(4) 0.8254(2) 0.2573(2) 0.0631(10) Uani 1 1 d . . . . .
C8A C 0.3053(12) 0.3207(12) 0.4144(11) 0.143(7) Uani 0.458(9) 1 d D . P A 2
H8AA H 0.322937 0.260694 0.405921 0.171 Uiso 0.458(9) 1 calc R U P A 2
H8AB H 0.293788 0.330833 0.466778 0.171 Uiso 0.458(9) 1 calc R U P A 2
C9 C 0.5654(3) 0.7339(2) 0.0858(2) 0.0533(9) Uani 1 1 d . . . . .
C9A C 0.4012(8) 0.3719(6) 0.3701(6) 0.076(3) Uani 0.458(9) 1 d D . P A 2
H9AA H 0.428474 0.399098 0.405133 0.092 Uiso 0.458(9) 1 calc R U P A 2
H9AB H 0.452952 0.332355 0.340996 0.092 Uiso 0.458(9) 1 calc R U P A 2
C10 C 0.5761(5) 0.8772(4) 0.2622(3) 0.0957(18) Uani 1 1 d . . . . .
H10A H 0.598565 0.855903 0.302028 0.144 Uiso 1 1 calc R U . . .
H10B H 0.554116 0.935571 0.271646 0.144 Uiso 1 1 calc R U . . .
H10C H 0.631530 0.873699 0.216245 0.144 Uiso 1 1 calc R U . . .
C10A C 0.662(2) 0.6778(14) 0.3312(14) 0.139(4) Uani 0.304(6) 1 d D . P C 2
H10D H 0.707923 0.719414 0.300233 0.166 Uiso 0.304(6) 1 calc R U P C 2
H10E H 0.608557 0.708604 0.368680 0.166 Uiso 0.304(6) 1 calc R U P C 2
C11 C 0.0553(5) 0.6864(6) 0.4165(4) 0.137(3) Uani 1 1 d . . . . .
H11A H 0.007076 0.669234 0.392788 0.206 Uiso 1 1 calc R U . . .
H11B H 0.032346 0.738875 0.442475 0.206 Uiso 1 1 calc R U . . .
H11C H 0.060812 0.643041 0.451113 0.206 Uiso 1 1 calc R U . . .
C11A C 0.719(2) 0.6227(15) 0.3686(18) 0.159(5) Uani 0.304(6) 1 d D . P C 2
H11D H 0.783968 0.605422 0.332419 0.191 Uiso 0.304(6) 1 calc R U P C 2
H11E H 0.734677 0.655438 0.406634 0.191 Uiso 0.304(6) 1 calc R U P C 2
C12 C 0.0898(3) 0.5246(2) 0.1835(3) 0.0650(11) Uani 1 1 d . . . . .
C12A C 0.6232(15) 0.4956(10) 0.3487(11) 0.097(6) Uani 0.304(6) 1 d D . P C 2
H12A H 0.680532 0.477589 0.306430 0.116 Uiso 0.304(6) 1 calc R U P C 2
H12B H 0.588950 0.444917 0.373765 0.116 Uiso 0.304(6) 1 calc R U P C 2
C13 C 0.0015(4) 0.4887(3) 0.2315(4) 0.0871(15) Uani 1 1 d . . . . .
H13 H -0.015491 0.496530 0.282535 0.105 Uiso 1 1 calc R U . . .
C13A C 0.663(2) 0.5465(14) 0.4027(12) 0.137(3) Uani 0.304(6) 1 d D . P C 2
H13A H 0.605408 0.563389 0.445285 0.164 Uiso 0.304(6) 1 calc R U P C 2
H13B H 0.707319 0.509678 0.420622 0.164 Uiso 0.304(6) 1 calc R U P C 2
C14 C -0.0617(5) 0.4412(4) 0.2034(5) 0.111(2) Uani 1 1 d . . . . .
H14 H -0.120645 0.417385 0.235819 0.133 Uiso 1 1 calc R U . . .
C14A C 0.234(2) 1.0196(11) 0.3066(14) 0.198(15) Uani 0.533(14) 1 d D . P B 2
H14A H 0.221580 1.005118 0.358563 0.238 Uiso 0.533(14) 1 calc R U P B 2
H14B H 0.306350 1.033004 0.285375 0.238 Uiso 0.533(14) 1 calc R U P B 2
C15 C -0.0382(5) 0.4293(4) 0.1293(6) 0.117(3) Uani 1 1 d . . . . .
H15 H -0.081130 0.397747 0.110994 0.141 Uiso 1 1 calc R U . . .
C15A C 0.1765(19) 1.0923(10) 0.3024(12) 0.154(7) Uani 0.533(14) 1 d D . P B 2
H15A H 0.216734 1.141966 0.303695 0.185 Uiso 0.533(14) 1 calc R U P B 2
H15B H 0.116650 1.093788 0.346490 0.185 Uiso 0.533(14) 1 calc R U P B 2
C16 C 0.0495(5) 0.4640(4) 0.0811(4) 0.1015(19) Uani 1 1 d . . . . .
H16 H 0.065860 0.455688 0.030216 0.122 Uiso 1 1 calc R U . . .
C17 C 0.1132(4) 0.5113(3) 0.1083(3) 0.0752(13) Uani 1 1 d . . . . .
H17 H 0.172368 0.534365 0.075436 0.090 Uiso 1 1 calc R U . . .
C18 C 0.6524(3) 0.7280(3) 0.0167(2) 0.0596(9) Uani 1 1 d . . . . .
C19 C 0.6481(4) 0.6729(4) -0.0383(3) 0.0794(13) Uani 1 1 d . . . . .
H19 H 0.589342 0.641308 -0.031234 0.095 Uiso 1 1 calc R U . . .
C20 C 0.7296(5) 0.6635(4) -0.1042(3) 0.1025(18) Uani 1 1 d . . . . .
H20 H 0.726528 0.624467 -0.139882 0.123 Uiso 1 1 calc R U . . .
C21 C 0.8143(4) 0.7129(5) -0.1153(4) 0.1004(19) Uani 1 1 d . . . . .
H21 H 0.868351 0.708996 -0.159666 0.120 Uiso 1 1 calc R U . . .
C22 C 0.8193(4) 0.7671(4) -0.0621(4) 0.108(2) Uani 1 1 d . . . . .
H22 H 0.877373 0.799844 -0.070220 0.130 Uiso 1 1 calc R U . . .
C23 C 0.7399(4) 0.7751(3) 0.0044(3) 0.0843(15) Uani 1 1 d . . . . .
H23 H 0.745649 0.812049 0.040665 0.101 Uiso 1 1 calc R U . . .
C24 C 0.3829(4) 0.4370(3) 0.3204(3) 0.0771(12) Uani 1 1 d D . . . .
H24A H 0.336990 0.475860 0.356490 0.092 Uiso 0.458(9) 1 calc R U P A 2
H24 H 0.419484 0.386347 0.329857 0.092 Uiso 0.542(9) 1 calc R U P A 1
C25 C 0.3248(9) 0.4748(8) 0.3947(6) 0.114(4) Uani 0.542(9) 1 d D . P A 1
H25A H 0.287916 0.525871 0.388284 0.136 Uiso 0.542(9) 1 calc R U P A 1
H25B H 0.371454 0.489737 0.421247 0.136 Uiso 0.542(9) 1 calc R U P A 1
C26 C 0.2460(10) 0.4034(12) 0.4405(6) 0.142(6) Uani 0.542(9) 1 d D . P A 1
H26A H 0.280548 0.349762 0.443273 0.170 Uiso 0.542(9) 1 calc R U P A 1
H26B H 0.207761 0.422300 0.490283 0.170 Uiso 0.542(9) 1 calc R U P A 1
C27 C 0.1775(11) 0.3969(13) 0.3914(9) 0.174(7) Uani 0.542(9) 1 d D . P A 1
H27A H 0.115651 0.366671 0.418105 0.209 Uiso 0.542(9) 1 calc R U P A 1
H27B H 0.158100 0.453575 0.379471 0.209 Uiso 0.542(9) 1 calc R U P A 1
C28 C 0.2266(9) 0.3558(8) 0.3291(6) 0.202(5) Uani 1 1 d D . . . .
H28A H 0.179719 0.344483 0.301937 0.243 Uiso 0.542(9) 1 calc R U P A 1
H28B H 0.252578 0.301605 0.341095 0.243 Uiso 0.542(9) 1 calc R U P A 1
H28C H 0.165014 0.384564 0.326799 0.243 Uiso 0.458(9) 1 calc R U P A 2
H28D H 0.230882 0.302331 0.303146 0.243 Uiso 0.458(9) 1 calc R U P A 2
C29 C 0.3156(6) 0.4092(5) 0.2806(4) 0.119(2) Uani 1 1 d . . . . .
H29A H 0.354925 0.375697 0.238141 0.143 Uiso 1 1 calc R U . . .
H29B H 0.288387 0.458833 0.262125 0.143 Uiso 1 1 calc R U . . .
C30 C 0.5624(4) 0.4627(3) 0.1819(3) 0.0721(11) Uani 1 1 d . . . . .
H30 H 0.622029 0.499863 0.167974 0.087 Uiso 1 1 calc R U . . .
C31 C 0.5259(6) 0.4695(5) 0.1167(3) 0.112(2) Uani 1 1 d . . . . .
H31A H 0.505976 0.528127 0.111266 0.134 Uiso 1 1 calc R U . . .
H31B H 0.465763 0.434575 0.125548 0.134 Uiso 1 1 calc R U . . .
C32 C 0.6066(6) 0.4413(4) 0.0448(3) 0.109(2) Uani 1 1 d . . . . .
H32A H 0.576885 0.442376 0.004950 0.131 Uiso 1 1 calc R U . . .
H32B H 0.662506 0.481221 0.032000 0.131 Uiso 1 1 calc R U . . .
C33 C 0.6472(6) 0.3543(4) 0.0509(4) 0.126(3) Uani 1 1 d . . . . .
H33A H 0.593815 0.313230 0.055477 0.151 Uiso 1 1 calc R U . . .
H33B H 0.702970 0.341617 0.005764 0.151 Uiso 1 1 calc R U . . .
C34 C 0.6835(6) 0.3456(5) 0.1140(5) 0.138(3) Uani 1 1 d . . . . .
H34A H 0.746143 0.377510 0.103492 0.165 Uiso 1 1 calc R U . . .
H34B H 0.700535 0.286062 0.118774 0.165 Uiso 1 1 calc R U . . .
C35 C 0.6083(5) 0.3759(4) 0.1907(4) 0.0936(17) Uani 1 1 d . . . . .
H35A H 0.554059 0.334836 0.209191 0.112 Uiso 1 1 calc R U . . .
H35B H 0.644682 0.379611 0.226434 0.112 Uiso 1 1 calc R U . . .
C36 C 0.5542(4) 0.5455(3) 0.3235(3) 0.0734(11) Uani 1 1 d D . . . .
H36A H 0.503624 0.566838 0.369154 0.088 Uiso 0.304(6) 1 calc R U P C 2
H36 H 0.569396 0.492884 0.346486 0.088 Uiso 0.696(6) 1 calc R U P C 1
C37 C 0.6587(8) 0.5807(9) 0.2802(5) 0.123(4) Uani 0.696(6) 1 d D . P C 1
H37A H 0.650412 0.630048 0.251357 0.147 Uiso 0.696(6) 1 calc R U P C 1
H37B H 0.698217 0.537831 0.246061 0.147 Uiso 0.696(6) 1 calc R U P C 1
C38 C 0.7160(9) 0.6061(8) 0.3337(7) 0.139(4) Uani 0.696(6) 1 d D . P C 1
H38A H 0.778738 0.634764 0.306282 0.166 Uiso 0.696(6) 1 calc R U P C 1
H38B H 0.733748 0.555543 0.356943 0.166 Uiso 0.696(6) 1 calc R U P C 1
C39 C 0.6481(11) 0.6658(8) 0.3935(7) 0.159(5) Uani 0.696(6) 1 d D . P C 1
H39A H 0.685485 0.683743 0.425969 0.191 Uiso 0.696(6) 1 calc R U P C 1
H39B H 0.630364 0.716265 0.370043 0.191 Uiso 0.696(6) 1 calc R U P C 1
C40 C 0.5543(9) 0.6228(8) 0.4377(6) 0.137(3) Uani 0.696(6) 1 d D . P C 1
H40A H 0.512844 0.660797 0.475904 0.164 Uiso 0.696(6) 1 calc R U P C 1
H40B H 0.571420 0.572576 0.461728 0.164 Uiso 0.696(6) 1 calc R U P C 1
C41 C 0.4942(8) 0.5971(7) 0.3858(5) 0.118(3) Uani 0.696(6) 1 d D . P C 1
H41A H 0.434461 0.565358 0.414272 0.141 Uiso 0.696(6) 1 calc R U P C 1
H41B H 0.470535 0.648214 0.366814 0.141 Uiso 0.696(6) 1 calc R U P C 1
C42 C 0.0893(3) 0.8372(3) 0.1329(2) 0.0610(10) Uani 1 1 d . . . . .
H42 H 0.059560 0.885416 0.113317 0.073 Uiso 1 1 calc R U . . .
C43 C 0.0185(4) 0.8175(3) 0.2114(3) 0.0827(14) Uani 1 1 d . . . . .
H43A H 0.048673 0.771960 0.232836 0.099 Uiso 1 1 calc R U . . .
H43B H 0.012009 0.867573 0.242176 0.099 Uiso 1 1 calc R U . . .
C44 C -0.0872(4) 0.7911(4) 0.2119(4) 0.0987(19) Uani 1 1 d . . . . .
H44A H -0.128723 0.776995 0.262285 0.118 Uiso 1 1 calc R U . . .
H44B H -0.120061 0.838523 0.194885 0.118 Uiso 1 1 calc R U . . .
C45 C -0.0815(4) 0.7154(3) 0.1626(3) 0.0839(14) Uani 1 1 d . . . . .
H45A H -0.149460 0.702178 0.161821 0.101 Uiso 1 1 calc R U . . .
H45B H -0.055144 0.666156 0.182336 0.101 Uiso 1 1 calc R U . . .
C46 C -0.0128(4) 0.7337(4) 0.0845(3) 0.0887(15) Uani 1 1 d . . . . .
H46A H -0.043027 0.779142 0.063045 0.106 Uiso 1 1 calc R U . . .
H46B H -0.007058 0.683304 0.054320 0.106 Uiso 1 1 calc R U . . .
C47 C 0.0935(4) 0.7599(3) 0.0833(3) 0.0726(12) Uani 1 1 d . . . . .
H47A H 0.134528 0.773478 0.032700 0.087 Uiso 1 1 calc R U . . .
H47B H 0.126231 0.712338 0.100258 0.087 Uiso 1 1 calc R U . . .
C48 C 0.2910(4) 0.8900(3) 0.0334(3) 0.0788(13) Uani 1 1 d . . . . .
H48 H 0.272542 0.843176 0.006690 0.095 Uiso 1 1 calc R U . . .
C49 C 0.2554(4) 0.9675(3) 0.0005(3) 0.0712(11) Uani 1 1 d . . . . .
H49A H 0.262357 1.017866 0.027459 0.085 Uiso 1 1 calc R U . . .
H49B H 0.183744 0.961834 0.005272 0.085 Uiso 1 1 calc R U . . .
C50 C 0.3184(5) 0.9775(5) -0.0814(4) 0.123(3) Uani 1 1 d . . . . .
H50A H 0.295150 0.935805 -0.109516 0.148 Uiso 1 1 calc R U . . .
H50B H 0.303796 1.033493 -0.098015 0.148 Uiso 1 1 calc R U . . .
C51 C 0.4275(6) 0.9680(5) -0.0999(4) 0.117(2) Uani 1 1 d . . . . .
H51A H 0.454065 1.018474 -0.084039 0.141 Uiso 1 1 calc R U . . .
H51B H 0.457574 0.964115 -0.153448 0.141 Uiso 1 1 calc R U . . .
C52 C 0.4597(4) 0.8913(4) -0.0651(3) 0.0964(17) Uani 1 1 d . . . . .
H52A H 0.453332 0.841107 -0.092426 0.116 Uiso 1 1 calc R U . . .
H52B H 0.531221 0.896604 -0.069357 0.116 Uiso 1 1 calc R U . . .
C53 C 0.3991(5) 0.8791(5) 0.0146(3) 0.116(2) Uani 1 1 d . . . . .
H53A H 0.412966 0.821998 0.029422 0.139 Uiso 1 1 calc R U . . .
H53B H 0.423216 0.918827 0.043697 0.139 Uiso 1 1 calc R U . . .
C54 C 0.2074(5) 0.9567(3) 0.1911(4) 0.0908(16) Uani 1 1 d D . . . .
H54 H 0.170947 0.934026 0.240687 0.109 Uiso 0.467(14) 1 calc R U P B 1
H54A H 0.275323 0.980643 0.167460 0.109 Uiso 0.533(14) 1 calc R U P B 2
C55 C 0.1429(5) 1.0313(4) 0.1838(4) 0.1011(17) Uani 1 1 d . . . . .
H55A H 0.073389 1.012988 0.192181 0.121 Uiso 1 1 calc R U . . .
H55B H 0.168895 1.054430 0.133743 0.121 Uiso 1 1 calc R U . . .
C56 C 0.1431(9) 1.1000(6) 0.2392(6) 0.164(4) Uani 1 1 d D . . . .
H56A H 0.120716 1.153380 0.222717 0.197 Uiso 0.467(14) 1 calc R U P B 1
H56B H 0.093570 1.085398 0.286795 0.197 Uiso 0.467(14) 1 calc R U P B 1
H56C H 0.182252 1.146311 0.209777 0.197 Uiso 0.533(14) 1 calc R U P B 2
H56D H 0.072986 1.120796 0.258140 0.197 Uiso 0.533(14) 1 calc R U P B 2
C57 C 0.2354(13) 1.1123(9) 0.2491(12) 0.130(6) Uani 0.467(14) 1 d D . P B 1
H57A H 0.224930 1.150089 0.290971 0.156 Uiso 0.467(14) 1 calc R U P B 1
H57B H 0.279391 1.141323 0.205407 0.156 Uiso 0.467(14) 1 calc R U P B 1
C58 C 0.2887(19) 1.0373(11) 0.2618(13) 0.150(9) Uani 0.467(14) 1 d D . P B 1
H58A H 0.248025 1.008970 0.307082 0.180 Uiso 0.467(14) 1 calc R U P B 1
H58B H 0.353139 1.053160 0.267755 0.180 Uiso 0.467(14) 1 calc R U P B 1
C59 C 0.3084(9) 0.9767(7) 0.1956(9) 0.096(5) Uani 0.467(14) 1 d D . P B 1
H59A H 0.350029 1.003960 0.150074 0.115 Uiso 0.467(14) 1 calc R U P B 1
H59B H 0.343422 0.925169 0.203637 0.115 Uiso 0.467(14) 1 calc R U P B 1
C60 C 0.1997(3) 0.9609(3) 0.6271(2) 0.0600(9) Uani 1 1 d . . . . .
C61 C 0.2456(5) 1.0403(3) 0.6224(3) 0.0918(16) Uani 1 1 d . . . . .
H61 H 0.298055 1.045775 0.642743 0.110 Uiso 1 1 calc R U . . .
C62 C 0.2174(7) 1.1117(4) 0.5893(4) 0.121(3) Uani 1 1 d . . . . .
H62 H 0.250350 1.163051 0.588511 0.146 Uiso 1 1 calc R U . . .
C63 C 0.1436(7) 1.1072(6) 0.5585(4) 0.130(3) Uani 1 1 d . . . . .
H63 H 0.127089 1.154104 0.533912 0.156 Uiso 1 1 calc R U . . .
C64 C 0.0921(7) 1.0313(7) 0.5639(5) 0.148(3) Uani 1 1 d . . . . .
H64 H 0.037032 1.028098 0.545968 0.178 Uiso 1 1 calc R U . . .
C65 C 0.1224(5) 0.9597(4) 0.5960(3) 0.0941(16) Uani 1 1 d . . . . .
H65 H 0.088869 0.908699 0.596488 0.113 Uiso 1 1 calc R U . . .
C66 C 0.1704(3) 0.8851(2) 0.7592(2) 0.0542(8) Uani 1 1 d . . . . .
C67 C 0.1443(4) 0.9618(3) 0.7962(2) 0.0694(11) Uani 1 1 d . . . . .
H67 H 0.160784 1.012050 0.768744 0.083 Uiso 1 1 calc R U . . .
C68 C 0.0951(4) 0.9676(3) 0.8717(3) 0.0758(13) Uani 1 1 d . . . . .
H68 H 0.080308 1.020867 0.893973 0.091 Uiso 1 1 calc R U . . .
C69 C 0.0676(3) 0.8943(3) 0.9145(2) 0.0732(12) Uani 1 1 d . . . . .
H69 H 0.031818 0.897595 0.965131 0.088 Uiso 1 1 calc R U . . .
C70 C 0.0941(4) 0.8178(3) 0.8809(3) 0.0752(12) Uani 1 1 d . . . . .
H70 H 0.078590 0.767964 0.908979 0.090 Uiso 1 1 calc R U . . .
C71 C 0.1442(3) 0.8132(2) 0.8049(2) 0.0700(13) Uani 1 1 d . . . . .
H71 H 0.160958 0.759724 0.783436 0.084 Uiso 1 1 calc R U . . .
C72 C 0.2074(3) 0.7877(3) 0.6378(2) 0.0660(10) Uani 1 1 d . . . . .
C73 C 0.2814(5) 0.7306(3) 0.5970(4) 0.1012(19) Uani 1 1 d . . . . .
H73 H 0.349846 0.744470 0.586054 0.121 Uiso 1 1 calc R U . . .
C74 C 0.2575(9) 0.6539(5) 0.5718(5) 0.170(4) Uani 1 1 d . . . . .
H74 H 0.310030 0.616973 0.546124 0.204 Uiso 1 1 calc R U . . .
C75 C 0.1607(10) 0.6320(5) 0.5837(5) 0.158(4) Uani 1 1 d . . . . .
H75 H 0.145610 0.581871 0.563960 0.189 Uiso 1 1 calc R U . . .
C76 C 0.0836(7) 0.6846(5) 0.6254(4) 0.132(3) Uani 1 1 d . . . . .
H76 H 0.015806 0.668707 0.636112 0.158 Uiso 1 1 calc R U . . .
C77 C 0.1066(4) 0.7617(4) 0.6517(3) 0.0898(15) Uani 1 1 d . . . . .
H77 H 0.053394 0.796888 0.679295 0.108 Uiso 1 1 calc R U . . .
C78 C 0.3575(3) 0.8817(3) 0.6552(2) 0.0649(10) Uani 1 1 d . . . . .
C79 C 0.4008(4) 0.8561(3) 0.7084(3) 0.0800(13) Uani 1 1 d . . . . .
H79 H 0.357916 0.841277 0.755566 0.096 Uiso 1 1 calc R U . . .
C80 C 0.5064(5) 0.8517(5) 0.6939(4) 0.106(2) Uani 1 1 d . . . . .
H80 H 0.533014 0.833093 0.730682 0.127 Uiso 1 1 calc R U . . .
C81 C 0.5707(5) 0.8749(6) 0.6249(5) 0.123(3) Uani 1 1 d . . . . .
H81 H 0.641202 0.872530 0.614866 0.148 Uiso 1 1 calc R U . . .
C82 C 0.5309(4) 0.9015(5) 0.5716(4) 0.115(2) Uani 1 1 d . . . . .
H82 H 0.574139 0.917624 0.524938 0.138 Uiso 1 1 calc R U . . .
C83 C 0.4261(4) 0.9045(4) 0.5867(3) 0.0918(16) Uani 1 1 d . . . . .
H83 H 0.400440 0.922557 0.549341 0.110 Uiso 1 1 calc R U . . .
B1 B 0.2336(3) 0.8790(3) 0.6692(2) 0.0555(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.241(3) . ?
Dy1 O2 2.222(3) . ?
Dy1 O3 2.282(3) . ?
Dy1 O4 2.262(3) . ?
Dy1 N2 2.444(3) . ?
Dy1 N3 2.467(3) . ?
Dy1 N4 2.466(3) . ?
P1 O1 1.506(3) . ?
P1 C24 1.817(4) . ?
P1 C30 1.821(5) . ?
P1 C36 1.819(4) . ?
P2 O2 1.517(3) . ?
P2 C42 1.809(4) . ?
P2 C48 1.851(5) . ?
P2 C54 1.803(6) . ?
O3 C1 1.271(5) . ?
O4 C9 1.294(5) . ?
N1 N2 1.394(5) . ?
N1 C1 1.326(6) . ?
N2 C2 1.289(6) . ?
N3 C3 1.349(6) . ?
N3 C7 1.359(6) . ?
N4 N5 1.386(5) . ?
N4 C8 1.287(5) . ?
N5 C9 1.325(5) . ?
C1 C12 1.483(6) . ?
C2 C3 1.465(7) . ?
C2 C11 1.512(7) . ?
C3 C4 1.402(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.363(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(10) . ?
C5A H5AA 0.9700 . ?
C5A H5AB 0.9700 . ?
C5A C8A 1.456(19) . ?
C5A C28 1.355(15) . ?
C6 H6 0.9300 . ?
C6 C7 1.390(7) . ?
C6A H6AA 0.9700 . ?
C6A H6AB 0.9700 . ?
C6A C14A 1.528(16) . ?
C6A C54 1.482(12) . ?
C7 C8 1.472(7) . ?
C7A H7AA 0.9700 . ?
C7A H7AB 0.9700 . ?
C7A C10A 1.489(14) . ?
C7A C36 1.602(14) . ?
C8 C10 1.484(6) . ?
C8A H8AA 0.9700 . ?
C8A H8AB 0.9700 . ?
C8A C9A 1.553(13) . ?
C9 C18 1.470(6) . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A C24 1.456(9) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10A H10D 0.9700 . ?
C10A H10E 0.9700 . ?
C10A C11A 1.49(2) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11A H11D 0.9700 . ?
C11A H11E 0.9700 . ?
C11A C13A 1.466(16) . ?
C12 C13 1.390(6) . ?
C12 C17 1.378(7) . ?
C12A H12A 0.9700 . ?
C12A H12B 0.9700 . ?
C12A C13A 1.546(17) . ?
C12A C36 1.418(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.391(8) . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C14 H14 0.9300 . ?
C14 C15 1.353(10) . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C14A C15A 1.399(16) . ?
C15 H15 0.9300 . ?
C15 C16 1.378(10) . ?
C15A H15A 0.9700 . ?
C15A H15B 0.9700 . ?
C15A C56 1.422(15) . ?
C16 H16 0.9300 . ?
C16 C17 1.385(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.380(7) . ?
C18 C23 1.381(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.396(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.372(9) . ?
C21 H21 0.9300 . ?
C21 C22 1.348(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.386(8) . ?
C23 H23 0.9300 . ?
C24 H24A 0.9800 . ?
C24 H24 0.9800 . ?
C24 C25 1.505(11) . ?
C24 C29 1.449(8) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.614(14) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.534(18) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.327(17) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C28 H28D 0.9700 . ?
C28 C29 1.533(10) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30 0.9800 . ?
C30 C31 1.482(8) . ?
C30 C35 1.522(6) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.525(8) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.483(8) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.446(10) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.566(9) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9800 . ?
C36 H36 0.9800 . ?
C36 C37 1.522(10) . ?
C36 C41 1.452(9) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C38 1.535(10) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 C39 1.536(15) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.467(12) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.541(11) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42 0.9800 . ?
C42 C43 1.529(6) . ?
C42 C47 1.534(7) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 C44 1.523(8) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 C45 1.507(8) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 C46 1.509(8) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C46 C47 1.524(7) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 H48 0.9800 . ?
C48 C49 1.507(6) . ?
C48 C53 1.426(8) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 C50 1.527(8) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.439(9) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.494(8) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 C53 1.487(8) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54 0.9800 . ?
C54 H54A 0.9800 . ?
C54 C55 1.491(8) . ?
C54 C59 1.465(11) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C55 C56 1.516(11) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 H56C 0.9700 . ?
C56 H56D 0.9700 . ?
C56 C57 1.366(15) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.435(16) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 C59 1.538(17) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 C61 1.396(7) . ?
C60 C65 1.379(7) . ?
C60 B1 1.646(6) . ?
C61 H61 0.9300 . ?
C61 C62 1.389(9) . ?
C62 H62 0.9300 . ?
C62 C63 1.332(11) . ?
C63 H63 0.9300 . ?
C63 C64 1.384(12) . ?
C64 H64 0.9300 . ?
C64 C65 1.395(9) . ?
C65 H65 0.9300 . ?
C66 C67 1.384(6) . ?
C66 C71 1.394(5) . ?
C66 B1 1.654(6) . ?
C67 H67 0.9300 . ?
C67 C68 1.379(6) . ?
C68 H68 0.9300 . ?
C68 C69 1.387(7) . ?
C69 H69 0.9300 . ?
C69 C70 1.355(7) . ?
C70 H70 0.9300 . ?
C70 C71 1.388(6) . ?
C71 H71 0.9300 . ?
C72 C73 1.387(7) . ?
C72 C77 1.398(7) . ?
C72 B1 1.648(6) . ?
C73 H73 0.9300 . ?
C73 C74 1.383(9) . ?
C74 H74 0.9300 . ?
C74 C75 1.334(14) . ?
C75 H75 0.9300 . ?
C75 C76 1.372(12) . ?
C76 H76 0.9300 . ?
C76 C77 1.396(8) . ?
C77 H77 0.9300 . ?
C78 C79 1.383(6) . ?
C78 C83 1.388(7) . ?
C78 B1 1.646(6) . ?
C79 H79 0.9300 . ?
C79 C80 1.396(7) . ?
C80 H80 0.9300 . ?
C80 C81 1.375(10) . ?
C81 H81 0.9300 . ?
C81 C82 1.358(10) . ?
C82 H82 0.9300 . ?
C82 C83 1.383(8) . ?
C83 H83 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O3 93.17(10) . . ?
O1 Dy1 O4 90.55(10) . . ?
O1 Dy1 N2 89.88(11) . . ?
O1 Dy1 N3 85.95(11) . . ?
O1 Dy1 N4 86.28(11) . . ?
O2 Dy1 O1 175.33(10) . . ?
O2 Dy1 O3 88.74(11) . . ?
O2 Dy1 O4 93.28(11) . . ?
O2 Dy1 N2 87.06(12) . . ?
O2 Dy1 N3 89.56(12) . . ?
O2 Dy1 N4 92.92(11) . . ?
O3 Dy1 N2 65.11(11) . . ?
O3 Dy1 N3 129.81(11) . . ?
O3 Dy1 N4 165.84(11) . . ?
O4 Dy1 O3 100.74(9) . . ?
O4 Dy1 N2 165.84(11) . . ?
O4 Dy1 N3 129.43(11) . . ?
O4 Dy1 N4 65.14(10) . . ?
N2 Dy1 N3 64.71(12) . . ?
N2 Dy1 N4 129.00(12) . . ?
N4 Dy1 N3 64.30(12) . . ?
O1 P1 C24 109.3(2) . . ?
O1 P1 C30 108.60(18) . . ?
O1 P1 C36 109.2(2) . . ?
C24 P1 C30 111.5(2) . . ?
C24 P1 C36 108.7(2) . . ?
C36 P1 C30 109.5(2) . . ?
O2 P2 C42 110.50(17) . . ?
O2 P2 C48 108.7(2) . . ?
O2 P2 C54 108.5(2) . . ?
C42 P2 C48 107.2(2) . . ?
C54 P2 C42 109.6(3) . . ?
C54 P2 C48 112.3(3) . . ?
P1 O1 Dy1 170.20(18) . . ?
P2 O2 Dy1 177.51(19) . . ?
C1 O3 Dy1 120.9(3) . . ?
C9 O4 Dy1 121.9(2) . . ?
C1 N1 N2 109.2(3) . . ?
N1 N2 Dy1 118.6(3) . . ?
C2 N2 Dy1 123.5(3) . . ?
C2 N2 N1 117.6(4) . . ?
C3 N3 Dy1 119.4(3) . . ?
C3 N3 C7 120.6(4) . . ?
C7 N3 Dy1 119.9(3) . . ?
N5 N4 Dy1 118.0(2) . . ?
C8 N4 Dy1 124.1(3) . . ?
C8 N4 N5 117.7(3) . . ?
C9 N5 N4 110.2(3) . . ?
O3 C1 N1 125.9(4) . . ?
O3 C1 C12 118.0(4) . . ?
N1 C1 C12 116.1(4) . . ?
N2 C2 C3 115.3(4) . . ?
N2 C2 C11 123.3(5) . . ?
C3 C2 C11 121.4(5) . . ?
N3 C3 C2 117.0(4) . . ?
N3 C3 C4 119.8(5) . . ?
C4 C3 C2 123.2(5) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.5(6) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(5) . . ?
C6 C5 H5 119.7 . . ?
H5AA C5A H5AB 108.4 . . ?
C8A C5A H5AA 110.0 . . ?
C8A C5A H5AB 110.0 . . ?
C28 C5A H5AA 110.0 . . ?
C28 C5A H5AB 110.0 . . ?
C28 C5A C8A 108.5(14) . . ?
C5 C6 H6 120.5 . . ?
C5 C6 C7 118.9(6) . . ?
C7 C6 H6 120.5 . . ?
H6AA C6A H6AB 107.4 . . ?
C14A C6A H6AA 108.2 . . ?
C14A C6A H6AB 108.2 . . ?
C54 C6A H6AA 108.2 . . ?
C54 C6A H6AB 108.2 . . ?
C54 C6A C14A 116.2(12) . . ?
N3 C7 C6 120.6(5) . . ?
N3 C7 C8 116.9(4) . . ?
C6 C7 C8 122.5(5) . . ?
H7AA C7A H7AB 107.5 . . ?
C10A C7A H7AA 108.5 . . ?
C10A C7A H7AB 108.5 . . ?
C10A C7A C36 114.9(13) . . ?
C36 C7A H7AA 108.5 . . ?
C36 C7A H7AB 108.5 . . ?
N4 C8 C7 114.6(4) . . ?
N4 C8 C10 125.2(5) . . ?
C7 C8 C10 120.2(4) . . ?
C5A C8A H8AA 107.1 . . ?
C5A C8A H8AB 107.1 . . ?
C5A C8A C9A 120.9(11) . . ?
H8AA C8A H8AB 106.8 . . ?
C9A C8A H8AA 107.1 . . ?
C9A C8A H8AB 107.1 . . ?
O4 C9 N5 124.7(4) . . ?
O4 C9 C18 118.7(4) . . ?
N5 C9 C18 116.6(4) . . ?
C8A C9A H9AA 108.6 . . ?
C8A C9A H9AB 108.6 . . ?
H9AA C9A H9AB 107.5 . . ?
C24 C9A C8A 114.8(9) . . ?
C24 C9A H9AA 108.6 . . ?
C24 C9A H9AB 108.6 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7A C10A H10D 109.0 . . ?
C7A C10A H10E 109.0 . . ?
H10D C10A H10E 107.8 . . ?
C11A C10A C7A 112.9(17) . . ?
C11A C10A H10D 109.0 . . ?
C11A C10A H10E 109.0 . . ?
C2 C11 H11A 109.5 . . ?
C2 C11 H11B 109.5 . . ?
C2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10A C11A H11D 109.1 . . ?
C10A C11A H11E 109.1 . . ?
H11D C11A H11E 107.8 . . ?
C13A C11A C10A 112.7(19) . . ?
C13A C11A H11D 109.1 . . ?
C13A C11A H11E 109.1 . . ?
C13 C12 C1 121.8(5) . . ?
C17 C12 C1 119.6(4) . . ?
C17 C12 C13 118.5(4) . . ?
H12A C12A H12B 108.0 . . ?
C13A C12A H12A 109.4 . . ?
C13A C12A H12B 109.4 . . ?
C36 C12A H12A 109.4 . . ?
C36 C12A H12B 109.4 . . ?
C36 C12A C13A 111.1(14) . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.1(6) . . ?
C14 C13 H13 120.0 . . ?
C11A C13A C12A 113.2(16) . . ?
C11A C13A H13A 108.9 . . ?
C11A C13A H13B 108.9 . . ?
C12A C13A H13A 108.9 . . ?
C12A C13A H13B 108.9 . . ?
H13A C13A H13B 107.8 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.7(6) . . ?
C15 C14 H14 119.6 . . ?
C6A C14A H14A 108.6 . . ?
C6A C14A H14B 108.6 . . ?
H14A C14A H14B 107.6 . . ?
C15A C14A C6A 114.5(14) . . ?
C15A C14A H14A 108.6 . . ?
C15A C14A H14B 108.6 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.8(6) . . ?
C16 C15 H15 120.1 . . ?
C14A C15A H15A 108.1 . . ?
C14A C15A H15B 108.1 . . ?
C14A C15A C56 116.9(12) . . ?
H15A C15A H15B 107.3 . . ?
C56 C15A H15A 108.1 . . ?
C56 C15A H15B 108.1 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(7) . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 120.7(5) . . ?
C12 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C9 119.5(4) . . ?
C19 C18 C23 118.0(4) . . ?
C23 C18 C9 122.6(4) . . ?
C18 C19 H19 119.1 . . ?
C18 C19 C20 121.7(5) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 H20 120.7 . . ?
C21 C20 C19 118.7(6) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.1(5) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 119.2 . . ?
C21 C22 C23 121.6(6) . . ?
C23 C22 H22 119.2 . . ?
C18 C23 C22 119.9(6) . . ?
C18 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
P1 C24 H24A 100.5 . . ?
P1 C24 H24 107.2 . . ?
C9A C24 P1 124.4(5) . . ?
C9A C24 H24A 100.5 . . ?
C25 C24 P1 110.1(5) . . ?
C25 C24 H24 107.2 . . ?
C29 C24 P1 112.7(4) . . ?
C29 C24 C9A 113.1(6) . . ?
C29 C24 H24A 100.5 . . ?
C29 C24 H24 107.2 . . ?
C29 C24 C25 112.2(7) . . ?
C24 C25 H25A 110.3 . . ?
C24 C25 H25B 110.3 . . ?
C24 C25 C26 107.0(9) . . ?
H25A C25 H25B 108.6 . . ?
C26 C25 H25A 110.3 . . ?
C26 C25 H25B 110.3 . . ?
C25 C26 H26A 111.8 . . ?
C25 C26 H26B 111.8 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 C25 100.0(10) . . ?
C27 C26 H26A 111.8 . . ?
C27 C26 H26B 111.8 . . ?
C26 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
C28 C27 C26 110.2(14) . . ?
C28 C27 H27A 109.6 . . ?
C28 C27 H27B 109.6 . . ?
C5A C28 H28C 105.7 . . ?
C5A C28 H28D 105.7 . . ?
C5A C28 C29 126.6(10) . . ?
C27 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
C27 C28 C29 110.3(11) . . ?
H28A C28 H28B 108.1 . . ?
H28C C28 H28D 106.1 . . ?
C29 C28 H28A 109.6 . . ?
C29 C28 H28B 109.6 . . ?
C29 C28 H28C 105.7 . . ?
C29 C28 H28D 105.7 . . ?
C24 C29 C28 112.8(6) . . ?
C24 C29 H29A 109.0 . . ?
C24 C29 H29B 109.0 . . ?
C28 C29 H29A 109.0 . . ?
C28 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
P1 C30 H30 103.0 . . ?
C31 C30 P1 115.1(3) . . ?
C31 C30 H30 103.0 . . ?
C31 C30 C35 114.0(5) . . ?
C35 C30 P1 116.2(4) . . ?
C35 C30 H30 103.0 . . ?
C30 C31 H31A 109.1 . . ?
C30 C31 H31B 109.1 . . ?
C30 C31 C32 112.7(6) . . ?
H31A C31 H31B 107.8 . . ?
C32 C31 H31A 109.1 . . ?
C32 C31 H31B 109.1 . . ?
C31 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C33 C32 C31 112.3(5) . . ?
C33 C32 H32A 109.2 . . ?
C33 C32 H32B 109.2 . . ?
C32 C33 H33A 109.2 . . ?
C32 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C34 C33 C32 112.2(6) . . ?
C34 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
C33 C34 H34A 108.2 . . ?
C33 C34 H34B 108.2 . . ?
C33 C34 C35 116.4(5) . . ?
H34A C34 H34B 107.3 . . ?
C35 C34 H34A 108.2 . . ?
C35 C34 H34B 108.2 . . ?
C30 C35 C34 109.9(5) . . ?
C30 C35 H35A 109.7 . . ?
C30 C35 H35B 109.7 . . ?
C34 C35 H35A 109.7 . . ?
C34 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
P1 C36 H36A 104.4 . . ?
P1 C36 H36 104.5 . . ?
C7A C36 P1 107.0(6) . . ?
C7A C36 H36A 104.4 . . ?
C12A C36 P1 127.6(7) . . ?
C12A C36 C7A 106.8(10) . . ?
C12A C36 H36A 104.4 . . ?
C37 C36 P1 114.9(4) . . ?
C37 C36 H36 104.5 . . ?
C41 C36 P1 111.8(4) . . ?
C41 C36 H36 104.5 . . ?
C41 C36 C37 115.3(7) . . ?
C36 C37 H37A 109.6 . . ?
C36 C37 H37B 109.6 . . ?
C36 C37 C38 110.3(7) . . ?
H37A C37 H37B 108.1 . . ?
C38 C37 H37A 109.6 . . ?
C38 C37 H37B 109.6 . . ?
C37 C38 H38A 109.7 . . ?
C37 C38 H38B 109.7 . . ?
C37 C38 C39 109.7(10) . . ?
H38A C38 H38B 108.2 . . ?
C39 C38 H38A 109.7 . . ?
C39 C38 H38B 109.7 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 108.1 . . ?
C40 C39 C38 110.8(9) . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C39 C40 H40A 109.9 . . ?
C39 C40 H40B 109.9 . . ?
C39 C40 C41 108.9(9) . . ?
H40A C40 H40B 108.3 . . ?
C41 C40 H40A 109.9 . . ?
C41 C40 H40B 109.9 . . ?
C36 C41 C40 113.1(8) . . ?
C36 C41 H41A 109.0 . . ?
C36 C41 H41B 109.0 . . ?
C40 C41 H41A 109.0 . . ?
C40 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
P2 C42 H42 108.1 . . ?
C43 C42 P2 112.5(3) . . ?
C43 C42 H42 108.1 . . ?
C43 C42 C47 108.9(4) . . ?
C47 C42 P2 111.1(3) . . ?
C47 C42 H42 108.1 . . ?
C42 C43 H43A 109.2 . . ?
C42 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?
C44 C43 C42 111.9(5) . . ?
C44 C43 H43A 109.2 . . ?
C44 C43 H43B 109.2 . . ?
C43 C44 H44A 109.3 . . ?
C43 C44 H44B 109.3 . . ?
H44A C44 H44B 108.0 . . ?
C45 C44 C43 111.6(4) . . ?
C45 C44 H44A 109.3 . . ?
C45 C44 H44B 109.3 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 C46 110.5(4) . . ?
H45A C45 H45B 108.1 . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
C45 C46 H46A 109.3 . . ?
C45 C46 H46B 109.3 . . ?
C45 C46 C47 111.5(5) . . ?
H46A C46 H46B 108.0 . . ?
C47 C46 H46A 109.3 . . ?
C47 C46 H46B 109.3 . . ?
C42 C47 H47A 109.2 . . ?
C42 C47 H47B 109.2 . . ?
C46 C47 C42 111.9(4) . . ?
C46 C47 H47A 109.2 . . ?
C46 C47 H47B 109.2 . . ?
H47A C47 H47B 107.9 . . ?
P2 C48 H48 102.5 . . ?
C49 C48 P2 114.9(3) . . ?
C49 C48 H48 102.5 . . ?
C53 C48 P2 115.6(4) . . ?
C53 C48 H48 102.5 . . ?
C53 C48 C49 115.8(4) . . ?
C48 C49 H49A 109.6 . . ?
C48 C49 H49B 109.6 . . ?
C48 C49 C50 110.3(4) . . ?
H49A C49 H49B 108.1 . . ?
C50 C49 H49A 109.6 . . ?
C50 C49 H49B 109.6 . . ?
C49 C50 H50A 108.1 . . ?
C49 C50 H50B 108.1 . . ?
H50A C50 H50B 107.3 . . ?
C51 C50 C49 116.6(5) . . ?
C51 C50 H50A 108.1 . . ?
C51 C50 H50B 108.1 . . ?
C50 C51 H51A 108.8 . . ?
C50 C51 H51B 108.8 . . ?
C50 C51 C52 113.6(6) . . ?
H51A C51 H51B 107.7 . . ?
C52 C51 H51A 108.8 . . ?
C52 C51 H51B 108.8 . . ?
C51 C52 H52A 108.8 . . ?
C51 C52 H52B 108.8 . . ?
H52A C52 H52B 107.7 . . ?
C53 C52 C51 113.6(5) . . ?
C53 C52 H52A 108.8 . . ?
C53 C52 H52B 108.8 . . ?
C48 C53 C52 116.2(5) . . ?
C48 C53 H53A 108.2 . . ?
C48 C53 H53B 108.2 . . ?
C52 C53 H53A 108.2 . . ?
C52 C53 H53B 108.2 . . ?
H53A C53 H53B 107.4 . . ?
P2 C54 H54 103.3 . . ?
P2 C54 H54A 99.5 . . ?
C6A C54 P2 118.9(6) . . ?
C6A C54 H54A 99.5 . . ?
C6A C54 C55 114.8(8) . . ?
C55 C54 P2 118.3(5) . . ?
C55 C54 H54 103.3 . . ?
C55 C54 H54A 99.5 . . ?
C59 C54 P2 110.4(6) . . ?
C59 C54 H54 103.3 . . ?
C59 C54 C55 115.8(6) . . ?
C54 C55 H55A 109.4 . . ?
C54 C55 H55B 109.4 . . ?
C54 C55 C56 111.0(6) . . ?
H55A C55 H55B 108.0 . . ?
C56 C55 H55A 109.4 . . ?
C56 C55 H55B 109.4 . . ?
C15A C56 C55 127.6(9) . . ?
C15A C56 H56C 105.4 . . ?
C15A C56 H56D 105.4 . . ?
C55 C56 H56A 108.6 . . ?
C55 C56 H56B 108.6 . . ?
C55 C56 H56C 105.4 . . ?
C55 C56 H56D 105.4 . . ?
H56A C56 H56B 107.5 . . ?
H56C C56 H56D 106.0 . . ?
C57 C56 C55 114.8(10) . . ?
C57 C56 H56A 108.6 . . ?
C57 C56 H56B 108.6 . . ?
C56 C57 H57A 108.1 . . ?
C56 C57 H57B 108.1 . . ?
C56 C57 C58 116.6(13) . . ?
H57A C57 H57B 107.3 . . ?
C58 C57 H57A 108.1 . . ?
C58 C57 H57B 108.1 . . ?
C57 C58 H58A 109.8 . . ?
C57 C58 H58B 109.8 . . ?
C57 C58 C59 109.5(13) . . ?
H58A C58 H58B 108.2 . . ?
C59 C58 H58A 109.8 . . ?
C59 C58 H58B 109.8 . . ?
C54 C59 C58 105.7(11) . . ?
C54 C59 H59A 110.6 . . ?
C54 C59 H59B 110.6 . . ?
C58 C59 H59A 110.6 . . ?
C58 C59 H59B 110.6 . . ?
H59A C59 H59B 108.7 . . ?
C61 C60 B1 122.0(4) . . ?
C65 C60 C61 113.6(5) . . ?
C65 C60 B1 124.4(4) . . ?
C60 C61 H61 118.1 . . ?
C62 C61 C60 123.8(6) . . ?
C62 C61 H61 118.1 . . ?
C61 C62 H62 119.7 . . ?
C63 C62 C61 120.6(7) . . ?
C63 C62 H62 119.7 . . ?
C62 C63 H63 120.7 . . ?
C62 C63 C64 118.5(7) . . ?
C64 C63 H63 120.7 . . ?
C63 C64 H64 119.9 . . ?
C63 C64 C65 120.2(8) . . ?
C65 C64 H64 119.9 . . ?
C60 C65 C64 123.1(7) . . ?
C60 C65 H65 118.5 . . ?
C64 C65 H65 118.5 . . ?
C67 C66 C71 114.4(4) . . ?
C67 C66 B1 122.9(4) . . ?
C71 C66 B1 122.6(3) . . ?
C66 C67 H67 118.3 . . ?
C68 C67 C66 123.4(4) . . ?
C68 C67 H67 118.3 . . ?
C67 C68 H68 119.9 . . ?
C67 C68 C69 120.2(4) . . ?
C69 C68 H68 119.9 . . ?
C68 C69 H69 120.8 . . ?
C70 C69 C68 118.4(4) . . ?
C70 C69 H69 120.8 . . ?
C69 C70 H70 119.7 . . ?
C69 C70 C71 120.6(4) . . ?
C71 C70 H70 119.7 . . ?
C66 C71 H71 118.5 . . ?
C70 C71 C66 123.0(4) . . ?
C70 C71 H71 118.5 . . ?
C73 C72 C77 114.8(5) . . ?
C73 C72 B1 123.8(4) . . ?
C77 C72 B1 121.5(4) . . ?
C72 C73 H73 118.6 . . ?
C74 C73 C72 122.7(7) . . ?
C74 C73 H73 118.6 . . ?
C73 C74 H74 119.4 . . ?
C75 C74 C73 121.3(9) . . ?
C75 C74 H74 119.4 . . ?
C74 C75 H75 120.5 . . ?
C74 C75 C76 119.0(7) . . ?
C76 C75 H75 120.5 . . ?
C75 C76 H76 119.9 . . ?
C75 C76 C77 120.2(7) . . ?
C77 C76 H76 119.9 . . ?
C72 C77 H77 119.0 . . ?
C76 C77 C72 121.9(6) . . ?
C76 C77 H77 119.0 . . ?
C79 C78 C83 115.5(4) . . ?
C79 C78 B1 122.8(4) . . ?
C83 C78 B1 121.5(4) . . ?
C78 C79 H79 118.8 . . ?
C78 C79 C80 122.4(5) . . ?
C80 C79 H79 118.8 . . ?
C79 C80 H80 120.2 . . ?
C81 C80 C79 119.5(6) . . ?
C81 C80 H80 120.2 . . ?
C80 C81 H81 120.1 . . ?
C82 C81 C80 119.7(6) . . ?
C82 C81 H81 120.1 . . ?
C81 C82 H82 120.0 . . ?
C81 C82 C83 119.9(6) . . ?
C83 C82 H82 120.0 . . ?
C78 C83 H83 118.5 . . ?
C82 C83 C78 122.9(6) . . ?
C82 C83 H83 118.5 . . ?
C60 B1 C66 108.5(3) . . ?
C60 B1 C72 111.7(3) . . ?
C60 B1 C78 109.4(3) . . ?
C72 B1 C66 108.9(3) . . ?
C78 B1 C66 109.8(3) . . ?
C78 B1 C72 108.5(3) . . ?

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
Dy1 O3 C1 N1 -5.8(5) . . . . ?
Dy1 O3 C1 C12 171.7(2) . . . . ?
Dy1 O4 C9 N5 -2.7(5) . . . . ?
Dy1 O4 C9 C18 176.7(2) . . . . ?
Dy1 N2 C2 C3 -4.0(6) . . . . ?
Dy1 N2 C2 C11 175.4(5) . . . . ?
Dy1 N3 C3 C2 2.6(6) . . . . ?
Dy1 N3 C3 C4 -178.0(5) . . . . ?
Dy1 N3 C7 C6 177.2(4) . . . . ?
Dy1 N3 C7 C8 -3.0(5) . . . . ?
Dy1 N4 N5 C9 2.5(4) . . . . ?
Dy1 N4 C8 C7 -4.2(5) . . . . ?
Dy1 N4 C8 C10 175.3(4) . . . . ?
P1 C24 C25 C26 -177.0(8) . . . . ?
P1 C24 C29 C28 -172.6(7) . . . . ?
P1 C30 C31 C32 170.4(5) . . . . ?
P1 C30 C35 C34 -176.4(5) . . . . ?
P1 C36 C37 C38 -179.1(8) . . . . ?
P1 C36 C41 C40 176.7(7) . . . . ?
P2 C42 C43 C44 -178.8(3) . . . . ?
P2 C42 C47 C46 179.5(3) . . . . ?
P2 C48 C49 C50 -176.6(4) . . . . ?
P2 C48 C53 C52 175.6(5) . . . . ?
P2 C54 C55 C56 178.9(6) . . . . ?
P2 C54 C59 C58 -165.8(10) . . . . ?
O1 P1 C24 C9A -158.6(7) . . . . ?
O1 P1 C24 C25 -67.9(7) . . . . ?
O1 P1 C24 C29 58.2(5) . . . . ?
O1 P1 C30 C31 -32.7(5) . . . . ?
O1 P1 C30 C35 -169.8(4) . . . . ?
O1 P1 C36 C7A -45.1(9) . . . . ?
O1 P1 C36 C12A -173.3(12) . . . . ?
O1 P1 C36 C37 -82.0(7) . . . . ?
O1 P1 C36 C41 51.8(6) . . . . ?
O2 P2 C42 C43 62.6(4) . . . . ?
O2 P2 C42 C47 -59.8(3) . . . . ?
O2 P2 C48 C49 -174.1(4) . . . . ?
O2 P2 C48 C53 -35.0(6) . . . . ?
O2 P2 C54 C6A -21.6(14) . . . . ?
O2 P2 C54 C55 -169.0(5) . . . . ?
O2 P2 C54 C59 54.3(8) . . . . ?
O3 C1 C12 C13 165.5(4) . . . . ?
O3 C1 C12 C17 -15.9(6) . . . . ?
O4 C9 C18 C19 -3.7(6) . . . . ?
O4 C9 C18 C23 177.1(4) . . . . ?
N1 N2 C2 C3 -177.2(4) . . . . ?
N1 N2 C2 C11 2.2(8) . . . . ?
N1 C1 C12 C13 -16.7(6) . . . . ?
N1 C1 C12 C17 161.8(4) . . . . ?
N2 N1 C1 O3 1.8(6) . . . . ?
N2 N1 C1 C12 -175.8(3) . . . . ?
N2 C2 C3 N3 0.8(7) . . . . ?
N2 C2 C3 C4 -178.6(6) . . . . ?
N3 C3 C4 C5 2.1(11) . . . . ?
N3 C7 C8 N4 4.6(6) . . . . ?
N3 C7 C8 C10 -174.9(4) . . . . ?
N4 N5 C9 O4 0.0(5) . . . . ?
N4 N5 C9 C18 -179.5(3) . . . . ?
N5 N4 C8 C7 -179.1(4) . . . . ?
N5 N4 C8 C10 0.4(6) . . . . ?
N5 C9 C18 C19 175.8(4) . . . . ?
N5 C9 C18 C23 -3.4(6) . . . . ?
C1 N1 N2 Dy1 2.7(4) . . . . ?
C1 N1 N2 C2 176.2(4) . . . . ?
C1 C12 C13 C14 178.1(5) . . . . ?
C1 C12 C17 C16 -178.0(4) . . . . ?
C2 C3 C4 C5 -178.6(7) . . . . ?
C3 N3 C7 C6 0.8(7) . . . . ?
C3 N3 C7 C8 -179.5(4) . . . . ?
C3 C4 C5 C6 -1.9(14) . . . . ?
C4 C5 C6 C7 1.1(13) . . . . ?
C5 C6 C7 N3 -0.6(10) . . . . ?
C5 C6 C7 C8 179.7(6) . . . . ?
C5A C8A C9A C24 4(3) . . . . ?
C5A C28 C29 C24 0(3) . . . . ?
C6 C7 C8 N4 -175.7(5) . . . . ?
C6 C7 C8 C10 4.8(7) . . . . ?
C6A C14A C15A C56 -28(3) . . . . ?
C6A C54 C55 C56 30.2(14) . . . . ?
C7 N3 C3 C2 179.1(4) . . . . ?
C7 N3 C3 C4 -1.5(8) . . . . ?
C7A C10A C11A C13A -46(4) . . . . ?
C8 N4 N5 C9 177.6(4) . . . . ?
C8A C5A C28 C29 -35(3) . . . . ?
C8A C9A C24 P1 175.6(11) . . . . ?
C8A C9A C24 C29 -41.3(14) . . . . ?
C9 C18 C19 C20 -178.4(5) . . . . ?
C9 C18 C23 C22 -179.7(5) . . . . ?
C9A C24 C29 C28 39.9(11) . . . . ?
C10A C7A C36 P1 166.6(16) . . . . ?
C10A C7A C36 C12A -54(2) . . . . ?
C10A C11A C13A C12A 52(4) . . . . ?
C11 C2 C3 N3 -178.7(6) . . . . ?
C11 C2 C3 C4 2.0(10) . . . . ?
C12 C13 C14 C15 -0.1(9) . . . . ?
C13 C12 C17 C16 0.6(7) . . . . ?
C13 C14 C15 C16 0.4(10) . . . . ?
C13A C12A C36 P1 -173.8(12) . . . . ?
C13A C12A C36 C7A 57.9(19) . . . . ?
C14 C15 C16 C17 -0.3(10) . . . . ?
C14A C6A C54 P2 163.6(15) . . . . ?
C14A C6A C54 C55 -48(2) . . . . ?
C14A C15A C56 C55 14(3) . . . . ?
C15 C16 C17 C12 -0.3(8) . . . . ?
C17 C12 C13 C14 -0.5(7) . . . . ?
C18 C19 C20 C21 -2.5(9) . . . . ?
C19 C18 C23 C22 1.0(8) . . . . ?
C19 C20 C21 C22 2.3(10) . . . . ?
C20 C21 C22 C23 -0.5(10) . . . . ?
C21 C22 C23 C18 -1.2(10) . . . . ?
C23 C18 C19 C20 0.8(8) . . . . ?
C24 P1 C30 C31 87.8(5) . . . . ?
C24 P1 C30 C35 -49.3(5) . . . . ?
C24 P1 C36 C7A -164.3(9) . . . . ?
C24 P1 C36 C12A 67.6(12) . . . . ?
C24 P1 C36 C37 158.8(7) . . . . ?
C24 P1 C36 C41 -67.4(6) . . . . ?
C24 C25 C26 C27 -64.3(15) . . . . ?
C25 C24 C29 C28 -47.8(11) . . . . ?
C25 C26 C27 C28 73.5(17) . . . . ?
C26 C27 C28 C29 -67.7(16) . . . . ?
C27 C28 C29 C24 52.6(15) . . . . ?
C28 C5A C8A C9A 32(3) . . . . ?
C29 C24 C25 C26 56.6(11) . . . . ?
C30 P1 C24 C9A 81.3(7) . . . . ?
C30 P1 C24 C25 172.1(7) . . . . ?
C30 P1 C24 C29 -61.9(5) . . . . ?
C30 P1 C36 C7A 73.6(9) . . . . ?
C30 P1 C36 C12A -54.5(12) . . . . ?
C30 P1 C36 C37 36.7(7) . . . . ?
C30 P1 C36 C41 170.5(6) . . . . ?
C30 C31 C32 C33 54.0(9) . . . . ?
C31 C30 C35 C34 46.0(8) . . . . ?
C31 C32 C33 C34 -53.0(10) . . . . ?
C32 C33 C34 C35 50.6(11) . . . . ?
C33 C34 C35 C30 -46.4(10) . . . . ?
C35 C30 C31 C32 -51.6(8) . . . . ?
C36 P1 C24 C9A -39.5(7) . . . . ?
C36 P1 C24 C25 51.2(7) . . . . ?
C36 P1 C24 C29 177.3(5) . . . . ?
C36 P1 C30 C31 -151.8(5) . . . . ?
C36 P1 C30 C35 71.1(5) . . . . ?
C36 C7A C10A C11A 47(3) . . . . ?
C36 C12A C13A C11A -61(3) . . . . ?
C36 C37 C38 C39 -52.5(13) . . . . ?
C37 C36 C41 C40 -49.7(12) . . . . ?
C37 C38 C39 C40 61.6(13) . . . . ?
C38 C39 C40 C41 -60.8(13) . . . . ?
C39 C40 C41 C36 55.0(13) . . . . ?
C41 C36 C37 C38 48.7(13) . . . . ?
C42 P2 C48 C49 66.5(4) . . . . ?
C42 P2 C48 C53 -154.5(5) . . . . ?
C42 P2 C54 C6A 99.2(13) . . . . ?
C42 P2 C54 C55 -48.3(6) . . . . ?
C42 P2 C54 C59 175.1(7) . . . . ?
C42 C43 C44 C45 56.7(6) . . . . ?
C43 C42 C47 C46 55.1(5) . . . . ?
C43 C44 C45 C46 -56.0(7) . . . . ?
C44 C45 C46 C47 55.9(6) . . . . ?
C45 C46 C47 C42 -56.5(6) . . . . ?
C47 C42 C43 C44 -55.1(5) . . . . ?
C48 P2 C42 C43 -179.1(3) . . . . ?
C48 P2 C42 C47 58.5(3) . . . . ?
C48 P2 C54 C6A -141.8(13) . . . . ?
C48 P2 C54 C55 70.7(6) . . . . ?
C48 P2 C54 C59 -65.9(8) . . . . ?
C48 C49 C50 C51 -46.1(9) . . . . ?
C49 C48 C53 C52 -45.7(9) . . . . ?
C49 C50 C51 C52 47.2(10) . . . . ?
C50 C51 C52 C53 -44.4(10) . . . . ?
C51 C52 C53 C48 44.4(10) . . . . ?
C53 C48 C49 C50 44.5(8) . . . . ?
C54 P2 C42 C43 -56.9(4) . . . . ?
C54 P2 C42 C47 -179.3(3) . . . . ?
C54 P2 C48 C49 -54.0(5) . . . . ?
C54 P2 C48 C53 85.1(6) . . . . ?
C54 C6A C14A C15A 46(3) . . . . ?
C54 C55 C56 C15A -15(2) . . . . ?
C54 C55 C56 C57 39.6(15) . . . . ?
C55 C54 C59 C58 56.3(13) . . . . ?
C55 C56 C57 C58 -49(2) . . . . ?
C56 C57 C58 C59 59(2) . . . . ?
C57 C58 C59 C54 -59(2) . . . . ?
C59 C54 C55 C56 -46.7(11) . . . . ?
C60 C61 C62 C63 -0.9(11) . . . . ?
C61 C60 C65 C64 -0.8(9) . . . . ?
C61 C60 B1 C66 84.3(5) . . . . ?
C61 C60 B1 C72 -155.6(4) . . . . ?
C61 C60 B1 C78 -35.5(5) . . . . ?
C61 C62 C63 C64 3.4(13) . . . . ?
C62 C63 C64 C65 -4.7(14) . . . . ?
C63 C64 C65 C60 3.5(13) . . . . ?
C65 C60 C61 C62 -0.5(8) . . . . ?
C65 C60 B1 C66 -93.1(5) . . . . ?
C65 C60 B1 C72 27.0(6) . . . . ?
C65 C60 B1 C78 147.1(4) . . . . ?
C66 C67 C68 C69 -1.1(7) . . . . ?
C67 C66 C71 C70 1.3(6) . . . . ?
C67 C66 B1 C60 -33.3(5) . . . . ?
C67 C66 B1 C72 -155.1(4) . . . . ?
C67 C66 B1 C78 86.2(5) . . . . ?
C67 C68 C69 C70 2.7(7) . . . . ?
C68 C69 C70 C71 -2.4(7) . . . . ?
C69 C70 C71 C66 0.3(7) . . . . ?
C71 C66 C67 C68 -0.9(7) . . . . ?
C71 C66 B1 C60 150.4(4) . . . . ?
C71 C66 B1 C72 28.6(5) . . . . ?
C71 C66 B1 C78 -90.0(5) . . . . ?
C72 C73 C74 C75 2.3(14) . . . . ?
C73 C72 C77 C76 -0.7(8) . . . . ?
C73 C72 B1 C60 112.0(5) . . . . ?
C73 C72 B1 C66 -128.2(5) . . . . ?
C73 C72 B1 C78 -8.7(6) . . . . ?
C73 C74 C75 C76 -3.8(16) . . . . ?
C74 C75 C76 C77 3.1(14) . . . . ?
C75 C76 C77 C72 -0.9(11) . . . . ?
C77 C72 C73 C74 0.1(10) . . . . ?
C77 C72 B1 C60 -68.8(5) . . . . ?
C77 C72 B1 C66 51.0(6) . . . . ?
C77 C72 B1 C78 170.5(4) . . . . ?
C78 C79 C80 C81 1.3(10) . . . . ?
C79 C78 C83 C82 0.5(9) . . . . ?
C79 C78 B1 C60 144.4(4) . . . . ?
C79 C78 B1 C66 25.4(6) . . . . ?
C79 C78 B1 C72 -93.6(5) . . . . ?
C79 C80 C81 C82 -0.4(12) . . . . ?
C80 C81 C82 C83 -0.4(13) . . . . ?
C81 C82 C83 C78 0.3(11) . . . . ?
C83 C78 C79 C80 -1.3(8) . . . . ?
C83 C78 B1 C60 -40.3(6) . . . . ?
C83 C78 B1 C66 -159.3(4) . . . . ?
C83 C78 B1 C72 81.8(5) . . . . ?
B1 C60 C61 C62 -178.2(5) . . . . ?
B1 C60 C65 C64 176.8(6) . . . . ?
B1 C66 C67 C68 -177.4(4) . . . . ?
B1 C66 C71 C70 177.8(4) . . . . ?
B1 C72 C73 C74 179.3(7) . . . . ?
B1 C72 C77 C76 -180.0(5) . . . . ?
B1 C78 C79 C80 174.3(5) . . . . ?
B1 C78 C83 C82 -175.2(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.791
_oxdiff_exptl_absorpt_empirical_full_min 0.647
