# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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. 
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data_DybbpenC6
_database_code_depnum_ccdc_archive 'CCDC 1975686'
loop_
_audit_author_name
_audit_author_address
'Qu YunXia'
;Sun YatSen University
China
;
_audit_update_record             
;
2021-06-24 deposited with the CCDC.	2021-08-19 downloaded from the CCDC.
;
_audit_creation_date             2021-06-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H20 B, 2(C2 H3 N), C58 H60 Dy N4 O4 P2'
_chemical_formula_sum            'C86 H90 B Dy N6 O6 P2'
_chemical_formula_weight         1538.88
_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'
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                   14.4368(9)
_cell_length_b                   16.8612(11)
_cell_length_c                   17.7877(13)
_cell_angle_alpha                116.577(2)
_cell_angle_beta                 95.674(2)
_cell_angle_gamma                90.602(2)
_cell_volume                     3846.1(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.424
_cell_measurement_theta_min      2.309
_shelx_estimated_absorpt_T_max   0.960
_shelx_estimated_absorpt_T_min   0.888
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6159
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1317 before and 0.0597 after correction. The Ratio of minimum to maximum transmission is 0.8260. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1594
_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.071
_exptl_crystal_size_min          0.038
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            78203
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.524
_diffrn_reflns_theta_min         2.025
_diffrn_ambient_temperature      119.97
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14686
_reflns_number_total             17620
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     903
_refine_ls_number_reflns         17620
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0324
_refine_ls_restrained_S_all      1.037
_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)+(0.0244P)²+1.9249P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0691
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C41(H41A,H41B), C42(H42A,H42B), C43(H43A,H43B), C56(H56A,H56B), C57(H57A,
 H57B), C58(H58A,H58B), C65(H65A,H65B), C66(H66A,H66B), C72(H72A,H72B),
 C73(H73A,H73B), C79(H79A,H79B), C80(H80A,H80B)
1.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C45(H45), C46(H46),
  C47(H47), C48(H48), C49(H49), C51(H51), C52(H52), C53(H53), C54(H54),
 C55(H55), C60(H60), C61(H61), C62(H62), C63(H63), C68(H68), C69(H69), C70(H70),
  C71(H71), C74(H74), C75(H75), C76(H76), C77(H77), C82(H82), C83(H83),
 C84(H84), C85(H85)
1.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.0238(2) 0.41775(19) 0.2155(2) 0.0192(6) Uani 1 1 d . . . . .
C1 C -0.02351(17) 0.37159(15) 0.11632(16) 0.0165(5) Uani 1 1 d . . . . .
C2 C 0.00692(17) 0.39046(16) 0.05308(17) 0.0198(5) Uani 1 1 d . . . . .
H2 H 0.060672 0.429583 0.067246 0.024 Uiso 1 1 calc R U . . .
C3 C -0.03750(19) 0.35490(18) -0.02900(18) 0.0250(6) Uani 1 1 d . . . . .
H3 H -0.014550 0.371153 -0.068750 0.030 Uiso 1 1 calc R U . . .
C4 C -0.11517(19) 0.29578(19) -0.05370(18) 0.0284(6) Uani 1 1 d . . . . .
H4 H -0.145878 0.271295 -0.109789 0.034 Uiso 1 1 calc R U . . .
C5 C -0.14639(19) 0.27369(18) 0.00623(18) 0.0272(6) Uani 1 1 d . . . . .
H5 H -0.198898 0.232888 -0.009120 0.033 Uiso 1 1 calc R U . . .
C6 C -0.10207(18) 0.31031(16) 0.08791(18) 0.0227(6) Uani 1 1 d . . . . .
H6 H -0.125522 0.293491 0.127102 0.027 Uiso 1 1 calc R U . . .
C7 C 0.03837(17) 0.34450(18) 0.25288(19) 0.0238(6) Uani 1 1 d . . . . .
C8 C 0.03859(18) 0.25251(19) 0.2023(2) 0.0293(7) Uani 1 1 d . . . . .
H8 H 0.023577 0.229532 0.142828 0.035 Uiso 1 1 calc R U . . .
C9 C 0.0600(2) 0.1933(2) 0.2359(3) 0.0430(9) Uani 1 1 d . . . . .
H9 H 0.058119 0.131310 0.199699 0.052 Uiso 1 1 calc R U . . .
C10 C 0.0839(2) 0.2256(3) 0.3220(3) 0.0525(11) Uani 1 1 d . . . . .
H10 H 0.100575 0.186006 0.345149 0.063 Uiso 1 1 calc R U . . .
C11 C 0.0835(2) 0.3154(3) 0.3742(3) 0.0505(10) Uani 1 1 d . . . . .
H11 H 0.098999 0.337783 0.433577 0.061 Uiso 1 1 calc R U . . .
C12 C 0.0604(2) 0.3734(2) 0.3399(2) 0.0355(7) Uani 1 1 d . . . . .
H12 H 0.059550 0.434975 0.376980 0.043 Uiso 1 1 calc R U . . .
C13 C -0.04426(18) 0.49314(17) 0.27567(17) 0.0200(5) Uani 1 1 d . . . . .
C14 C -0.14167(18) 0.48022(17) 0.26611(17) 0.0219(6) Uani 1 1 d . . . . .
H14 H -0.170479 0.426815 0.221373 0.026 Uiso 1 1 calc R U . . .
C15 C -0.19802(19) 0.54250(19) 0.31953(19) 0.0283(6) Uani 1 1 d . . . . .
H15 H -0.263763 0.530952 0.310408 0.034 Uiso 1 1 calc R U . . .
C16 C -0.1592(2) 0.62045(19) 0.38529(19) 0.0322(7) Uani 1 1 d . . . . .
H16 H -0.197502 0.663152 0.421432 0.039 Uiso 1 1 calc R U . . .
C17 C -0.0638(2) 0.6355(2) 0.39779(19) 0.0351(7) Uani 1 1 d . . . . .
H17 H -0.035810 0.688721 0.443335 0.042 Uiso 1 1 calc R U . . .
C18 C -0.0081(2) 0.57296(19) 0.34387(18) 0.0291(6) Uani 1 1 d . . . . .
H18 H 0.057527 0.585170 0.353969 0.035 Uiso 1 1 calc R U . . .
C19 C 0.12695(18) 0.46624(16) 0.22502(16) 0.0210(6) Uani 1 1 d . . . . .
C20 C 0.21119(18) 0.44034(18) 0.25241(17) 0.0239(6) Uani 1 1 d . . . . .
H20 H 0.208837 0.392202 0.266344 0.029 Uiso 1 1 calc R U . . .
C21 C 0.2976(2) 0.48226(19) 0.25989(18) 0.0327(7) Uani 1 1 d . . . . .
H21 H 0.352413 0.463027 0.279282 0.039 Uiso 1 1 calc R U . . .
C22 C 0.3038(2) 0.5518(2) 0.2392(2) 0.0375(8) Uani 1 1 d . . . . .
H22 H 0.362707 0.579615 0.242725 0.045 Uiso 1 1 calc R U . . .
C23 C 0.2229(2) 0.58034(19) 0.21318(19) 0.0346(7) Uani 1 1 d . . . . .
H23 H 0.226100 0.628477 0.199307 0.041 Uiso 1 1 calc R U . . .
C24 C 0.1371(2) 0.53877(17) 0.20733(18) 0.0261(6) Uani 1 1 d . . . . .
H24 H 0.082575 0.560562 0.190503 0.031 Uiso 1 1 calc R U . . .
C25 C 0.2523(2) 0.6555(2) 0.4621(2) 0.0506(9) Uani 1 1 d . . . . .
H25A H 0.229613 0.617473 0.402568 0.076 Uiso 1 1 calc R U . . .
H25B H 0.229110 0.714838 0.479555 0.076 Uiso 1 1 calc R U . . .
H25C H 0.229904 0.629684 0.497143 0.076 Uiso 1 1 calc R U . . .
C26 C 0.3534(3) 0.6620(2) 0.4728(2) 0.0389(8) Uani 1 1 d . . . . .
N6 N 0.4320(2) 0.6680(2) 0.4810(2) 0.0590(9) Uani 1 1 d . . . . .
C27 C 0.9034(2) 1.1806(2) 0.5937(2) 0.0395(8) Uani 1 1 d . . . . .
C28 C 0.9688(3) 1.2170(2) 0.6702(3) 0.0536(10) Uani 1 1 d . . . . .
H28A H 1.030769 1.226245 0.656328 0.080 Uiso 1 1 calc R U . . .
H28B H 0.971641 1.175502 0.694996 0.080 Uiso 1 1 calc R U . . .
H28C H 0.948109 1.273914 0.710809 0.080 Uiso 1 1 calc R U . . .
N5 N 0.8509(2) 1.1533(2) 0.5353(2) 0.0608(9) Uani 1 1 d . . . . .
C29 C 0.46023(16) 0.78533(15) 0.26661(16) 0.0156(5) Uani 1 1 d . . . . .
C30 C 0.40554(17) 0.76804(16) 0.31860(17) 0.0203(5) Uani 1 1 d . . . . .
H30 H 0.429781 0.736603 0.348375 0.024 Uiso 1 1 calc R U . . .
C31 C 0.31620(18) 0.79662(17) 0.32680(19) 0.0266(6) Uani 1 1 d . . . . .
H31 H 0.279065 0.785092 0.362448 0.032 Uiso 1 1 calc R U . . .
C32 C 0.28073(18) 0.84194(18) 0.2832(2) 0.0298(7) Uani 1 1 d . . . . .
H32 H 0.219129 0.861366 0.288843 0.036 Uiso 1 1 calc R U . . .
C33 C 0.33448(18) 0.85914(18) 0.2315(2) 0.0281(6) Uani 1 1 d . . . . .
H33 H 0.309572 0.889924 0.201348 0.034 Uiso 1 1 calc R U . . .
C34 C 0.42485(17) 0.83158(16) 0.22358(17) 0.0216(6) Uani 1 1 d . . . . .
H34 H 0.462210 0.844361 0.188822 0.026 Uiso 1 1 calc R U . . .
C35 C 0.63542(16) 0.78047(15) 0.35935(16) 0.0153(5) Uani 1 1 d . . . . .
C36 C 0.61242(17) 0.73776(17) 0.40729(16) 0.0194(5) Uani 1 1 d . . . . .
H36 H 0.570441 0.686558 0.382367 0.023 Uiso 1 1 calc R U . . .
C37 C 0.65022(19) 0.76946(18) 0.49036(17) 0.0252(6) Uani 1 1 d . . . . .
H37 H 0.633595 0.740747 0.522886 0.030 Uiso 1 1 calc R U . . .
C38 C 0.7125(2) 0.8432(2) 0.52642(19) 0.0327(7) Uani 1 1 d . . . . .
H38 H 0.737855 0.865580 0.583994 0.039 Uiso 1 1 calc R U . . .
C39 C 0.7379(2) 0.88447(19) 0.47919(19) 0.0325(7) Uani 1 1 d . . . . .
H39 H 0.781982 0.934110 0.503929 0.039 Uiso 1 1 calc R U . . .
C40 C 0.69946(17) 0.85376(17) 0.39572(17) 0.0212(5) Uani 1 1 d . . . . .
H40 H 0.716692 0.882576 0.363455 0.025 Uiso 1 1 calc R U . . .
C41 C 0.57139(16) 0.63329(15) 0.19332(15) 0.0141(5) Uani 1 1 d . . . . .
H41A H 0.634968 0.611564 0.186768 0.017 Uiso 1 1 calc R U . . .
H41B H 0.538918 0.604997 0.222445 0.017 Uiso 1 1 calc R U . . .
C42 C 0.51844(17) 0.60798(15) 0.10642(16) 0.0175(5) Uani 1 1 d . . . . .
H42A H 0.451938 0.619755 0.112982 0.021 Uiso 1 1 calc R U . . .
H42B H 0.543226 0.646305 0.083181 0.021 Uiso 1 1 calc R U . . .
C43 C 0.52514(17) 0.51122(15) 0.04355(15) 0.0172(5) Uani 1 1 d . . . . .
H43A H 0.497840 0.472644 0.065382 0.021 Uiso 1 1 calc R U . . .
H43B H 0.591646 0.498594 0.038351 0.021 Uiso 1 1 calc R U . . .
C44 C 0.67724(17) 1.15588(15) 0.29837(16) 0.0165(5) Uani 1 1 d . . . . .
C45 C 0.76943(18) 1.14436(17) 0.32118(18) 0.0240(6) Uani 1 1 d . . . . .
H45 H 0.784018 1.093857 0.329536 0.029 Uiso 1 1 calc R U . . .
C46 C 0.8401(2) 1.20628(19) 0.33178(19) 0.0310(7) Uani 1 1 d . . . . .
H46 H 0.902869 1.198113 0.347310 0.037 Uiso 1 1 calc R U . . .
C47 C 0.8189(2) 1.2798(2) 0.3196(2) 0.0366(8) Uani 1 1 d . . . . .
H47 H 0.867301 1.321933 0.326400 0.044 Uiso 1 1 calc R U . . .
C48 C 0.7279(2) 1.29229(19) 0.2978(2) 0.0346(7) Uani 1 1 d . . . . .
H48 H 0.713703 1.343312 0.290213 0.042 Uiso 1 1 calc R U . . .
C49 C 0.6565(2) 1.23025(17) 0.28676(18) 0.0248(6) Uani 1 1 d . . . . .
H49 H 0.593901 1.238837 0.271344 0.030 Uiso 1 1 calc R U . . .
C50 C 0.47802(17) 1.09560(16) 0.25696(16) 0.0176(5) Uani 1 1 d . . . . .
C51 C 0.42769(18) 1.03073(18) 0.18441(17) 0.0224(6) Uani 1 1 d . . . . .
H51 H 0.454221 0.975933 0.152686 0.027 Uiso 1 1 calc R U . . .
C52 C 0.33858(19) 1.0456(2) 0.15797(19) 0.0311(7) Uani 1 1 d . . . . .
H52 H 0.304387 1.001518 0.107917 0.037 Uiso 1 1 calc R U . . .
C53 C 0.3002(2) 1.1250(2) 0.2049(2) 0.0349(7) Uani 1 1 d . . . . .
H53 H 0.239093 1.135099 0.187247 0.042 Uiso 1 1 calc R U . . .
C54 C 0.3489(2) 1.1891(2) 0.2765(2) 0.0349(8) Uani 1 1 d . . . . .
H54 H 0.321720 1.243540 0.307971 0.042 Uiso 1 1 calc R U . . .
C55 C 0.43829(19) 1.17521(18) 0.30384(18) 0.0260(6) Uani 1 1 d . . . . .
H55 H 0.471820 1.219728 0.354057 0.031 Uiso 1 1 calc R U . . .
C56 C 0.59160(17) 1.08760(15) 0.39652(15) 0.0165(5) Uani 1 1 d . . . . .
H56A H 0.655963 1.084510 0.419651 0.020 Uiso 1 1 calc R U . . .
H56B H 0.571223 1.147747 0.431504 0.020 Uiso 1 1 calc R U . . .
C57 C 0.52793(17) 1.01930(15) 0.40421(15) 0.0166(5) Uani 1 1 d . . . . .
H57A H 0.463446 1.021917 0.381009 0.020 Uiso 1 1 calc R U . . .
H57B H 0.548575 0.959032 0.370086 0.020 Uiso 1 1 calc R U . . .
C58 C 0.52851(18) 1.03542(15) 0.49547(15) 0.0177(5) Uani 1 1 d . . . . .
H58A H 0.593730 1.037593 0.519847 0.021 Uiso 1 1 calc R U . . .
H58B H 0.503538 1.093970 0.528477 0.021 Uiso 1 1 calc R U . . .
C59 C 0.89313(17) 0.93882(15) 0.27543(16) 0.0164(5) Uani 1 1 d . . . . .
C60 C 0.92214(18) 0.98744(17) 0.36236(17) 0.0227(6) Uani 1 1 d . . . . .
H60 H 0.877558 1.000677 0.401548 0.027 Uiso 1 1 calc R U . . .
C61 C 1.01478(19) 1.01650(18) 0.39205(19) 0.0288(6) Uani 1 1 d . . . . .
H61 H 1.032901 1.049144 0.451187 0.035 Uiso 1 1 calc R U . . .
C62 C 1.08140(19) 0.99829(18) 0.33603(19) 0.0285(6) Uani 1 1 d . . . . .
H62 H 1.144889 1.018118 0.356352 0.034 Uiso 1 1 calc R U . . .
C63 C 1.05346(18) 0.95074(18) 0.25013(18) 0.0247(6) Uani 1 1 d . . . . .
H63 H 1.098698 0.938804 0.211695 0.030 Uiso 1 1 calc R U . . .
C64 C 0.96129(17) 0.91984(16) 0.21823(17) 0.0183(5) Uani 1 1 d . . . . .
C65 C 0.93540(16) 0.86670(17) 0.12467(17) 0.0197(5) Uani 1 1 d . . . . .
H65A H 0.989195 0.869760 0.095400 0.024 Uiso 1 1 calc R U . . .
H65B H 0.923097 0.803744 0.111657 0.024 Uiso 1 1 calc R U . . .
C66 C 0.86320(17) 0.99310(15) 0.11953(17) 0.0182(5) Uani 1 1 d . . . . .
H66A H 0.913742 1.006286 0.092259 0.022 Uiso 1 1 calc R U . . .
H66B H 0.881382 1.023024 0.181473 0.022 Uiso 1 1 calc R U . . .
C67 C 0.77480(17) 1.02902(15) 0.09922(16) 0.0174(5) Uani 1 1 d . . . . .
C68 C 0.7764(2) 1.10980(17) 0.09610(18) 0.0249(6) Uani 1 1 d . . . . .
H68 H 0.833922 1.142002 0.104046 0.030 Uiso 1 1 calc R U . . .
C69 C 0.6931(2) 1.14249(18) 0.08127(19) 0.0299(7) Uani 1 1 d . . . . .
H69 H 0.692173 1.198548 0.080698 0.036 Uiso 1 1 calc R U . . .
C70 C 0.61096(19) 1.09239(18) 0.06724(18) 0.0255(6) Uani 1 1 d . . . . .
H70 H 0.552771 1.112839 0.055650 0.031 Uiso 1 1 calc R U . . .
C71 C 0.61508(18) 1.01239(17) 0.07038(16) 0.0200(5) Uani 1 1 d . . . . .
H71 H 0.558521 0.977985 0.060134 0.024 Uiso 1 1 calc R U . . .
C72 C 0.84484(18) 0.85226(16) -0.00328(16) 0.0193(5) Uani 1 1 d . . . . .
H72A H 0.906484 0.856787 -0.021463 0.023 Uiso 1 1 calc R U . . .
H72B H 0.800490 0.882977 -0.025774 0.023 Uiso 1 1 calc R U . . .
C73 C 0.81218(17) 0.75591(16) -0.03947(16) 0.0178(5) Uani 1 1 d . . . . .
H73A H 0.812999 0.727573 -0.101606 0.021 Uiso 1 1 calc R U . . .
H73B H 0.855948 0.725567 -0.016050 0.021 Uiso 1 1 calc R U . . .
C74 C 0.81717(17) 0.70634(16) 0.18197(16) 0.0180(5) Uani 1 1 d . . . . .
H74 H 0.828282 0.757758 0.234995 0.022 Uiso 1 1 calc R U . . .
C75 C 0.84668(17) 0.62691(17) 0.17671(17) 0.0204(5) Uani 1 1 d . . . . .
H75 H 0.877631 0.623755 0.224891 0.024 Uiso 1 1 calc R U . . .
C76 C 0.83031(18) 0.55155(17) 0.09961(17) 0.0216(6) Uani 1 1 d . . . . .
H76 H 0.849196 0.495579 0.094103 0.026 Uiso 1 1 calc R U . . .
C77 C 0.78610(17) 0.55928(16) 0.03101(16) 0.0181(5) Uani 1 1 d . . . . .
H77 H 0.774713 0.508675 -0.022605 0.022 Uiso 1 1 calc R U . . .
C78 C 0.75831(16) 0.64207(15) 0.04115(15) 0.0136(5) Uani 1 1 d . . . . .
C79 C 0.70540(17) 0.65218(15) -0.03122(16) 0.0162(5) Uani 1 1 d . . . . .
H79A H 0.728424 0.610956 -0.084937 0.019 Uiso 1 1 calc R U . . .
H79B H 0.638417 0.635991 -0.034826 0.019 Uiso 1 1 calc R U . . .
C80 C 0.64669(17) 0.75724(16) -0.08120(16) 0.0182(5) Uani 1 1 d . . . . .
H80A H 0.665281 0.724891 -0.138924 0.022 Uiso 1 1 calc R U . . .
H80B H 0.647803 0.821208 -0.066699 0.022 Uiso 1 1 calc R U . . .
C81 C 0.54892(17) 0.72572(16) -0.08126(16) 0.0181(5) Uani 1 1 d . . . . .
C82 C 0.49982(19) 0.66104(17) -0.15530(18) 0.0242(6) Uani 1 1 d . . . . .
H82 H 0.527223 0.639481 -0.206733 0.029 Uiso 1 1 calc R U . . .
C83 C 0.41164(19) 0.62755(17) -0.15530(19) 0.0283(6) Uani 1 1 d . . . . .
H83 H 0.378645 0.583731 -0.206269 0.034 Uiso 1 1 calc R U . . .
C84 C 0.37243(19) 0.65877(17) -0.08019(19) 0.0266(6) Uani 1 1 d . . . . .
H84 H 0.312794 0.635081 -0.079282 0.032 Uiso 1 1 calc R U . . .
C85 C 0.41936(17) 0.72434(16) -0.00618(18) 0.0206(6) Uani 1 1 d . . . . .
H85 H 0.390951 0.745530 0.044711 0.025 Uiso 1 1 calc R U . . .
C86 C 0.50815(17) 0.76006(15) -0.00498(16) 0.0164(5) Uani 1 1 d . . . . .
Dy1 Dy 0.69476(2) 0.85991(2) 0.13873(2) 0.01121(3) Uani 1 1 d . . . . .
N1 N 0.77327(14) 0.71500(13) 0.11576(13) 0.0150(4) Uani 1 1 d . . . . .
N2 N 0.71635(13) 0.74404(12) -0.02020(13) 0.0142(4) Uani 1 1 d . . . . .
N3 N 0.85231(14) 0.89677(13) 0.09022(13) 0.0152(4) Uani 1 1 d . . . . .
N4 N 0.69540(14) 0.98061(13) 0.08727(13) 0.0163(4) Uani 1 1 d . . . . .
O1 O 0.80409(11) 0.91337(11) 0.24829(11) 0.0169(4) Uani 1 1 d . . . . .
O2 O 0.55392(11) 0.82289(11) 0.06533(11) 0.0184(4) Uani 1 1 d . . . . .
O3 O 0.61554(11) 0.98030(10) 0.23076(11) 0.0162(4) Uani 1 1 d . . . . .
O4 O 0.62807(11) 0.79792(10) 0.21475(11) 0.0150(3) Uani 1 1 d . . . . .
P1 P 0.59261(4) 1.07213(4) 0.28997(4) 0.01276(12) Uani 1 1 d . . . . .
P2 P 0.57860(4) 0.75193(4) 0.25568(4) 0.01180(12) 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
B1 C1 1.645(4) . ?
B1 C7 1.650(4) . ?
B1 C13 1.656(4) . ?
B1 C19 1.648(4) . ?
C1 C2 1.405(3) . ?
C1 C6 1.416(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.390(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.402(4) . ?
C7 C12 1.399(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.397(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.378(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.393(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.403(3) . ?
C13 C18 1.398(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.395(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.375(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.375(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.411(4) . ?
C19 C24 1.402(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.392(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.382(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.388(4) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C26 1.450(5) . ?
C26 N6 1.127(4) . ?
C27 C28 1.450(5) . ?
C27 N5 1.130(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.394(3) . ?
C29 C34 1.386(3) . ?
C29 P2 1.806(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.380(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.381(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.381(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.389(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.399(3) . ?
C35 C40 1.394(3) . ?
C35 P2 1.790(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.376(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.379(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.387(4) . ?
C40 H40 0.9500 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.525(3) . ?
C41 P2 1.797(2) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.521(3) . ?
C43 C43 1.522(5) 2_665 ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.394(4) . ?
C44 C49 1.390(3) . ?
C44 P1 1.802(2) . ?
C45 H45 0.9500 . ?
C45 C46 1.390(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.383(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.378(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.396(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.387(4) . ?
C50 C55 1.391(3) . ?
C50 P1 1.808(2) . ?
C51 H51 0.9500 . ?
C51 C52 1.390(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.379(4) . ?
C53 H53 0.9500 . ?
C53 C54 1.364(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.392(4) . ?
C55 H55 0.9500 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.527(3) . ?
C56 P1 1.795(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.521(3) . ?
C58 C58 1.519(4) 2_676 ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.403(4) . ?
C59 C64 1.421(3) . ?
C59 O1 1.323(3) . ?
C60 H60 0.9500 . ?
C60 C61 1.386(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.391(4) . ?
C62 H62 0.9500 . ?
C62 C63 1.384(4) . ?
C63 H63 0.9500 . ?
C63 C64 1.391(3) . ?
C64 C65 1.499(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 N3 1.489(3) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.499(3) . ?
C66 N3 1.468(3) . ?
C67 C68 1.388(3) . ?
C67 N4 1.342(3) . ?
C68 H68 0.9500 . ?
C68 C69 1.379(4) . ?
C69 H69 0.9500 . ?
C69 C70 1.384(4) . ?
C70 H70 0.9500 . ?
C70 C71 1.376(3) . ?
C71 H71 0.9500 . ?
C71 N4 1.345(3) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C73 1.505(3) . ?
C72 N3 1.479(3) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 N2 1.490(3) . ?
C74 H74 0.9500 . ?
C74 C75 1.375(3) . ?
C74 N1 1.348(3) . ?
C75 H75 0.9500 . ?
C75 C76 1.386(4) . ?
C76 H76 0.9500 . ?
C76 C77 1.380(4) . ?
C77 H77 0.9500 . ?
C77 C78 1.394(3) . ?
C78 C79 1.508(3) . ?
C78 N1 1.341(3) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 N2 1.476(3) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C81 1.503(3) . ?
C80 N2 1.498(3) . ?
C81 C82 1.393(4) . ?
C81 C86 1.409(4) . ?
C82 H82 0.9500 . ?
C82 C83 1.387(4) . ?
C83 H83 0.9500 . ?
C83 C84 1.382(4) . ?
C84 H84 0.9500 . ?
C84 C85 1.386(4) . ?
C85 H85 0.9500 . ?
C85 C86 1.405(3) . ?
C86 O2 1.326(3) . ?
Dy1 N1 2.5841(19) . ?
Dy1 N2 2.674(2) . ?
Dy1 N3 2.6725(19) . ?
Dy1 N4 2.5784(19) . ?
Dy1 O1 2.2116(17) . ?
Dy1 O2 2.2244(17) . ?
Dy1 O3 2.3567(16) . ?
Dy1 O4 2.3127(15) . ?
O3 P1 1.4956(16) . ?
O4 P2 1.4961(16) . ?

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
C1 B1 C7 112.2(2) . . ?
C1 B1 C13 109.9(2) . . ?
C1 B1 C19 110.7(2) . . ?
C7 B1 C13 107.6(2) . . ?
C19 B1 C7 107.5(2) . . ?
C19 B1 C13 108.9(2) . . ?
C2 C1 B1 124.3(2) . . ?
C2 C1 C6 113.8(2) . . ?
C6 C1 B1 121.9(2) . . ?
C1 C2 H2 118.3 . . ?
C3 C2 C1 123.4(2) . . ?
C3 C2 H2 118.3 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.7(2) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 121.1 . . ?
C5 C4 C3 117.8(3) . . ?
C5 C4 H4 121.1 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.8(3) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 H6 118.3 . . ?
C5 C6 C1 123.4(2) . . ?
C5 C6 H6 118.3 . . ?
C8 C7 B1 124.3(3) . . ?
C12 C7 B1 120.0(3) . . ?
C12 C7 C8 115.5(3) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(3) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.6(3) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.7(3) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(4) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 118.7 . . ?
C11 C12 C7 122.6(3) . . ?
C11 C12 H12 118.7 . . ?
C14 C13 B1 123.2(2) . . ?
C18 C13 B1 122.1(2) . . ?
C18 C13 C14 114.5(2) . . ?
C13 C14 H14 118.6 . . ?
C15 C14 C13 122.7(3) . . ?
C15 C14 H14 118.6 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.6 . . ?
C17 C16 C15 118.8(3) . . ?
C17 C16 H16 120.6 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.3(3) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 118.4 . . ?
C17 C18 C13 123.2(3) . . ?
C17 C18 H18 118.4 . . ?
C20 C19 B1 123.9(2) . . ?
C24 C19 B1 121.6(2) . . ?
C24 C19 C20 114.5(2) . . ?
C19 C20 H20 118.6 . . ?
C21 C20 C19 122.8(3) . . ?
C21 C20 H20 118.6 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.0(3) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.1(3) . . ?
C24 C23 H23 119.9 . . ?
C19 C24 H24 118.4 . . ?
C23 C24 C19 123.3(3) . . ?
C23 C24 H24 118.4 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
N6 C26 C25 179.2(4) . . ?
N5 C27 C28 178.3(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P2 121.82(19) . . ?
C34 C29 C30 119.9(2) . . ?
C34 C29 P2 118.28(18) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(2) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.1(3) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C29 C34 C33 119.6(2) . . ?
C29 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C36 C35 P2 123.00(19) . . ?
C40 C35 C36 119.3(2) . . ?
C40 C35 P2 117.47(19) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.4(2) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 120.1 . . ?
C36 C37 C38 119.9(3) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.3(3) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 119.9 . . ?
C38 C39 C40 120.3(3) . . ?
C40 C39 H39 119.9 . . ?
C35 C40 H40 120.1 . . ?
C39 C40 C35 119.8(2) . . ?
C39 C40 H40 120.1 . . ?
H41A C41 H41B 108.2 . . ?
C42 C41 H41A 109.7 . . ?
C42 C41 H41B 109.7 . . ?
C42 C41 P2 109.98(15) . . ?
P2 C41 H41A 109.7 . . ?
P2 C41 H41B 109.7 . . ?
C41 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C43 C42 C41 113.55(19) . . ?
C43 C42 H42A 108.9 . . ?
C43 C42 H42B 108.9 . . ?
C42 C43 C43 112.4(2) . 2_665 ?
C42 C43 H43A 109.1 . . ?
C42 C43 H43B 109.1 . . ?
C43 C43 H43A 109.1 2_665 . ?
C43 C43 H43B 109.1 2_665 . ?
H43A C43 H43B 107.9 . . ?
C45 C44 P1 115.54(18) . . ?
C49 C44 C45 119.4(2) . . ?
C49 C44 P1 125.1(2) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.4(2) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 120.1 . . ?
C47 C46 C45 119.8(3) . . ?
C47 C46 H46 120.1 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.3(3) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.3(3) . . ?
C49 C48 H48 119.9 . . ?
C44 C49 C48 119.8(3) . . ?
C44 C49 H49 120.1 . . ?
C48 C49 H49 120.1 . . ?
C51 C50 C55 119.6(2) . . ?
C51 C50 P1 118.56(19) . . ?
C55 C50 P1 121.8(2) . . ?
C50 C51 H51 119.9 . . ?
C50 C51 C52 120.2(3) . . ?
C52 C51 H51 119.9 . . ?
C51 C52 H52 120.3 . . ?
C53 C52 C51 119.5(3) . . ?
C53 C52 H52 120.3 . . ?
C52 C53 H53 119.6 . . ?
C54 C53 C52 120.7(3) . . ?
C54 C53 H53 119.6 . . ?
C53 C54 H54 119.8 . . ?
C53 C54 C55 120.5(3) . . ?
C55 C54 H54 119.8 . . ?
C50 C55 C54 119.4(3) . . ?
C50 C55 H55 120.3 . . ?
C54 C55 H55 120.3 . . ?
H56A C56 H56B 107.7 . . ?
C57 C56 H56A 108.8 . . ?
C57 C56 H56B 108.8 . . ?
C57 C56 P1 113.82(17) . . ?
P1 C56 H56A 108.8 . . ?
P1 C56 H56B 108.8 . . ?
C56 C57 H57A 109.2 . . ?
C56 C57 H57B 109.2 . . ?
H57A C57 H57B 107.9 . . ?
C58 C57 C56 112.0(2) . . ?
C58 C57 H57A 109.2 . . ?
C58 C57 H57B 109.2 . . ?
C57 C58 H58A 108.9 . . ?
C57 C58 H58B 108.9 . . ?
C58 C58 C57 113.3(3) 2_676 . ?
C58 C58 H58A 108.9 2_676 . ?
C58 C58 H58B 108.9 2_676 . ?
H58A C58 H58B 107.7 . . ?
C60 C59 C64 118.3(2) . . ?
O1 C59 C60 120.2(2) . . ?
O1 C59 C64 121.5(2) . . ?
C59 C60 H60 119.4 . . ?
C61 C60 C59 121.1(3) . . ?
C61 C60 H60 119.4 . . ?
C60 C61 H61 119.7 . . ?
C60 C61 C62 120.6(3) . . ?
C62 C61 H61 119.7 . . ?
C61 C62 H62 120.6 . . ?
C63 C62 C61 118.7(3) . . ?
C63 C62 H62 120.6 . . ?
C62 C63 H63 118.9 . . ?
C62 C63 C64 122.2(3) . . ?
C64 C63 H63 118.9 . . ?
C59 C64 C65 121.0(2) . . ?
C63 C64 C59 119.1(2) . . ?
C63 C64 C65 119.9(2) . . ?
C64 C65 H65A 108.7 . . ?
C64 C65 H65B 108.7 . . ?
H65A C65 H65B 107.6 . . ?
N3 C65 C64 114.2(2) . . ?
N3 C65 H65A 108.7 . . ?
N3 C65 H65B 108.7 . . ?
H66A C66 H66B 108.0 . . ?
C67 C66 H66A 109.3 . . ?
C67 C66 H66B 109.3 . . ?
N3 C66 H66A 109.3 . . ?
N3 C66 H66B 109.3 . . ?
N3 C66 C67 111.5(2) . . ?
C68 C67 C66 120.7(2) . . ?
N4 C67 C66 116.6(2) . . ?
N4 C67 C68 122.7(2) . . ?
C67 C68 H68 120.6 . . ?
C69 C68 C67 118.8(2) . . ?
C69 C68 H68 120.6 . . ?
C68 C69 H69 120.5 . . ?
C68 C69 C70 119.0(2) . . ?
C70 C69 H69 120.5 . . ?
C69 C70 H70 120.6 . . ?
C71 C70 C69 118.8(2) . . ?
C71 C70 H70 120.6 . . ?
C70 C71 H71 118.4 . . ?
N4 C71 C70 123.1(2) . . ?
N4 C71 H71 118.4 . . ?
H72A C72 H72B 107.9 . . ?
C73 C72 H72A 109.3 . . ?
C73 C72 H72B 109.3 . . ?
N3 C72 H72A 109.3 . . ?
N3 C72 H72B 109.3 . . ?
N3 C72 C73 111.79(19) . . ?
C72 C73 H73A 109.1 . . ?
C72 C73 H73B 109.1 . . ?
H73A C73 H73B 107.9 . . ?
N2 C73 C72 112.32(19) . . ?
N2 C73 H73A 109.1 . . ?
N2 C73 H73B 109.1 . . ?
C75 C74 H74 118.3 . . ?
N1 C74 H74 118.3 . . ?
N1 C74 C75 123.4(2) . . ?
C74 C75 H75 120.7 . . ?
C74 C75 C76 118.6(2) . . ?
C76 C75 H75 120.7 . . ?
C75 C76 H76 120.6 . . ?
C77 C76 C75 118.8(2) . . ?
C77 C76 H76 120.6 . . ?
C76 C77 H77 120.3 . . ?
C76 C77 C78 119.3(2) . . ?
C78 C77 H77 120.3 . . ?
C77 C78 C79 120.8(2) . . ?
N1 C78 C77 122.1(2) . . ?
N1 C78 C79 117.0(2) . . ?
C78 C79 H79A 109.3 . . ?
C78 C79 H79B 109.3 . . ?
H79A C79 H79B 108.0 . . ?
N2 C79 C78 111.48(19) . . ?
N2 C79 H79A 109.3 . . ?
N2 C79 H79B 109.3 . . ?
H80A C80 H80B 107.7 . . ?
C81 C80 H80A 108.9 . . ?
C81 C80 H80B 108.9 . . ?
N2 C80 H80A 108.9 . . ?
N2 C80 H80B 108.9 . . ?
N2 C80 C81 113.31(19) . . ?
C82 C81 C80 120.5(2) . . ?
C82 C81 C86 120.0(2) . . ?
C86 C81 C80 119.4(2) . . ?
C81 C82 H82 119.4 . . ?
C83 C82 C81 121.2(3) . . ?
C83 C82 H82 119.4 . . ?
C82 C83 H83 120.4 . . ?
C84 C83 C82 119.1(3) . . ?
C84 C83 H83 120.4 . . ?
C83 C84 H84 119.7 . . ?
C83 C84 C85 120.6(3) . . ?
C85 C84 H84 119.7 . . ?
C84 C85 H85 119.4 . . ?
C84 C85 C86 121.3(3) . . ?
C86 C85 H85 119.4 . . ?
C85 C86 C81 117.8(2) . . ?
O2 C86 C81 120.2(2) . . ?
O2 C86 C85 122.0(2) . . ?
N1 Dy1 N2 62.46(6) . . ?
N1 Dy1 N3 83.16(6) . . ?
N3 Dy1 N2 68.04(6) . . ?
N4 Dy1 N1 140.45(6) . . ?
N4 Dy1 N2 86.57(6) . . ?
N4 Dy1 N3 61.64(6) . . ?
O1 Dy1 N1 80.33(6) . . ?
O1 Dy1 N2 126.58(6) . . ?
O1 Dy1 N3 70.85(6) . . ?
O1 Dy1 N4 102.48(6) . . ?
O1 Dy1 O2 159.92(6) . . ?
O1 Dy1 O3 81.99(6) . . ?
O1 Dy1 O4 83.94(6) . . ?
O2 Dy1 N1 107.91(6) . . ?
O2 Dy1 N2 72.60(6) . . ?
O2 Dy1 N3 127.46(6) . . ?
O2 Dy1 N4 82.99(6) . . ?
O2 Dy1 O3 81.43(6) . . ?
O2 Dy1 O4 81.83(6) . . ?
O3 Dy1 N1 145.98(6) . . ?
O3 Dy1 N2 148.13(6) . . ?
O3 Dy1 N3 117.73(6) . . ?
O3 Dy1 N4 71.95(6) . . ?
O4 Dy1 N1 70.51(6) . . ?
O4 Dy1 N2 114.33(6) . . ?
O4 Dy1 N3 146.28(6) . . ?
O4 Dy1 N4 148.80(6) . . ?
O4 Dy1 O3 78.92(5) . . ?
C74 N1 Dy1 120.46(16) . . ?
C78 N1 C74 117.8(2) . . ?
C78 N1 Dy1 120.83(15) . . ?
C73 N2 C80 109.10(18) . . ?
C73 N2 Dy1 110.38(14) . . ?
C79 N2 C73 106.84(17) . . ?
C79 N2 C80 110.05(18) . . ?
C79 N2 Dy1 110.21(14) . . ?
C80 N2 Dy1 110.21(14) . . ?
C65 N3 Dy1 111.95(14) . . ?
C66 N3 C65 109.60(19) . . ?
C66 N3 C72 108.38(18) . . ?
C66 N3 Dy1 108.67(13) . . ?
C72 N3 C65 109.28(19) . . ?
C72 N3 Dy1 108.89(14) . . ?
C67 N4 C71 117.5(2) . . ?
C67 N4 Dy1 119.35(15) . . ?
C71 N4 Dy1 120.64(16) . . ?
C59 O1 Dy1 146.71(16) . . ?
C86 O2 Dy1 141.41(15) . . ?
P1 O3 Dy1 162.07(10) . . ?
P2 O4 Dy1 174.09(11) . . ?
C44 P1 C50 109.55(11) . . ?
C56 P1 C44 104.56(11) . . ?
C56 P1 C50 106.81(11) . . ?
O3 P1 C44 112.54(10) . . ?
O3 P1 C50 110.42(11) . . ?
O3 P1 C56 112.64(10) . . ?
C35 P2 C29 107.63(11) . . ?
C35 P2 C41 109.57(11) . . ?
C41 P2 C29 106.68(11) . . ?
O4 P2 C29 110.27(10) . . ?
O4 P2 C35 110.74(10) . . ?
O4 P2 C41 111.79(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 C1 C2 C3 -175.9(2) . . . . ?
B1 C1 C6 C5 176.7(2) . . . . ?
B1 C7 C8 C9 173.7(2) . . . . ?
B1 C7 C12 C11 -172.8(3) . . . . ?
B1 C13 C14 C15 177.0(2) . . . . ?
B1 C13 C18 C17 -176.9(3) . . . . ?
B1 C19 C20 C21 179.9(2) . . . . ?
B1 C19 C24 C23 -178.8(3) . . . . ?
C1 B1 C7 C8 18.6(3) . . . . ?
C1 B1 C7 C12 -167.5(2) . . . . ?
C1 B1 C13 C14 41.5(3) . . . . ?
C1 B1 C13 C18 -142.7(2) . . . . ?
C1 B1 C19 C20 -116.9(3) . . . . ?
C1 B1 C19 C24 64.2(3) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C2 C1 C6 C5 -1.4(3) . . . . ?
C2 C3 C4 C5 -0.1(4) . . . . ?
C3 C4 C5 C6 0.7(4) . . . . ?
C4 C5 C6 C1 0.0(4) . . . . ?
C6 C1 C2 C3 2.1(3) . . . . ?
C7 B1 C1 C2 -135.8(2) . . . . ?
C7 B1 C1 C6 46.4(3) . . . . ?
C7 B1 C13 C14 -80.9(3) . . . . ?
C7 B1 C13 C18 95.0(3) . . . . ?
C7 B1 C19 C20 5.9(3) . . . . ?
C7 B1 C19 C24 -173.0(2) . . . . ?
C7 C8 C9 C10 -1.3(4) . . . . ?
C8 C7 C12 C11 1.7(4) . . . . ?
C8 C9 C10 C11 2.1(4) . . . . ?
C9 C10 C11 C12 -1.0(5) . . . . ?
C10 C11 C12 C7 -1.0(5) . . . . ?
C12 C7 C8 C9 -0.5(4) . . . . ?
C13 B1 C1 C2 104.6(3) . . . . ?
C13 B1 C1 C6 -73.3(3) . . . . ?
C13 B1 C7 C8 139.5(2) . . . . ?
C13 B1 C7 C12 -46.5(3) . . . . ?
C13 B1 C19 C20 122.2(3) . . . . ?
C13 B1 C19 C24 -56.8(3) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C13 C18 C17 -0.7(4) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C15 C16 C17 C18 0.7(5) . . . . ?
C16 C17 C18 C13 -0.1(5) . . . . ?
C18 C13 C14 C15 0.9(4) . . . . ?
C19 B1 C1 C2 -15.7(3) . . . . ?
C19 B1 C1 C6 166.4(2) . . . . ?
C19 B1 C7 C8 -103.4(3) . . . . ?
C19 B1 C7 C12 70.6(3) . . . . ?
C19 B1 C13 C14 162.9(2) . . . . ?
C19 B1 C13 C18 -21.3(3) . . . . ?
C19 C20 C21 C22 -0.8(4) . . . . ?
C20 C19 C24 C23 2.1(4) . . . . ?
C20 C21 C22 C23 1.7(4) . . . . ?
C21 C22 C23 C24 -0.6(4) . . . . ?
C22 C23 C24 C19 -1.4(4) . . . . ?
C24 C19 C20 C21 -1.1(4) . . . . ?
C29 C30 C31 C32 0.3(4) . . . . ?
C30 C29 C34 C33 -1.0(4) . . . . ?
C30 C29 P2 C35 -44.9(2) . . . . ?
C30 C29 P2 C41 72.7(2) . . . . ?
C30 C29 P2 O4 -165.74(19) . . . . ?
C30 C31 C32 C33 -0.2(4) . . . . ?
C31 C32 C33 C34 -0.5(4) . . . . ?
C32 C33 C34 C29 1.1(4) . . . . ?
C34 C29 C30 C31 0.3(4) . . . . ?
C34 C29 P2 C35 133.3(2) . . . . ?
C34 C29 P2 C41 -109.2(2) . . . . ?
C34 C29 P2 O4 12.4(2) . . . . ?
C35 C36 C37 C38 -1.0(4) . . . . ?
C36 C35 C40 C39 -1.4(4) . . . . ?
C36 C35 P2 C29 68.8(2) . . . . ?
C36 C35 P2 C41 -46.9(2) . . . . ?
C36 C35 P2 O4 -170.64(18) . . . . ?
C36 C37 C38 C39 -0.9(4) . . . . ?
C37 C38 C39 C40 1.7(5) . . . . ?
C38 C39 C40 C35 -0.5(4) . . . . ?
C40 C35 C36 C37 2.1(4) . . . . ?
C40 C35 P2 C29 -105.5(2) . . . . ?
C40 C35 P2 C41 138.88(19) . . . . ?
C40 C35 P2 O4 15.1(2) . . . . ?
C41 C42 C43 C43 -177.7(2) . . . 2_665 ?
C42 C41 P2 C29 60.72(19) . . . . ?
C42 C41 P2 C35 176.96(16) . . . . ?
C42 C41 P2 O4 -59.89(19) . . . . ?
C44 C45 C46 C47 0.0(4) . . . . ?
C45 C44 C49 C48 0.2(4) . . . . ?
C45 C44 P1 C50 -178.29(19) . . . . ?
C45 C44 P1 C56 67.5(2) . . . . ?
C45 C44 P1 O3 -55.0(2) . . . . ?
C45 C46 C47 C48 0.5(5) . . . . ?
C46 C47 C48 C49 -0.8(5) . . . . ?
C47 C48 C49 C44 0.4(4) . . . . ?
C49 C44 C45 C46 -0.4(4) . . . . ?
C49 C44 P1 C50 4.0(3) . . . . ?
C49 C44 P1 C56 -110.2(2) . . . . ?
C49 C44 P1 O3 127.2(2) . . . . ?
C50 C51 C52 C53 -0.8(4) . . . . ?
C51 C50 C55 C54 -0.9(4) . . . . ?
C51 C50 P1 C44 123.60(19) . . . . ?
C51 C50 P1 C56 -123.70(19) . . . . ?
C51 C50 P1 O3 -0.9(2) . . . . ?
C51 C52 C53 C54 0.5(4) . . . . ?
C52 C53 C54 C55 -0.5(4) . . . . ?
C53 C54 C55 C50 0.7(4) . . . . ?
C55 C50 C51 C52 0.9(4) . . . . ?
C55 C50 P1 C44 -58.7(2) . . . . ?
C55 C50 P1 C56 54.0(2) . . . . ?
C55 C50 P1 O3 176.80(19) . . . . ?
C56 C57 C58 C58 -175.7(3) . . . 2_676 ?
C57 C56 P1 C44 -176.61(17) . . . . ?
C57 C56 P1 C50 67.3(2) . . . . ?
C57 C56 P1 O3 -54.1(2) . . . . ?
C59 C60 C61 C62 0.2(4) . . . . ?
C59 C64 C65 N3 48.5(3) . . . . ?
C60 C59 C64 C63 -0.7(3) . . . . ?
C60 C59 C64 C65 178.8(2) . . . . ?
C60 C59 O1 Dy1 166.38(19) . . . . ?
C60 C61 C62 C63 0.1(4) . . . . ?
C61 C62 C63 C64 -0.7(4) . . . . ?
C62 C63 C64 C59 1.0(4) . . . . ?
C62 C63 C64 C65 -178.5(2) . . . . ?
C63 C64 C65 N3 -131.9(2) . . . . ?
C64 C59 C60 C61 0.1(4) . . . . ?
C64 C59 O1 Dy1 -12.2(4) . . . . ?
C64 C65 N3 C66 50.1(3) . . . . ?
C64 C65 N3 C72 168.72(19) . . . . ?
C64 C65 N3 Dy1 -70.6(2) . . . . ?
C66 C67 C68 C69 -176.9(3) . . . . ?
C66 C67 N4 C71 178.9(2) . . . . ?
C66 C67 N4 Dy1 16.6(3) . . . . ?
C67 C66 N3 C65 -170.1(2) . . . . ?
C67 C66 N3 C72 70.7(2) . . . . ?
C67 C66 N3 Dy1 -47.5(2) . . . . ?
C67 C68 C69 C70 -2.1(4) . . . . ?
C68 C67 N4 C71 1.0(4) . . . . ?
C68 C67 N4 Dy1 -161.3(2) . . . . ?
C68 C69 C70 C71 1.4(4) . . . . ?
C69 C70 C71 N4 0.6(4) . . . . ?
C70 C71 N4 C67 -1.8(4) . . . . ?
C70 C71 N4 Dy1 160.2(2) . . . . ?
C72 C73 N2 C79 -160.5(2) . . . . ?
C72 C73 N2 C80 80.5(2) . . . . ?
C72 C73 N2 Dy1 -40.7(2) . . . . ?
C73 C72 N3 C65 73.4(2) . . . . ?
C73 C72 N3 C66 -167.2(2) . . . . ?
C73 C72 N3 Dy1 -49.1(2) . . . . ?
C74 C75 C76 C77 0.7(4) . . . . ?
C75 C74 N1 C78 -0.3(3) . . . . ?
C75 C74 N1 Dy1 168.81(18) . . . . ?
C75 C76 C77 C78 -0.7(4) . . . . ?
C76 C77 C78 C79 -176.8(2) . . . . ?
C76 C77 C78 N1 0.1(4) . . . . ?
C77 C78 C79 N2 -156.6(2) . . . . ?
C77 C78 N1 C74 0.4(3) . . . . ?
C77 C78 N1 Dy1 -168.67(17) . . . . ?
C78 C79 N2 C73 74.7(2) . . . . ?
C78 C79 N2 C80 -167.01(19) . . . . ?
C78 C79 N2 Dy1 -45.3(2) . . . . ?
C79 C78 N1 C74 177.4(2) . . . . ?
C79 C78 N1 Dy1 8.3(3) . . . . ?
C80 C81 C82 C83 176.2(2) . . . . ?
C80 C81 C86 C85 -175.4(2) . . . . ?
C80 C81 C86 O2 3.4(3) . . . . ?
C81 C80 N2 C73 166.19(19) . . . . ?
C81 C80 N2 C79 49.3(3) . . . . ?
C81 C80 N2 Dy1 -72.5(2) . . . . ?
C81 C82 C83 C84 -0.4(4) . . . . ?
C81 C86 O2 Dy1 -43.8(3) . . . . ?
C82 C81 C86 C85 2.5(3) . . . . ?
C82 C81 C86 O2 -178.7(2) . . . . ?
C82 C83 C84 C85 1.7(4) . . . . ?
C83 C84 C85 C86 -0.8(4) . . . . ?
C84 C85 C86 C81 -1.3(3) . . . . ?
C84 C85 C86 O2 179.9(2) . . . . ?
C85 C86 O2 Dy1 135.0(2) . . . . ?
C86 C81 C82 C83 -1.7(4) . . . . ?
Dy1 O3 P1 C44 8.1(4) . . . . ?
Dy1 O3 P1 C50 130.9(3) . . . . ?
Dy1 O3 P1 C56 -109.8(3) . . . . ?
N1 C74 C75 C76 -0.3(4) . . . . ?
N1 C78 C79 N2 26.3(3) . . . . ?
N2 C80 C81 C82 -121.6(2) . . . . ?
N2 C80 C81 C86 56.3(3) . . . . ?
N3 C66 C67 C68 -159.3(2) . . . . ?
N3 C66 C67 N4 22.7(3) . . . . ?
N3 C72 C73 N2 63.3(3) . . . . ?
N4 C67 C68 C69 0.9(4) . . . . ?
O1 C59 C60 C61 -178.5(2) . . . . ?
O1 C59 C64 C63 177.9(2) . . . . ?
O1 C59 C64 C65 -2.6(3) . . . . ?
P1 C44 C45 C46 -178.2(2) . . . . ?
P1 C44 C49 C48 177.8(2) . . . . ?
P1 C50 C51 C52 178.70(19) . . . . ?
P1 C50 C55 C54 -178.6(2) . . . . ?
P1 C56 C57 C58 -179.46(17) . . . . ?
P2 C29 C30 C31 178.4(2) . . . . ?
P2 C29 C34 C33 -179.2(2) . . . . ?
P2 C35 C36 C37 -172.03(19) . . . . ?
P2 C35 C40 C39 173.1(2) . . . . ?
P2 C41 C42 C43 168.69(17) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 69.8 0.0 ?
2 -0.520 0.500 0.500 287.6 87.1 ?
3 0.293 0.638 0.083 8.9 0.0 ?
4 0.707 0.362 0.917 8.9 0.0 ?

_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_DyYbbpen-C6PO2
_database_code_depnum_ccdc_archive 'CCDC 2031584'
loop_
_audit_author_name
_audit_author_address
'Qu YunXia'
;Sun YatSen University
China
;
_audit_update_record             
;
2021-06-24 deposited with the CCDC.	2021-08-19 downloaded from the CCDC.
;
_audit_creation_date             2021-06-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C24 H20 B, 2(C2 H3 N), 2(H2 O),C58 H60 Dy0.05 N4 O4 P2 Y0.95'
_chemical_formula_sum            'C86 H90 B Dy0.05 N6 O6 P2 Y0.95'
_chemical_formula_weight         1469.02
_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'
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'
Y Y -2.7962 3.5667 '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                   14.4603(10)
_cell_length_b                   16.8841(13)
_cell_length_c                   17.8153(13)
_cell_angle_alpha                116.529(2)
_cell_angle_beta                 95.822(2)
_cell_angle_gamma                90.434(2)
_cell_volume                     3864.7(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9848
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   0.955
_shelx_estimated_absorpt_T_min   0.897
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1099 before and 0.0564 after correction. The Ratio of minimum to maximum transmission is 0.9262. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1503
_exptl_crystal_size_max          0.129
_exptl_crystal_size_mid          0.057
_exptl_crystal_size_min          0.054
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0839
_diffrn_reflns_av_unetI/netI     0.0918
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            43447
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.491
_diffrn_reflns_theta_min         2.306
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9442
_reflns_number_total             14290
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     903
_refine_ls_number_reflns         14290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0477P)²+1.6381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1156
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Y1, Dy1}
2. Uiso/Uaniso restraints and constraints
Uanis(Y1) = Uanis(Dy1)
3. Others
 Fixed Sof: Y1(0.95) Dy1(0.05)
4.a Secondary CH2 refined with riding coordinates:
 C41(H41A,H41B), C42(H42A,H42B), C43(H43A,H43B), C56(H56A,H56B), C57(H57A,
 H57B), C58(H58A,H58B), C65(H65A,H65B), C66(H66A,H66B), C72(H72A,H72B),
 C73(H73A,H73B), C79(H79A,H79B), C80(H80A,H80B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C45(H45), C46(H46),
  C47(H47), C48(H48), C49(H49), C51(H51), C52(H52), C53(H53), C54(H54),
 C55(H55), C60(H60), C61(H61), C62(H62), C63(H63), C68(H68), C69(H69), C70(H70),
  C71(H71), C74(H74), C75(H75), C76(H76), C77(H77), C82(H82), C83(H83),
 C84(H84), C85(H85)
4.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.9764(3) 0.5841(3) -0.2151(2) 0.0295(9) Uani 1 1 d . . . . .
C1 C 1.0236(2) 0.6296(2) -0.1154(2) 0.0253(8) Uani 1 1 d . . . . .
C2 C 0.9934(2) 0.6099(2) -0.0531(2) 0.0294(8) Uani 1 1 d . . . . .
H2 H 0.939858 0.570692 -0.067750 0.035 Uiso 1 1 calc R U . . .
C3 C 1.0377(2) 0.6448(2) 0.0294(2) 0.0352(9) Uani 1 1 d . . . . .
H3 H 1.014935 0.628260 0.068875 0.042 Uiso 1 1 calc R U . . .
C4 C 1.1147(3) 0.7036(3) 0.0537(2) 0.0403(10) Uani 1 1 d . . . . .
H4 H 1.145315 0.727662 0.109745 0.048 Uiso 1 1 calc R U . . .
C5 C 1.1466(2) 0.7268(3) -0.0049(2) 0.0398(9) Uani 1 1 d . . . . .
H5 H 1.198956 0.767560 0.010834 0.048 Uiso 1 1 calc R U . . .
C6 C 1.1018(2) 0.6903(2) -0.0868(2) 0.0314(8) Uani 1 1 d . . . . .
H6 H 1.125118 0.707287 -0.125771 0.038 Uiso 1 1 calc R U . . .
C7 C 0.9616(2) 0.6588(3) -0.2502(2) 0.0363(9) Uani 1 1 d . . . . .
C8 C 0.9608(2) 0.7502(3) -0.1996(3) 0.0434(10) Uani 1 1 d . . . . .
H8 H 0.975341 0.772249 -0.140218 0.052 Uiso 1 1 calc R U . . .
C9 C 0.9399(3) 0.8106(3) -0.2313(3) 0.0584(13) Uani 1 1 d . . . . .
H9 H 0.941505 0.872232 -0.194256 0.070 Uiso 1 1 calc R U . . .
C10 C 0.9169(3) 0.7804(5) -0.3166(4) 0.0761(18) Uani 1 1 d . . . . .
H10 H 0.901290 0.820896 -0.338851 0.091 Uiso 1 1 calc R U . . .
C11 C 0.9166(3) 0.6917(5) -0.3693(4) 0.0767(18) Uani 1 1 d . . . . .
H11 H 0.900591 0.670890 -0.428308 0.092 Uiso 1 1 calc R U . . .
C12 C 0.9397(3) 0.6309(3) -0.3374(3) 0.0561(12) Uani 1 1 d . . . . .
H12 H 0.940409 0.569740 -0.375453 0.067 Uiso 1 1 calc R U . . .
C13 C 1.0446(2) 0.5096(2) -0.2749(2) 0.0321(8) Uani 1 1 d . . . . .
C14 C 1.1408(2) 0.5220(2) -0.2649(2) 0.0320(8) Uani 1 1 d . . . . .
H14 H 1.169415 0.574884 -0.219637 0.038 Uiso 1 1 calc R U . . .
C15 C 1.1974(3) 0.4605(3) -0.3182(2) 0.0431(10) Uani 1 1 d . . . . .
H15 H 1.263007 0.472188 -0.308723 0.052 Uiso 1 1 calc R U . . .
C16 C 1.1588(3) 0.3829(3) -0.3845(3) 0.0531(11) Uani 1 1 d . . . . .
H16 H 1.197397 0.340497 -0.420420 0.064 Uiso 1 1 calc R U . . .
C17 C 1.0637(3) 0.3676(3) -0.3981(3) 0.0575(12) Uani 1 1 d . . . . .
H17 H 1.035859 0.314771 -0.444015 0.069 Uiso 1 1 calc R U . . .
C18 C 1.0084(3) 0.4300(3) -0.3439(2) 0.0502(11) Uani 1 1 d . . . . .
H18 H 0.942776 0.418084 -0.354219 0.060 Uiso 1 1 calc R U . . .
C19 C 0.8727(2) 0.5354(2) -0.2249(2) 0.0310(8) Uani 1 1 d . . . . .
C20 C 0.7896(2) 0.5617(2) -0.2512(2) 0.0344(9) Uani 1 1 d . . . . .
H20 H 0.791802 0.610254 -0.264397 0.041 Uiso 1 1 calc R U . . .
C21 C 0.7028(3) 0.5192(3) -0.2589(2) 0.0444(10) Uani 1 1 d . . . . .
H21 H 0.647572 0.538844 -0.277370 0.053 Uiso 1 1 calc R U . . .
C22 C 0.6982(3) 0.4491(3) -0.2397(2) 0.0520(12) Uani 1 1 d . . . . .
H22 H 0.639726 0.420246 -0.244327 0.062 Uiso 1 1 calc R U . . .
C23 C 0.7785(3) 0.4209(3) -0.2136(2) 0.0502(11) Uani 1 1 d . . . . .
H23 H 0.775455 0.372862 -0.199675 0.060 Uiso 1 1 calc R U . . .
C24 C 0.8635(3) 0.4620(2) -0.2078(2) 0.0399(9) Uani 1 1 d . . . . .
H24 H 0.918261 0.439991 -0.191444 0.048 Uiso 1 1 calc R U . . .
C25 C 0.7484(3) 1.3470(4) 0.5384(3) 0.0740(15) Uani 1 1 d . . . . .
H25A H 0.771069 1.385994 0.597668 0.111 Uiso 1 1 calc R U . . .
H25B H 0.768870 1.372592 0.502711 0.111 Uiso 1 1 calc R U . . .
H25C H 0.773412 1.288517 0.521739 0.111 Uiso 1 1 calc R U . . .
C26 C 0.6479(4) 1.3382(3) 0.5284(3) 0.0537(12) Uani 1 1 d . . . . .
N6 N 0.5689(3) 1.3320(3) 0.5207(3) 0.0838(14) Uani 1 1 d . . . . .
C27 C 1.0961(3) 0.8173(3) 0.4069(3) 0.0606(13) Uani 1 1 d . . . . .
C28 C 1.0304(4) 0.7813(3) 0.3316(3) 0.0837(18) Uani 1 1 d . . . . .
H28A H 0.971425 0.763873 0.344360 0.126 Uiso 1 1 calc R U . . .
H28B H 1.055311 0.729290 0.287791 0.126 Uiso 1 1 calc R U . . .
H28C H 1.019795 0.826261 0.311580 0.126 Uiso 1 1 calc R U . . .
N5 N 1.1505(3) 0.8439(3) 0.4634(3) 0.0857(15) Uani 1 1 d . . . . .
C29 C 0.4603(2) 0.7849(2) 0.26691(19) 0.0228(7) Uani 1 1 d . . . . .
C30 C 0.4058(2) 0.7673(2) 0.3182(2) 0.0329(8) Uani 1 1 d . . . . .
H30 H 0.429987 0.735578 0.347717 0.039 Uiso 1 1 calc R U . . .
C31 C 0.3168(2) 0.7959(2) 0.3265(2) 0.0387(9) Uani 1 1 d . . . . .
H31 H 0.279574 0.783833 0.361592 0.046 Uiso 1 1 calc R U . . .
C32 C 0.2816(2) 0.8420(3) 0.2837(3) 0.0435(10) Uani 1 1 d . . . . .
H32 H 0.220250 0.861970 0.289709 0.052 Uiso 1 1 calc R U . . .
C33 C 0.3349(3) 0.8593(3) 0.2324(2) 0.0417(10) Uani 1 1 d . . . . .
H33 H 0.309674 0.890081 0.202330 0.050 Uiso 1 1 calc R U . . .
C34 C 0.4248(2) 0.8323(2) 0.2244(2) 0.0311(8) Uani 1 1 d . . . . .
H34 H 0.462144 0.845798 0.190262 0.037 Uiso 1 1 calc R U . . .
C35 C 0.6355(2) 0.7798(2) 0.35880(19) 0.0240(7) Uani 1 1 d . . . . .
C36 C 0.6130(2) 0.7376(2) 0.4062(2) 0.0314(8) Uani 1 1 d . . . . .
H36 H 0.570678 0.686846 0.381513 0.038 Uiso 1 1 calc R U . . .
C37 C 0.6519(3) 0.7691(3) 0.4893(2) 0.0391(9) Uani 1 1 d . . . . .
H37 H 0.635654 0.740638 0.522095 0.047 Uiso 1 1 calc R U . . .
C38 C 0.7141(3) 0.8415(3) 0.5242(2) 0.0480(11) Uani 1 1 d . . . . .
H38 H 0.740039 0.863627 0.581495 0.058 Uiso 1 1 calc R U . . .
C39 C 0.7394(3) 0.8829(3) 0.4769(2) 0.0474(11) Uani 1 1 d . . . . .
H39 H 0.783919 0.931923 0.501251 0.057 Uiso 1 1 calc R U . . .
C40 C 0.7001(2) 0.8528(2) 0.3942(2) 0.0338(9) Uani 1 1 d . . . . .
H40 H 0.716726 0.881354 0.361692 0.041 Uiso 1 1 calc R U . . .
C41 C 0.5712(2) 0.6330(2) 0.19296(18) 0.0220(7) Uani 1 1 d . . . . .
H41A H 0.634687 0.611311 0.186292 0.026 Uiso 1 1 calc R U . . .
H41B H 0.539097 0.604842 0.222187 0.026 Uiso 1 1 calc R U . . .
C42 C 0.5178(2) 0.6076(2) 0.10607(19) 0.0263(8) Uani 1 1 d . . . . .
H42A H 0.451304 0.619014 0.112651 0.032 Uiso 1 1 calc R U . . .
H42B H 0.541955 0.645889 0.082726 0.032 Uiso 1 1 calc R U . . .
C43 C 0.5251(2) 0.5112(2) 0.04373(19) 0.0262(8) Uani 1 1 d . . . . .
H43A H 0.497953 0.472674 0.065460 0.031 Uiso 1 1 calc R U . . .
H43B H 0.591612 0.498847 0.038871 0.031 Uiso 1 1 calc R U . . .
C44 C 0.6785(2) 1.1549(2) 0.29889(19) 0.0234(7) Uani 1 1 d . . . . .
C45 C 0.7705(2) 1.1446(2) 0.3231(2) 0.0330(8) Uani 1 1 d . . . . .
H45 H 0.785259 1.095183 0.333142 0.040 Uiso 1 1 calc R U . . .
C46 C 0.8404(3) 1.2057(3) 0.3327(2) 0.0401(10) Uani 1 1 d . . . . .
H46 H 0.902905 1.198217 0.349508 0.048 Uiso 1 1 calc R U . . .
C47 C 0.8197(3) 1.2770(3) 0.3181(2) 0.0493(11) Uani 1 1 d . . . . .
H47 H 0.868223 1.318111 0.323566 0.059 Uiso 1 1 calc R U . . .
C48 C 0.7291(3) 1.2895(3) 0.2956(2) 0.0472(11) Uani 1 1 d . . . . .
H48 H 0.714983 1.339982 0.287081 0.057 Uiso 1 1 calc R U . . .
C49 C 0.6583(3) 1.2283(2) 0.2854(2) 0.0369(9) Uani 1 1 d . . . . .
H49 H 0.595864 1.236558 0.269251 0.044 Uiso 1 1 calc R U . . .
C50 C 0.4799(2) 1.0956(2) 0.2583(2) 0.0275(8) Uani 1 1 d . . . . .
C51 C 0.4292(2) 1.0310(3) 0.1857(2) 0.0341(9) Uani 1 1 d . . . . .
H51 H 0.455085 0.975947 0.153914 0.041 Uiso 1 1 calc R U . . .
C52 C 0.3400(3) 1.0475(3) 0.1598(3) 0.0471(11) Uani 1 1 d . . . . .
H52 H 0.305456 1.003875 0.109854 0.056 Uiso 1 1 calc R U . . .
C53 C 0.3025(3) 1.1263(3) 0.2062(3) 0.0517(12) Uani 1 1 d . . . . .
H53 H 0.241759 1.136972 0.188237 0.062 Uiso 1 1 calc R U . . .
C54 C 0.3515(3) 1.1903(3) 0.2783(3) 0.0522(12) Uani 1 1 d . . . . .
H54 H 0.324487 1.244683 0.310226 0.063 Uiso 1 1 calc R U . . .
C55 C 0.4412(3) 1.1754(3) 0.3049(2) 0.0387(9) Uani 1 1 d . . . . .
H55 H 0.475381 1.219614 0.354627 0.046 Uiso 1 1 calc R U . . .
C56 C 0.5934(2) 1.0865(2) 0.39678(19) 0.0235(7) Uani 1 1 d . . . . .
H56A H 0.657466 1.081789 0.419210 0.028 Uiso 1 1 calc R U . . .
H56B H 0.574532 1.147087 0.432187 0.028 Uiso 1 1 calc R U . . .
C57 C 0.5286(2) 1.0199(2) 0.40445(18) 0.0251(8) Uani 1 1 d . . . . .
H57A H 0.547640 0.959307 0.369688 0.030 Uiso 1 1 calc R U . . .
H57B H 0.464403 1.024340 0.381947 0.030 Uiso 1 1 calc R U . . .
C58 C 0.5293(2) 1.0350(2) 0.49592(19) 0.0268(8) Uani 1 1 d . . . . .
H58A H 0.594320 1.035428 0.519754 0.032 Uiso 1 1 calc R U . . .
H58B H 0.505745 1.093978 0.529645 0.032 Uiso 1 1 calc R U . . .
C59 C 0.8918(2) 0.9376(2) 0.27676(19) 0.0249(8) Uani 1 1 d . . . . .
C60 C 0.9210(2) 0.9863(2) 0.3635(2) 0.0327(9) Uani 1 1 d . . . . .
H60 H 0.876517 0.999825 0.402583 0.039 Uiso 1 1 calc R U . . .
C61 C 1.0128(2) 1.0150(2) 0.3932(2) 0.0384(9) Uani 1 1 d . . . . .
H61 H 1.030657 1.047718 0.452212 0.046 Uiso 1 1 calc R U . . .
C62 C 1.0790(3) 0.9967(3) 0.3380(2) 0.0433(10) Uani 1 1 d . . . . .
H62 H 1.142420 1.016107 0.358608 0.052 Uiso 1 1 calc R U . . .
C63 C 1.0517(2) 0.9495(3) 0.2521(2) 0.0380(9) Uani 1 1 d . . . . .
H63 H 1.096986 0.937825 0.213976 0.046 Uiso 1 1 calc R U . . .
C64 C 0.9595(2) 0.9188(2) 0.2202(2) 0.0281(8) Uani 1 1 d . . . . .
C65 C 0.9339(2) 0.8655(2) 0.1266(2) 0.0295(8) Uani 1 1 d . . . . .
H65A H 0.987796 0.868087 0.097447 0.035 Uiso 1 1 calc R U . . .
H65B H 0.921204 0.802718 0.113705 0.035 Uiso 1 1 calc R U . . .
C66 C 0.8625(2) 0.9927(2) 0.1213(2) 0.0285(8) Uani 1 1 d . . . . .
H66A H 0.913337 1.005668 0.094396 0.034 Uiso 1 1 calc R U . . .
H66B H 0.880001 1.022898 0.183229 0.034 Uiso 1 1 calc R U . . .
C67 C 0.7743(2) 1.0277(2) 0.09967(19) 0.0255(8) Uani 1 1 d . . . . .
C68 C 0.7760(3) 1.1082(2) 0.0952(2) 0.0372(9) Uani 1 1 d . . . . .
H68 H 0.833386 1.140192 0.102954 0.045 Uiso 1 1 calc R U . . .
C69 C 0.6932(3) 1.1402(3) 0.0794(2) 0.0439(10) Uani 1 1 d . . . . .
H69 H 0.692074 1.195681 0.077845 0.053 Uiso 1 1 calc R U . . .
C70 C 0.6114(3) 1.0904(3) 0.0658(2) 0.0390(9) Uani 1 1 d . . . . .
H70 H 0.553292 1.110496 0.053338 0.047 Uiso 1 1 calc R U . . .
C71 C 0.6153(2) 1.0109(2) 0.0706(2) 0.0298(8) Uani 1 1 d . . . . .
H71 H 0.558792 0.976849 0.060552 0.036 Uiso 1 1 calc R U . . .
C72 C 0.8441(2) 0.8523(2) -0.00134(19) 0.0285(8) Uani 1 1 d . . . . .
H72A H 0.905818 0.856711 -0.019174 0.034 Uiso 1 1 calc R U . . .
H72B H 0.800172 0.883557 -0.023616 0.034 Uiso 1 1 calc R U . . .
C73 C 0.8111(2) 0.7565(2) -0.0381(2) 0.0287(8) Uani 1 1 d . . . . .
H73A H 0.811497 0.728846 -0.100165 0.034 Uiso 1 1 calc R U . . .
H73B H 0.854825 0.725496 -0.015383 0.034 Uiso 1 1 calc R U . . .
C74 C 0.8163(2) 0.7060(2) 0.1825(2) 0.0270(8) Uani 1 1 d . . . . .
H74 H 0.827951 0.757174 0.235442 0.032 Uiso 1 1 calc R U . . .
C75 C 0.8452(2) 0.6266(2) 0.1768(2) 0.0288(8) Uani 1 1 d . . . . .
H75 H 0.875395 0.623068 0.225086 0.035 Uiso 1 1 calc R U . . .
C76 C 0.8299(2) 0.5516(2) 0.0997(2) 0.0304(8) Uani 1 1 d . . . . .
H76 H 0.849439 0.495801 0.094017 0.036 Uiso 1 1 calc R U . . .
C77 C 0.7856(2) 0.5598(2) 0.0313(2) 0.0262(8) Uani 1 1 d . . . . .
H77 H 0.774555 0.509687 -0.022429 0.031 Uiso 1 1 calc R U . . .
C78 C 0.7574(2) 0.6424(2) 0.04222(19) 0.0203(7) Uani 1 1 d . . . . .
C79 C 0.7044(2) 0.6527(2) -0.02985(19) 0.0245(7) Uani 1 1 d . . . . .
H79A H 0.727178 0.611501 -0.083541 0.029 Uiso 1 1 calc R U . . .
H79B H 0.637524 0.636917 -0.033331 0.029 Uiso 1 1 calc R U . . .
C80 C 0.6467(2) 0.7588(2) -0.07951(19) 0.0269(8) Uani 1 1 d . . . . .
H80A H 0.665369 0.726585 -0.137056 0.032 Uiso 1 1 calc R U . . .
H80B H 0.647928 0.822675 -0.064870 0.032 Uiso 1 1 calc R U . . .
C81 C 0.5488(2) 0.7275(2) -0.0799(2) 0.0262(8) Uani 1 1 d . . . . .
C82 C 0.4997(3) 0.6630(2) -0.1539(2) 0.0361(9) Uani 1 1 d . . . . .
H82 H 0.527149 0.641412 -0.205105 0.043 Uiso 1 1 calc R U . . .
C83 C 0.4114(3) 0.6295(2) -0.1543(2) 0.0417(10) Uani 1 1 d . . . . .
H83 H 0.378455 0.585947 -0.205208 0.050 Uiso 1 1 calc R U . . .
C84 C 0.3728(2) 0.6605(2) -0.0797(2) 0.0386(10) Uani 1 1 d . . . . .
H84 H 0.313373 0.636743 -0.078902 0.046 Uiso 1 1 calc R U . . .
C85 C 0.4193(2) 0.7260(2) -0.0054(2) 0.0311(8) Uani 1 1 d . . . . .
H85 H 0.390571 0.747199 0.045185 0.037 Uiso 1 1 calc R U . . .
C86 C 0.5078(2) 0.7613(2) -0.0039(2) 0.0251(8) Uani 1 1 d . . . . .
Y1 Y 0.69386(2) 0.85988(2) 0.14002(2) 0.02041(9) Uani 0.95 1 d . . P A 1
N1 N 0.77183(17) 0.71515(17) 0.11646(15) 0.0229(6) Uani 1 1 d . . . . .
N2 N 0.71579(17) 0.74511(17) -0.01862(15) 0.0224(6) Uani 1 1 d . . . . .
N3 N 0.85136(17) 0.89625(17) 0.09231(16) 0.0239(6) Uani 1 1 d . . . . .
N4 N 0.69501(18) 0.97964(17) 0.08873(15) 0.0244(6) Uani 1 1 d . . . . .
O1 O 0.80307(14) 0.91286(14) 0.24957(13) 0.0265(5) Uani 1 1 d . . . . .
O2 O 0.55367(15) 0.82355(15) 0.06629(13) 0.0284(5) Uani 1 1 d . . . . .
O3 O 0.61590(14) 0.97993(14) 0.23141(13) 0.0239(5) Uani 1 1 d . . . . .
O4 O 0.62734(14) 0.79761(14) 0.21450(13) 0.0233(5) Uani 1 1 d . . . . .
P1 P 0.59380(6) 1.07149(5) 0.29060(5) 0.02002(19) Uani 1 1 d . . . . .
P2 P 0.57832(6) 0.75154(5) 0.25518(5) 0.01997(19) Uani 1 1 d . . . . .
Dy1 Dy 0.69386(2) 0.85988(2) 0.14002(2) 0.02041(9) Uani 0.05 1 d . . 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
B1 C1 1.654(5) . ?
B1 C7 1.647(5) . ?
B1 C13 1.650(5) . ?
B1 C19 1.659(5) . ?
C1 C2 1.399(4) . ?
C1 C6 1.410(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.395(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.387(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(5) . ?
C7 C12 1.406(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.366(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.406(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(5) . ?
C13 C18 1.406(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.392(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.378(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.374(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(5) . ?
C19 C24 1.411(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.405(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.376(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.374(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.379(5) . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C26 1.444(7) . ?
C26 N6 1.135(6) . ?
C27 C28 1.440(6) . ?
C27 N5 1.124(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.389(5) . ?
C29 C34 1.395(4) . ?
C29 P2 1.805(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.377(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.380(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.375(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.382(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.384(5) . ?
C35 C40 1.399(4) . ?
C35 P2 1.794(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.385(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.372(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.384(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.381(5) . ?
C40 H40 0.9500 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.528(4) . ?
C41 P2 1.799(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.518(4) . ?
C43 C43 1.529(6) 2_665 ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.393(5) . ?
C44 C49 1.392(5) . ?
C44 P1 1.804(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.380(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.370(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.377(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.389(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.391(5) . ?
C50 C55 1.386(5) . ?
C50 P1 1.800(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.398(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.367(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.373(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.399(5) . ?
C55 H55 0.9500 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.519(4) . ?
C56 P1 1.793(3) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.532(4) . ?
C58 C58 1.518(6) 2_676 ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.404(4) . ?
C59 C64 1.412(5) . ?
C59 O1 1.320(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.375(5) . ?
C61 H61 0.9500 . ?
C61 C62 1.380(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.383(5) . ?
C63 H63 0.9500 . ?
C63 C64 1.394(4) . ?
C64 C65 1.502(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 N3 1.488(4) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66 C67 1.496(5) . ?
C66 N3 1.474(4) . ?
C67 C68 1.397(5) . ?
C67 N4 1.346(4) . ?
C68 H68 0.9500 . ?
C68 C69 1.372(5) . ?
C69 H69 0.9500 . ?
C69 C70 1.381(5) . ?
C70 H70 0.9500 . ?
C70 C71 1.384(5) . ?
C71 H71 0.9500 . ?
C71 N4 1.341(4) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C73 1.500(4) . ?
C72 N3 1.484(4) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 N2 1.487(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.371(5) . ?
C74 N1 1.353(4) . ?
C75 H75 0.9500 . ?
C75 C76 1.386(5) . ?
C76 H76 0.9500 . ?
C76 C77 1.381(4) . ?
C77 H77 0.9500 . ?
C77 C78 1.390(4) . ?
C78 C79 1.506(4) . ?
C78 N1 1.338(4) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 N2 1.487(4) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C81 1.506(5) . ?
C80 N2 1.495(4) . ?
C81 C82 1.394(4) . ?
C81 C86 1.411(5) . ?
C82 H82 0.9500 . ?
C82 C83 1.390(5) . ?
C83 H83 0.9500 . ?
C83 C84 1.373(5) . ?
C84 H84 0.9500 . ?
C84 C85 1.388(5) . ?
C85 H85 0.9500 . ?
C85 C86 1.401(5) . ?
C86 O2 1.324(4) . ?
Y1 N1 2.577(3) . ?
Y1 N2 2.672(3) . ?
Y1 N3 2.669(3) . ?
Y1 N4 2.565(3) . ?
Y1 O1 2.213(2) . ?
Y1 O2 2.221(2) . ?
Y1 O3 2.343(2) . ?
Y1 O4 2.298(2) . ?
N1 Dy1 2.577(3) . ?
N2 Dy1 2.672(3) . ?
N3 Dy1 2.669(3) . ?
N4 Dy1 2.565(3) . ?
O1 Dy1 2.213(2) . ?
O2 Dy1 2.221(2) . ?
O3 P1 1.491(2) . ?
O3 Dy1 2.343(2) . ?
O4 P2 1.494(2) . ?
O4 Dy1 2.298(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 B1 C19 110.5(3) . . ?
C7 B1 C1 111.5(3) . . ?
C7 B1 C13 108.2(3) . . ?
C7 B1 C19 107.6(3) . . ?
C13 B1 C1 109.8(3) . . ?
C13 B1 C19 109.2(3) . . ?
C2 C1 B1 124.3(3) . . ?
C2 C1 C6 113.9(3) . . ?
C6 C1 B1 121.7(3) . . ?
C1 C2 H2 118.3 . . ?
C3 C2 C1 123.5(3) . . ?
C3 C2 H2 118.3 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 118.9(3) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(3) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 118.1 . . ?
C5 C6 C1 123.8(3) . . ?
C5 C6 H6 118.1 . . ?
C8 C7 B1 125.2(3) . . ?
C8 C7 C12 115.1(4) . . ?
C12 C7 B1 119.4(4) . . ?
C7 C8 H8 118.2 . . ?
C9 C8 C7 123.6(4) . . ?
C9 C8 H8 118.2 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.5(5) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.6(5) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.0(5) . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 121.3(5) . . ?
C7 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C14 C13 B1 123.5(3) . . ?
C14 C13 C18 114.5(3) . . ?
C18 C13 B1 121.9(3) . . ?
C13 C14 H14 118.5 . . ?
C13 C14 C15 123.1(3) . . ?
C15 C14 H14 118.5 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(4) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.4 . . ?
C17 C16 C15 119.1(4) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.5(4) . . ?
C18 C17 H17 120.2 . . ?
C13 C18 H18 118.3 . . ?
C17 C18 C13 123.4(4) . . ?
C17 C18 H18 118.3 . . ?
C20 C19 B1 123.8(3) . . ?
C20 C19 C24 115.1(3) . . ?
C24 C19 B1 121.1(3) . . ?
C19 C20 H20 118.7 . . ?
C19 C20 C21 122.6(4) . . ?
C21 C20 H20 118.7 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.5(4) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(4) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.2(4) . . ?
C24 C23 H23 119.9 . . ?
C19 C24 H24 118.6 . . ?
C23 C24 C19 122.8(4) . . ?
C23 C24 H24 118.6 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
N6 C26 C25 179.5(5) . . ?
N5 C27 C28 176.8(6) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C34 119.8(3) . . ?
C30 C29 P2 122.4(3) . . ?
C34 C29 P2 117.8(2) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.1(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0(4) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.3(4) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.8 . . ?
C32 C33 C34 120.5(4) . . ?
C34 C33 H33 119.8 . . ?
C29 C34 H34 120.3 . . ?
C33 C34 C29 119.3(3) . . ?
C33 C34 H34 120.3 . . ?
C36 C35 C40 119.9(3) . . ?
C36 C35 P2 123.0(2) . . ?
C40 C35 P2 116.9(3) . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.2(3) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.6(3) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.6 . . ?
C37 C38 C39 120.8(3) . . ?
C39 C38 H38 119.6 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0(4) . . ?
C40 C39 H39 120.0 . . ?
C35 C40 H40 120.3 . . ?
C39 C40 C35 119.4(3) . . ?
C39 C40 H40 120.3 . . ?
H41A C41 H41B 108.2 . . ?
C42 C41 H41A 109.6 . . ?
C42 C41 H41B 109.6 . . ?
C42 C41 P2 110.1(2) . . ?
P2 C41 H41A 109.6 . . ?
P2 C41 H41B 109.6 . . ?
C41 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C43 C42 C41 113.3(3) . . ?
C43 C42 H42A 108.9 . . ?
C43 C42 H42B 108.9 . . ?
C42 C43 C43 112.2(3) . 2_665 ?
C42 C43 H43A 109.2 . . ?
C42 C43 H43B 109.2 . . ?
C43 C43 H43A 109.2 2_665 . ?
C43 C43 H43B 109.2 2_665 . ?
H43A C43 H43B 107.9 . . ?
C45 C44 P1 116.1(2) . . ?
C49 C44 C45 118.7(3) . . ?
C49 C44 P1 125.2(3) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 C44 120.6(3) . . ?
C46 C45 H45 119.7 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0(4) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.5(3) . . ?
C48 C47 H47 119.8 . . ?
C47 C48 H48 120.1 . . ?
C47 C48 C49 119.9(4) . . ?
C49 C48 H48 120.1 . . ?
C44 C49 H49 119.9 . . ?
C48 C49 C44 120.2(4) . . ?
C48 C49 H49 119.9 . . ?
C51 C50 P1 118.4(3) . . ?
C55 C50 C51 119.8(3) . . ?
C55 C50 P1 121.7(3) . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.6(4) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.1(4) . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 119.6 . . ?
C52 C53 C54 120.8(4) . . ?
C54 C53 H53 119.6 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 119.9(4) . . ?
C55 C54 H54 120.0 . . ?
C50 C55 C54 119.7(4) . . ?
C50 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
H56A C56 H56B 107.7 . . ?
C57 C56 H56A 108.8 . . ?
C57 C56 H56B 108.8 . . ?
C57 C56 P1 113.7(2) . . ?
P1 C56 H56A 108.8 . . ?
P1 C56 H56B 108.8 . . ?
C56 C57 H57A 109.1 . . ?
C56 C57 H57B 109.1 . . ?
C56 C57 C58 112.4(2) . . ?
H57A C57 H57B 107.9 . . ?
C58 C57 H57A 109.1 . . ?
C58 C57 H57B 109.1 . . ?
C57 C58 H58A 109.0 . . ?
C57 C58 H58B 109.0 . . ?
C58 C58 C57 113.1(3) 2_676 . ?
C58 C58 H58A 109.0 2_676 . ?
C58 C58 H58B 109.0 2_676 . ?
H58A C58 H58B 107.8 . . ?
C60 C59 C64 118.0(3) . . ?
O1 C59 C60 120.4(3) . . ?
O1 C59 C64 121.5(3) . . ?
C59 C60 H60 119.3 . . ?
C61 C60 C59 121.4(3) . . ?
C61 C60 H60 119.3 . . ?
C60 C61 H61 119.7 . . ?
C60 C61 C62 120.7(3) . . ?
C62 C61 H61 119.7 . . ?
C61 C62 H62 120.5 . . ?
C61 C62 C63 119.0(3) . . ?
C63 C62 H62 120.5 . . ?
C62 C63 H63 119.1 . . ?
C62 C63 C64 121.8(4) . . ?
C64 C63 H63 119.1 . . ?
C59 C64 C65 121.1(3) . . ?
C63 C64 C59 119.2(3) . . ?
C63 C64 C65 119.7(3) . . ?
C64 C65 H65A 108.8 . . ?
C64 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
N3 C65 C64 113.8(3) . . ?
N3 C65 H65A 108.8 . . ?
N3 C65 H65B 108.8 . . ?
H66A C66 H66B 108.0 . . ?
C67 C66 H66A 109.4 . . ?
C67 C66 H66B 109.4 . . ?
N3 C66 H66A 109.4 . . ?
N3 C66 H66B 109.4 . . ?
N3 C66 C67 111.0(3) . . ?
C68 C67 C66 120.5(3) . . ?
N4 C67 C66 116.5(3) . . ?
N4 C67 C68 122.9(3) . . ?
C67 C68 H68 120.6 . . ?
C69 C68 C67 118.7(3) . . ?
C69 C68 H68 120.6 . . ?
C68 C69 H69 120.5 . . ?
C68 C69 C70 119.0(3) . . ?
C70 C69 H69 120.5 . . ?
C69 C70 H70 120.5 . . ?
C69 C70 C71 119.0(3) . . ?
C71 C70 H70 120.5 . . ?
C70 C71 H71 118.4 . . ?
N4 C71 C70 123.2(3) . . ?
N4 C71 H71 118.4 . . ?
H72A C72 H72B 107.9 . . ?
C73 C72 H72A 109.2 . . ?
C73 C72 H72B 109.2 . . ?
N3 C72 H72A 109.2 . . ?
N3 C72 H72B 109.2 . . ?
N3 C72 C73 111.8(3) . . ?
C72 C73 H73A 109.2 . . ?
C72 C73 H73B 109.2 . . ?
H73A C73 H73B 107.9 . . ?
N2 C73 C72 112.2(3) . . ?
N2 C73 H73A 109.2 . . ?
N2 C73 H73B 109.2 . . ?
C75 C74 H74 118.3 . . ?
N1 C74 H74 118.3 . . ?
N1 C74 C75 123.3(3) . . ?
C74 C75 H75 120.5 . . ?
C74 C75 C76 119.0(3) . . ?
C76 C75 H75 120.5 . . ?
C75 C76 H76 120.7 . . ?
C77 C76 C75 118.5(3) . . ?
C77 C76 H76 120.7 . . ?
C76 C77 H77 120.4 . . ?
C76 C77 C78 119.1(3) . . ?
C78 C77 H77 120.4 . . ?
C77 C78 C79 120.5(3) . . ?
N1 C78 C77 122.7(3) . . ?
N1 C78 C79 116.7(3) . . ?
C78 C79 H79A 109.4 . . ?
C78 C79 H79B 109.4 . . ?
H79A C79 H79B 108.0 . . ?
N2 C79 C78 111.3(2) . . ?
N2 C79 H79A 109.4 . . ?
N2 C79 H79B 109.4 . . ?
H80A C80 H80B 107.7 . . ?
C81 C80 H80A 108.9 . . ?
C81 C80 H80B 108.9 . . ?
N2 C80 H80A 108.9 . . ?
N2 C80 H80B 108.9 . . ?
N2 C80 C81 113.2(3) . . ?
C82 C81 C80 120.7(3) . . ?
C82 C81 C86 119.7(3) . . ?
C86 C81 C80 119.5(3) . . ?
C81 C82 H82 119.3 . . ?
C83 C82 C81 121.4(4) . . ?
C83 C82 H82 119.3 . . ?
C82 C83 H83 120.6 . . ?
C84 C83 C82 118.8(3) . . ?
C84 C83 H83 120.6 . . ?
C83 C84 H84 119.5 . . ?
C83 C84 C85 121.1(3) . . ?
C85 C84 H84 119.5 . . ?
C84 C85 H85 119.5 . . ?
C84 C85 C86 121.0(3) . . ?
C86 C85 H85 119.5 . . ?
C85 C86 C81 117.9(3) . . ?
O2 C86 C81 119.9(3) . . ?
O2 C86 C85 122.1(3) . . ?
N1 Y1 N2 62.40(8) . . ?
N1 Y1 N3 82.96(8) . . ?
N3 Y1 N2 67.88(8) . . ?
N4 Y1 N1 140.09(8) . . ?
N4 Y1 N2 86.15(8) . . ?
N4 Y1 N3 61.63(8) . . ?
O1 Y1 N1 80.52(8) . . ?
O1 Y1 N2 126.52(8) . . ?
O1 Y1 N3 70.68(8) . . ?
O1 Y1 N4 102.49(8) . . ?
O1 Y1 O2 160.10(8) . . ?
O1 Y1 O3 81.81(7) . . ?
O1 Y1 O4 84.20(7) . . ?
O2 Y1 N1 107.83(8) . . ?
O2 Y1 N2 72.55(8) . . ?
O2 Y1 N3 127.41(8) . . ?
O2 Y1 N4 82.86(8) . . ?
O2 Y1 O3 81.72(8) . . ?
O2 Y1 O4 81.86(8) . . ?
O3 Y1 N1 146.30(8) . . ?
O3 Y1 N2 148.11(7) . . ?
O3 Y1 N3 117.49(8) . . ?
O3 Y1 N4 71.98(8) . . ?
O4 Y1 N1 70.49(8) . . ?
O4 Y1 N2 114.29(8) . . ?
O4 Y1 N3 146.15(8) . . ?
O4 Y1 N4 149.13(8) . . ?
O4 Y1 O3 79.37(7) . . ?
C74 N1 Y1 120.5(2) . . ?
C74 N1 Dy1 120.5(2) . . ?
C78 N1 C74 117.3(3) . . ?
C78 N1 Y1 121.38(19) . . ?
C78 N1 Dy1 121.38(19) . . ?
C73 N2 C80 108.7(2) . . ?
C73 N2 Y1 110.85(17) . . ?
C73 N2 Dy1 110.85(17) . . ?
C79 N2 C73 106.9(3) . . ?
C79 N2 C80 110.1(2) . . ?
C79 N2 Y1 109.93(17) . . ?
C79 N2 Dy1 109.93(17) . . ?
C80 N2 Y1 110.32(18) . . ?
C80 N2 Dy1 110.32(18) . . ?
C65 N3 Y1 111.90(19) . . ?
C65 N3 Dy1 111.90(19) . . ?
C66 N3 C65 110.0(2) . . ?
C66 N3 C72 107.7(2) . . ?
C66 N3 Y1 108.85(19) . . ?
C66 N3 Dy1 108.85(19) . . ?
C72 N3 C65 109.3(3) . . ?
C72 N3 Y1 109.00(18) . . ?
C72 N3 Dy1 109.00(18) . . ?
C67 N4 Y1 120.0(2) . . ?
C67 N4 Dy1 120.0(2) . . ?
C71 N4 C67 117.1(3) . . ?
C71 N4 Y1 120.8(2) . . ?
C71 N4 Dy1 120.8(2) . . ?
C59 O1 Y1 146.8(2) . . ?
C59 O1 Dy1 146.8(2) . . ?
C86 O2 Y1 141.7(2) . . ?
C86 O2 Dy1 141.7(2) . . ?
P1 O3 Y1 162.02(13) . . ?
P1 O3 Dy1 162.02(13) . . ?
P2 O4 Y1 174.46(13) . . ?
P2 O4 Dy1 174.46(13) . . ?
C50 P1 C44 109.49(15) . . ?
C56 P1 C44 104.57(14) . . ?
C56 P1 C50 106.85(15) . . ?
O3 P1 C44 112.71(14) . . ?
O3 P1 C50 110.34(14) . . ?
O3 P1 C56 112.57(14) . . ?
C35 P2 C29 107.27(15) . . ?
C35 P2 C41 109.47(15) . . ?
C41 P2 C29 106.68(14) . . ?
O4 P2 C29 110.58(14) . . ?
O4 P2 C35 110.69(14) . . ?
O4 P2 C41 111.97(14) . . ?
N1 Dy1 N2 62.40(8) . . ?
N1 Dy1 N3 82.96(8) . . ?
N3 Dy1 N2 67.88(8) . . ?
N4 Dy1 N1 140.09(8) . . ?
N4 Dy1 N2 86.15(8) . . ?
N4 Dy1 N3 61.63(8) . . ?
O1 Dy1 N1 80.52(8) . . ?
O1 Dy1 N2 126.52(8) . . ?
O1 Dy1 N3 70.68(8) . . ?
O1 Dy1 N4 102.49(8) . . ?
O1 Dy1 O2 160.10(8) . . ?
O1 Dy1 O3 81.81(7) . . ?
O1 Dy1 O4 84.20(7) . . ?
O2 Dy1 N1 107.83(8) . . ?
O2 Dy1 N2 72.55(8) . . ?
O2 Dy1 N3 127.41(8) . . ?
O2 Dy1 N4 82.86(8) . . ?
O2 Dy1 O3 81.72(8) . . ?
O2 Dy1 O4 81.86(8) . . ?
O3 Dy1 N1 146.30(8) . . ?
O3 Dy1 N2 148.11(7) . . ?
O3 Dy1 N3 117.49(8) . . ?
O3 Dy1 N4 71.98(8) . . ?
O4 Dy1 N1 70.49(8) . . ?
O4 Dy1 N2 114.29(8) . . ?
O4 Dy1 N3 146.15(8) . . ?
O4 Dy1 N4 149.13(8) . . ?
O4 Dy1 O3 79.37(7) . . ?

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
B1 C1 C2 C3 175.9(3) . . . . ?
B1 C1 C6 C5 -176.6(3) . . . . ?
B1 C7 C8 C9 -174.0(3) . . . . ?
B1 C7 C12 C11 173.0(4) . . . . ?
B1 C13 C14 C15 -176.9(3) . . . . ?
B1 C13 C18 C17 177.0(4) . . . . ?
B1 C19 C20 C21 -180.0(3) . . . . ?
B1 C19 C24 C23 178.7(3) . . . . ?
C1 B1 C7 C8 -18.5(5) . . . . ?
C1 B1 C7 C12 167.6(3) . . . . ?
C1 B1 C13 C14 -41.1(4) . . . . ?
C1 B1 C13 C18 142.8(3) . . . . ?
C1 B1 C19 C20 116.5(3) . . . . ?
C1 B1 C19 C24 -64.4(4) . . . . ?
C1 C2 C3 C4 1.3(5) . . . . ?
C2 C1 C6 C5 1.1(5) . . . . ?
C2 C3 C4 C5 0.0(5) . . . . ?
C3 C4 C5 C6 -0.7(5) . . . . ?
C4 C5 C6 C1 0.1(6) . . . . ?
C6 C1 C2 C3 -1.8(5) . . . . ?
C7 B1 C1 C2 135.5(3) . . . . ?
C7 B1 C1 C6 -47.0(4) . . . . ?
C7 B1 C13 C14 80.8(4) . . . . ?
C7 B1 C13 C18 -95.3(4) . . . . ?
C7 B1 C19 C20 -5.4(4) . . . . ?
C7 B1 C19 C24 173.7(3) . . . . ?
C7 C8 C9 C10 1.3(6) . . . . ?
C8 C7 C12 C11 -1.5(5) . . . . ?
C8 C9 C10 C11 -1.2(7) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C10 C11 C12 C7 1.5(7) . . . . ?
C12 C7 C8 C9 0.1(5) . . . . ?
C13 B1 C1 C2 -104.5(4) . . . . ?
C13 B1 C1 C6 73.0(4) . . . . ?
C13 B1 C7 C8 -139.4(3) . . . . ?
C13 B1 C7 C12 46.7(4) . . . . ?
C13 B1 C19 C20 -122.6(3) . . . . ?
C13 B1 C19 C24 56.5(4) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C14 C13 C18 C17 0.5(6) . . . . ?
C14 C15 C16 C17 0.9(6) . . . . ?
C15 C16 C17 C18 -0.9(7) . . . . ?
C16 C17 C18 C13 0.2(7) . . . . ?
C18 C13 C14 C15 -0.6(5) . . . . ?
C19 B1 C1 C2 16.0(5) . . . . ?
C19 B1 C1 C6 -166.5(3) . . . . ?
C19 B1 C7 C8 102.8(4) . . . . ?
C19 B1 C7 C12 -71.2(4) . . . . ?
C19 B1 C13 C14 -162.3(3) . . . . ?
C19 B1 C13 C18 21.5(5) . . . . ?
C19 C20 C21 C22 0.4(5) . . . . ?
C20 C19 C24 C23 -2.1(5) . . . . ?
C20 C21 C22 C23 -0.5(6) . . . . ?
C21 C22 C23 C24 -0.7(6) . . . . ?
C22 C23 C24 C19 2.1(6) . . . . ?
C24 C19 C20 C21 0.9(5) . . . . ?
C29 C30 C31 C32 0.0(5) . . . . ?
C30 C29 C34 C33 -1.5(5) . . . . ?
C30 C29 P2 C35 -45.2(3) . . . . ?
C30 C29 P2 C41 72.0(3) . . . . ?
C30 C29 P2 O4 -166.0(2) . . . . ?
C30 C31 C32 C33 0.3(6) . . . . ?
C31 C32 C33 C34 -1.3(6) . . . . ?
C32 C33 C34 C29 1.9(5) . . . . ?
C34 C29 C30 C31 0.6(5) . . . . ?
C34 C29 P2 C35 132.8(3) . . . . ?
C34 C29 P2 C41 -110.0(3) . . . . ?
C34 C29 P2 O4 12.0(3) . . . . ?
C35 C36 C37 C38 -1.0(6) . . . . ?
C36 C35 C40 C39 -1.2(5) . . . . ?
C36 C35 P2 C29 68.5(3) . . . . ?
C36 C35 P2 C41 -46.9(3) . . . . ?
C36 C35 P2 O4 -170.8(3) . . . . ?
C36 C37 C38 C39 -0.9(6) . . . . ?
C37 C38 C39 C40 1.8(6) . . . . ?
C38 C39 C40 C35 -0.7(6) . . . . ?
C40 C35 C36 C37 2.1(5) . . . . ?
C40 C35 P2 C29 -106.3(3) . . . . ?
C40 C35 P2 C41 138.3(3) . . . . ?
C40 C35 P2 O4 14.5(3) . . . . ?
C41 C42 C43 C43 -177.3(3) . . . 2_665 ?
C42 C41 P2 C29 61.1(3) . . . . ?
C42 C41 P2 C35 176.8(2) . . . . ?
C42 C41 P2 O4 -60.0(3) . . . . ?
C44 C45 C46 C47 -0.2(6) . . . . ?
C45 C44 C49 C48 0.4(5) . . . . ?
C45 C44 P1 C50 -179.7(2) . . . . ?
C45 C44 P1 C56 66.1(3) . . . . ?
C45 C44 P1 O3 -56.5(3) . . . . ?
C45 C46 C47 C48 1.4(6) . . . . ?
C46 C47 C48 C49 -1.7(6) . . . . ?
C47 C48 C49 C44 0.8(6) . . . . ?
C49 C44 C45 C46 -0.7(5) . . . . ?
C49 C44 P1 C50 2.2(3) . . . . ?
C49 C44 P1 C56 -112.0(3) . . . . ?
C49 C44 P1 O3 125.4(3) . . . . ?
C50 C51 C52 C53 -0.8(5) . . . . ?
C51 C50 C55 C54 -0.3(5) . . . . ?
C51 C50 P1 C44 123.6(3) . . . . ?
C51 C50 P1 C56 -123.7(3) . . . . ?
C51 C50 P1 O3 -1.0(3) . . . . ?
C51 C52 C53 C54 0.2(6) . . . . ?
C52 C53 C54 C55 0.4(6) . . . . ?
C53 C54 C55 C50 -0.4(6) . . . . ?
C55 C50 C51 C52 0.8(5) . . . . ?
C55 C50 P1 C44 -58.1(3) . . . . ?
C55 C50 P1 C56 54.6(3) . . . . ?
C55 C50 P1 O3 177.2(3) . . . . ?
C56 C57 C58 C58 -175.6(4) . . . 2_676 ?
C57 C56 P1 C44 -177.8(2) . . . . ?
C57 C56 P1 C50 66.2(3) . . . . ?
C57 C56 P1 O3 -55.1(3) . . . . ?
C59 C60 C61 C62 0.2(6) . . . . ?
C59 C64 C65 N3 49.1(4) . . . . ?
C60 C59 C64 C63 -0.5(5) . . . . ?
C60 C59 C64 C65 178.8(3) . . . . ?
C60 C59 O1 Y1 166.3(3) . . . . ?
C60 C59 O1 Dy1 166.3(3) . . . . ?
C60 C61 C62 C63 0.5(6) . . . . ?
C61 C62 C63 C64 -1.2(6) . . . . ?
C62 C63 C64 C59 1.2(6) . . . . ?
C62 C63 C64 C65 -178.1(3) . . . . ?
C63 C64 C65 N3 -131.6(3) . . . . ?
C64 C59 C60 C61 -0.2(5) . . . . ?
C64 C59 O1 Y1 -11.6(6) . . . . ?
C64 C59 O1 Dy1 -11.6(6) . . . . ?
C64 C65 N3 C66 50.2(4) . . . . ?
C64 C65 N3 C72 168.2(3) . . . . ?
C64 C65 N3 Y1 -70.9(3) . . . . ?
C64 C65 N3 Dy1 -70.9(3) . . . . ?
C66 C67 C68 C69 -176.7(3) . . . . ?
C66 C67 N4 C71 179.0(3) . . . . ?
C66 C67 N4 Y1 15.2(4) . . . . ?
C66 C67 N4 Dy1 15.2(4) . . . . ?
C67 C66 N3 C65 -170.7(3) . . . . ?
C67 C66 N3 C72 70.3(3) . . . . ?
C67 C66 N3 Y1 -47.8(3) . . . . ?
C67 C66 N3 Dy1 -47.8(3) . . . . ?
C67 C68 C69 C70 -2.1(6) . . . . ?
C68 C67 N4 C71 1.8(5) . . . . ?
C68 C67 N4 Y1 -162.0(3) . . . . ?
C68 C67 N4 Dy1 -162.0(3) . . . . ?
C68 C69 C70 C71 1.6(6) . . . . ?
C69 C70 C71 N4 0.7(5) . . . . ?
C70 C71 N4 C67 -2.3(5) . . . . ?
C70 C71 N4 Y1 161.3(3) . . . . ?
C70 C71 N4 Dy1 161.3(3) . . . . ?
C72 C73 N2 C79 -160.1(3) . . . . ?
C72 C73 N2 C80 81.1(3) . . . . ?
C72 C73 N2 Y1 -40.3(3) . . . . ?
C72 C73 N2 Dy1 -40.3(3) . . . . ?
C73 C72 N3 C65 73.5(3) . . . . ?
C73 C72 N3 C66 -167.1(3) . . . . ?
C73 C72 N3 Y1 -49.1(3) . . . . ?
C73 C72 N3 Dy1 -49.1(3) . . . . ?
C74 C75 C76 C77 -0.2(5) . . . . ?
C75 C74 N1 C78 -1.0(5) . . . . ?
C75 C74 N1 Y1 168.6(2) . . . . ?
C75 C74 N1 Dy1 168.6(2) . . . . ?
C75 C76 C77 C78 -0.5(5) . . . . ?
C76 C77 C78 C79 -176.8(3) . . . . ?
C76 C77 C78 N1 0.5(5) . . . . ?
C77 C78 C79 N2 -155.9(3) . . . . ?
C77 C78 N1 C74 0.3(4) . . . . ?
C77 C78 N1 Y1 -169.2(2) . . . . ?
C77 C78 N1 Dy1 -169.2(2) . . . . ?
C78 C79 N2 C73 74.8(3) . . . . ?
C78 C79 N2 C80 -167.3(3) . . . . ?
C78 C79 N2 Y1 -45.6(3) . . . . ?
C78 C79 N2 Dy1 -45.6(3) . . . . ?
C79 C78 N1 C74 177.6(3) . . . . ?
C79 C78 N1 Y1 8.1(4) . . . . ?
C79 C78 N1 Dy1 8.1(4) . . . . ?
C80 C81 C82 C83 176.1(3) . . . . ?
C80 C81 C86 C85 -175.5(3) . . . . ?
C80 C81 C86 O2 3.5(5) . . . . ?
C81 C80 N2 C73 166.0(3) . . . . ?
C81 C80 N2 C79 49.2(3) . . . . ?
C81 C80 N2 Y1 -72.3(3) . . . . ?
C81 C80 N2 Dy1 -72.3(3) . . . . ?
C81 C82 C83 C84 -0.6(5) . . . . ?
C81 C86 O2 Y1 -44.2(5) . . . . ?
C81 C86 O2 Dy1 -44.2(5) . . . . ?
C82 C81 C86 C85 2.0(5) . . . . ?
C82 C81 C86 O2 -179.0(3) . . . . ?
C82 C83 C84 C85 1.9(5) . . . . ?
C83 C84 C85 C86 -1.2(5) . . . . ?
C84 C85 C86 C81 -0.8(5) . . . . ?
C84 C85 C86 O2 -179.7(3) . . . . ?
C85 C86 O2 Y1 134.8(3) . . . . ?
C85 C86 O2 Dy1 134.8(3) . . . . ?
C86 C81 C82 C83 -1.4(5) . . . . ?
Y1 O3 P1 C44 8.9(5) . . . . ?
Y1 O3 P1 C50 131.7(4) . . . . ?
Y1 O3 P1 C56 -109.0(4) . . . . ?
N1 C74 C75 C76 0.9(5) . . . . ?
N1 C78 C79 N2 26.7(4) . . . . ?
N2 C80 C81 C82 -121.4(3) . . . . ?
N2 C80 C81 C86 56.1(4) . . . . ?
N3 C66 C67 C68 -158.9(3) . . . . ?
N3 C66 C67 N4 23.9(4) . . . . ?
N3 C72 C73 N2 62.7(4) . . . . ?
N4 C67 C68 C69 0.4(5) . . . . ?
O1 C59 C60 C61 -178.2(3) . . . . ?
O1 C59 C64 C63 177.5(3) . . . . ?
O1 C59 C64 C65 -3.3(5) . . . . ?
P1 C44 C45 C46 -178.9(3) . . . . ?
P1 C44 C49 C48 178.4(3) . . . . ?
P1 C50 C51 C52 179.1(3) . . . . ?
P1 C50 C55 C54 -178.5(3) . . . . ?
P1 C56 C57 C58 -179.6(2) . . . . ?
P2 C29 C30 C31 178.6(3) . . . . ?
P2 C29 C34 C33 -179.6(3) . . . . ?
P2 C35 C36 C37 -172.5(3) . . . . ?
P2 C35 C40 C39 173.7(3) . . . . ?
P2 C41 C42 C43 168.4(2) . . . . ?
Dy1 O3 P1 C44 8.9(5) . . . . ?
Dy1 O3 P1 C50 131.7(4) . . . . ?
Dy1 O3 P1 C56 -109.0(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 72.4 2.8 ?
2 0.440 0.500 0.500 286.7 46.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
