# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_2
_database_code_depnum_ccdc_archive 'CCDC 2036901'
loop_
_audit_author_name
_audit_author_address
wr
;Ningxia University
China
;
_audit_update_record             
;
2021-01-06 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_date             2021-01-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H30 Br2 Dy F9 N2 O6'
_chemical_formula_sum            'C52 H30 Br2 Dy F9 N2 O6'
_chemical_formula_weight         1272.10
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.614(5)
_cell_length_b                   11.155(3)
_cell_length_c                   23.874(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.322(8)
_cell_angle_gamma                90
_cell_volume                     4861(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8730
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.276
_cell_measurement_theta_min      2.883
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.268
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1309 before and 0.0656 after correction.
The Ratio of minimum to maximum transmission is 0.7639.
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    1.738
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2484
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.185
_exptl_crystal_size_min          0.072
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1325
_diffrn_reflns_av_unetI/netI     0.0875
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            91273
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.916
_diffrn_reflns_theta_min         2.883
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6488
_reflns_number_total             11113
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     714
_refine_ls_number_reflns         11113
_refine_ls_number_restraints     358
_refine_ls_R_factor_all          0.1210
_refine_ls_R_factor_gt           0.0513
_refine_ls_restrained_S_all      1.027
_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)+(0.0404P)²+1.1830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0985
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C33-C32 \\sim C33A-C32
 with sigma of 0.02
 F3A-C1 \\sim F2-C1 \\sim F2A-C1 \\sim F1-C1 \\sim F1A-C1 \\sim F3-C1
 with sigma of 0.02
 F3-F2 \\sim F2-F1 \\sim F3-F1
 with sigma of 0.02
 F3A-F2A \\sim F2A-F1A \\sim F3A-F1A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C40)
\\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C38) \\sim Ueq,
Uanis(C37) \\sim Ueq, Uanis(C36) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C33) \\sim Ueq: with sigma of 0.006 and sigma for terminal atoms of 0.012
Uanis(F1) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F7) \\sim
Ueq, Uanis(F9) \\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F5)
\\sim Ueq, Uanis(F6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.02
Uanis(F3A) \\sim Ueq, Uanis(F2A) \\sim Ueq, Uanis(F1A) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C33A) = Uanis(C33)
4. Rigid body (RIGU) restrains
 C32, C33, C42, C41, C40, C35, C34, C36, C37, C38, C39
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C32, C33A, C42A, C41A, C40A, C35A, C34A, C36A, C37A, C38A, C39A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C1, F2A, F3A, F1A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C1, F2, F3, F1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(C34A)=Sof(H34A)=Sof(C33A)=Sof(C42A)=Sof(H42A)=Sof(C41A)=Sof(H41A)=
 Sof(C40A)=Sof(C35A)=Sof(C36A)=Sof(H36A)=Sof(C37A)=Sof(H37A)=Sof(C38A)=
 Sof(H38A)=Sof(C39A)=Sof(H39A)=1-FVAR(1)
 Sof(C34)=Sof(H34)=Sof(C33)=Sof(C42)=Sof(H42)=Sof(C41)=Sof(H41)=Sof(C40)=
 Sof(C35)=Sof(C36)=Sof(H36)=Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38)=Sof(C39)=
 Sof(H39)=FVAR(1)
 Sof(F2A)=Sof(F1A)=Sof(F3A)=1-FVAR(2)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C17(H17), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28),
  C31(H31), C34(H34), C42(H42), C41(H41), C36(H36), C37(H37), C38(H38),
 C39(H39), C43(H43), C44(H44), C46(H46), C49(H49), C51(H51), C52(H52),
 C34A(H34A), C42A(H42A), C41A(H41A), C36A(H36A), C37A(H37A), C38A(H38A),
 C39A(H39A)
6.b Naphthalene refined as free rotating group:
 C34(C33,C42,C41,C40,C35,C36,C37,C38,C39), C34A(C33A,C42A,C41A,C40A,C35A,C36A,
 C37A,C38A,C39A)
;
_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 0.72431(2) 0.41788(2) 0.49513(2) 0.04240(9) Uani 1 1 d . . . . .
N1 N 0.7564(2) 0.3953(3) 0.60320(16) 0.0511(10) Uani 1 1 d . . . . .
Br1 Br 0.49793(3) 0.01110(5) 0.61831(3) 0.07177(18) Uani 1 1 d . . . . .
Br2 Br 0.84036(5) 0.33023(8) 0.79618(3) 0.1096(3) Uani 1 1 d . . . . .
N2 N 0.6449(2) 0.2758(3) 0.54085(15) 0.0414(9) Uani 1 1 d . . . . .
F1 F 0.9436(14) 0.617(2) 0.5833(6) 0.076(6) Uani 0.163(8) 1 d D U P A 1
F2 F 0.9476(13) 0.7566(12) 0.5288(11) 0.078(6) Uani 0.163(8) 1 d D U P A 1
F3 F 0.9961(11) 0.598(2) 0.5160(12) 0.111(7) Uani 0.163(8) 1 d D U P A 1
F4 F 0.9193(3) 0.1092(4) 0.5099(3) 0.166(2) Uani 1 1 d . U . . .
F5 F 0.8493(3) 0.0400(4) 0.5615(2) 0.1325(17) Uani 1 1 d . U . . .
F6 F 0.8530(3) -0.0416(4) 0.4832(2) 0.147(2) Uani 1 1 d . U . . .
F7 F 0.7495(3) 0.8227(4) 0.5673(2) 0.151(2) Uani 1 1 d . U . . .
F8 F 0.6406(3) 0.8315(4) 0.57290(19) 0.1405(18) Uani 1 1 d . U . . .
F9 F 0.6701(3) 0.9053(3) 0.50242(19) 0.1314(17) Uani 1 1 d . U . . .
O1 O 0.84054(18) 0.5037(3) 0.51408(13) 0.0563(9) Uani 1 1 d . . . . .
O2 O 0.73860(18) 0.5231(3) 0.41428(12) 0.0526(9) Uani 1 1 d . . . . .
O3 O 0.79661(18) 0.2470(3) 0.50601(14) 0.0605(9) Uani 1 1 d . . . . .
O4 O 0.68068(18) 0.2919(3) 0.42039(13) 0.0553(9) Uani 1 1 d . . . . .
O5 O 0.70602(19) 0.6075(3) 0.53342(13) 0.0540(9) Uani 1 1 d . . . . .
O6 O 0.60363(17) 0.4779(3) 0.45975(13) 0.0499(8) Uani 1 1 d . . . . .
C1 C 0.9368(3) 0.6419(5) 0.5290(2) 0.0719(13) Uani 1 1 d D . . . .
C2 C 0.8676(3) 0.5902(5) 0.4910(2) 0.0511(12) Uani 1 1 d . . . . .
C3 C 0.8426(3) 0.6422(4) 0.4391(2) 0.0547(13) Uani 1 1 d . . . . .
H3 H 0.868914 0.706011 0.428170 0.066 Uiso 1 1 calc R U . . .
C4 C 0.7795(3) 0.6045(4) 0.40172(19) 0.0450(12) Uani 1 1 d . . . . .
C5 C 0.7567(3) 0.6594(4) 0.3436(2) 0.0478(12) Uani 1 1 d . . . . .
C6 C 0.7929(3) 0.7595(5) 0.3254(2) 0.0598(14) Uani 1 1 d . . . . .
H6 H 0.831648 0.795015 0.350422 0.072 Uiso 1 1 calc R U . . .
C7 C 0.7716(3) 0.8041(5) 0.2718(2) 0.0687(16) Uani 1 1 d . . . . .
H7 H 0.796859 0.869023 0.260709 0.082 Uiso 1 1 calc R U . . .
C8 C 0.7132(3) 0.7557(5) 0.2330(2) 0.0608(15) Uani 1 1 d . . . . .
C9 C 0.6906(4) 0.8008(6) 0.1768(3) 0.0793(19) Uani 1 1 d . . . . .
H9 H 0.715254 0.865533 0.164945 0.095 Uiso 1 1 calc R U . . .
C10 C 0.6336(4) 0.7513(7) 0.1402(3) 0.092(2) Uani 1 1 d . . . . .
H10 H 0.618931 0.783232 0.103779 0.111 Uiso 1 1 calc R U . . .
C11 C 0.5967(4) 0.6523(8) 0.1568(3) 0.100(2) Uani 1 1 d . . . . .
H11 H 0.557682 0.618429 0.131417 0.120 Uiso 1 1 calc R U . . .
C12 C 0.6182(4) 0.6051(6) 0.2108(2) 0.0837(19) Uani 1 1 d . . . . .
H12 H 0.593899 0.538351 0.221297 0.100 Uiso 1 1 calc R U . . .
C13 C 0.6759(3) 0.6556(5) 0.2503(2) 0.0591(14) Uani 1 1 d . . . . .
C14 C 0.6994(3) 0.6109(4) 0.3065(2) 0.0532(13) Uani 1 1 d . . . . .
H14 H 0.674615 0.546227 0.318412 0.064 Uiso 1 1 calc R U . . .
C15 C 0.8542(4) 0.0624(6) 0.5084(4) 0.089(2) Uani 1 1 d . . . . .
C16 C 0.7935(3) 0.1483(5) 0.4804(3) 0.0591(14) Uani 1 1 d . . . . .
C17 C 0.7455(3) 0.1136(4) 0.4319(2) 0.0597(15) Uani 1 1 d . . . . .
H17 H 0.748754 0.035709 0.418716 0.072 Uiso 1 1 calc R U . . .
C18 C 0.6921(3) 0.1890(5) 0.4014(2) 0.0485(12) Uani 1 1 d . . . . .
C19 C 0.6475(3) 0.1564(4) 0.3453(2) 0.0493(13) Uani 1 1 d . . . . .
C20 C 0.6573(3) 0.0495(5) 0.3164(2) 0.0649(15) Uani 1 1 d . . . . .
H20 H 0.690333 -0.007956 0.334116 0.078 Uiso 1 1 calc R U . . .
C21 C 0.6185(4) 0.0299(6) 0.2625(3) 0.0766(18) Uani 1 1 d . . . . .
H21 H 0.625718 -0.041711 0.244424 0.092 Uiso 1 1 calc R U . . .
C22 C 0.5691(3) 0.1116(5) 0.2337(2) 0.0647(16) Uani 1 1 d . . . . .
C23 C 0.5332(4) 0.0965(7) 0.1766(3) 0.089(2) Uani 1 1 d . . . . .
H23 H 0.541619 0.027292 0.157175 0.107 Uiso 1 1 calc R U . . .
C24 C 0.4872(4) 0.1795(8) 0.1497(3) 0.101(2) Uani 1 1 d . . . . .
H24 H 0.463856 0.166841 0.111956 0.121 Uiso 1 1 calc R U . . .
C25 C 0.5075(3) 0.3041(6) 0.2329(3) 0.0775(18) Uani 1 1 d . . . . .
H25 H 0.498392 0.374087 0.251490 0.093 Uiso 1 1 calc R U . . .
C26 C 0.4735(4) 0.2864(7) 0.1778(3) 0.094(2) Uani 1 1 d . . . . .
H26 H 0.441501 0.343845 0.158802 0.113 Uiso 1 1 calc R U . . .
C27 C 0.5564(3) 0.2185(5) 0.2624(2) 0.0562(14) Uani 1 1 d . . . . .
C28 C 0.5971(3) 0.2371(5) 0.3184(2) 0.0535(13) Uani 1 1 d . . . . .
H28 H 0.589168 0.306883 0.337587 0.064 Uiso 1 1 calc R U . . .
C29 C 0.6856(4) 0.8145(6) 0.5364(3) 0.0795(18) Uani 1 1 d . . . . .
C30 C 0.6691(3) 0.6931(4) 0.5071(2) 0.0473(12) Uani 1 1 d . . . . .
C31 C 0.6150(3) 0.6874(4) 0.4600(2) 0.0513(13) Uani 1 1 d . . . . .
H31 H 0.598453 0.758108 0.441078 0.062 Uiso 1 1 calc R U . . .
C32 C 0.5827(3) 0.5769(5) 0.4384(2) 0.0472(11) Uani 1 1 d D . . . .
C34 C 0.5289(7) 0.6750(12) 0.3432(4) 0.054(4) Uani 0.351(15) 1 d G U P B 1
H34 H 0.565249 0.733328 0.349198 0.064 Uiso 0.351(15) 1 calc R U P B 1
C33 C 0.5262(7) 0.5889(14) 0.3848(4) 0.0481(15) Uani 0.351(15) 1 d DG U P B 1
C42 C 0.4719(8) 0.5016(12) 0.3758(5) 0.059(4) Uani 0.351(15) 1 d G U P B 1
H42 H 0.470091 0.444013 0.403661 0.071 Uiso 0.351(15) 1 calc R U P B 1
C41 C 0.4201(7) 0.5005(10) 0.3252(6) 0.077(5) Uani 0.351(15) 1 d G U P B 1
H41 H 0.383736 0.442125 0.319142 0.092 Uiso 0.351(15) 1 calc R U P B 1
C40 C 0.4228(6) 0.5866(9) 0.2835(4) 0.064(4) Uani 0.351(15) 1 d G U P B 1
C35 C 0.4771(6) 0.6738(10) 0.2925(4) 0.053(4) Uani 0.351(15) 1 d G U P B 1
C36 C 0.4798(7) 0.7599(12) 0.2509(4) 0.071(4) Uani 0.351(15) 1 d G U P B 1
H36 H 0.516150 0.818302 0.256926 0.086 Uiso 0.351(15) 1 calc R U P B 1
C37 C 0.4280(8) 0.7588(14) 0.2003(4) 0.078(5) Uani 0.351(15) 1 d G U P B 1
H37 H 0.429796 0.816419 0.172407 0.094 Uiso 0.351(15) 1 calc R U P B 1
C38 C 0.3737(8) 0.6716(15) 0.1913(4) 0.090(6) Uani 0.351(15) 1 d G U P B 1
H38 H 0.339039 0.670820 0.157377 0.108 Uiso 0.351(15) 1 calc R U P B 1
C39 C 0.3710(7) 0.5855(12) 0.2329(5) 0.079(5) Uani 0.351(15) 1 d G U P B 1
H39 H 0.334634 0.527104 0.226866 0.095 Uiso 0.351(15) 1 calc R U P B 1
C43 C 0.8101(3) 0.4607(5) 0.6333(2) 0.0700(17) Uani 1 1 d . . . . .
H43 H 0.830953 0.520057 0.614262 0.084 Uiso 1 1 calc R U . . .
C44 C 0.8367(3) 0.4461(6) 0.6903(2) 0.0803(19) Uani 1 1 d . . . . .
H44 H 0.873482 0.495552 0.709883 0.096 Uiso 1 1 calc R U . . .
C45 C 0.8073(3) 0.3561(5) 0.7179(2) 0.0648(15) Uani 1 1 d . . . . .
C46 C 0.7508(3) 0.2869(5) 0.6881(2) 0.0641(15) Uani 1 1 d . . . . .
H46 H 0.729882 0.226400 0.706422 0.077 Uiso 1 1 calc R U . . .
C47 C 0.7260(3) 0.3095(4) 0.63051(18) 0.0436(11) Uani 1 1 d . . . . .
C48 C 0.6623(3) 0.2458(4) 0.59644(18) 0.0407(11) Uani 1 1 d . . . . .
C49 C 0.6200(3) 0.1645(4) 0.6203(2) 0.0497(12) Uani 1 1 d . . . . .
H49 H 0.632643 0.144016 0.658701 0.060 Uiso 1 1 calc R U . . .
C50 C 0.5594(3) 0.1154(4) 0.5861(2) 0.0471(12) Uani 1 1 d . . . . .
C51 C 0.5407(3) 0.1453(4) 0.5296(2) 0.0470(12) Uani 1 1 d . . . . .
H51 H 0.499624 0.112747 0.505999 0.056 Uiso 1 1 calc R U . . .
C52 C 0.5853(3) 0.2254(4) 0.5091(2) 0.0468(12) Uani 1 1 d . . . . .
H52 H 0.573239 0.245990 0.470680 0.056 Uiso 1 1 calc R U . . .
C34A C 0.5114(4) 0.6459(8) 0.3436(2) 0.057(2) Uani 0.649(15) 1 d G . P B 2
H34A H 0.547323 0.703306 0.342360 0.068 Uiso 0.649(15) 1 calc R U P B 2
C33A C 0.5137(4) 0.5774(8) 0.3925(2) 0.0481(15) Uani 0.649(15) 1 d DG . P B 2
C42A C 0.4601(4) 0.4917(7) 0.3943(3) 0.059(2) Uani 0.649(15) 1 d G . P B 2
H42A H 0.461634 0.445844 0.427058 0.071 Uiso 0.649(15) 1 calc R U P B 2
C41A C 0.4041(3) 0.4744(6) 0.3471(3) 0.068(3) Uani 0.649(15) 1 d G . P B 2
H41A H 0.368149 0.416984 0.348303 0.082 Uiso 0.649(15) 1 calc R U P B 2
C40A C 0.4017(3) 0.5429(7) 0.2981(2) 0.063(3) Uani 0.649(15) 1 d G . P B 2
C35A C 0.4554(4) 0.6286(8) 0.29636(18) 0.064(3) Uani 0.649(15) 1 d G . P B 2
C36A C 0.4531(5) 0.6971(10) 0.2474(2) 0.102(4) Uani 0.649(15) 1 d G . P B 2
H36A H 0.488979 0.754498 0.246210 0.123 Uiso 0.649(15) 1 calc R U P B 2
C37A C 0.3971(5) 0.6798(12) 0.20021(19) 0.116(5) Uani 0.649(15) 1 d G . P B 2
H37A H 0.395495 0.725641 0.167453 0.140 Uiso 0.649(15) 1 calc R U P B 2
C38A C 0.3434(5) 0.5940(12) 0.2020(2) 0.114(5) Uani 0.649(15) 1 d G . P B 2
H38A H 0.305906 0.582483 0.170423 0.137 Uiso 0.649(15) 1 calc R U P B 2
C39A C 0.3457(4) 0.5256(10) 0.2510(3) 0.095(4) Uani 0.649(15) 1 d G . P B 2
H39A H 0.309802 0.468179 0.252148 0.114 Uiso 0.649(15) 1 calc R U P B 2
F2A F 0.9183(3) 0.7120(7) 0.5678(3) 0.151(3) Uani 0.837(8) 1 d D U P A 2
F1A F 0.9802(3) 0.5579(5) 0.5553(3) 0.114(2) Uani 0.837(8) 1 d D U P A 2
F3A F 0.9775(3) 0.7048(6) 0.5006(2) 0.123(3) Uani 0.837(8) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 N1 2.544(4) . ?
Dy1 N2 2.554(3) . ?
Dy1 O1 2.328(3) . ?
Dy1 O2 2.318(3) . ?
Dy1 O3 2.318(4) . ?
Dy1 O4 2.291(3) . ?
Dy1 O5 2.356(3) . ?
Dy1 O6 2.337(3) . ?
N1 C43 1.329(6) . ?
N1 C47 1.344(5) . ?
Br1 C50 1.896(4) . ?
Br2 C45 1.872(5) . ?
N2 C48 1.345(5) . ?
N2 C52 1.338(5) . ?
F1 C1 1.308(13) . ?
F2 C1 1.296(13) . ?
F3 C1 1.302(14) . ?
F4 C15 1.313(8) . ?
F5 C15 1.313(8) . ?
F6 C15 1.305(7) . ?
F7 C29 1.273(7) . ?
F8 C29 1.336(7) . ?
F9 C29 1.295(7) . ?
O1 C2 1.263(5) . ?
O2 C4 1.258(5) . ?
O3 C16 1.255(6) . ?
O4 C18 1.267(5) . ?
O5 C30 1.268(5) . ?
O6 C32 1.245(5) . ?
C1 C2 1.535(7) . ?
C1 F2A 1.309(7) . ?
C1 F1A 1.314(6) . ?
C1 F3A 1.315(6) . ?
C2 C3 1.365(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.394(7) . ?
C4 C5 1.499(6) . ?
C5 C6 1.415(7) . ?
C5 C14 1.359(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.357(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.392(8) . ?
C8 C9 1.416(7) . ?
C8 C13 1.418(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.353(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.398(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.378(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.401(8) . ?
C13 C14 1.418(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.532(8) . ?
C16 C17 1.372(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.394(7) . ?
C18 C19 1.476(7) . ?
C19 C20 1.407(6) . ?
C19 C28 1.367(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.364(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.379(8) . ?
C22 C23 1.405(8) . ?
C22 C27 1.419(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.338(9) . ?
C24 H24 0.9300 . ?
C24 C26 1.417(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.357(8) . ?
C25 C27 1.409(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.415(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.527(7) . ?
C30 C31 1.357(6) . ?
C31 H31 0.9300 . ?
C31 C32 1.422(6) . ?
C32 C33 1.495(8) . ?
C32 C33A 1.516(6) . ?
C34 H34 0.9300 . ?
C34 C33 1.3900 . ?
C34 C35 1.3900 . ?
C33 C42 1.3900 . ?
C42 H42 0.9300 . ?
C42 C41 1.3900 . ?
C41 H41 0.9300 . ?
C41 C40 1.3900 . ?
C40 C35 1.3900 . ?
C40 C39 1.3900 . ?
C35 C36 1.3900 . ?
C36 H36 0.9300 . ?
C36 C37 1.3900 . ?
C37 H37 0.9300 . ?
C37 C38 1.3900 . ?
C38 H38 0.9300 . ?
C38 C39 1.3900 . ?
C39 H39 0.9300 . ?
C43 H43 0.9300 . ?
C43 C44 1.364(7) . ?
C44 H44 0.9300 . ?
C44 C45 1.372(7) . ?
C45 C46 1.383(7) . ?
C46 H46 0.9300 . ?
C46 C47 1.385(6) . ?
C47 C48 1.481(6) . ?
C48 C49 1.394(6) . ?
C49 H49 0.9300 . ?
C49 C50 1.370(6) . ?
C50 C51 1.368(6) . ?
C51 H51 0.9300 . ?
C51 C52 1.372(6) . ?
C52 H52 0.9300 . ?
C34A H34A 0.9300 . ?
C34A C33A 1.3900 . ?
C34A C35A 1.3900 . ?
C33A C42A 1.3900 . ?
C42A H42A 0.9300 . ?
C42A C41A 1.3900 . ?
C41A H41A 0.9300 . ?
C41A C40A 1.3900 . ?
C40A C35A 1.3900 . ?
C40A C39A 1.3900 . ?
C35A C36A 1.3900 . ?
C36A H36A 0.9300 . ?
C36A C37A 1.3900 . ?
C37A H37A 0.9300 . ?
C37A C38A 1.3900 . ?
C38A H38A 0.9300 . ?
C38A C39A 1.3900 . ?
C39A H39A 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
N1 Dy1 N2 62.96(12) . . ?
O1 Dy1 N1 79.60(12) . . ?
O1 Dy1 N2 140.02(11) . . ?
O1 Dy1 O5 75.80(12) . . ?
O1 Dy1 O6 137.99(12) . . ?
O2 Dy1 N1 148.44(12) . . ?
O2 Dy1 N2 147.19(12) . . ?
O2 Dy1 O1 72.51(11) . . ?
O2 Dy1 O5 85.27(11) . . ?
O2 Dy1 O6 79.24(11) . . ?
O3 Dy1 N1 77.84(12) . . ?
O3 Dy1 N2 79.29(12) . . ?
O3 Dy1 O1 79.60(12) . . ?
O3 Dy1 O2 110.51(12) . . ?
O3 Dy1 O5 145.07(12) . . ?
O3 Dy1 O6 140.51(12) . . ?
O4 Dy1 N1 134.90(12) . . ?
O4 Dy1 N2 78.81(11) . . ?
O4 Dy1 O1 125.28(12) . . ?
O4 Dy1 O2 75.10(11) . . ?
O4 Dy1 O3 72.08(12) . . ?
O4 Dy1 O5 142.83(12) . . ?
O4 Dy1 O6 74.08(11) . . ?
O5 Dy1 N1 73.65(12) . . ?
O5 Dy1 N2 104.56(11) . . ?
O6 Dy1 N1 114.36(12) . . ?
O6 Dy1 N2 74.70(11) . . ?
O6 Dy1 O5 71.39(11) . . ?
C43 N1 Dy1 119.7(3) . . ?
C43 N1 C47 118.2(4) . . ?
C47 N1 Dy1 121.7(3) . . ?
C48 N2 Dy1 121.9(3) . . ?
C52 N2 Dy1 120.3(3) . . ?
C52 N2 C48 117.8(4) . . ?
C2 O1 Dy1 131.6(3) . . ?
C4 O2 Dy1 137.5(3) . . ?
C16 O3 Dy1 134.1(4) . . ?
C18 O4 Dy1 140.9(3) . . ?
C30 O5 Dy1 126.1(3) . . ?
C32 O6 Dy1 127.0(3) . . ?
F1 C1 C2 114.3(10) . . ?
F2 C1 F1 103.4(11) . . ?
F2 C1 F3 103.5(12) . . ?
F2 C1 C2 118.8(11) . . ?
F3 C1 F1 103.5(12) . . ?
F3 C1 C2 111.6(13) . . ?
F2A C1 C2 109.6(5) . . ?
F2A C1 F1A 108.1(6) . . ?
F2A C1 F3A 107.8(6) . . ?
F1A C1 C2 112.4(5) . . ?
F1A C1 F3A 105.3(5) . . ?
F3A C1 C2 113.4(5) . . ?
O1 C2 C1 112.9(4) . . ?
O1 C2 C3 128.8(5) . . ?
C3 C2 C1 118.3(5) . . ?
C2 C3 H3 118.4 . . ?
C2 C3 C4 123.2(5) . . ?
C4 C3 H3 118.4 . . ?
O2 C4 C3 122.6(4) . . ?
O2 C4 C5 116.2(4) . . ?
C3 C4 C5 121.2(4) . . ?
C6 C5 C4 122.8(5) . . ?
C14 C5 C4 118.9(4) . . ?
C14 C5 C6 118.3(5) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.7(5) . . ?
C7 C6 H6 119.7 . . ?
C6 C7 H7 119.0 . . ?
C6 C7 C8 122.1(5) . . ?
C8 C7 H7 119.0 . . ?
C7 C8 C9 122.8(6) . . ?
C7 C8 C13 118.3(5) . . ?
C9 C8 C13 118.9(6) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.1(6) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(6) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.9(7) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.3(7) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 C8 118.4(5) . . ?
C12 C13 C14 123.2(5) . . ?
C14 C13 C8 118.4(5) . . ?
C5 C14 C13 122.2(5) . . ?
C5 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
F4 C15 F5 106.8(7) . . ?
F4 C15 C16 111.1(6) . . ?
F5 C15 C16 110.8(6) . . ?
F6 C15 F4 107.4(7) . . ?
F6 C15 F5 106.1(6) . . ?
F6 C15 C16 114.2(6) . . ?
O3 C16 C15 112.1(6) . . ?
O3 C16 C17 128.3(5) . . ?
C17 C16 C15 119.6(6) . . ?
C16 C17 H17 118.3 . . ?
C16 C17 C18 123.4(5) . . ?
C18 C17 H17 118.3 . . ?
O4 C18 C17 120.8(5) . . ?
O4 C18 C19 116.4(5) . . ?
C17 C18 C19 122.8(5) . . ?
C20 C19 C18 123.4(5) . . ?
C28 C19 C18 118.4(4) . . ?
C28 C19 C20 118.1(5) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.2(6) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 118.6 . . ?
C20 C21 C22 122.9(5) . . ?
C22 C21 H21 118.6 . . ?
C21 C22 C23 123.3(6) . . ?
C21 C22 C27 118.2(5) . . ?
C23 C22 C27 118.5(6) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.5(7) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C26 120.8(7) . . ?
C26 C24 H24 119.6 . . ?
C26 C25 H25 119.4 . . ?
C26 C25 C27 121.3(6) . . ?
C27 C25 H25 119.4 . . ?
C24 C26 H26 120.4 . . ?
C25 C26 C24 119.3(7) . . ?
C25 C26 H26 120.4 . . ?
C25 C27 C22 118.7(5) . . ?
C25 C27 C28 123.2(5) . . ?
C28 C27 C22 118.0(5) . . ?
C19 C28 C27 122.6(5) . . ?
C19 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
F7 C29 F8 104.1(6) . . ?
F7 C29 F9 112.1(6) . . ?
F7 C29 C30 114.3(6) . . ?
F8 C29 C30 109.2(5) . . ?
F9 C29 F8 101.9(6) . . ?
F9 C29 C30 114.1(5) . . ?
O5 C30 C29 113.6(5) . . ?
O5 C30 C31 128.2(5) . . ?
C31 C30 C29 118.1(5) . . ?
C30 C31 H31 118.9 . . ?
C30 C31 C32 122.1(5) . . ?
C32 C31 H31 118.9 . . ?
O6 C32 C31 123.0(4) . . ?
O6 C32 C33 122.7(7) . . ?
O6 C32 C33A 116.8(5) . . ?
C31 C32 C33 114.1(7) . . ?
C31 C32 C33A 119.7(5) . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C33 C32 123.8(7) . . ?
C34 C33 C42 120.0 . . ?
C42 C33 C32 116.0(7) . . ?
C33 C42 H42 120.0 . . ?
C33 C42 C41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C40 C35 120.0 . . ?
C41 C40 C39 120.0 . . ?
C35 C40 C39 120.0 . . ?
C40 C35 C34 120.0 . . ?
C40 C35 C36 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C38 C39 C40 120.0 . . ?
C38 C39 H39 120.0 . . ?
N1 C43 H43 117.9 . . ?
N1 C43 C44 124.1(5) . . ?
C44 C43 H43 117.9 . . ?
C43 C44 H44 121.1 . . ?
C43 C44 C45 117.7(5) . . ?
C45 C44 H44 121.1 . . ?
C44 C45 Br2 120.5(4) . . ?
C44 C45 C46 119.8(5) . . ?
C46 C45 Br2 119.6(4) . . ?
C45 C46 H46 120.6 . . ?
C45 C46 C47 118.7(5) . . ?
C47 C46 H46 120.6 . . ?
N1 C47 C46 121.4(5) . . ?
N1 C47 C48 116.3(4) . . ?
C46 C47 C48 122.2(4) . . ?
N2 C48 C47 115.8(4) . . ?
N2 C48 C49 121.2(4) . . ?
C49 C48 C47 122.9(4) . . ?
C48 C49 H49 120.6 . . ?
C50 C49 C48 118.9(4) . . ?
C50 C49 H49 120.6 . . ?
C49 C50 Br1 119.8(4) . . ?
C51 C50 Br1 119.6(4) . . ?
C51 C50 C49 120.6(4) . . ?
C50 C51 H51 121.4 . . ?
C50 C51 C52 117.1(4) . . ?
C52 C51 H51 121.4 . . ?
N2 C52 C51 124.3(4) . . ?
N2 C52 H52 117.8 . . ?
C51 C52 H52 117.8 . . ?
C33A C34A H34A 120.0 . . ?
C33A C34A C35A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C34A C33A C32 119.5(4) . . ?
C42A C33A C32 119.1(4) . . ?
C42A C33A C34A 120.0 . . ?
C33A C42A H42A 120.0 . . ?
C33A C42A C41A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
C40A C41A C42A 120.0 . . ?
C40A C41A H41A 120.0 . . ?
C41A C40A C39A 120.0 . . ?
C35A C40A C41A 120.0 . . ?
C35A C40A C39A 120.0 . . ?
C40A C35A C34A 120.0 . . ?
C40A C35A C36A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C35A C36A C37A 120.0 . . ?
C37A C36A H36A 120.0 . . ?
C36A C37A H37A 120.0 . . ?
C38A C37A C36A 120.0 . . ?
C38A C37A H37A 120.0 . . ?
C37A C38A H38A 120.0 . . ?
C39A C38A C37A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C40A C39A H39A 120.0 . . ?
C38A C39A C40A 120.0 . . ?
C38A C39A H39A 120.0 . . ?

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 N1 C43 C44 -172.7(5) . . . . ?
Dy1 N1 C47 C46 171.0(4) . . . . ?
Dy1 N1 C47 C48 -12.2(5) . . . . ?
Dy1 N2 C48 C47 5.9(5) . . . . ?
Dy1 N2 C48 C49 -177.4(3) . . . . ?
Dy1 N2 C52 C51 177.9(3) . . . . ?
Dy1 O1 C2 C1 161.0(3) . . . . ?
Dy1 O1 C2 C3 -17.5(8) . . . . ?
Dy1 O2 C4 C3 11.7(7) . . . . ?
Dy1 O2 C4 C5 -168.5(3) . . . . ?
Dy1 O3 C16 C15 -176.2(4) . . . . ?
Dy1 O3 C16 C17 5.8(9) . . . . ?
Dy1 O4 C18 C17 3.1(8) . . . . ?
Dy1 O4 C18 C19 -175.2(3) . . . . ?
Dy1 O5 C30 C29 -162.6(4) . . . . ?
Dy1 O5 C30 C31 22.3(7) . . . . ?
Dy1 O6 C32 C31 -39.3(6) . . . . ?
Dy1 O6 C32 C33 134.9(8) . . . . ?
Dy1 O6 C32 C33A 148.6(4) . . . . ?
N1 C43 C44 C45 1.8(10) . . . . ?
N1 C47 C48 N2 4.0(6) . . . . ?
N1 C47 C48 C49 -172.6(4) . . . . ?
Br1 C50 C51 C52 177.1(3) . . . . ?
Br2 C45 C46 C47 178.5(4) . . . . ?
N2 C48 C49 C50 -0.4(7) . . . . ?
F1 C1 C2 O1 -20.4(15) . . . . ?
F1 C1 C2 C3 158.3(14) . . . . ?
F2 C1 C2 O1 -143.0(14) . . . . ?
F2 C1 C2 C3 35.7(16) . . . . ?
F3 C1 C2 O1 96.7(15) . . . . ?
F3 C1 C2 C3 -84.7(16) . . . . ?
F4 C15 C16 O3 -58.5(8) . . . . ?
F4 C15 C16 C17 119.7(7) . . . . ?
F5 C15 C16 O3 60.1(7) . . . . ?
F5 C15 C16 C17 -121.8(6) . . . . ?
F6 C15 C16 O3 179.8(6) . . . . ?
F6 C15 C16 C17 -2.0(10) . . . . ?
F7 C29 C30 O5 26.0(8) . . . . ?
F7 C29 C30 C31 -158.3(6) . . . . ?
F8 C29 C30 O5 -90.1(6) . . . . ?
F8 C29 C30 C31 85.6(7) . . . . ?
F9 C29 C30 O5 156.7(6) . . . . ?
F9 C29 C30 C31 -27.6(9) . . . . ?
O1 C2 C3 C4 -0.2(9) . . . . ?
O2 C4 C5 C6 173.7(4) . . . . ?
O2 C4 C5 C14 -6.8(6) . . . . ?
O3 C16 C17 C18 2.6(9) . . . . ?
O4 C18 C19 C20 175.1(4) . . . . ?
O4 C18 C19 C28 -0.9(6) . . . . ?
O5 C30 C31 C32 11.4(8) . . . . ?
O6 C32 C33 C34 -142.2(6) . . . . ?
O6 C32 C33 C42 33.0(11) . . . . ?
O6 C32 C33A C34A -136.6(4) . . . . ?
O6 C32 C33A C42A 30.2(6) . . . . ?
C1 C2 C3 C4 -178.5(5) . . . . ?
C2 C3 C4 O2 3.7(8) . . . . ?
C2 C3 C4 C5 -176.1(4) . . . . ?
C3 C4 C5 C6 -6.5(7) . . . . ?
C3 C4 C5 C14 173.0(5) . . . . ?
C4 C5 C6 C7 178.2(5) . . . . ?
C4 C5 C14 C13 -178.2(4) . . . . ?
C5 C6 C7 C8 1.1(8) . . . . ?
C6 C5 C14 C13 1.4(7) . . . . ?
C6 C7 C8 C9 -179.7(5) . . . . ?
C6 C7 C8 C13 -0.9(8) . . . . ?
C7 C8 C9 C10 179.9(6) . . . . ?
C7 C8 C13 C12 -178.6(5) . . . . ?
C7 C8 C13 C14 0.8(7) . . . . ?
C8 C9 C10 C11 -1.3(9) . . . . ?
C8 C13 C14 C5 -1.2(7) . . . . ?
C9 C8 C13 C12 0.3(7) . . . . ?
C9 C8 C13 C14 179.7(4) . . . . ?
C9 C10 C11 C12 0.2(10) . . . . ?
C10 C11 C12 C13 1.1(10) . . . . ?
C11 C12 C13 C8 -1.4(9) . . . . ?
C11 C12 C13 C14 179.2(5) . . . . ?
C12 C13 C14 C5 178.3(5) . . . . ?
C13 C8 C9 C10 1.1(8) . . . . ?
C14 C5 C6 C7 -1.3(7) . . . . ?
C15 C16 C17 C18 -175.2(6) . . . . ?
C16 C17 C18 O4 -6.7(8) . . . . ?
C16 C17 C18 C19 171.5(5) . . . . ?
C17 C18 C19 C20 -3.3(7) . . . . ?
C17 C18 C19 C28 -179.2(5) . . . . ?
C18 C19 C20 C21 -174.3(5) . . . . ?
C18 C19 C28 C27 174.3(4) . . . . ?
C19 C20 C21 C22 0.4(9) . . . . ?
C20 C19 C28 C27 -1.9(7) . . . . ?
C20 C21 C22 C23 174.8(6) . . . . ?
C20 C21 C22 C27 -2.4(9) . . . . ?
C21 C22 C23 C24 -178.1(6) . . . . ?
C21 C22 C27 C25 178.3(5) . . . . ?
C21 C22 C27 C28 2.1(8) . . . . ?
C22 C23 C24 C26 0.5(11) . . . . ?
C22 C27 C28 C19 0.0(7) . . . . ?
C23 C22 C27 C25 1.0(8) . . . . ?
C23 C22 C27 C28 -175.2(5) . . . . ?
C23 C24 C26 C25 -0.2(11) . . . . ?
C25 C27 C28 C19 -176.1(5) . . . . ?
C26 C25 C27 C22 -0.7(9) . . . . ?
C26 C25 C27 C28 175.3(5) . . . . ?
C27 C22 C23 C24 -0.9(10) . . . . ?
C27 C25 C26 C24 0.3(10) . . . . ?
C28 C19 C20 C21 1.7(8) . . . . ?
C29 C30 C31 C32 -163.5(5) . . . . ?
C30 C31 C32 O6 -3.0(7) . . . . ?
C30 C31 C32 C33 -177.7(8) . . . . ?
C30 C31 C32 C33A 168.9(5) . . . . ?
C31 C32 C33 C34 32.6(11) . . . . ?
C31 C32 C33 C42 -152.3(6) . . . . ?
C31 C32 C33A C34A 51.1(6) . . . . ?
C31 C32 C33A C42A -142.2(4) . . . . ?
C32 C33 C42 C41 -175.3(11) . . . . ?
C32 C33A C42A C41A -166.7(6) . . . . ?
C34 C33 C42 C41 0.0 . . . . ?
C34 C35 C36 C37 180.0 . . . . ?
C33 C34 C35 C40 0.0 . . . . ?
C33 C34 C35 C36 180.0 . . . . ?
C33 C42 C41 C40 0.0 . . . . ?
C42 C41 C40 C35 0.0 . . . . ?
C42 C41 C40 C39 180.0 . . . . ?
C41 C40 C35 C34 0.0 . . . . ?
C41 C40 C35 C36 180.0 . . . . ?
C41 C40 C39 C38 180.0 . . . . ?
C40 C35 C36 C37 0.0 . . . . ?
C35 C34 C33 C32 174.9(12) . . . . ?
C35 C34 C33 C42 0.0 . . . . ?
C35 C40 C39 C38 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C39 C40 C35 C34 180.0 . . . . ?
C39 C40 C35 C36 0.0 . . . . ?
C43 N1 C47 C46 -1.7(7) . . . . ?
C43 N1 C47 C48 175.1(5) . . . . ?
C43 C44 C45 Br2 -179.8(5) . . . . ?
C43 C44 C45 C46 -2.3(9) . . . . ?
C44 C45 C46 C47 0.9(9) . . . . ?
C45 C46 C47 N1 1.2(8) . . . . ?
C45 C46 C47 C48 -175.4(5) . . . . ?
C46 C47 C48 N2 -179.2(4) . . . . ?
C46 C47 C48 C49 4.2(7) . . . . ?
C47 N1 C43 C44 0.2(9) . . . . ?
C47 C48 C49 C50 176.0(4) . . . . ?
C48 N2 C52 C51 0.1(7) . . . . ?
C48 C49 C50 Br1 -176.7(3) . . . . ?
C48 C49 C50 C51 0.1(7) . . . . ?
C49 C50 C51 C52 0.2(7) . . . . ?
C50 C51 C52 N2 -0.4(7) . . . . ?
C52 N2 C48 C47 -176.4(4) . . . . ?
C52 N2 C48 C49 0.3(6) . . . . ?
C34A C33A C42A C41A 0.0 . . . . ?
C34A C35A C36A C37A 180.0 . . . . ?
C33A C34A C35A C40A 0.0 . . . . ?
C33A C34A C35A C36A 180.0 . . . . ?
C33A C42A C41A C40A 0.0 . . . . ?
C42A C41A C40A C35A 0.0 . . . . ?
C42A C41A C40A C39A 180.0 . . . . ?
C41A C40A C35A C34A 0.0 . . . . ?
C41A C40A C35A C36A 180.0 . . . . ?
C41A C40A C39A C38A 180.0 . . . . ?
C40A C35A C36A C37A 0.0 . . . . ?
C35A C34A C33A C32 166.7(6) . . . . ?
C35A C34A C33A C42A 0.0 . . . . ?
C35A C40A C39A C38A 0.0 . . . . ?
C35A C36A C37A C38A 0.0 . . . . ?
C36A C37A C38A C39A 0.0 . . . . ?
C37A C38A C39A C40A 0.0 . . . . ?
C39A C40A C35A C34A 180.0 . . . . ?
C39A C40A C35A C36A 0.0 . . . . ?
F2A C1 C2 O1 -79.0(7) . . . . ?
F2A C1 C2 C3 99.6(7) . . . . ?
F1A C1 C2 O1 41.3(7) . . . . ?
F1A C1 C2 C3 -140.1(6) . . . . ?
F3A C1 C2 O1 160.5(6) . . . . ?
F3A C1 C2 C3 -20.8(8) . . . . ?

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2054066'
loop_
_audit_author_name
_audit_author_address
EE
;Ningxia University
China
;
_audit_update_record             
;
2021-01-05 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_date             2020-12-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H31 Br Dy F9 N2 O6'
_chemical_formula_sum            'C52 H31 Br Dy F9 N2 O6'
_chemical_formula_weight         1193.20
_chemical_absolute_configuration unk
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   20.699(5)
_cell_length_b                   11.435(3)
_cell_length_c                   20.275(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4799.0(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.95
_cell_measurement_theta_min      2.65
_shelx_estimated_absorpt_T_max   0.790
_shelx_estimated_absorpt_T_min   0.755
_exptl_absorpt_coefficient_mu    2.477
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2348
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            43228
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.439
_diffrn_reflns_theta_min         2.035
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.879
_reflns_Friedel_fraction_full    0.962
_reflns_Friedel_fraction_max     0.926
_reflns_number_gt                8217
_reflns_number_total             10550
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details 
;
 Flack x determined using 3264 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         10550
_refine_ls_number_restraints     259
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+0.5336P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0780
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F3A-C1 \\sim F3-C1 \\sim F1A-C1 \\sim F1-C1 \\sim F2A-C1 \\sim F2-C1
 with sigma of 0.02
 F3A-F2A \\sim F3A-F1A \\sim F2A-F1A
 with sigma of 0.02
 F1A-C2 \\sim F3A-C2 \\sim F2A-C2
 with sigma of 0.02
 F3-F2 \\sim F3-F1 \\sim F2-F1
 with sigma of 0.02
 F3-C2 \\sim F2-C2 \\sim F1-C2
 with sigma of 0.02
 F9A-C29 \\sim F9-C29 \\sim F8A-C29 \\sim F8-C29 \\sim F7A-C29 \\sim F7-C29
 with sigma of 0.02
 F9A-F8A \\sim F9A-F7A \\sim F8A-F7A
 with sigma of 0.02
 F8A-C30 \\sim F7A-C30 \\sim F9A-C30
 with sigma of 0.02
 F9-F7 \\sim F8-F7 \\sim F9-F8
 with sigma of 0.02
 F9-C30 \\sim F8-C30 \\sim F7-C30
 with sigma of 0.02
 F6A-F4A \\sim F6A-F5A \\sim F5A-F4A
 with sigma of 0.02
 F6A-C16 \\sim F5A-C16 \\sim F4A-C16
 with sigma of 0.02
 F6-F5 \\sim F5-F4 \\sim F6-F4
 with sigma of 0.02
 F5-C16 \\sim F6-C16 \\sim F4-C16
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C4, C5, C6, C7, C8, C11, C12, C13, C14, C9, C10
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C4
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C1, F3, F2, F1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C1, F3A, F2A, F1A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F8A, C29, F9A, F7A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C29, F7, F8, F9
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C15, F6, F4, F5
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F6A, C15, F5A, F4A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Others
 Sof(F1A)=Sof(F3A)=Sof(F2A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
 Sof(F5A)=Sof(F6A)=Sof(F4A)=1-FVAR(2)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(2)
 Sof(F9A)=Sof(F7A)=Sof(F8A)=1-FVAR(3)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(3)
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C10(H10), C6(H6), C7(H7), C14(H14), C13(H13), C12(H12), C11(H11),
 C17(H17), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
  C31(H31), C34(H34), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C45(H45), C46(H46), C49(H49), C50(H50), C51(H51), C52(H52)
5.b Naphthalene refined as free rotating group:
 C10(C5,C6,C7,C8,C9,C14,C13,C12,C11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_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 0.55333(2) 0.35923(2) 0.49525(2) 0.04370(8) Uani 1 1 d . . . . .
Br1 Br 0.33730(7) 0.38039(16) 0.70198(7) 0.1442(6) Uani 1 1 d . . . . .
F1 F 0.5018(9) -0.0312(9) 0.6474(7) 0.149(6) Uani 0.72(2) 1 d D U P A 1
F2 F 0.5608(6) 0.0853(19) 0.7057(6) 0.159(7) Uani 0.72(2) 1 d D U P A 1
F3 F 0.4688(6) 0.1345(11) 0.6727(8) 0.137(6) Uani 0.72(2) 1 d D U P A 1
F4 F 0.6340(10) 0.6147(11) 0.6825(5) 0.138(6) Uani 0.73(2) 1 d D U P B 1
F5 F 0.5921(5) 0.7179(10) 0.6093(7) 0.122(5) Uani 0.73(2) 1 d D U P B 1
F6 F 0.6928(6) 0.7222(9) 0.6221(7) 0.092(3) Uani 0.73(2) 1 d D U P B 1
F7 F 0.6095(4) 0.2637(10) 0.2738(4) 0.111(3) Uani 0.768(16) 1 d D U P C 1
F8 F 0.5355(5) 0.3787(8) 0.2481(4) 0.109(4) Uani 0.768(16) 1 d D U P C 1
F9 F 0.5199(8) 0.2002(13) 0.2347(5) 0.174(6) Uani 0.768(16) 1 d D U P C 1
O1 O 0.5461(2) 0.2390(5) 0.5878(2) 0.0638(13) Uani 1 1 d . . . . .
O2 O 0.60467(19) 0.1868(4) 0.4685(2) 0.0545(11) Uani 1 1 d . . . . .
O3 O 0.6006(2) 0.4805(4) 0.5745(2) 0.0581(11) Uani 1 1 d . . . . .
O4 O 0.65436(18) 0.4111(4) 0.4584(2) 0.0523(10) Uani 1 1 d . . . . .
O5 O 0.5415(2) 0.3506(4) 0.3812(2) 0.0528(11) Uani 1 1 d . . . . .
O6 O 0.46287(18) 0.2434(4) 0.4723(2) 0.0531(11) Uani 1 1 d . . . . .
N1 N 0.4615(2) 0.4636(6) 0.5533(3) 0.0631(16) Uani 1 1 d . . . . .
N2 N 0.5280(3) 0.5665(5) 0.4560(3) 0.0617(15) Uani 1 1 d . . . . .
C1 C 0.5230(5) 0.0768(8) 0.6561(5) 0.096(2) Uani 1 1 d D U . . .
C2 C 0.5522(4) 0.1284(7) 0.5930(4) 0.068(2) Uani 1 1 d D . . . .
C3 C 0.5813(4) 0.0509(7) 0.5522(4) 0.074(2) Uani 1 1 d . . . . .
H3 H 0.582391 -0.027503 0.564449 0.089 Uiso 1 1 calc R . . . .
C4 C 0.6105(3) 0.0847(5) 0.4907(6) 0.0582(14) Uani 1 1 d . U . . .
C10 C 0.66203(19) 0.0255(3) 0.38555(19) 0.0700(18) Uani 1 1 d . U . . .
H10 H 0.643009 0.090618 0.366082 0.084 Uiso 1 1 calc R . . . .
C5 C 0.64951(19) -0.0006(3) 0.45127(19) 0.0614(15) Uani 1 1 d G U . . .
C6 C 0.6779(2) -0.0979(4) 0.48038(18) 0.083(2) Uani 1 1 d G U . . .
H6 H 0.669559 -0.115364 0.524349 0.100 Uiso 1 1 calc R . . . .
C7 C 0.7189(2) -0.1690(3) 0.4438(2) 0.089(2) Uani 1 1 d G U . . .
H7 H 0.737925 -0.234121 0.463229 0.107 Uiso 1 1 calc R . . . .
C8 C 0.73143(16) -0.1429(3) 0.37804(19) 0.078(2) Uani 1 1 d G U . . .
C9 C 0.70299(17) -0.0456(3) 0.34893(17) 0.0758(19) Uani 1 1 d G U . . .
C14 C 0.7155(3) -0.0195(4) 0.28321(17) 0.126(4) Uani 1 1 d G U . . .
H14 H 0.696495 0.045598 0.263741 0.151 Uiso 1 1 calc R . . . .
C13 C 0.7565(3) -0.0906(5) 0.24659(19) 0.155(5) Uani 1 1 d G U . . .
H13 H 0.764862 -0.073156 0.202618 0.186 Uiso 1 1 calc R . . . .
C12 C 0.7849(3) -0.1879(5) 0.2757(2) 0.126(4) Uani 1 1 d G U . . .
H12 H 0.812320 -0.235526 0.251189 0.151 Uiso 1 1 calc R . . . .
C11 C 0.7724(2) -0.2141(4) 0.3414(2) 0.102(3) Uani 1 1 d G U . . .
H11 H 0.791414 -0.279143 0.360883 0.122 Uiso 1 1 calc R . . . .
C15 C 0.6448(5) 0.6462(8) 0.6243(4) 0.0805(18) Uani 1 1 d . U . . .
C16 C 0.6476(3) 0.5487(6) 0.5726(3) 0.0539(16) Uani 1 1 d D . . . .
C17 C 0.6989(3) 0.5493(6) 0.5291(4) 0.0574(17) Uani 1 1 d . . . . .
H17 H 0.733290 0.599718 0.537074 0.069 Uiso 1 1 calc R . . . .
C18 C 0.7012(3) 0.4767(5) 0.4732(3) 0.0472(15) Uani 1 1 d . . . . .
C19 C 0.7567(3) 0.4769(5) 0.4276(3) 0.0472(14) Uani 1 1 d . . . . .
C20 C 0.7511(3) 0.4166(6) 0.3688(4) 0.0575(16) Uani 1 1 d . . . . .
H20 H 0.711747 0.382670 0.357797 0.069 Uiso 1 1 calc R . . . .
C21 C 0.8033(3) 0.4053(6) 0.3253(3) 0.0560(16) Uani 1 1 d . . . . .
C22 C 0.8631(3) 0.4562(7) 0.3416(4) 0.0576(19) Uani 1 1 d . . . . .
C23 C 0.8685(3) 0.5184(6) 0.4006(4) 0.0621(18) Uani 1 1 d . . . . .
H23 H 0.907654 0.553574 0.411376 0.075 Uiso 1 1 calc R . . . .
C24 C 0.8173(3) 0.5284(6) 0.4427(4) 0.0564(16) Uani 1 1 d . . . . .
H24 H 0.822242 0.569662 0.481918 0.068 Uiso 1 1 calc R . . . .
C25 C 0.7980(4) 0.3420(8) 0.2648(4) 0.080(2) Uani 1 1 d . . . . .
H25 H 0.758295 0.310683 0.252800 0.096 Uiso 1 1 calc R . . . .
C26 C 0.8498(5) 0.3265(10) 0.2244(5) 0.100(3) Uani 1 1 d . . . . .
H26 H 0.846069 0.281208 0.186474 0.120 Uiso 1 1 calc R . . . .
C27 C 0.9100(5) 0.3808(10) 0.2410(6) 0.099(3) Uani 1 1 d . . . . .
H27 H 0.944849 0.374622 0.212212 0.119 Uiso 1 1 calc R . . . .
C28 C 0.9168(4) 0.4407(8) 0.2977(4) 0.075(2) Uani 1 1 d . . . . .
H28 H 0.956741 0.472400 0.308625 0.090 Uiso 1 1 calc R . . . .
C29 C 0.5453(4) 0.2735(7) 0.2754(4) 0.0748(17) Uani 1 1 d D U . . .
C30 C 0.5195(3) 0.2694(6) 0.3459(3) 0.0572(16) Uani 1 1 d D . . . .
C31 C 0.4775(3) 0.1818(7) 0.3630(3) 0.0617(18) Uani 1 1 d . . . . .
H31 H 0.466928 0.125718 0.331662 0.074 Uiso 1 1 calc R . . . .
C32 C 0.4500(3) 0.1735(6) 0.4259(4) 0.0530(16) Uani 1 1 d . . . . .
C33 C 0.4036(3) 0.0764(6) 0.4426(4) 0.0529(15) Uani 1 1 d . . . . .
C34 C 0.3838(3) 0.0637(6) 0.5053(5) 0.064(2) Uani 1 1 d . . . . .
H34 H 0.399201 0.115548 0.536936 0.076 Uiso 1 1 calc R . . . .
C35 C 0.3398(3) -0.0270(6) 0.5255(4) 0.0605(17) Uani 1 1 d . . . . .
C36 C 0.3159(3) -0.1028(5) 0.4773(4) 0.057(2) Uani 1 1 d . . . . .
C37 C 0.3375(4) -0.0879(7) 0.4113(4) 0.068(2) Uani 1 1 d . . . . .
H37 H 0.322333 -0.138705 0.379030 0.082 Uiso 1 1 calc R . . . .
C38 C 0.3791(3) -0.0033(6) 0.3938(4) 0.0615(17) Uani 1 1 d . . . . .
H38 H 0.391947 0.003854 0.350031 0.074 Uiso 1 1 calc R . . . .
C39 C 0.3202(5) -0.0417(8) 0.5914(4) 0.081(3) Uani 1 1 d . . . . .
H39 H 0.337475 0.006063 0.624139 0.097 Uiso 1 1 calc R . . . .
C40 C 0.2759(5) -0.1258(7) 0.6078(5) 0.085(3) Uani 1 1 d . . . . .
H40 H 0.262588 -0.134214 0.651322 0.102 Uiso 1 1 calc R . . . .
C41 C 0.2506(4) -0.1994(7) 0.5587(5) 0.080(2) Uani 1 1 d . . . . .
H41 H 0.220456 -0.256266 0.569934 0.096 Uiso 1 1 calc R . . . .
C42 C 0.2698(3) -0.1883(5) 0.4955(6) 0.0726(17) Uani 1 1 d . . . . .
H42 H 0.252501 -0.237326 0.463454 0.087 Uiso 1 1 calc R . . . .
C43 C 0.4282(4) 0.4088(9) 0.5993(4) 0.077(2) Uani 1 1 d . . . . .
H43 H 0.436166 0.329814 0.606783 0.093 Uiso 1 1 calc R . . . .
C44 C 0.3808(4) 0.4658(11) 0.6377(5) 0.091(3) Uani 1 1 d . . . . .
C45 C 0.3684(5) 0.5788(12) 0.6255(6) 0.099(4) Uani 1 1 d . . . . .
H45 H 0.336020 0.617290 0.648816 0.118 Uiso 1 1 calc R . . . .
C46 C 0.4034(5) 0.6374(9) 0.5786(6) 0.093(3) Uani 1 1 d . . . . .
H46 H 0.395964 0.716587 0.571475 0.111 Uiso 1 1 calc R . . . .
C47 C 0.4497(3) 0.5798(7) 0.5418(4) 0.066(2) Uani 1 1 d . . . . .
C48 C 0.4870(3) 0.6341(5) 0.4913(8) 0.0716(19) Uani 1 1 d . . . . .
C49 C 0.4814(4) 0.7549(7) 0.4715(6) 0.100(4) Uani 1 1 d . . . . .
H49 H 0.453137 0.803977 0.494035 0.120 Uiso 1 1 calc R . . . .
C50 C 0.5167(5) 0.7983(9) 0.4205(7) 0.114(4) Uani 1 1 d . . . . .
H50 H 0.513501 0.877267 0.410159 0.137 Uiso 1 1 calc R . . . .
C51 C 0.5557(5) 0.7308(9) 0.3852(7) 0.101(4) Uani 1 1 d . . . . .
H51 H 0.578028 0.759630 0.348838 0.122 Uiso 1 1 calc R . . . .
C52 C 0.5616(4) 0.6120(7) 0.4056(5) 0.072(2) Uani 1 1 d . . . . .
H52 H 0.590170 0.563788 0.382862 0.086 Uiso 1 1 calc R . . . .
F1A F 0.4677(11) 0.034(4) 0.6544(17) 0.150(13) Uani 0.28(2) 1 d D U P A 2
F3A F 0.520(2) 0.151(2) 0.7049(12) 0.152(15) Uani 0.28(2) 1 d D U P A 2
F2A F 0.5551(13) -0.006(3) 0.6845(14) 0.122(12) Uani 0.28(2) 1 d D U P A 2
F5A F 0.5881(12) 0.653(3) 0.6510(16) 0.106(8) Uani 0.27(2) 1 d D U P B 2
F6A F 0.6742(19) 0.734(2) 0.616(2) 0.109(11) Uani 0.27(2) 1 d D U P B 2
F4A F 0.6793(16) 0.589(2) 0.6821(10) 0.098(7) Uani 0.27(2) 1 d D U P B 2
F9A F 0.5667(15) 0.1659(19) 0.2600(11) 0.091(8) Uani 0.232(16) 1 d D U P C 2
F7A F 0.5947(15) 0.340(3) 0.2669(14) 0.129(11) Uani 0.232(16) 1 d D U P C 2
F8A F 0.5033(12) 0.293(3) 0.2326(10) 0.106(9) Uani 0.232(16) 1 d D U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.331(5) . ?
Dy1 O2 2.305(4) . ?
Dy1 O3 2.337(4) . ?
Dy1 O4 2.298(4) . ?
Dy1 O5 2.328(5) . ?
Dy1 O6 2.341(4) . ?
Dy1 N1 2.534(6) . ?
Dy1 N2 2.555(6) . ?
Br1 C44 1.861(11) . ?
F1 C1 1.322(11) . ?
F2 C1 1.278(12) . ?
F3 C1 1.343(12) . ?
F4 C15 1.253(13) . ?
F5 C15 1.399(14) . ?
F6 C15 1.321(13) . ?
F7 C29 1.334(10) . ?
F8 C29 1.338(10) . ?
F9 C29 1.288(10) . ?
O1 C2 1.276(8) . ?
O2 C4 1.257(7) . ?
O3 C16 1.248(7) . ?
O4 C18 1.262(6) . ?
O5 C30 1.257(7) . ?
O6 C32 1.262(7) . ?
N1 C43 1.320(11) . ?
N1 C47 1.370(10) . ?
N2 C48 1.353(11) . ?
N2 C52 1.342(10) . ?
C1 C2 1.534(12) . ?
C1 F1A 1.246(18) . ?
C1 F3A 1.305(17) . ?
C1 F2A 1.297(17) . ?
C2 C3 1.353(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.439(13) . ?
C4 C5 1.498(8) . ?
C10 H10 0.9300 . ?
C10 C5 1.3900 . ?
C10 C9 1.3900 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C8 C11 1.3900 . ?
C9 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C13 1.3900 . ?
C13 H13 0.9300 . ?
C13 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C11 1.3900 . ?
C11 H11 0.9300 . ?
C15 C16 1.532(10) . ?
C15 F5A 1.30(2) . ?
C15 F6A 1.19(3) . ?
C15 F4A 1.52(2) . ?
C16 C17 1.381(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.405(9) . ?
C18 C19 1.476(8) . ?
C19 C20 1.384(9) . ?
C19 C24 1.418(8) . ?
C20 H20 0.9300 . ?
C20 C21 1.399(9) . ?
C21 C22 1.407(10) . ?
C21 C25 1.428(11) . ?
C22 C23 1.397(11) . ?
C22 C28 1.434(11) . ?
C23 H23 0.9300 . ?
C23 C24 1.366(10) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.360(12) . ?
C26 H26 0.9300 . ?
C26 C27 1.434(14) . ?
C27 H27 0.9300 . ?
C27 C28 1.346(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.526(11) . ?
C29 F9A 1.345(17) . ?
C29 F7A 1.284(17) . ?
C29 F8A 1.248(17) . ?
C30 C31 1.371(9) . ?
C31 H31 0.9300 . ?
C31 C32 1.399(10) . ?
C32 C33 1.506(9) . ?
C33 C34 1.343(11) . ?
C33 C38 1.439(9) . ?
C34 H34 0.9300 . ?
C34 C35 1.440(9) . ?
C35 C36 1.395(9) . ?
C35 C39 1.408(11) . ?
C36 C37 1.422(10) . ?
C36 C42 1.415(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.342(10) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C39 C40 1.370(11) . ?
C40 H40 0.9300 . ?
C40 C41 1.404(12) . ?
C41 H41 0.9300 . ?
C41 C42 1.348(14) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C43 C44 1.412(12) . ?
C44 C45 1.340(14) . ?
C45 H45 0.9300 . ?
C45 C46 1.372(16) . ?
C46 H46 0.9300 . ?
C46 C47 1.382(11) . ?
C47 C48 1.425(15) . ?
C48 C49 1.443(11) . ?
C49 H49 0.9300 . ?
C49 C50 1.360(14) . ?
C50 H50 0.9300 . ?
C50 C51 1.326(16) . ?
C51 H51 0.9300 . ?
C51 C52 1.425(13) . ?
C52 H52 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 79.82(18) . . ?
O1 Dy1 O6 76.98(16) . . ?
O1 Dy1 N1 81.7(2) . . ?
O1 Dy1 N2 141.7(2) . . ?
O2 Dy1 O1 73.43(16) . . ?
O2 Dy1 O3 118.48(16) . . ?
O2 Dy1 O5 77.17(15) . . ?
O2 Dy1 O6 80.66(14) . . ?
O2 Dy1 N1 149.12(19) . . ?
O2 Dy1 N2 144.59(18) . . ?
O3 Dy1 O6 143.84(15) . . ?
O3 Dy1 N1 73.44(16) . . ?
O3 Dy1 N2 75.49(18) . . ?
O4 Dy1 O1 118.18(16) . . ?
O4 Dy1 O2 74.02(15) . . ?
O4 Dy1 O3 71.92(15) . . ?
O4 Dy1 O5 77.52(15) . . ?
O4 Dy1 O6 144.03(15) . . ?
O4 Dy1 N1 135.37(17) . . ?
O4 Dy1 N2 81.15(17) . . ?
O5 Dy1 O1 140.17(17) . . ?
O5 Dy1 O3 138.81(16) . . ?
O5 Dy1 O6 72.19(15) . . ?
O5 Dy1 N1 113.73(18) . . ?
O5 Dy1 N2 73.05(17) . . ?
O6 Dy1 N1 76.06(16) . . ?
O6 Dy1 N2 107.40(16) . . ?
N1 Dy1 N2 63.5(2) . . ?
C2 O1 Dy1 130.1(5) . . ?
C4 O2 Dy1 138.9(5) . . ?
C16 O3 Dy1 132.5(4) . . ?
C18 O4 Dy1 140.8(4) . . ?
C30 O5 Dy1 129.4(4) . . ?
C32 O6 Dy1 132.4(4) . . ?
C43 N1 Dy1 119.8(6) . . ?
C43 N1 C47 119.2(7) . . ?
C47 N1 Dy1 120.8(5) . . ?
C48 N2 Dy1 119.6(7) . . ?
C52 N2 Dy1 119.4(5) . . ?
C52 N2 C48 120.4(8) . . ?
F1 C1 F3 102.5(9) . . ?
F1 C1 C2 112.3(9) . . ?
F2 C1 F1 112.2(10) . . ?
F2 C1 F3 106.1(11) . . ?
F2 C1 C2 112.6(9) . . ?
F3 C1 C2 110.5(8) . . ?
F1A C1 C2 119.4(15) . . ?
F1A C1 F3A 103.1(17) . . ?
F1A C1 F2A 101.2(15) . . ?
F3A C1 C2 113.8(13) . . ?
F2A C1 C2 116.7(12) . . ?
F2A C1 F3A 99.7(16) . . ?
O1 C2 C1 114.2(8) . . ?
O1 C2 C3 130.1(8) . . ?
C3 C2 C1 115.7(7) . . ?
C2 C3 H3 118.7 . . ?
C2 C3 C4 122.7(7) . . ?
C4 C3 H3 118.7 . . ?
O2 C4 C3 121.4(7) . . ?
O2 C4 C5 117.7(8) . . ?
C3 C4 C5 120.9(6) . . ?
C5 C10 H10 120.0 . . ?
C5 C10 C9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C5 C4 118.2(4) . . ?
C10 C5 C6 120.0 . . ?
C6 C5 C4 121.5(4) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0 . . ?
C8 C7 H7 120.0 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 C11 120.0 . . ?
C9 C8 C11 120.0 . . ?
C8 C9 C10 120.0 . . ?
C14 C9 C10 120.0 . . ?
C14 C9 C8 120.0 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C8 C11 H11 120.0 . . ?
C12 C11 C8 120.0 . . ?
C12 C11 H11 120.0 . . ?
F4 C15 F5 103.5(10) . . ?
F4 C15 F6 110.8(10) . . ?
F4 C15 C16 116.2(9) . . ?
F5 C15 C16 107.9(8) . . ?
F6 C15 F5 101.2(9) . . ?
F6 C15 C16 115.3(9) . . ?
F5A C15 C16 111.5(12) . . ?
F5A C15 F4A 97.5(16) . . ?
F6A C15 C16 120(2) . . ?
F6A C15 F5A 117.8(19) . . ?
F6A C15 F4A 103.0(19) . . ?
F4A C15 C16 101.4(11) . . ?
O3 C16 C15 113.9(6) . . ?
O3 C16 C17 128.5(6) . . ?
C17 C16 C15 117.5(6) . . ?
C16 C17 H17 118.7 . . ?
C16 C17 C18 122.5(6) . . ?
C18 C17 H17 118.7 . . ?
O4 C18 C17 121.2(5) . . ?
O4 C18 C19 116.8(5) . . ?
C17 C18 C19 122.0(5) . . ?
C20 C19 C18 118.3(5) . . ?
C20 C19 C24 117.8(6) . . ?
C24 C19 C18 123.7(6) . . ?
C19 C20 H20 119.2 . . ?
C19 C20 C21 121.7(6) . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C22 119.5(7) . . ?
C20 C21 C25 121.9(7) . . ?
C22 C21 C25 118.5(7) . . ?
C21 C22 C28 119.0(8) . . ?
C23 C22 C21 118.9(7) . . ?
C23 C22 C28 122.1(7) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.0(6) . . ?
C24 C23 H23 119.5 . . ?
C19 C24 H24 119.4 . . ?
C23 C24 C19 121.1(7) . . ?
C23 C24 H24 119.4 . . ?
C21 C25 H25 119.2 . . ?
C26 C25 C21 121.6(8) . . ?
C26 C25 H25 119.2 . . ?
C25 C26 H26 120.4 . . ?
C25 C26 C27 119.1(9) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.7(9) . . ?
C28 C27 H27 119.6 . . ?
C22 C28 H28 119.6 . . ?
C27 C28 C22 120.8(8) . . ?
C27 C28 H28 119.6 . . ?
F7 C29 F8 102.5(7) . . ?
F7 C29 C30 111.6(7) . . ?
F8 C29 C30 111.2(7) . . ?
F9 C29 F7 109.7(9) . . ?
F9 C29 F8 105.0(9) . . ?
F9 C29 C30 115.9(7) . . ?
F9A C29 C30 107.7(11) . . ?
F7A C29 C30 114.9(13) . . ?
F7A C29 F9A 104.4(15) . . ?
F8A C29 C30 114.4(13) . . ?
F8A C29 F9A 103.3(14) . . ?
F8A C29 F7A 111.0(17) . . ?
O5 C30 C29 112.6(6) . . ?
O5 C30 C31 128.6(7) . . ?
C31 C30 C29 118.8(6) . . ?
C30 C31 H31 118.7 . . ?
C30 C31 C32 122.6(6) . . ?
C32 C31 H31 118.7 . . ?
O6 C32 C31 123.4(6) . . ?
O6 C32 C33 115.6(6) . . ?
C31 C32 C33 121.0(6) . . ?
C34 C33 C32 119.2(6) . . ?
C34 C33 C38 118.3(6) . . ?
C38 C33 C32 122.5(7) . . ?
C33 C34 H34 118.7 . . ?
C33 C34 C35 122.7(7) . . ?
C35 C34 H34 118.7 . . ?
C36 C35 C34 118.2(7) . . ?
C36 C35 C39 119.3(6) . . ?
C39 C35 C34 122.5(7) . . ?
C35 C36 C37 118.2(6) . . ?
C35 C36 C42 119.1(8) . . ?
C42 C36 C37 122.7(8) . . ?
C36 C37 H37 118.8 . . ?
C38 C37 C36 122.5(7) . . ?
C38 C37 H37 118.8 . . ?
C33 C38 H38 120.0 . . ?
C37 C38 C33 120.1(7) . . ?
C37 C38 H38 120.0 . . ?
C35 C39 H39 119.8 . . ?
C40 C39 C35 120.4(8) . . ?
C40 C39 H39 119.8 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0(9) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.7 . . ?
C42 C41 C40 120.5(7) . . ?
C42 C41 H41 119.7 . . ?
C36 C42 H42 119.6 . . ?
C41 C42 C36 120.7(8) . . ?
C41 C42 H42 119.6 . . ?
N1 C43 H43 118.9 . . ?
N1 C43 C44 122.2(10) . . ?
C44 C43 H43 118.9 . . ?
C43 C44 Br1 118.6(9) . . ?
C45 C44 Br1 122.8(8) . . ?
C45 C44 C43 118.5(10) . . ?
C44 C45 H45 120.1 . . ?
C44 C45 C46 119.8(9) . . ?
C46 C45 H45 120.1 . . ?
C45 C46 H46 119.7 . . ?
C45 C46 C47 120.5(9) . . ?
C47 C46 H46 119.7 . . ?
N1 C47 C46 119.7(9) . . ?
N1 C47 C48 116.6(6) . . ?
C46 C47 C48 123.7(8) . . ?
N2 C48 C47 118.0(6) . . ?
N2 C48 C49 116.8(11) . . ?
C47 C48 C49 125.0(9) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 C48 121.1(10) . . ?
C50 C49 H49 119.4 . . ?
C49 C50 H50 119.1 . . ?
C51 C50 C49 121.7(10) . . ?
C51 C50 H50 119.1 . . ?
C50 C51 H51 121.6 . . ?
C50 C51 C52 116.7(11) . . ?
C52 C51 H51 121.6 . . ?
N2 C52 C51 123.1(9) . . ?
N2 C52 H52 118.5 . . ?
C51 C52 H52 118.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C1 -161.0(5) . . . . ?
Dy1 O1 C2 C3 20.2(12) . . . . ?
Dy1 O2 C4 C3 -2.8(11) . . . . ?
Dy1 O2 C4 C5 177.6(3) . . . . ?
Dy1 O3 C16 C15 155.6(6) . . . . ?
Dy1 O3 C16 C17 -21.8(11) . . . . ?
Dy1 O4 C18 C17 -0.7(10) . . . . ?
Dy1 O4 C18 C19 -178.2(4) . . . . ?
Dy1 O5 C30 C29 -155.4(5) . . . . ?
Dy1 O5 C30 C31 24.1(10) . . . . ?
Dy1 O6 C32 C31 -25.9(10) . . . . ?
Dy1 O6 C32 C33 152.5(4) . . . . ?
Dy1 N1 C43 C44 173.7(6) . . . . ?
Dy1 N1 C47 C46 -173.9(6) . . . . ?
Dy1 N1 C47 C48 6.4(9) . . . . ?
Dy1 N2 C48 C47 -12.0(11) . . . . ?
Dy1 N2 C48 C49 172.0(6) . . . . ?
Dy1 N2 C52 C51 -172.9(7) . . . . ?
Br1 C44 C45 C46 178.3(8) . . . . ?
F1 C1 C2 O1 149.5(11) . . . . ?
F1 C1 C2 C3 -31.6(14) . . . . ?
F2 C1 C2 O1 -82.7(14) . . . . ?
F2 C1 C2 C3 96.2(14) . . . . ?
F3 C1 C2 O1 35.8(12) . . . . ?
F3 C1 C2 C3 -145.3(11) . . . . ?
F4 C15 C16 O3 50.0(15) . . . . ?
F4 C15 C16 C17 -132.3(14) . . . . ?
F5 C15 C16 O3 -65.6(11) . . . . ?
F5 C15 C16 C17 112.0(10) . . . . ?
F6 C15 C16 O3 -177.9(10) . . . . ?
F6 C15 C16 C17 -0.2(13) . . . . ?
F7 C29 C30 O5 60.3(9) . . . . ?
F7 C29 C30 C31 -119.3(9) . . . . ?
F8 C29 C30 O5 -53.5(9) . . . . ?
F8 C29 C30 C31 126.9(9) . . . . ?
F9 C29 C30 O5 -173.2(12) . . . . ?
F9 C29 C30 C31 7.2(14) . . . . ?
O1 C2 C3 C4 -1.9(14) . . . . ?
O2 C4 C5 C10 -17.1(7) . . . . ?
O2 C4 C5 C6 156.7(5) . . . . ?
O3 C16 C17 C18 8.0(12) . . . . ?
O4 C18 C19 C20 7.2(9) . . . . ?
O4 C18 C19 C24 -168.1(6) . . . . ?
O5 C30 C31 C32 2.5(12) . . . . ?
O6 C32 C33 C34 -5.8(9) . . . . ?
O6 C32 C33 C38 173.6(6) . . . . ?
N1 C43 C44 Br1 -179.3(6) . . . . ?
N1 C43 C44 C45 1.8(13) . . . . ?
N1 C47 C48 N2 3.8(12) . . . . ?
N1 C47 C48 C49 179.5(9) . . . . ?
N2 C48 C49 C50 -1.1(15) . . . . ?
C1 C2 C3 C4 179.4(7) . . . . ?
C2 C3 C4 O2 -7.5(12) . . . . ?
C2 C3 C4 C5 172.1(7) . . . . ?
C3 C4 C5 C10 163.3(6) . . . . ?
C3 C4 C5 C6 -22.9(8) . . . . ?
C4 C5 C6 C7 -173.7(4) . . . . ?
C10 C5 C6 C7 0.0 . . . . ?
C10 C9 C14 C13 180.0 . . . . ?
C5 C10 C9 C8 0.0 . . . . ?
C5 C10 C9 C14 180.0 . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C6 C7 C8 C11 180.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C7 C8 C9 C14 180.0 . . . . ?
C7 C8 C11 C12 180.0 . . . . ?
C8 C9 C14 C13 0.0 . . . . ?
C9 C10 C5 C4 173.9(4) . . . . ?
C9 C10 C5 C6 0.0 . . . . ?
C9 C8 C11 C12 0.0 . . . . ?
C9 C14 C13 C12 0.0 . . . . ?
C14 C13 C12 C11 0.0 . . . . ?
C13 C12 C11 C8 0.0 . . . . ?
C11 C8 C9 C10 180.0 . . . . ?
C11 C8 C9 C14 0.0 . . . . ?
C15 C16 C17 C18 -169.3(7) . . . . ?
C16 C17 C18 O4 3.5(10) . . . . ?
C16 C17 C18 C19 -179.1(6) . . . . ?
C17 C18 C19 C20 -170.3(6) . . . . ?
C17 C18 C19 C24 14.4(9) . . . . ?
C18 C19 C20 C21 -175.1(6) . . . . ?
C18 C19 C24 C23 175.1(6) . . . . ?
C19 C20 C21 C22 0.1(10) . . . . ?
C19 C20 C21 C25 179.3(7) . . . . ?
C20 C19 C24 C23 -0.2(9) . . . . ?
C20 C21 C22 C23 -1.0(10) . . . . ?
C20 C21 C22 C28 177.9(7) . . . . ?
C20 C21 C25 C26 -176.7(8) . . . . ?
C21 C22 C23 C24 1.2(11) . . . . ?
C21 C22 C28 C27 1.5(12) . . . . ?
C21 C25 C26 C27 -3.7(16) . . . . ?
C22 C21 C25 C26 2.5(13) . . . . ?
C22 C23 C24 C19 -0.6(10) . . . . ?
C23 C22 C28 C27 -179.6(9) . . . . ?
C24 C19 C20 C21 0.4(10) . . . . ?
C25 C21 C22 C23 179.9(7) . . . . ?
C25 C21 C22 C28 -1.3(11) . . . . ?
C25 C26 C27 C28 4.0(17) . . . . ?
C26 C27 C28 C22 -2.9(16) . . . . ?
C28 C22 C23 C24 -177.6(7) . . . . ?
C29 C30 C31 C32 -178.0(7) . . . . ?
C30 C31 C32 O6 -2.1(12) . . . . ?
C30 C31 C32 C33 179.5(7) . . . . ?
C31 C32 C33 C34 172.7(7) . . . . ?
C31 C32 C33 C38 -7.9(10) . . . . ?
C32 C33 C34 C35 -179.8(6) . . . . ?
C32 C33 C38 C37 -179.6(7) . . . . ?
C33 C34 C35 C36 -1.4(11) . . . . ?
C33 C34 C35 C39 178.6(8) . . . . ?
C34 C33 C38 C37 -0.2(11) . . . . ?
C34 C35 C36 C37 1.4(10) . . . . ?
C34 C35 C36 C42 -176.5(6) . . . . ?
C34 C35 C39 C40 177.0(8) . . . . ?
C35 C36 C37 C38 -0.9(12) . . . . ?
C35 C36 C42 C41 -2.2(11) . . . . ?
C35 C39 C40 C41 1.1(15) . . . . ?
C36 C35 C39 C40 -3.0(13) . . . . ?
C36 C37 C38 C33 0.3(12) . . . . ?
C37 C36 C42 C41 180.0(8) . . . . ?
C38 C33 C34 C35 0.7(11) . . . . ?
C39 C35 C36 C37 -178.6(8) . . . . ?
C39 C35 C36 C42 3.5(11) . . . . ?
C39 C40 C41 C42 0.2(14) . . . . ?
C40 C41 C42 C36 0.3(12) . . . . ?
C42 C36 C37 C38 176.9(7) . . . . ?
C43 N1 C47 C46 0.1(10) . . . . ?
C43 N1 C47 C48 -179.7(7) . . . . ?
C43 C44 C45 C46 -2.9(15) . . . . ?
C44 C45 C46 C47 2.7(16) . . . . ?
C45 C46 C47 N1 -1.2(14) . . . . ?
C45 C46 C47 C48 178.5(10) . . . . ?
C46 C47 C48 N2 -175.9(8) . . . . ?
C46 C47 C48 C49 -0.3(15) . . . . ?
C47 N1 C43 C44 -0.3(11) . . . . ?
C47 C48 C49 C50 -176.8(10) . . . . ?
C48 N2 C52 C51 -1.4(12) . . . . ?
C48 C49 C50 C51 2.8(17) . . . . ?
C49 C50 C51 C52 -3.5(17) . . . . ?
C50 C51 C52 N2 2.9(14) . . . . ?
C52 N2 C48 C47 176.5(7) . . . . ?
C52 N2 C48 C49 0.4(12) . . . . ?
F1A C1 C2 O1 97(3) . . . . ?
F1A C1 C2 C3 -84(3) . . . . ?
F3A C1 C2 O1 -25(3) . . . . ?
F3A C1 C2 C3 153(3) . . . . ?
F2A C1 C2 O1 -141(2) . . . . ?
F2A C1 C2 C3 38(2) . . . . ?
F5A C15 C16 O3 -13(2) . . . . ?
F5A C15 C16 C17 164(2) . . . . ?
F6A C15 C16 O3 -158(2) . . . . ?
F6A C15 C16 C17 20(3) . . . . ?
F4A C15 C16 O3 89.6(14) . . . . ?
F4A C15 C16 C17 -92.7(14) . . . . ?
F9A C29 C30 O5 130.6(16) . . . . ?
F9A C29 C30 C31 -49.0(17) . . . . ?
F7A C29 C30 O5 15(2) . . . . ?
F7A C29 C30 C31 -165(2) . . . . ?
F8A C29 C30 O5 -115(2) . . . . ?
F8A C29 C30 C31 65(2) . . . . ?

_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_3
_database_code_depnum_ccdc_archive 'CCDC 2054069'
loop_
_audit_author_name
_audit_author_address
ww
;Ningxia University
China
;
_audit_update_record             
;
2021-01-06 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H36 Dy F9 N2 O6'
_chemical_formula_weight         1142.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   20.2733(19)
_cell_length_b                   11.7442(10)
_cell_length_c                   19.7019(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4690.9(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9324
_cell_measurement_theta_min      2.65
_cell_measurement_theta_max      29.54

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_F_000             2276
_exptl_transmission_factor_min   0.6529
_exptl_transmission_factor_max   0.7459
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.683
_shelx_estimated_absorpt_T_min   0.729
_shelx_estimated_absorpt_T_max   0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47951
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.004
_diffrn_reflns_theta_max         29.574
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             12358
_reflns_number_gt                11382
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.842
_reflns_Friedel_fraction_max     0.882
_reflns_Friedel_fraction_full    0.951

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0070P)²+1.1805P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
; 
 Flack x determined using 4796 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.003(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         12358
_refine_ls_number_parameters     651
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0452
_refine_ls_wR_factor_gt          0.0435
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.19918(15) 0.4224(2) 0.70500(15) 0.0241(6) Uani 1 1 d . . . . .
C2 C 0.20236(17) 0.3558(3) 0.76523(17) 0.0306(7) Uani 1 1 d . . . . .
H2 H 0.243014 0.322196 0.778389 0.037 Uiso 1 1 calc R U . . .
C3 C 0.14776(19) 0.3399(3) 0.80415(18) 0.0363(8) Uani 1 1 d . . . . .
H3 H 0.150625 0.295245 0.844237 0.044 Uiso 1 1 calc R U . . .
C4 C 0.08711(18) 0.3889(3) 0.78566(18) 0.0368(8) Uani 1 1 d . . . . .
H4 H 0.049253 0.376385 0.813087 0.044 Uiso 1 1 calc R U . . .
C5 C 0.08217(16) 0.4544(3) 0.72846(17) 0.0324(7) Uani 1 1 d . . . . .
H5 H 0.041051 0.487952 0.716801 0.039 Uiso 1 1 calc R U . . .
C6 C 0.13803(16) 0.4727(3) 0.68643(16) 0.0251(6) Uani 1 1 d . . . . .
C7 C 0.13474(15) 0.5374(3) 0.62569(16) 0.0261(6) Uani 1 1 d . . . . .
H7 H 0.094685 0.574293 0.613788 0.031 Uiso 1 1 calc R U . . .
C8 C 0.18834(14) 0.5473(2) 0.58405(15) 0.0243(6) Uani 1 1 d . . . . .
H8 H 0.184882 0.589748 0.543149 0.029 Uiso 1 1 calc R U . . .
C9 C 0.24905(14) 0.4950(2) 0.60134(14) 0.0218(6) Uani 1 1 d . . . . .
C10 C 0.25401(15) 0.4361(2) 0.66174(15) 0.0242(6) Uani 1 1 d . . . . .
H10 H 0.295255 0.404234 0.674451 0.029 Uiso 1 1 calc R U . . .
C11 C 0.30630(14) 0.4911(2) 0.55446(15) 0.0222(6) Uani 1 1 d . . . . .
C12 C 0.31212(15) 0.5655(3) 0.49842(16) 0.0272(6) Uani 1 1 d . . . . .
H12 H 0.282271 0.627439 0.494164 0.033 Uiso 1 1 calc R U . . .
C13 C 0.36028(15) 0.5501(2) 0.44970(15) 0.0242(6) Uani 1 1 d . . . . .
C14 C 0.36280(18) 0.6377(3) 0.39196(17) 0.0310(7) Uani 1 1 d . . . . .
C15 C 0.27859(16) -0.0179(3) 0.68288(16) 0.0279(6) Uani 1 1 d . . . . .
C16 C 0.26132(18) 0.0182(3) 0.74924(17) 0.0376(8) Uani 1 1 d . . . . .
H16 H 0.281023 0.084726 0.767785 0.045 Uiso 1 1 calc R U . . .
C17 C 0.21657(19) -0.0419(3) 0.78666(18) 0.0404(8) Uani 1 1 d . . . . .
H17 H 0.204836 -0.016657 0.830849 0.048 Uiso 1 1 calc R U . . .
C18 C 0.1878(2) -0.1413(3) 0.75974(19) 0.0398(8) Uani 1 1 d . . . . .
H18 H 0.155879 -0.181356 0.785726 0.048 Uiso 1 1 calc R U . . .
C19 C 0.20474(18) -0.1809(3) 0.69755(19) 0.0357(8) Uani 1 1 d . . . . .
H19 H 0.186229 -0.250035 0.681281 0.043 Uiso 1 1 calc R U . . .
C20 C 0.25002(16) -0.1195(2) 0.65668(17) 0.0294(7) Uani 1 1 d . . . . .
C21 C 0.26651(19) -0.1526(3) 0.5898(2) 0.0381(8) Uani 1 1 d . . . . .
H21 H 0.248277 -0.220742 0.571803 0.046 Uiso 1 1 calc R U . . .
C22 C 0.30777(16) -0.0895(3) 0.55069(18) 0.0343(7) Uani 1 1 d . . . . .
H22 H 0.318063 -0.114171 0.506015 0.041 Uiso 1 1 calc R U . . .
C23 C 0.33564(15) 0.0129(2) 0.57575(16) 0.0250(6) Uani 1 1 d . . . . .
C24 C 0.32080(15) 0.0464(3) 0.64066(16) 0.0265(6) Uani 1 1 d . . . . .
H24 H 0.339455 0.114856 0.657719 0.032 Uiso 1 1 calc R U . . .
C25 C 0.37788(13) 0.0886(2) 0.53371(18) 0.0236(6) Uani 1 1 d . . . . .
C26 C 0.40529(16) 0.0482(3) 0.47130(16) 0.0297(7) Uani 1 1 d . . . . .
H26 H 0.400976 -0.030099 0.460063 0.036 Uiso 1 1 calc R U . . .
C27 C 0.43748(15) 0.1190(3) 0.42740(16) 0.0265(6) Uani 1 1 d . . . . .
C28 C 0.46644(19) 0.0663(3) 0.36259(18) 0.0375(8) Uani 1 1 d . . . . .
C29 C 0.65254(15) -0.0490(3) 0.50700(14) 0.0286(7) Uani 1 1 d . . . . .
C30 C 0.67791(19) -0.0638(3) 0.44051(18) 0.0380(8) Uani 1 1 d . . . . .
H30 H 0.665439 -0.012475 0.405500 0.046 Uiso 1 1 calc R U . . .
C31 C 0.72034(19) -0.1517(3) 0.4264(2) 0.0386(8) Uani 1 1 d . . . . .
H31 H 0.737487 -0.160363 0.381841 0.046 Uiso 1 1 calc R U . . .
C32 C 0.73855(18) -0.2288(3) 0.47758(19) 0.0361(8) Uani 1 1 d . . . . .
H32 H 0.768020 -0.289351 0.467366 0.043 Uiso 1 1 calc R U . . .
C33 C 0.71442(18) -0.2177(3) 0.54141(17) 0.0363(8) Uani 1 1 d . . . . .
H33 H 0.727303 -0.270501 0.575424 0.044 Uiso 1 1 calc R U . . .
C34 C 0.67018(16) -0.1283(3) 0.55824(17) 0.0295(7) Uani 1 1 d . . . . .
C35 C 0.64362(19) -0.1139(3) 0.62407(17) 0.0334(7) Uani 1 1 d . . . . .
H35 H 0.654776 -0.167021 0.658566 0.040 Uiso 1 1 calc R U . . .
C36 C 0.60244(16) -0.0258(3) 0.63927(16) 0.0287(6) Uani 1 1 d . . . . .
H36 H 0.584828 -0.019007 0.683771 0.034 Uiso 1 1 calc R U . . .
C37 C 0.58566(14) 0.0561(3) 0.58879(16) 0.0259(6) Uani 1 1 d . . . . .
C38 C 0.54168(14) 0.1551(2) 0.60222(17) 0.0249(6) Uani 1 1 d . . . . .
C39 C 0.51250(16) 0.1719(3) 0.66704(17) 0.0309(7) Uani 1 1 d . . . . .
H39 H 0.519665 0.116787 0.701551 0.037 Uiso 1 1 calc R U . . .
C40 C 0.47413(15) 0.2657(3) 0.68133(15) 0.0271(6) Uani 1 1 d . . . . .
C41 C 0.44483(17) 0.2778(3) 0.75309(18) 0.0350(8) Uani 1 1 d . . . . .
C42 C 0.61010(12) 0.0421(2) 0.5243(2) 0.0297(5) Uani 1 1 d . . . . .
H42 H 0.598118 0.095449 0.490249 0.036 Uiso 1 1 calc R U . . .
C43 C 0.45874(16) 0.6075(3) 0.60241(18) 0.0323(7) Uani 1 1 d . . . . .
H43 H 0.433108 0.567929 0.635172 0.039 Uiso 1 1 calc R U . . .
C44 C 0.46343(19) 0.7258(3) 0.6078(2) 0.0418(9) Uani 1 1 d . . . . .
C45 C 0.4983(2) 0.7809(3) 0.5570(2) 0.0492(10) Uani 1 1 d . . . . .
H45 H 0.500282 0.861693 0.556797 0.059 Uiso 1 1 calc R U . . .
C46 C 0.52996(19) 0.7205(3) 0.50699(19) 0.0424(9) Uani 1 1 d . . . . .
H46 H 0.554073 0.758875 0.472553 0.051 Uiso 1 1 calc R U . . .
C47 C 0.52617(16) 0.6018(3) 0.50755(15) 0.0307(8) Uani 1 1 d . . . . .
C48 C 0.56350(16) 0.5290(3) 0.45987(18) 0.0334(7) Uani 1 1 d . . . . .
C49 C 0.61666(19) 0.5688(4) 0.4206(2) 0.0465(9) Uani 1 1 d . . . . .
H49 H 0.628844 0.646835 0.422092 0.056 Uiso 1 1 calc R U . . .
C50 C 0.6507(2) 0.4943(4) 0.3803(2) 0.0520(12) Uani 1 1 d . . . . .
H50 H 0.686577 0.521471 0.353798 0.062 Uiso 1 1 calc R U . . .
C51 C 0.63393(18) 0.3803(4) 0.3775(2) 0.0446(9) Uani 1 1 d . . . . .
C52 C 0.58077(17) 0.3484(3) 0.41810(18) 0.0361(8) Uani 1 1 d . . . . .
H52 H 0.567918 0.270583 0.417288 0.043 Uiso 1 1 calc R U . . .
C53 C 0.6705(2) 0.2943(5) 0.3357(3) 0.0688(14) Uani 1 1 d . . . . .
H53A H 0.693349 0.332934 0.298369 0.103 Uiso 1 1 calc R U . . .
H53B H 0.639226 0.238819 0.317046 0.103 Uiso 1 1 calc R U . . .
H53C H 0.702827 0.254814 0.364204 0.103 Uiso 1 1 calc R U . . .
C54 C 0.4323(2) 0.7856(4) 0.6673(3) 0.0566(12) Uani 1 1 d . . . . .
H54A H 0.456921 0.767304 0.708765 0.085 Uiso 1 1 calc R U . . .
H54B H 0.386506 0.760503 0.672277 0.085 Uiso 1 1 calc R U . . .
H54C H 0.433393 0.868097 0.659757 0.085 Uiso 1 1 calc R U . . .
Dy1 Dy 0.44819(2) 0.34826(2) 0.52514(2) 0.01837(3) Uani 1 1 d . . . . .
F1 F 0.42309(13) 0.6537(2) 0.36888(14) 0.0620(8) Uani 1 1 d . . . . .
F2 F 0.33920(13) 0.73998(16) 0.41077(11) 0.0531(6) Uani 1 1 d . . . . .
F3 F 0.32636(12) 0.60508(19) 0.33928(10) 0.0477(5) Uani 1 1 d . . . . .
F4 F 0.44421(15) 0.1184(3) 0.30673(13) 0.0727(9) Uani 1 1 d . . . . .
F5 F 0.45145(14) -0.0418(2) 0.35372(15) 0.0718(9) Uani 1 1 d . . . . .
F6 F 0.53099(12) 0.0762(3) 0.36080(14) 0.0759(9) Uani 1 1 d . . . . .
F7 F 0.46480(16) 0.2030(3) 0.79734(13) 0.0832(10) Uani 1 1 d . . . . .
F8 F 0.37905(11) 0.2734(2) 0.75047(11) 0.0491(6) Uani 1 1 d . . . . .
F9 F 0.45825(14) 0.3798(3) 0.77988(13) 0.0660(8) Uani 1 1 d . . . . .
N1 N 0.48821(13) 0.5470(2) 0.55387(13) 0.0282(5) Uani 1 1 d . . . . .
N2 N 0.54645(12) 0.4188(2) 0.45810(14) 0.0288(6) Uani 1 1 d . . . . .
O1 O 0.34952(10) 0.41615(17) 0.56683(10) 0.0245(4) Uani 1 1 d . . . . .
O2 O 0.40222(10) 0.47173(17) 0.44460(10) 0.0254(4) Uani 1 1 d . . . . .
O3 O 0.38750(10) 0.18801(17) 0.55502(11) 0.0251(4) Uani 1 1 d . . . . .
O4 O 0.44816(10) 0.22626(18) 0.43183(10) 0.0260(5) Uani 1 1 d . . . . .
O5 O 0.53275(10) 0.22412(18) 0.55362(11) 0.0258(4) Uani 1 1 d . . . . .
O6 O 0.45871(11) 0.34783(17) 0.64332(11) 0.0265(5) 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
C1 C10 1.410(4) . ?
C1 C6 1.421(4) . ?
C1 C2 1.422(4) . ?
C2 C3 1.359(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.405(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.368(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.419(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.419(4) . ?
C7 C8 1.366(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.417(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.380(4) . ?
C9 C11 1.484(4) . ?
C10 H10 0.9500 . ?
C11 O1 1.266(3) . ?
C11 C12 1.413(4) . ?
C12 C13 1.381(4) . ?
C12 H12 0.9500 . ?
C13 O2 1.257(4) . ?
C13 C14 1.535(4) . ?
C14 F1 1.317(4) . ?
C14 F3 1.331(4) . ?
C14 F2 1.345(4) . ?
C15 C24 1.412(4) . ?
C15 C16 1.418(4) . ?
C15 C20 1.424(4) . ?
C16 C17 1.366(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.409(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.355(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.418(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.414(5) . ?
C21 C22 1.358(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.417(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.371(4) . ?
C23 C25 1.487(4) . ?
C24 H24 0.9500 . ?
C25 O3 1.255(3) . ?
C25 C26 1.430(4) . ?
C26 C27 1.366(5) . ?
C26 H26 0.9500 . ?
C27 O4 1.281(4) . ?
C27 C28 1.536(4) . ?
C28 F6 1.314(4) . ?
C28 F5 1.318(4) . ?
C28 F4 1.337(5) . ?
C29 C42 1.415(4) . ?
C29 C30 1.418(4) . ?
C29 C34 1.419(4) . ?
C30 C31 1.372(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.405(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.356(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.420(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.414(5) . ?
C35 C36 1.362(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.425(4) . ?
C36 H36 0.9500 . ?
C37 C42 1.373(6) . ?
C37 C38 1.489(4) . ?
C38 O5 1.268(4) . ?
C38 C39 1.421(5) . ?
C39 C40 1.378(4) . ?
C39 H39 0.9500 . ?
C40 O6 1.260(4) . ?
C40 C41 1.540(5) . ?
C41 F7 1.302(4) . ?
C41 F8 1.336(4) . ?
C41 F9 1.337(5) . ?
C42 H42 0.9500 . ?
C43 N1 1.333(4) . ?
C43 C44 1.397(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(6) . ?
C44 C54 1.506(6) . ?
C45 C46 1.374(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.397(5) . ?
C46 H46 0.9500 . ?
C47 N1 1.356(4) . ?
C47 C48 1.478(5) . ?
C48 N2 1.341(4) . ?
C48 C49 1.406(5) . ?
C49 C50 1.368(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.383(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.393(5) . ?
C51 C53 1.501(6) . ?
C52 N2 1.337(4) . ?
C52 H52 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
Dy1 O1 2.305(2) . ?
Dy1 O5 2.319(2) . ?
Dy1 O3 2.324(2) . ?
Dy1 O4 2.331(2) . ?
Dy1 O6 2.338(2) . ?
Dy1 O2 2.343(2) . ?
Dy1 N2 2.530(3) . ?
Dy1 N1 2.535(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
C10 C1 C6 119.0(3) . . ?
C10 C1 C2 122.1(3) . . ?
C6 C1 C2 118.9(3) . . ?
C3 C2 C1 120.6(3) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.7(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.5(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 122.4(3) . . ?
C7 C6 C1 118.7(3) . . ?
C5 C6 C1 118.9(3) . . ?
C8 C7 C6 121.0(3) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 120.6(3) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C10 C9 C8 119.2(3) . . ?
C10 C9 C11 117.7(3) . . ?
C8 C9 C11 122.9(3) . . ?
C9 C10 C1 121.4(3) . . ?
C9 C10 H10 119.3 . . ?
C1 C10 H10 119.3 . . ?
O1 C11 C12 121.5(3) . . ?
O1 C11 C9 116.3(2) . . ?
C12 C11 C9 122.2(3) . . ?
C13 C12 C11 121.4(3) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
O2 C13 C12 129.0(3) . . ?
O2 C13 C14 114.2(3) . . ?
C12 C13 C14 116.8(3) . . ?
F1 C14 F3 106.7(3) . . ?
F1 C14 F2 107.4(3) . . ?
F3 C14 F2 106.0(3) . . ?
F1 C14 C13 112.4(3) . . ?
F3 C14 C13 111.5(3) . . ?
F2 C14 C13 112.5(3) . . ?
C24 C15 C16 122.2(3) . . ?
C24 C15 C20 118.8(3) . . ?
C16 C15 C20 119.0(3) . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 120.0(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C20 120.2(3) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 122.8(3) . . ?
C21 C20 C15 118.2(3) . . ?
C19 C20 C15 118.9(3) . . ?
C22 C21 C20 121.6(3) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
C21 C22 C23 120.7(3) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 118.7(3) . . ?
C24 C23 C25 118.3(3) . . ?
C22 C23 C25 122.9(3) . . ?
C23 C24 C15 121.9(3) . . ?
C23 C24 H24 119.0 . . ?
C15 C24 H24 119.0 . . ?
O3 C25 C26 122.4(3) . . ?
O3 C25 C23 117.3(3) . . ?
C26 C25 C23 120.3(3) . . ?
C27 C26 C25 121.9(3) . . ?
C27 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
O4 C27 C26 129.5(3) . . ?
O4 C27 C28 112.8(3) . . ?
C26 C27 C28 117.6(3) . . ?
F6 C28 F5 108.2(3) . . ?
F6 C28 F4 105.9(3) . . ?
F5 C28 F4 104.7(3) . . ?
F6 C28 C27 111.5(3) . . ?
F5 C28 C27 114.2(3) . . ?
F4 C28 C27 111.8(3) . . ?
C42 C29 C30 122.4(3) . . ?
C42 C29 C34 118.5(3) . . ?
C30 C29 C34 119.1(3) . . ?
C31 C30 C29 120.4(3) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 120.3(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C33 C32 C31 120.5(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 121.1(3) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
C35 C34 C29 118.6(3) . . ?
C35 C34 C33 122.9(3) . . ?
C29 C34 C33 118.6(3) . . ?
C36 C35 C34 121.7(3) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
C35 C36 C37 120.3(3) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C42 C37 C36 118.6(3) . . ?
C42 C37 C38 118.3(3) . . ?
C36 C37 C38 123.1(3) . . ?
O5 C38 C39 122.0(3) . . ?
O5 C38 C37 116.8(3) . . ?
C39 C38 C37 121.1(3) . . ?
C40 C39 C38 122.0(3) . . ?
C40 C39 H39 119.0 . . ?
C38 C39 H39 119.0 . . ?
O6 C40 C39 129.1(3) . . ?
O6 C40 C41 112.3(3) . . ?
C39 C40 C41 118.6(3) . . ?
F7 C41 F8 108.1(3) . . ?
F7 C41 F9 106.1(3) . . ?
F8 C41 F9 104.6(3) . . ?
F7 C41 C40 115.7(3) . . ?
F8 C41 C40 110.2(3) . . ?
F9 C41 C40 111.5(3) . . ?
C37 C42 C29 122.2(3) . . ?
C37 C42 H42 118.9 . . ?
C29 C42 H42 118.9 . . ?
N1 C43 C44 123.7(3) . . ?
N1 C43 H43 118.2 . . ?
C44 C43 H43 118.2 . . ?
C45 C44 C43 116.4(4) . . ?
C45 C44 C54 123.9(4) . . ?
C43 C44 C54 119.7(4) . . ?
C46 C45 C44 121.0(3) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C47 118.9(3) . . ?
C45 C46 H46 120.5 . . ?
C47 C46 H46 120.5 . . ?
N1 C47 C46 120.7(3) . . ?
N1 C47 C48 116.4(3) . . ?
C46 C47 C48 122.9(3) . . ?
N2 C48 C49 120.2(4) . . ?
N2 C48 C47 116.3(3) . . ?
C49 C48 C47 123.4(3) . . ?
C50 C49 C48 119.6(4) . . ?
C50 C49 H49 120.2 . . ?
C48 C49 H49 120.2 . . ?
C49 C50 C51 121.2(4) . . ?
C49 C50 H50 119.4 . . ?
C51 C50 H50 119.4 . . ?
C50 C51 C52 115.4(4) . . ?
C50 C51 C53 123.5(4) . . ?
C52 C51 C53 121.1(4) . . ?
N2 C52 C51 125.0(3) . . ?
N2 C52 H52 117.5 . . ?
C51 C52 H52 117.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C44 C54 H54A 109.5 . . ?
C44 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C44 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O1 Dy1 O5 140.60(7) . . ?
O1 Dy1 O3 74.36(7) . . ?
O5 Dy1 O3 79.69(7) . . ?
O1 Dy1 O4 119.58(7) . . ?
O5 Dy1 O4 78.73(7) . . ?
O3 Dy1 O4 72.66(7) . . ?
O1 Dy1 O6 74.04(7) . . ?
O5 Dy1 O6 71.96(7) . . ?
O3 Dy1 O6 78.13(7) . . ?
O4 Dy1 O6 141.64(7) . . ?
O1 Dy1 O2 71.46(7) . . ?
O5 Dy1 O2 147.87(7) . . ?
O3 Dy1 O2 117.52(7) . . ?
O4 Dy1 O2 81.15(7) . . ?
O6 Dy1 O2 135.41(7) . . ?
O1 Dy1 N2 139.15(8) . . ?
O5 Dy1 N2 75.52(8) . . ?
O3 Dy1 N2 144.50(8) . . ?
O4 Dy1 N2 77.85(8) . . ?
O6 Dy1 N2 116.67(8) . . ?
O2 Dy1 N2 75.94(8) . . ?
O1 Dy1 N1 83.09(8) . . ?
O5 Dy1 N1 106.74(8) . . ?
O3 Dy1 N1 149.14(8) . . ?
O4 Dy1 N1 137.92(8) . . ?
O6 Dy1 N1 75.55(8) . . ?
O2 Dy1 N1 73.07(8) . . ?
N2 Dy1 N1 64.10(9) . . ?
C43 N1 C47 119.0(3) . . ?
C43 N1 Dy1 120.5(2) . . ?
C47 N1 Dy1 117.9(2) . . ?
C52 N2 C48 118.6(3) . . ?
C52 N2 Dy1 121.0(2) . . ?
C48 N2 Dy1 120.4(2) . . ?
C11 O1 Dy1 140.60(18) . . ?
C13 O2 Dy1 131.91(19) . . ?
C25 O3 Dy1 138.6(2) . . ?
C27 O4 Dy1 131.16(19) . . ?
C38 O5 Dy1 133.65(19) . . ?
C40 O6 Dy1 128.03(19) . . ?

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
C10 C1 C2 C3 -176.9(3) . . . . ?
C6 C1 C2 C3 0.5(5) . . . . ?
C1 C2 C3 C4 0.0(5) . . . . ?
C2 C3 C4 C5 -0.7(5) . . . . ?
C3 C4 C5 C6 0.9(5) . . . . ?
C4 C5 C6 C7 178.2(3) . . . . ?
C4 C5 C6 C1 -0.4(5) . . . . ?
C10 C1 C6 C7 -1.5(4) . . . . ?
C2 C1 C6 C7 -178.9(3) . . . . ?
C10 C1 C6 C5 177.2(3) . . . . ?
C2 C1 C6 C5 -0.3(4) . . . . ?
C5 C6 C7 C8 -175.8(3) . . . . ?
C1 C6 C7 C8 2.8(4) . . . . ?
C6 C7 C8 C9 -1.3(4) . . . . ?
C7 C8 C9 C10 -1.7(4) . . . . ?
C7 C8 C9 C11 172.4(3) . . . . ?
C8 C9 C10 C1 3.1(4) . . . . ?
C11 C9 C10 C1 -171.3(3) . . . . ?
C6 C1 C10 C9 -1.5(4) . . . . ?
C2 C1 C10 C9 175.9(3) . . . . ?
C10 C9 C11 O1 13.9(4) . . . . ?
C8 C9 C11 O1 -160.3(3) . . . . ?
C10 C9 C11 C12 -167.0(3) . . . . ?
C8 C9 C11 C12 18.8(4) . . . . ?
O1 C11 C12 C13 8.8(4) . . . . ?
C9 C11 C12 C13 -170.3(3) . . . . ?
C11 C12 C13 O2 3.3(5) . . . . ?
C11 C12 C13 C14 -178.7(3) . . . . ?
O2 C13 C14 F1 -33.0(4) . . . . ?
C12 C13 C14 F1 148.7(3) . . . . ?
O2 C13 C14 F3 86.8(3) . . . . ?
C12 C13 C14 F3 -91.5(3) . . . . ?
O2 C13 C14 F2 -154.4(3) . . . . ?
C12 C13 C14 F2 27.3(4) . . . . ?
C24 C15 C16 C17 175.1(3) . . . . ?
C20 C15 C16 C17 -1.8(5) . . . . ?
C15 C16 C17 C18 0.8(6) . . . . ?
C16 C17 C18 C19 1.6(6) . . . . ?
C17 C18 C19 C20 -2.9(6) . . . . ?
C18 C19 C20 C21 -176.0(4) . . . . ?
C18 C19 C20 C15 1.8(5) . . . . ?
C24 C15 C20 C21 1.4(5) . . . . ?
C16 C15 C20 C21 178.4(3) . . . . ?
C24 C15 C20 C19 -176.5(3) . . . . ?
C16 C15 C20 C19 0.5(5) . . . . ?
C19 C20 C21 C22 177.0(4) . . . . ?
C15 C20 C21 C22 -0.8(5) . . . . ?
C20 C21 C22 C23 -0.3(6) . . . . ?
C21 C22 C23 C24 0.8(5) . . . . ?
C21 C22 C23 C25 -176.3(3) . . . . ?
C22 C23 C24 C15 -0.2(5) . . . . ?
C25 C23 C24 C15 177.0(3) . . . . ?
C16 C15 C24 C23 -177.9(3) . . . . ?
C20 C15 C24 C23 -0.9(5) . . . . ?
C24 C23 C25 O3 -12.9(4) . . . . ?
C22 C23 C25 O3 164.2(3) . . . . ?
C24 C23 C25 C26 167.7(3) . . . . ?
C22 C23 C25 C26 -15.2(5) . . . . ?
O3 C25 C26 C27 -7.4(5) . . . . ?
C23 C25 C26 C27 171.9(3) . . . . ?
C25 C26 C27 O4 -1.0(5) . . . . ?
C25 C26 C27 C28 178.6(3) . . . . ?
O4 C27 C28 F6 62.5(4) . . . . ?
C26 C27 C28 F6 -117.2(4) . . . . ?
O4 C27 C28 F5 -174.5(3) . . . . ?
C26 C27 C28 F5 5.9(5) . . . . ?
O4 C27 C28 F4 -55.8(4) . . . . ?
C26 C27 C28 F4 124.5(4) . . . . ?
C42 C29 C30 C31 178.2(3) . . . . ?
C34 C29 C30 C31 -1.8(5) . . . . ?
C29 C30 C31 C32 0.7(6) . . . . ?
C30 C31 C32 C33 0.1(6) . . . . ?
C31 C32 C33 C34 0.1(6) . . . . ?
C42 C29 C34 C35 1.1(4) . . . . ?
C30 C29 C34 C35 -178.8(3) . . . . ?
C42 C29 C34 C33 -178.0(3) . . . . ?
C30 C29 C34 C33 2.0(5) . . . . ?
C32 C33 C34 C35 179.7(3) . . . . ?
C32 C33 C34 C29 -1.2(5) . . . . ?
C29 C34 C35 C36 -0.7(5) . . . . ?
C33 C34 C35 C36 178.5(3) . . . . ?
C34 C35 C36 C37 -0.9(5) . . . . ?
C35 C36 C37 C42 2.1(5) . . . . ?
C35 C36 C37 C38 -179.2(3) . . . . ?
C42 C37 C38 O5 -3.9(4) . . . . ?
C36 C37 C38 O5 177.3(3) . . . . ?
C42 C37 C38 C39 177.4(3) . . . . ?
C36 C37 C38 C39 -1.4(5) . . . . ?
O5 C38 C39 C40 -1.7(5) . . . . ?
C37 C38 C39 C40 177.0(3) . . . . ?
C38 C39 C40 O6 -0.1(6) . . . . ?
C38 C39 C40 C41 -179.5(3) . . . . ?
O6 C40 C41 F7 -172.5(3) . . . . ?
C39 C40 C41 F7 7.1(5) . . . . ?
O6 C40 C41 F8 64.6(4) . . . . ?
C39 C40 C41 F8 -115.9(3) . . . . ?
O6 C40 C41 F9 -51.2(4) . . . . ?
C39 C40 C41 F9 128.4(3) . . . . ?
C36 C37 C42 C29 -1.6(4) . . . . ?
C38 C37 C42 C29 179.6(3) . . . . ?
C30 C29 C42 C37 180.0(3) . . . . ?
C34 C29 C42 C37 0.0(4) . . . . ?
N1 C43 C44 C45 3.4(5) . . . . ?
N1 C43 C44 C54 -175.6(3) . . . . ?
C43 C44 C45 C46 -4.2(5) . . . . ?
C54 C44 C45 C46 174.7(4) . . . . ?
C44 C45 C46 C47 0.5(5) . . . . ?
C45 C46 C47 N1 4.5(5) . . . . ?
C45 C46 C47 C48 -174.2(3) . . . . ?
N1 C47 C48 N2 12.7(4) . . . . ?
C46 C47 C48 N2 -168.6(3) . . . . ?
N1 C47 C48 C49 -163.7(3) . . . . ?
C46 C47 C48 C49 15.0(5) . . . . ?
N2 C48 C49 C50 0.3(5) . . . . ?
C47 C48 C49 C50 176.6(3) . . . . ?
C48 C49 C50 C51 -0.1(6) . . . . ?
C49 C50 C51 C52 0.0(6) . . . . ?
C49 C50 C51 C53 -178.4(4) . . . . ?
C50 C51 C52 N2 -0.1(6) . . . . ?
C53 C51 C52 N2 178.4(4) . . . . ?
C44 C43 N1 C47 1.4(5) . . . . ?
C44 C43 N1 Dy1 -159.9(2) . . . . ?
C46 C47 N1 C43 -5.4(4) . . . . ?
C48 C47 N1 C43 173.3(3) . . . . ?
C46 C47 N1 Dy1 156.4(2) . . . . ?
C48 C47 N1 Dy1 -24.9(3) . . . . ?
C51 C52 N2 C48 0.3(5) . . . . ?
C51 C52 N2 Dy1 177.5(3) . . . . ?
C49 C48 N2 C52 -0.4(5) . . . . ?
C47 C48 N2 C52 -177.0(3) . . . . ?
C49 C48 N2 Dy1 -177.7(2) . . . . ?
C47 C48 N2 Dy1 5.8(4) . . . . ?
C12 C11 O1 Dy1 0.2(5) . . . . ?
C9 C11 O1 Dy1 179.3(2) . . . . ?
C12 C13 O2 Dy1 -23.7(5) . . . . ?
C14 C13 O2 Dy1 158.2(2) . . . . ?
C26 C25 O3 Dy1 -4.8(5) . . . . ?
C23 C25 O3 Dy1 175.9(2) . . . . ?
C26 C27 O4 Dy1 20.6(5) . . . . ?
C28 C27 O4 Dy1 -159.1(2) . . . . ?
C39 C38 O5 Dy1 -27.5(4) . . . . ?
C37 C38 O5 Dy1 153.8(2) . . . . ?
C39 C40 O6 Dy1 28.3(5) . . . . ?
C41 C40 O6 Dy1 -152.3(2) . . . . ?

_refine_diff_density_max         0.506
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.054

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2036907'
loop_
_audit_author_name
_audit_author_address
er
;Ningxia University
China
;
_audit_update_record             
;
2021-01-05 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_date             2019-04-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H48 Dy F9 N2 O6'
_chemical_formula_sum            'C60 H48 Dy F9 N2 O6'
_chemical_formula_weight         1226.50
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6768(13)
_cell_length_b                   15.0227(14)
_cell_length_c                   16.5274(14)
_cell_angle_alpha                81.837(7)
_cell_angle_beta                 73.573(8)
_cell_angle_gamma                66.289(9)
_cell_volume                     2762.7(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2044
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      66.1880
_cell_measurement_theta_min      3.9020
_shelx_estimated_absorpt_T_max   0.475
_shelx_estimated_absorpt_T_min   0.363
_exptl_absorpt_coefficient_mu    7.947
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1234
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15207
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        66.589
_diffrn_reflns_theta_max         66.589
_diffrn_reflns_theta_min         3.932
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6525
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  32.00   1.00    5.00    --  -39.95  57.00 -30.00   99
  2  ω    -64.00  34.00   1.00    5.00    --  -39.95  38.00-120.00   98
  3  ω    -35.00  73.00   1.00    5.00    --   39.95 -77.00  60.00  108
  4  ω     35.00  60.00   1.00    8.00    --  105.48 -30.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0625354000
_diffrn_orient_matrix_UB_12      -0.0552851000
_diffrn_orient_matrix_UB_13      0.0700762000
_diffrn_orient_matrix_UB_21      -0.0054819000
_diffrn_orient_matrix_UB_22      0.0960768000
_diffrn_orient_matrix_UB_23      0.0267834000
_diffrn_orient_matrix_UB_31      -0.1219241000
_diffrn_orient_matrix_UB_32      0.0152972000
_diffrn_orient_matrix_UB_33      0.0621351000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7609
_reflns_number_total             9615
_reflns_odcompleteness_completeness 35.14
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.123
_refine_diff_density_min         -1.854
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         9615
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0525
_refine_ls_restrained_S_all      1.041
_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)+(0.0759P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1410
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C57) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(C58)
\\sim Ueq, Uanis(C59A) \\sim Ueq, Uanis(C58A) \\sim Ueq, Uanis(C60A) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(C58A)=Sof(H58D)=Sof(H58E)=Sof(H58F)=Sof(C59A)=Sof(H59D)=Sof(H59E)=
 Sof(H59F)=Sof(C60A)=Sof(H60D)=Sof(H60E)=Sof(H60F)=1-FVAR(1)
 Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(H58C)=Sof(C59)=Sof(H59A)=Sof(H59B)=Sof(H59C)=
 Sof(C60)=Sof(H60A)=Sof(H60B)=Sof(H60C)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C17(H17), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28),
  C31(H31), C34(H34), C35(H35), C37(H37), C38(H38), C39(H39), C40(H40),
 C42(H42), C43(H43), C44(H44), C46(H46), C49(H49), C51(H51), C52(H52)
4.b Idealised Me refined as rotating group:
 C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C58(H58A,H58B,
 H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C58A(H58D,H58E,H58F),
 C59A(H59D,H59E,H59F), C60A(H60D,H60E,H60F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.30041(3) 0.72042(2) 0.30549(2) 0.03418(11) Uani 1 1 d . . . . .
F1 F -0.0631(4) 0.6419(4) 0.2360(3) 0.0812(14) Uani 1 1 d . . . . .
F2 F 0.0926(4) 0.5355(3) 0.2657(3) 0.0737(12) Uani 1 1 d . . . . .
F3 F -0.0520(3) 0.6148(3) 0.3641(2) 0.0589(10) Uani 1 1 d . . . . .
F4 F 0.6093(7) 0.7104(4) 0.4269(6) 0.162(4) Uani 1 1 d . . . . .
F5 F 0.7330(6) 0.6060(7) 0.3371(4) 0.169(4) Uani 1 1 d . . . . .
F6 F 0.6818(4) 0.5672(3) 0.4633(3) 0.0807(13) Uani 1 1 d . . . . .
F7 F 0.5465(8) 0.8625(5) 0.0071(3) 0.162(3) Uani 1 1 d . U . . .
F8 F 0.5923(4) 0.8536(4) 0.1217(4) 0.0942(16) Uani 1 1 d . . . . .
F9 F 0.4237(5) 0.9545(3) 0.1091(3) 0.0863(14) Uani 1 1 d . . . . .
O1 O 0.1415(3) 0.6747(3) 0.3209(2) 0.0368(8) Uani 1 1 d . . . . .
O2 O 0.1614(3) 0.8451(3) 0.2460(2) 0.0383(8) Uani 1 1 d . . . . .
O3 O 0.4641(4) 0.6849(3) 0.3605(3) 0.0474(10) Uani 1 1 d . . . . .
O4 O 0.3753(3) 0.5568(3) 0.3364(2) 0.0404(9) Uani 1 1 d . . . . .
O5 O 0.4211(3) 0.7857(3) 0.2051(2) 0.0404(9) Uani 1 1 d . . . . .
O6 O 0.3421(3) 0.6511(3) 0.1769(2) 0.0364(8) Uani 1 1 d . . . . .
N1 N 0.1994(4) 0.7253(3) 0.4613(3) 0.0402(10) Uani 1 1 d . . . . .
N2 N 0.2606(4) 0.8696(3) 0.3810(3) 0.0396(10) Uani 1 1 d . . . . .
C1 C 0.0084(5) 0.6244(4) 0.2859(4) 0.0440(13) Uani 1 1 d . . . . .
C2 C 0.0661(5) 0.6978(4) 0.2779(3) 0.0346(11) Uani 1 1 d . . . . .
C3 C 0.0286(5) 0.7803(4) 0.2281(3) 0.0387(12) Uani 1 1 d . . . . .
H3 H -0.0306 0.7887 0.2016 0.046 Uiso 1 1 calc R . . . .
C4 C 0.0769(5) 0.8525(4) 0.2159(3) 0.0364(12) Uani 1 1 d . . . . .
C5 C 0.0321(5) 0.9415(4) 0.1626(3) 0.0382(12) Uani 1 1 d . . . . .
C6 C -0.0867(5) 0.9813(4) 0.1563(4) 0.0443(13) Uani 1 1 d . . . . .
H6 H -0.1388 0.9512 0.1844 0.053 Uiso 1 1 calc R . . . .
C7 C -0.1253(5) 1.0650(5) 0.1082(4) 0.0511(15) Uani 1 1 d . . . . .
H7 H -0.2045 1.0922 0.1057 0.061 Uiso 1 1 calc R . . . .
C8 C -0.0467(5) 1.1105(4) 0.0626(4) 0.0449(13) Uani 1 1 d . . . . .
C9 C -0.0840(6) 1.1979(4) 0.0142(4) 0.0524(16) Uani 1 1 d . . . . .
H9 H -0.1629 1.2271 0.0112 0.063 Uiso 1 1 calc R . . . .
C10 C -0.0056(6) 1.2400(4) -0.0283(4) 0.0553(17) Uani 1 1 d . . . . .
H10 H -0.0322 1.2982 -0.0588 0.066 Uiso 1 1 calc R . . . .
C11 C 0.1149(6) 1.1964(4) -0.0265(4) 0.0555(16) Uani 1 1 d . . . . .
H11 H 0.1683 1.2244 -0.0570 0.067 Uiso 1 1 calc R . . . .
C12 C 0.1530(6) 1.1121(4) 0.0206(4) 0.0495(14) Uani 1 1 d . . . . .
H12 H 0.2325 1.0836 0.0221 0.059 Uiso 1 1 calc R . . . .
C13 C 0.0742(5) 1.0682(4) 0.0664(4) 0.0416(13) Uani 1 1 d . . . . .
C14 C 0.1102(5) 0.9836(4) 0.1191(4) 0.0425(13) Uani 1 1 d . . . . .
H14 H 0.1883 0.9565 0.1240 0.051 Uiso 1 1 calc R . . . .
C15 C 0.6415(7) 0.6258(5) 0.4008(5) 0.0619(18) Uani 1 1 d . . . . .
C16 C 0.5415(5) 0.6080(4) 0.3798(3) 0.0411(13) Uani 1 1 d . . . . .
C17 C 0.5496(5) 0.5142(4) 0.3801(4) 0.0462(14) Uani 1 1 d . . . . .
H17 H 0.6113 0.4638 0.3982 0.055 Uiso 1 1 calc R . . . .
C18 C 0.4664(5) 0.4922(4) 0.3535(3) 0.0359(12) Uani 1 1 d . . . . .
C19 C 0.4878(5) 0.3899(4) 0.3391(3) 0.0359(11) Uani 1 1 d . . . . .
C20 C 0.5781(6) 0.3082(4) 0.3648(4) 0.0520(15) Uani 1 1 d . . . . .
H20 H 0.6218 0.3166 0.3977 0.062 Uiso 1 1 calc R . . . .
C21 C 0.6019(6) 0.2171(5) 0.3416(5) 0.0604(18) Uani 1 1 d . . . . .
H21 H 0.6603 0.1639 0.3602 0.072 Uiso 1 1 calc R . . . .
C22 C 0.5389(5) 0.2026(4) 0.2899(4) 0.0497(15) Uani 1 1 d . . . . .
C23 C 0.5663(6) 0.1099(5) 0.2602(5) 0.065(2) Uani 1 1 d . . . . .
H23 H 0.6274 0.0560 0.2753 0.078 Uiso 1 1 calc R . . . .
C24 C 0.5038(7) 0.0988(6) 0.2093(5) 0.067(2) Uani 1 1 d . . . . .
H24 H 0.5237 0.0378 0.1893 0.081 Uiso 1 1 calc R . . . .
C25 C 0.4099(7) 0.1791(6) 0.1871(4) 0.064(2) Uani 1 1 d . . . . .
H25 H 0.3672 0.1707 0.1534 0.077 Uiso 1 1 calc R . . . .
C26 C 0.3810(6) 0.2696(5) 0.2148(4) 0.0509(15) Uani 1 1 d . . . . .
H26 H 0.3188 0.3224 0.1998 0.061 Uiso 1 1 calc R . . . .
C27 C 0.4455(5) 0.2830(4) 0.2665(3) 0.0401(12) Uani 1 1 d . . . . .
C28 C 0.4210(5) 0.3760(4) 0.2928(3) 0.0372(12) Uani 1 1 d . . . . .
H28 H 0.3584 0.4292 0.2786 0.045 Uiso 1 1 calc R . . . .
C29 C 0.5035(8) 0.8650(6) 0.0875(4) 0.071(2) Uani 1 1 d . . . . .
C30 C 0.4471(5) 0.7893(4) 0.1255(4) 0.0449(14) Uani 1 1 d . . . . .
C31 C 0.4306(5) 0.7389(4) 0.0707(3) 0.0463(14) Uani 1 1 d . . . . .
H31 H 0.4544 0.7509 0.0130 0.056 Uiso 1 1 calc R . . . .
C32 C 0.3782(5) 0.6687(4) 0.0992(3) 0.0355(12) Uani 1 1 d . . . . .
C33 C 0.3611(4) 0.6152(4) 0.0380(3) 0.0336(11) Uani 1 1 d . . . . .
C34 C 0.4145(5) 0.6160(4) -0.0500(3) 0.0419(13) Uani 1 1 d . . . . .
H34 H 0.4629 0.6511 -0.0716 0.050 Uiso 1 1 calc R . . . .
C35 C 0.3953(6) 0.5660(5) -0.1026(3) 0.0491(15) Uani 1 1 d . . . . .
H35 H 0.4333 0.5658 -0.1597 0.059 Uiso 1 1 calc R . . . .
C36 C 0.3201(5) 0.5145(4) -0.0738(3) 0.0415(13) Uani 1 1 d . . . . .
C37 C 0.2964(6) 0.4633(5) -0.1277(4) 0.0543(16) Uani 1 1 d . . . . .
H37 H 0.3329 0.4622 -0.1851 0.065 Uiso 1 1 calc R . . . .
C38 C 0.2212(7) 0.4156(5) -0.0969(4) 0.0619(18) Uani 1 1 d . . . . .
H38 H 0.2077 0.3813 -0.1329 0.074 Uiso 1 1 calc R . . . .
C39 C 0.1636(7) 0.4184(5) -0.0100(4) 0.0619(18) Uani 1 1 d . . . . .
H39 H 0.1099 0.3878 0.0103 0.074 Uiso 1 1 calc R . . . .
C40 C 0.1852(6) 0.4646(5) 0.0440(4) 0.0538(16) Uani 1 1 d . . . . .
H40 H 0.1484 0.4637 0.1013 0.065 Uiso 1 1 calc R . . . .
C41 C 0.2643(5) 0.5149(4) 0.0140(3) 0.0382(12) Uani 1 1 d . . . . .
C42 C 0.2875(5) 0.5651(4) 0.0676(3) 0.0380(12) Uani 1 1 d . . . . .
H42 H 0.2519 0.5645 0.1251 0.046 Uiso 1 1 calc R . . . .
C43 C 0.1682(5) 0.6514(4) 0.4990(3) 0.0433(13) Uani 1 1 d . . . . .
H43 H 0.1829 0.6003 0.4660 0.052 Uiso 1 1 calc R . . . .
C44 C 0.1147(5) 0.6469(4) 0.5849(4) 0.0453(14) Uani 1 1 d . . . . .
H44 H 0.0960 0.5934 0.6081 0.054 Uiso 1 1 calc R . . . .
C45 C 0.0896(5) 0.7225(4) 0.6356(3) 0.0418(13) Uani 1 1 d . . . . .
C46 C 0.1220(5) 0.7991(4) 0.5956(3) 0.0389(12) Uani 1 1 d . . . . .
H46 H 0.1066 0.8516 0.6270 0.047 Uiso 1 1 calc R . . . .
C47 C 0.1766(5) 0.7989(4) 0.5104(3) 0.0361(12) Uani 1 1 d . . . . .
C48 C 0.2140(5) 0.8788(4) 0.4657(3) 0.0356(11) Uani 1 1 d . . . . .
C49 C 0.2038(5) 0.9569(4) 0.5070(3) 0.0355(11) Uani 1 1 d . . . . .
H49 H 0.1682 0.9623 0.5645 0.043 Uiso 1 1 calc R . . . .
C50 C 0.2453(5) 1.0268(4) 0.4646(3) 0.0357(12) Uani 1 1 d . . . . .
C51 C 0.2929(6) 1.0167(4) 0.3786(4) 0.0470(15) Uani 1 1 d . . . . .
H51 H 0.3214 1.0624 0.3471 0.056 Uiso 1 1 calc R . . . .
C52 C 0.2982(6) 0.9394(4) 0.3394(4) 0.0516(16) Uani 1 1 d . . . . .
H52 H 0.3294 0.9352 0.2813 0.062 Uiso 1 1 calc R . . . .
C53 C 0.0320(6) 0.7231(5) 0.7310(4) 0.0507(15) Uani 1 1 d . . . . .
C54 C -0.0023(10) 0.6366(7) 0.7598(4) 0.101(4) Uani 1 1 d . . . . .
H54A H -0.0543 0.6353 0.7280 0.151 Uiso 1 1 calc GR . . . .
H54B H -0.0424 0.6414 0.8187 0.151 Uiso 1 1 calc GR . . . .
H54C H 0.0679 0.5780 0.7511 0.151 Uiso 1 1 calc GR . . . .
C55 C 0.1191(8) 0.7227(6) 0.7781(4) 0.074(2) Uani 1 1 d . . . . .
H55A H 0.1919 0.6671 0.7629 0.110 Uiso 1 1 calc GR . . . .
H55B H 0.0854 0.7199 0.8378 0.110 Uiso 1 1 calc GR . . . .
H55C H 0.1351 0.7810 0.7635 0.110 Uiso 1 1 calc GR . . . .
C56 C -0.0810(7) 0.8157(6) 0.7507(5) 0.079(2) Uani 1 1 d . . . . .
H56A H -0.0600 0.8717 0.7372 0.118 Uiso 1 1 calc GR . . . .
H56B H -0.1201 0.8148 0.8096 0.118 Uiso 1 1 calc GR . . . .
H56C H -0.1335 0.8185 0.7176 0.118 Uiso 1 1 calc GR . . . .
C57 C 0.2365(6) 1.1128(4) 0.5086(4) 0.0493(15) Uani 1 1 d . U . . .
C58 C 0.0905(9) 1.1767(8) 0.5318(7) 0.052(3) Uani 0.563(11) 1 d . U P A 1
H58A H 0.0627 1.1899 0.4814 0.077 Uiso 0.563(11) 1 calc GR . P A 1
H58B H 0.0737 1.2370 0.5558 0.077 Uiso 0.563(11) 1 calc GR . P A 1
H58C H 0.0508 1.1402 0.5718 0.077 Uiso 0.563(11) 1 calc GR . P A 1
C59 C 0.2646(13) 1.0844(9) 0.5932(7) 0.054(3) Uani 0.563(11) 1 d . U P A 1
H59A H 0.2169 1.0497 0.6263 0.081 Uiso 0.563(11) 1 calc GR . P A 1
H59B H 0.2476 1.1418 0.6217 0.081 Uiso 0.563(11) 1 calc GR . P A 1
H59C H 0.3473 1.0435 0.5856 0.081 Uiso 0.563(11) 1 calc GR . P A 1
C60 C 0.2891(15) 1.1778(11) 0.4539(9) 0.061(4) Uani 0.563(11) 1 d . U P A 1
H60A H 0.3736 1.1437 0.4352 0.092 Uiso 0.563(11) 1 calc GR . P A 1
H60B H 0.2726 1.2333 0.4849 0.092 Uiso 0.563(11) 1 calc GR . P A 1
H60C H 0.2555 1.1989 0.4060 0.092 Uiso 0.563(11) 1 calc GR . P A 1
C58A C 0.3851(15) 1.0812(12) 0.5064(12) 0.069(5) Uani 0.437(11) 1 d . U P A 2
H58D H 0.4151 1.0176 0.5321 0.103 Uiso 0.437(11) 1 calc GR . P A 2
H58E H 0.3920 1.1276 0.5369 0.103 Uiso 0.437(11) 1 calc GR . P A 2
H58F H 0.4304 1.0809 0.4490 0.103 Uiso 0.437(11) 1 calc GR . P A 2
C59A C 0.1790(17) 1.1201(12) 0.5975(10) 0.061(5) Uani 0.437(11) 1 d . U P A 2
H59D H 0.0973 1.1291 0.6060 0.092 Uiso 0.437(11) 1 calc GR . P A 2
H59E H 0.1829 1.1745 0.6190 0.092 Uiso 0.437(11) 1 calc GR . P A 2
H59F H 0.2186 1.0614 0.6267 0.092 Uiso 0.437(11) 1 calc GR . P A 2
C60A C 0.213(2) 1.2051(12) 0.4612(13) 0.067(5) Uani 0.437(11) 1 d . U P A 2
H60D H 0.2623 1.1945 0.4047 0.100 Uiso 0.437(11) 1 calc GR . P A 2
H60E H 0.2298 1.2486 0.4880 0.100 Uiso 0.437(11) 1 calc GR . P A 2
H60F H 0.1307 1.2330 0.4595 0.100 Uiso 0.437(11) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.317(3) . ?
Dy1 O2 2.321(4) . ?
Dy1 O3 2.335(4) . ?
Dy1 O4 2.291(4) . ?
Dy1 O5 2.316(3) . ?
Dy1 O6 2.331(3) . ?
Dy1 N1 2.528(4) . ?
Dy1 N2 2.523(4) . ?
F1 C1 1.320(7) . ?
F2 C1 1.347(7) . ?
F3 C1 1.324(6) . ?
F4 C15 1.268(9) . ?
F5 C15 1.289(9) . ?
F6 C15 1.334(8) . ?
F7 C29 1.285(8) . ?
F8 C29 1.339(10) . ?
F9 C29 1.340(9) . ?
O1 C2 1.259(6) . ?
O2 C4 1.263(6) . ?
O3 C16 1.249(7) . ?
O4 C18 1.249(7) . ?
O5 C30 1.261(7) . ?
O6 C32 1.262(6) . ?
N1 C43 1.339(7) . ?
N1 C47 1.353(6) . ?
N2 C48 1.359(7) . ?
N2 C52 1.346(7) . ?
C1 C2 1.524(7) . ?
C2 C3 1.377(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.413(7) . ?
C4 C5 1.491(8) . ?
C5 C6 1.408(8) . ?
C5 C14 1.368(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.375(8) . ?
C7 H7 0.9300 . ?
C7 C8 1.416(9) . ?
C8 C9 1.416(8) . ?
C8 C13 1.421(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.365(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.407(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.372(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.402(8) . ?
C13 C14 1.423(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.533(8) . ?
C16 C17 1.370(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.413(7) . ?
C18 C19 1.492(7) . ?
C19 C20 1.412(8) . ?
C19 C28 1.379(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.365(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.412(9) . ?
C22 C23 1.417(8) . ?
C22 C27 1.411(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.374(11) . ?
C24 H24 0.9300 . ?
C24 C25 1.403(11) . ?
C25 H25 0.9300 . ?
C25 C26 1.369(9) . ?
C26 H26 0.9300 . ?
C26 C27 1.419(8) . ?
C27 C28 1.408(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.548(8) . ?
C30 C31 1.365(8) . ?
C31 H31 0.9300 . ?
C31 C32 1.423(7) . ?
C32 C33 1.487(7) . ?
C33 C34 1.421(7) . ?
C33 C42 1.370(7) . ?
C34 H34 0.9300 . ?
C34 C35 1.352(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.402(8) . ?
C36 C37 1.416(8) . ?
C36 C41 1.423(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.363(9) . ?
C38 H38 0.9300 . ?
C38 C39 1.413(9) . ?
C39 H39 0.9300 . ?
C39 C40 1.351(8) . ?
C40 H40 0.9300 . ?
C40 C41 1.429(8) . ?
C41 C42 1.399(7) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C43 C44 1.395(8) . ?
C44 H44 0.9300 . ?
C44 C45 1.386(8) . ?
C45 C46 1.394(7) . ?
C45 C53 1.538(7) . ?
C46 H46 0.9300 . ?
C46 C47 1.383(7) . ?
C47 C48 1.489(7) . ?
C48 C49 1.383(7) . ?
C49 H49 0.9300 . ?
C49 C50 1.377(7) . ?
C50 C51 1.381(7) . ?
C50 C57 1.521(7) . ?
C51 H51 0.9300 . ?
C51 C52 1.379(7) . ?
C52 H52 0.9300 . ?
C53 C54 1.505(9) . ?
C53 C55 1.518(10) . ?
C53 C56 1.535(10) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C58 1.664(12) . ?
C57 C59 1.502(13) . ?
C57 C60 1.465(14) . ?
C57 C58A 1.739(18) . ?
C57 C59A 1.442(16) . ?
C57 C60A 1.454(18) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C58A H58D 0.9600 . ?
C58A H58E 0.9600 . ?
C58A H58F 0.9600 . ?
C59A H59D 0.9600 . ?
C59A H59E 0.9600 . ?
C59A H59F 0.9600 . ?
C60A H60D 0.9600 . ?
C60A H60E 0.9600 . ?
C60A H60F 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O2 72.90(12) . . ?
O1 Dy1 O3 140.90(13) . . ?
O1 Dy1 O6 76.87(12) . . ?
O1 Dy1 N1 73.41(13) . . ?
O1 Dy1 N2 117.18(14) . . ?
O2 Dy1 O3 142.92(13) . . ?
O2 Dy1 O6 81.09(13) . . ?
O2 Dy1 N1 103.90(14) . . ?
O2 Dy1 N2 75.90(14) . . ?
O3 Dy1 N1 80.47(15) . . ?
O3 Dy1 N2 73.55(15) . . ?
O4 Dy1 O1 76.10(13) . . ?
O4 Dy1 O2 145.15(12) . . ?
O4 Dy1 O3 71.72(13) . . ?
O4 Dy1 O5 118.35(14) . . ?
O4 Dy1 O6 76.70(13) . . ?
O4 Dy1 N1 81.77(14) . . ?
O4 Dy1 N2 133.89(14) . . ?
O5 Dy1 O1 140.50(13) . . ?
O5 Dy1 O2 78.69(13) . . ?
O5 Dy1 O3 76.07(14) . . ?
O5 Dy1 O6 72.03(12) . . ?
O5 Dy1 N1 141.25(13) . . ?
O5 Dy1 N2 80.60(13) . . ?
O6 Dy1 O3 115.54(14) . . ?
O6 Dy1 N1 146.67(13) . . ?
O6 Dy1 N2 147.13(13) . . ?
N2 Dy1 N1 63.26(13) . . ?
C2 O1 Dy1 130.8(3) . . ?
C4 O2 Dy1 135.7(3) . . ?
C16 O3 Dy1 134.2(3) . . ?
C18 O4 Dy1 139.8(3) . . ?
C30 O5 Dy1 132.8(3) . . ?
C32 O6 Dy1 138.4(3) . . ?
C43 N1 Dy1 119.7(3) . . ?
C43 N1 C47 117.2(5) . . ?
C47 N1 Dy1 123.1(3) . . ?
C48 N2 Dy1 122.8(3) . . ?
C52 N2 Dy1 120.0(3) . . ?
C52 N2 C48 116.7(5) . . ?
F1 C1 F2 105.1(5) . . ?
F1 C1 F3 107.5(5) . . ?
F1 C1 C2 115.2(5) . . ?
F2 C1 C2 110.1(5) . . ?
F3 C1 F2 105.8(5) . . ?
F3 C1 C2 112.5(5) . . ?
O1 C2 C1 113.7(5) . . ?
O1 C2 C3 128.5(5) . . ?
C3 C2 C1 117.8(5) . . ?
C2 C3 H3 118.8 . . ?
C2 C3 C4 122.3(5) . . ?
C4 C3 H3 118.8 . . ?
O2 C4 C3 123.3(5) . . ?
O2 C4 C5 116.2(5) . . ?
C3 C4 C5 120.5(5) . . ?
C6 C5 C4 121.5(5) . . ?
C14 C5 C4 118.0(5) . . ?
C14 C5 C6 120.5(5) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.7(5) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 H7 119.4 . . ?
C6 C7 C8 121.2(6) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C13 119.1(5) . . ?
C9 C8 C7 122.8(6) . . ?
C9 C8 C13 118.2(6) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.0(6) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.7(6) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.4(6) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(6) . . ?
C13 C12 H12 119.4 . . ?
C8 C13 C14 118.3(5) . . ?
C12 C13 C8 119.5(5) . . ?
C12 C13 C14 122.2(6) . . ?
C5 C14 C13 121.2(5) . . ?
C5 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
F4 C15 F5 111.9(8) . . ?
F4 C15 F6 103.8(6) . . ?
F4 C15 C16 113.3(6) . . ?
F5 C15 F6 104.5(7) . . ?
F5 C15 C16 110.1(6) . . ?
F6 C15 C16 112.8(5) . . ?
O3 C16 C15 112.3(5) . . ?
O3 C16 C17 128.8(5) . . ?
C17 C16 C15 118.7(6) . . ?
C16 C17 H17 119.3 . . ?
C16 C17 C18 121.5(6) . . ?
C18 C17 H17 119.3 . . ?
O4 C18 C17 122.4(5) . . ?
O4 C18 C19 116.5(5) . . ?
C17 C18 C19 121.0(5) . . ?
C20 C19 C18 123.4(5) . . ?
C28 C19 C18 117.4(5) . . ?
C28 C19 C20 119.0(5) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.5(6) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 119.5 . . ?
C20 C21 C22 120.9(6) . . ?
C22 C21 H21 119.5 . . ?
C21 C22 C23 122.5(7) . . ?
C27 C22 C21 119.1(5) . . ?
C27 C22 C23 118.5(6) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.8(7) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(6) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(7) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(7) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 119.8(5) . . ?
C28 C27 C22 118.8(5) . . ?
C28 C27 C26 121.4(6) . . ?
C19 C28 C27 121.5(5) . . ?
C19 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
F7 C29 F8 106.7(7) . . ?
F7 C29 F9 109.9(8) . . ?
F7 C29 C30 115.0(5) . . ?
F8 C29 F9 104.1(5) . . ?
F8 C29 C30 111.0(7) . . ?
F9 C29 C30 109.6(6) . . ?
O5 C30 C29 112.5(5) . . ?
O5 C30 C31 129.8(5) . . ?
C31 C30 C29 117.7(5) . . ?
C30 C31 H31 119.0 . . ?
C30 C31 C32 122.0(5) . . ?
C32 C31 H31 119.0 . . ?
O6 C32 C31 121.6(5) . . ?
O6 C32 C33 117.7(4) . . ?
C31 C32 C33 120.7(5) . . ?
C34 C33 C32 123.2(5) . . ?
C42 C33 C32 118.3(5) . . ?
C42 C33 C34 118.4(5) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.4(5) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 118.9 . . ?
C34 C35 C36 122.2(5) . . ?
C36 C35 H35 118.9 . . ?
C35 C36 C37 123.4(5) . . ?
C35 C36 C41 117.9(5) . . ?
C37 C36 C41 118.7(5) . . ?
C36 C37 H37 119.4 . . ?
C38 C37 C36 121.2(6) . . ?
C38 C37 H37 119.4 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.7(6) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 119.4 . . ?
C40 C39 C38 121.1(6) . . ?
C40 C39 H39 119.4 . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.5(6) . . ?
C41 C40 H40 119.7 . . ?
C36 C41 C40 118.6(5) . . ?
C42 C41 C36 119.1(5) . . ?
C42 C41 C40 122.4(5) . . ?
C33 C42 C41 122.0(5) . . ?
C33 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
N1 C43 H43 118.2 . . ?
N1 C43 C44 123.5(5) . . ?
C44 C43 H43 118.2 . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.8(5) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 116.1(5) . . ?
C44 C45 C53 123.2(5) . . ?
C46 C45 C53 120.6(5) . . ?
C45 C46 H46 119.2 . . ?
C47 C46 C45 121.6(5) . . ?
C47 C46 H46 119.2 . . ?
N1 C47 C46 121.7(5) . . ?
N1 C47 C48 115.1(4) . . ?
C46 C47 C48 123.1(5) . . ?
N2 C48 C47 115.5(4) . . ?
N2 C48 C49 121.7(5) . . ?
C49 C48 C47 122.8(5) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 C48 121.4(5) . . ?
C50 C49 H49 119.3 . . ?
C49 C50 C51 116.5(5) . . ?
C49 C50 C57 122.5(5) . . ?
C51 C50 C57 121.0(5) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 C50 120.3(5) . . ?
C52 C51 H51 119.8 . . ?
N2 C52 C51 123.3(5) . . ?
N2 C52 H52 118.4 . . ?
C51 C52 H52 118.4 . . ?
C54 C53 C45 111.7(5) . . ?
C54 C53 C55 109.7(7) . . ?
C54 C53 C56 108.2(7) . . ?
C55 C53 C45 109.0(5) . . ?
C55 C53 C56 109.4(6) . . ?
C56 C53 C45 108.8(5) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C50 C57 C58 101.4(6) . . ?
C50 C57 C58A 100.5(6) . . ?
C59 C57 C50 112.4(6) . . ?
C59 C57 C58 103.9(8) . . ?
C60 C57 C50 114.8(7) . . ?
C60 C57 C58 105.2(9) . . ?
C60 C57 C59 116.9(9) . . ?
C59A C57 C50 116.9(7) . . ?
C59A C57 C58A 103.0(11) . . ?
C59A C57 C60A 115.0(12) . . ?
C60A C57 C50 116.9(9) . . ?
C60A C57 C58A 100.4(12) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C57 C58A H58D 109.5 . . ?
C57 C58A H58E 109.5 . . ?
C57 C58A H58F 109.5 . . ?
H58D C58A H58E 109.5 . . ?
H58D C58A H58F 109.5 . . ?
H58E C58A H58F 109.5 . . ?
C57 C59A H59D 109.5 . . ?
C57 C59A H59E 109.5 . . ?
C57 C59A H59F 109.5 . . ?
H59D C59A H59E 109.5 . . ?
H59D C59A H59F 109.5 . . ?
H59E C59A H59F 109.5 . . ?
C57 C60A H60D 109.5 . . ?
C57 C60A H60E 109.5 . . ?
C57 C60A H60F 109.5 . . ?
H60D C60A H60E 109.5 . . ?
H60D C60A H60F 109.5 . . ?
H60E C60A H60F 109.5 . . ?

_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 1.816
_oxdiff_exptl_absorpt_empirical_full_min 0.641
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 2054070'
loop_
_audit_author_name
_audit_author_address
ww
;Ningxia University
China
;
_audit_update_record             
;
2021-01-05 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_date             2020-12-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H36 Dy F9 N2 O6'
_chemical_formula_sum            'C54 H36 Dy F9 N2 O6'
_chemical_formula_weight         1142.35
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.554(2)
_cell_length_b                   28.108(5)
_cell_length_c                   15.250(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.622(5)
_cell_angle_gamma                90
_cell_volume                     4792.3(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      20.40
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.853
_shelx_estimated_absorpt_T_min   0.827
_exptl_absorpt_coefficient_mu    1.648
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2276
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1103
_diffrn_reflns_av_unetI/netI     0.1290
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41674
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.574
_diffrn_reflns_theta_min         1.559
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5436
_reflns_number_total             11028
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.726
_refine_diff_density_min         -1.812
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         11028
_refine_ls_number_restraints     189
_refine_ls_R_factor_all          0.1732
_refine_ls_R_factor_gt           0.0851
_refine_ls_restrained_S_all      1.007
_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)+(0.1193P)²+6.7237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2003
_refine_ls_wR_factor_ref         0.2487
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F7A-C29 \\sim F7-C29 \\sim F9A-C29 \\sim F9-C29 \\sim F8A-C29 \\sim F8-C29
 with sigma of 0.02
 F2A-C1 \\sim F1-C1 \\sim F1A-C1 \\sim F3-C1 \\sim F3A-C1 \\sim F2-C1
 with sigma of 0.02
 F6A-C15 \\sim F6-C15 \\sim F4A-C15 \\sim F4-C15 \\sim F5A-C15 \\sim F5-C15
 with sigma of 0.02
 F1-F2 \\sim F1-F3 \\sim F2-F3
 with sigma of 0.02
 F4-F5 \\sim F4-F6 \\sim F5-F6
 with sigma of 0.02
 F7-F8 \\sim F7-F9 \\sim F8-F9
 with sigma of 0.02
 F1A-F2A \\sim F1A-F3A \\sim F2A-F3A
 with sigma of 0.02
 F4A-F5A \\sim F4A-F6A \\sim F5A-F6A
 with sigma of 0.02
 F7A-F8A \\sim F7A-F9A \\sim F8A-F9A
 with sigma of 0.02
 C2-F1 \\sim C2-F2 \\sim C2-F3
 with sigma of 0.02
 C2-F1A \\sim C2-F2A \\sim C2-F3A
 with sigma of 0.02
 C16-F4 \\sim C16-F5 \\sim C16-F6
 with sigma of 0.02
 C16-F4A \\sim C16-F5A \\sim C16-F6A
 with sigma of 0.02
 C30-F7 \\sim C30-F8 \\sim C30-F9
 with sigma of 0.02
 C30-F7A \\sim C30-F8A \\sim C30-F9A
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C1, F2, F3, F1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C1, F2A, F3A, F1A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C15, F6, F5, F4
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C15, F4A, F6A, F5A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C29, F7A, F9A, F8A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C29, F8, F7, F9
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Others
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
 Sof(F2A)=Sof(F3A)=Sof(F1A)=1-FVAR(2)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(2)
 Sof(F6A)=Sof(F4A)=Sof(F5A)=1-FVAR(3)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(3)
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13), C14(H14),
 C17(H17), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C27(H27), C28(H28),
  C31(H31), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41),
 C42(H42), C43(H43), C44(H44), C46(H46), C49(H49), C51(H51), C52(H52)
5.b Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C)
;
_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
Dy01 Dy 0.27667(5) 0.31312(2) 0.64075(3) 0.04996(19) Uani 1 1 d . . . . .
F1 F 0.5986(11) 0.1781(6) 0.7092(8) 0.106(5) Uani 0.78(3) 1 d D U P A 1
F2 F 0.5621(13) 0.2017(6) 0.5751(12) 0.129(6) Uani 0.78(3) 1 d D U P A 1
F3 F 0.4891(13) 0.1362(5) 0.6057(16) 0.155(7) Uani 0.78(3) 1 d D U P A 1
F4 F 0.0331(11) 0.3351(3) 0.8716(9) 0.121(5) Uani 0.873(19) 1 d D U P B 1
F5 F 0.0040(9) 0.3942(6) 0.7859(7) 0.136(6) Uani 0.873(19) 1 d D U P B 1
F6 F 0.1075(9) 0.4003(4) 0.9193(8) 0.119(5) Uani 0.873(19) 1 d D U P B 1
F7 F 0.5823(12) 0.4513(4) 0.5382(14) 0.128(6) Uani 0.80(2) 1 d D U P C 1
F8 F 0.6537(9) 0.3916(6) 0.6165(10) 0.134(6) Uani 0.80(2) 1 d D U P C 1
F9 F 0.5670(13) 0.3832(6) 0.4778(10) 0.138(6) Uani 0.80(2) 1 d D U P C 1
O1 O 0.4146(7) 0.2501(3) 0.6602(5) 0.064(2) Uani 1 1 d . . . . .
O2 O 0.1780(7) 0.2431(2) 0.6632(5) 0.0600(19) Uani 1 1 d . . . . .
O3 O 0.1709(7) 0.3303(3) 0.7500(5) 0.0590(19) Uani 1 1 d . . . . .
O4 O 0.4133(7) 0.3380(3) 0.7732(5) 0.0600(19) Uani 1 1 d . . . . .
O5 O 0.4235(7) 0.3534(3) 0.5894(5) 0.064(2) Uani 1 1 d . . . . .
O6 O 0.2178(7) 0.3920(2) 0.6184(5) 0.0576(18) Uani 1 1 d . . . . .
N1 N 0.2587(7) 0.2826(3) 0.4813(5) 0.054(2) Uani 1 1 d . . . . .
N2 N 0.0690(7) 0.3099(3) 0.5374(5) 0.0483(19) Uani 1 1 d . . . . .
C1 C 0.5062(11) 0.1805(4) 0.6329(7) 0.086(3) Uani 1 1 d D U . . .
C2 C 0.4007(11) 0.2063(4) 0.6500(7) 0.064(3) Uani 1 1 d D . . . .
C3 C 0.3026(11) 0.1781(4) 0.6485(8) 0.071(4) Uani 1 1 d . . . . .
H3 H 0.307859 0.145375 0.641418 0.086 Uiso 1 1 calc R . . . .
C4 C 0.1902(10) 0.1989(4) 0.6577(8) 0.058(3) Uani 1 1 d . . . . .
C5 C 0.0897(13) 0.1675(4) 0.6568(8) 0.067(3) Uani 1 1 d . . . . .
C6 C 0.0970(13) 0.1219(4) 0.6892(8) 0.076(4) Uani 1 1 d . . . . .
H6 H 0.172467 0.108833 0.712685 0.091 Uiso 1 1 calc R . . . .
C7 C -0.0039(12) 0.0936(4) 0.6888(9) 0.070(3) Uani 1 1 d . . . . .
C8 C 0.0027(14) 0.0467(5) 0.7186(9) 0.086(4) Uani 1 1 d . . . . .
H8 H 0.077680 0.033789 0.744389 0.103 Uiso 1 1 calc R . . . .
C9 C -0.0942(15) 0.0194(5) 0.7119(11) 0.097(5) Uani 1 1 d . . . . .
H9 H -0.086526 -0.011532 0.734446 0.116 Uiso 1 1 calc R . . . .
C10 C -0.2077(14) 0.0381(6) 0.6704(10) 0.089(4) Uani 1 1 d . . . . .
H10 H -0.275734 0.019325 0.663177 0.107 Uiso 1 1 calc R . . . .
C11 C -0.2165(13) 0.0831(6) 0.6414(10) 0.091(4) Uani 1 1 d . . . . .
H11 H -0.292353 0.095222 0.615520 0.109 Uiso 1 1 calc R . . . .
C12 C -0.1197(13) 0.1127(5) 0.6476(9) 0.075(4) Uani 1 1 d . . . . .
C13 C -0.1283(13) 0.1605(5) 0.6152(12) 0.099(5) Uani 1 1 d . . . . .
H13 H -0.202771 0.173802 0.589096 0.119 Uiso 1 1 calc R . . . .
C14 C -0.0248(12) 0.1872(4) 0.6228(10) 0.074(4) Uani 1 1 d . . . . .
H14 H -0.031534 0.218959 0.604957 0.089 Uiso 1 1 calc R . . . .
C15 C 0.0855(10) 0.3724(3) 0.8487(7) 0.066(2) Uani 1 1 d D U . . .
C16 C 0.1966(9) 0.3595(3) 0.8149(7) 0.053(3) Uani 1 1 d D . . . .
C17 C 0.3018(10) 0.3794(4) 0.8567(8) 0.067(3) Uani 1 1 d . . . . .
H17 H 0.304169 0.401372 0.902756 0.081 Uiso 1 1 calc R . . . .
C18 C 0.4098(9) 0.3680(4) 0.8325(7) 0.056(3) Uani 1 1 d . . . . .
C19 C 0.5285(10) 0.3904(4) 0.8822(8) 0.060(3) Uani 1 1 d . . . . .
C20 C 0.5389(12) 0.4207(4) 0.9522(8) 0.070(3) Uani 1 1 d . . . . .
H20 H 0.471951 0.428054 0.972966 0.084 Uiso 1 1 calc R . . . .
C21 C 0.6502(10) 0.4412(4) 0.9944(7) 0.060(3) Uani 1 1 d . . . . .
C22 C 0.6675(15) 0.4727(5) 1.0694(9) 0.095(5) Uani 1 1 d . . . . .
H22 H 0.602369 0.481675 1.091043 0.114 Uiso 1 1 calc R . . . .
C23 C 0.7807(15) 0.4905(6) 1.1109(11) 0.104(5) Uani 1 1 d . . . . .
H23 H 0.790466 0.510696 1.160554 0.125 Uiso 1 1 calc R . . . .
C24 C 0.8793(16) 0.4782(5) 1.0787(11) 0.098(5) Uani 1 1 d . . . . .
H24 H 0.954604 0.490325 1.106225 0.118 Uiso 1 1 calc R . . . .
C25 C 0.8650(13) 0.4494(5) 1.0093(12) 0.094(5) Uani 1 1 d . . . . .
H25 H 0.931872 0.440988 0.989331 0.113 Uiso 1 1 calc R . . . .
C26 C 0.7514(11) 0.4303(4) 0.9628(9) 0.073(3) Uani 1 1 d . . . . .
C27 C 0.7390(10) 0.3988(5) 0.8880(10) 0.080(4) Uani 1 1 d . . . . .
H27 H 0.804935 0.390431 0.866819 0.096 Uiso 1 1 calc R . . . .
C28 C 0.6256(10) 0.3805(5) 0.8471(9) 0.075(4) Uani 1 1 d . . . . .
H28 H 0.615187 0.361437 0.795856 0.090 Uiso 1 1 calc R . . . .
C29 C 0.5584(12) 0.4065(4) 0.5515(8) 0.092(3) Uani 1 1 d D U . . .
C30 C 0.4412(10) 0.3970(4) 0.5791(7) 0.061(3) Uani 1 1 d D . . . .
C31 C 0.3749(10) 0.4357(4) 0.5866(8) 0.066(3) Uani 1 1 d . . . . .
H31 H 0.405080 0.465827 0.580162 0.079 Uiso 1 1 calc R . . . .
C32 C 0.2622(10) 0.4316(4) 0.6039(7) 0.053(3) Uani 1 1 d . . . . .
C33 C 0.1873(10) 0.4745(4) 0.6088(7) 0.054(3) Uani 1 1 d . . . . .
C34 C 0.0752(10) 0.4685(4) 0.6201(7) 0.058(3) Uani 1 1 d . . . . .
H34 H 0.046847 0.437820 0.623830 0.070 Uiso 1 1 calc R . . . .
C35 C -0.0006(10) 0.5080(4) 0.6263(7) 0.059(3) Uani 1 1 d . . . . .
C36 C -0.1168(13) 0.5018(5) 0.6359(9) 0.080(4) Uani 1 1 d . . . . .
H36 H -0.145944 0.471209 0.639871 0.096 Uiso 1 1 calc R . . . .
C37 C -0.1875(13) 0.5399(6) 0.6396(9) 0.088(4) Uani 1 1 d . . . . .
H37 H -0.264409 0.535486 0.646751 0.106 Uiso 1 1 calc R . . . .
C38 C -0.1437(15) 0.5861(6) 0.6326(9) 0.091(5) Uani 1 1 d . . . . .
H38 H -0.192074 0.612219 0.635350 0.110 Uiso 1 1 calc R . . . .
C39 C -0.0360(14) 0.5928(5) 0.6223(9) 0.081(4) Uani 1 1 d . . . . .
H39 H -0.009062 0.623602 0.617689 0.097 Uiso 1 1 calc R . . . .
C40 C 0.0410(12) 0.5536(4) 0.6179(7) 0.067(3) Uani 1 1 d . . . . .
C41 C 0.1570(12) 0.5596(4) 0.6065(9) 0.077(4) Uani 1 1 d . . . . .
H41 H 0.186734 0.590126 0.603561 0.092 Uiso 1 1 calc R . . . .
C42 C 0.2272(12) 0.5211(4) 0.5998(8) 0.069(3) Uani 1 1 d . . . . .
H42 H 0.302120 0.525873 0.589062 0.083 Uiso 1 1 calc R . . . .
C43 C 0.3557(10) 0.2742(4) 0.4537(8) 0.070(3) Uani 1 1 d . . . . .
H43 H 0.429463 0.282787 0.491154 0.084 Uiso 1 1 calc R . . . .
C44 C 0.3522(10) 0.2529(4) 0.3705(7) 0.063(3) Uani 1 1 d . . . . .
H44 H 0.422216 0.249079 0.351701 0.076 Uiso 1 1 calc R . . . .
C45 C 0.2462(10) 0.2379(4) 0.3172(7) 0.053(3) Uani 1 1 d . . . . .
C46 C 0.1460(9) 0.2456(4) 0.3464(7) 0.051(3) Uani 1 1 d . . . . .
H46 H 0.072527 0.235160 0.311111 0.061 Uiso 1 1 calc R . . . .
C47 C 0.1505(9) 0.2688(3) 0.4283(6) 0.045(2) Uani 1 1 d . . . . .
C48 C 0.0455(9) 0.2829(3) 0.4593(6) 0.044(2) Uani 1 1 d . . . . .
C49 C -0.0706(9) 0.2709(4) 0.4143(7) 0.055(3) Uani 1 1 d . . . . .
H49 H -0.084427 0.252026 0.362613 0.066 Uiso 1 1 calc R . . . .
C50 C -0.1668(10) 0.2869(4) 0.4457(8) 0.059(3) Uani 1 1 d . . . . .
C51 C -0.1422(9) 0.3150(4) 0.5201(7) 0.057(3) Uani 1 1 d . . . . .
H51 H -0.204013 0.327938 0.541368 0.068 Uiso 1 1 calc R . . . .
C52 C -0.0235(10) 0.3245(4) 0.5646(8) 0.058(3) Uani 1 1 d . . . . .
H52 H -0.009172 0.342547 0.617347 0.069 Uiso 1 1 calc R . . . .
C53 C 0.2409(12) 0.2137(5) 0.2252(8) 0.075(4) Uani 1 1 d . . . . .
H53A H 0.280940 0.233355 0.190565 0.113 Uiso 1 1 calc GR . . . .
H53B H 0.158895 0.209567 0.192501 0.113 Uiso 1 1 calc GR . . . .
H53C H 0.279522 0.183269 0.235506 0.113 Uiso 1 1 calc GR . . . .
C54 C -0.2920(11) 0.2736(5) 0.3987(9) 0.087(4) Uani 1 1 d . . . . .
H54A H -0.330152 0.299858 0.362497 0.131 Uiso 1 1 calc GR . . . .
H54B H -0.335205 0.265883 0.442970 0.131 Uiso 1 1 calc GR . . . .
H54C H -0.291249 0.246520 0.360517 0.131 Uiso 1 1 calc GR . . . .
F7A F 0.632(4) 0.435(2) 0.609(4) 0.17(2) Uani 0.20(2) 1 d D U P C 2
F8A F 0.617(4) 0.3671(11) 0.544(5) 0.144(19) Uani 0.20(2) 1 d D U P C 2
F9A F 0.537(4) 0.428(3) 0.470(3) 0.131(18) Uani 0.20(2) 1 d D U P C 2
F2A F 0.599(3) 0.2077(13) 0.629(4) 0.111(12) Uani 0.22(3) 1 d D U P A 2
F3A F 0.476(3) 0.1579(18) 0.552(2) 0.103(14) Uani 0.22(3) 1 d D U P A 2
F1A F 0.548(4) 0.1467(17) 0.694(3) 0.132(14) Uani 0.22(3) 1 d D U P A 2
F6A F 0.074(4) 0.4180(7) 0.853(4) 0.075(14) Uani 0.127(19) 1 d D U P B 2
F4A F 0.096(4) 0.354(2) 0.929(2) 0.090(15) Uani 0.127(19) 1 d D U P B 2
F5A F -0.011(2) 0.3553(19) 0.795(3) 0.074(13) Uani 0.127(19) 1 d D U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy01 O1 2.351(7) . ?
Dy01 O2 2.344(7) . ?
Dy01 O3 2.352(7) . ?
Dy01 O4 2.335(7) . ?
Dy01 O5 2.332(8) . ?
Dy01 O6 2.319(7) . ?
Dy01 N1 2.536(8) . ?
Dy01 N2 2.518(8) . ?
F1 C1 1.367(12) . ?
F2 C1 1.356(12) . ?
F3 C1 1.313(12) . ?
F4 C15 1.303(11) . ?
F5 C15 1.313(11) . ?
F6 C15 1.303(10) . ?
F7 C29 1.316(12) . ?
F8 C29 1.349(12) . ?
F9 C29 1.326(12) . ?
O1 C2 1.247(12) . ?
O2 C4 1.255(12) . ?
O3 C16 1.261(11) . ?
O4 C18 1.246(12) . ?
O5 C30 1.259(12) . ?
O6 C32 1.268(12) . ?
N1 C43 1.314(13) . ?
N1 C47 1.363(12) . ?
N2 C48 1.382(11) . ?
N2 C52 1.305(13) . ?
C1 C2 1.496(17) . ?
C1 F2A 1.327(17) . ?
C1 F3A 1.349(16) . ?
C1 F1A 1.338(16) . ?
C2 C3 1.378(16) . ?
C3 H3 0.9300 . ?
C3 C4 1.463(16) . ?
C4 C5 1.455(17) . ?
C5 C6 1.370(16) . ?
C5 C14 1.407(18) . ?
C6 H6 0.9300 . ?
C6 C7 1.409(17) . ?
C7 C8 1.390(17) . ?
C7 C12 1.430(18) . ?
C8 H8 0.9300 . ?
C8 C9 1.342(18) . ?
C9 H9 0.9300 . ?
C9 C10 1.41(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.34(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(18) . ?
C12 C13 1.428(18) . ?
C13 H13 0.9300 . ?
C13 C14 1.391(18) . ?
C14 H14 0.9300 . ?
C15 C16 1.543(14) . ?
C15 F6A 1.290(17) . ?
C15 F4A 1.303(17) . ?
C15 F5A 1.296(17) . ?
C16 C17 1.344(15) . ?
C17 H17 0.9300 . ?
C17 C18 1.424(15) . ?
C18 C19 1.525(15) . ?
C19 C20 1.346(15) . ?
C19 C28 1.388(15) . ?
C20 H20 0.9300 . ?
C20 C21 1.408(16) . ?
C21 C22 1.421(16) . ?
C21 C26 1.407(16) . ?
C22 H22 0.9300 . ?
C22 C23 1.394(19) . ?
C23 H23 0.9300 . ?
C23 C24 1.39(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.309(19) . ?
C25 H25 0.9300 . ?
C25 C26 1.430(17) . ?
C26 C27 1.423(17) . ?
C27 H27 0.9300 . ?
C27 C28 1.399(16) . ?
C28 H28 0.9300 . ?
C29 C30 1.540(16) . ?
C29 F7A 1.321(17) . ?
C29 F8A 1.320(17) . ?
C29 F9A 1.341(16) . ?
C30 C31 1.353(15) . ?
C31 H31 0.9300 . ?
C31 C32 1.397(15) . ?
C32 C33 1.496(15) . ?
C33 C34 1.360(14) . ?
C33 C42 1.407(15) . ?
C34 H34 0.9300 . ?
C34 C35 1.431(15) . ?
C35 C36 1.398(17) . ?
C35 C40 1.387(16) . ?
C36 H36 0.9300 . ?
C36 C37 1.357(18) . ?
C37 H37 0.9300 . ?
C37 C38 1.41(2) . ?
C38 H38 0.9300 . ?
C38 C39 1.306(19) . ?
C39 H39 0.9300 . ?
C39 C40 1.428(16) . ?
C40 C41 1.404(17) . ?
C41 H41 0.9300 . ?
C41 C42 1.371(16) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C43 C44 1.395(14) . ?
C44 H44 0.9300 . ?
C44 C45 1.356(14) . ?
C45 C46 1.360(14) . ?
C45 C53 1.544(14) . ?
C46 H46 0.9300 . ?
C46 C47 1.397(13) . ?
C47 C48 1.464(13) . ?
C48 C49 1.386(14) . ?
C49 H49 0.9300 . ?
C49 C50 1.390(14) . ?
C50 C51 1.354(15) . ?
C50 C54 1.491(16) . ?
C51 H51 0.9300 . ?
C51 C52 1.393(15) . ?
C52 H52 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy01 O3 121.5(3) . . ?
O1 Dy01 N1 75.8(3) . . ?
O1 Dy01 N2 124.1(3) . . ?
O2 Dy01 O1 71.8(3) . . ?
O2 Dy01 O3 73.1(2) . . ?
O2 Dy01 N1 86.0(3) . . ?
O2 Dy01 N2 68.9(3) . . ?
O3 Dy01 N1 144.8(3) . . ?
O3 Dy01 N2 82.4(3) . . ?
O4 Dy01 O1 80.1(3) . . ?
O4 Dy01 O2 111.9(3) . . ?
O4 Dy01 O3 71.6(3) . . ?
O4 Dy01 N1 143.5(3) . . ?
O4 Dy01 N2 151.8(3) . . ?
O5 Dy01 O1 83.1(3) . . ?
O5 Dy01 O2 151.5(2) . . ?
O5 Dy01 O3 133.7(3) . . ?
O5 Dy01 O4 75.8(3) . . ?
O5 Dy01 N1 74.5(3) . . ?
O5 Dy01 N2 117.8(3) . . ?
O6 Dy01 O1 154.6(3) . . ?
O6 Dy01 O2 133.6(3) . . ?
O6 Dy01 O3 73.9(3) . . ?
O6 Dy01 O4 87.2(3) . . ?
O6 Dy01 O5 72.4(3) . . ?
O6 Dy01 N1 103.4(3) . . ?
O6 Dy01 N2 75.2(3) . . ?
N2 Dy01 N1 63.5(3) . . ?
C2 O1 Dy01 131.8(7) . . ?
C4 O2 Dy01 139.0(7) . . ?
C16 O3 Dy01 128.9(6) . . ?
C18 O4 Dy01 133.8(7) . . ?
C30 O5 Dy01 132.0(7) . . ?
C32 O6 Dy01 138.5(7) . . ?
C43 N1 Dy01 119.8(7) . . ?
C43 N1 C47 119.1(9) . . ?
C47 N1 Dy01 120.5(6) . . ?
C48 N2 Dy01 120.5(6) . . ?
C52 N2 Dy01 121.2(7) . . ?
C52 N2 C48 116.6(9) . . ?
F1 C1 C2 111.9(9) . . ?
F2 C1 F1 100.2(10) . . ?
F2 C1 C2 116.4(10) . . ?
F3 C1 F1 104.1(11) . . ?
F3 C1 F2 105.6(11) . . ?
F3 C1 C2 116.7(11) . . ?
F2A C1 C2 115.4(16) . . ?
F2A C1 F3A 105.1(16) . . ?
F2A C1 F1A 106.7(17) . . ?
F3A C1 C2 110.6(15) . . ?
F1A C1 C2 112.8(15) . . ?
F1A C1 F3A 105.6(17) . . ?
O1 C2 C1 114.5(10) . . ?
O1 C2 C3 130.5(12) . . ?
C3 C2 C1 115.0(10) . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 121.0(11) . . ?
C4 C3 H3 119.5 . . ?
O2 C4 C3 121.3(11) . . ?
O2 C4 C5 119.9(11) . . ?
C5 C4 C3 118.8(11) . . ?
C6 C5 C4 126.0(13) . . ?
C6 C5 C14 117.9(13) . . ?
C14 C5 C4 116.0(11) . . ?
C5 C6 H6 118.3 . . ?
C5 C6 C7 123.4(13) . . ?
C7 C6 H6 118.3 . . ?
C6 C7 C12 118.2(12) . . ?
C8 C7 C6 123.7(13) . . ?
C8 C7 C12 117.8(12) . . ?
C7 C8 H8 118.6 . . ?
C9 C8 C7 122.9(15) . . ?
C9 C8 H8 118.6 . . ?
C8 C9 H9 120.5 . . ?
C8 C9 C10 119.0(14) . . ?
C10 C9 H9 120.5 . . ?
C9 C10 H10 120.4 . . ?
C11 C10 C9 119.2(14) . . ?
C11 C10 H10 120.4 . . ?
C10 C11 H11 118.1 . . ?
C10 C11 C12 123.7(15) . . ?
C12 C11 H11 118.1 . . ?
C11 C12 C7 117.3(13) . . ?
C11 C12 C13 124.0(14) . . ?
C13 C12 C7 118.7(12) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.7(14) . . ?
C14 C13 H13 120.1 . . ?
C5 C14 H14 119.1 . . ?
C13 C14 C5 121.8(13) . . ?
C13 C14 H14 119.1 . . ?
F4 C15 F5 106.0(10) . . ?
F4 C15 F6 105.7(9) . . ?
F4 C15 C16 112.5(9) . . ?
F5 C15 C16 111.7(9) . . ?
F6 C15 F5 106.0(9) . . ?
F6 C15 C16 114.4(9) . . ?
F6A C15 C16 110.7(18) . . ?
F6A C15 F4A 109.1(19) . . ?
F6A C15 F5A 108.6(19) . . ?
F4A C15 C16 109.7(18) . . ?
F5A C15 C16 111.0(17) . . ?
F5A C15 F4A 107.7(19) . . ?
O3 C16 C15 111.4(8) . . ?
O3 C16 C17 130.5(10) . . ?
C17 C16 C15 118.2(9) . . ?
C16 C17 H17 119.0 . . ?
C16 C17 C18 122.0(11) . . ?
C18 C17 H17 119.0 . . ?
O4 C18 C17 122.2(10) . . ?
O4 C18 C19 116.8(10) . . ?
C17 C18 C19 121.0(10) . . ?
C20 C19 C18 123.0(11) . . ?
C20 C19 C28 120.9(11) . . ?
C28 C19 C18 116.0(10) . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(12) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C22 123.4(12) . . ?
C26 C21 C20 119.8(11) . . ?
C26 C21 C22 116.8(12) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 121.0(15) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 119.7 . . ?
C22 C23 C24 120.5(16) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.4(16) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 118.4 . . ?
C24 C25 C26 123.1(16) . . ?
C26 C25 H25 118.4 . . ?
C21 C26 C25 119.2(13) . . ?
C21 C26 C27 119.0(11) . . ?
C27 C26 C25 121.7(13) . . ?
C26 C27 H27 120.7 . . ?
C28 C27 C26 118.7(11) . . ?
C28 C27 H27 120.7 . . ?
C19 C28 C27 120.7(12) . . ?
C19 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
F7 C29 F8 104.3(11) . . ?
F7 C29 F9 106.2(10) . . ?
F7 C29 C30 116.2(10) . . ?
F8 C29 C30 110.9(10) . . ?
F9 C29 F8 104.3(11) . . ?
F9 C29 C30 113.9(10) . . ?
F7A C29 C30 112.7(19) . . ?
F7A C29 F9A 106(2) . . ?
F8A C29 C30 112.8(18) . . ?
F8A C29 F7A 108(2) . . ?
F8A C29 F9A 105.7(19) . . ?
F9A C29 C30 111.4(17) . . ?
O5 C30 C29 112.6(9) . . ?
O5 C30 C31 131.3(11) . . ?
C31 C30 C29 116.0(9) . . ?
C30 C31 H31 119.2 . . ?
C30 C31 C32 121.6(11) . . ?
C32 C31 H31 119.2 . . ?
O6 C32 C31 122.9(11) . . ?
O6 C32 C33 115.7(9) . . ?
C31 C32 C33 121.4(10) . . ?
C34 C33 C32 119.2(10) . . ?
C34 C33 C42 118.2(10) . . ?
C42 C33 C32 122.5(10) . . ?
C33 C34 H34 118.9 . . ?
C33 C34 C35 122.1(11) . . ?
C35 C34 H34 118.9 . . ?
C36 C35 C34 122.1(12) . . ?
C40 C35 C34 118.6(11) . . ?
C40 C35 C36 119.3(11) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.7(13) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.6(14) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.6 . . ?
C39 C38 C37 120.9(13) . . ?
C39 C38 H38 119.6 . . ?
C38 C39 H39 119.4 . . ?
C38 C39 C40 121.3(14) . . ?
C40 C39 H39 119.4 . . ?
C35 C40 C39 118.3(13) . . ?
C35 C40 C41 119.1(11) . . ?
C41 C40 C39 122.7(13) . . ?
C40 C41 H41 119.5 . . ?
C42 C41 C40 121.1(12) . . ?
C42 C41 H41 119.5 . . ?
C33 C42 H42 119.6 . . ?
C41 C42 C33 120.8(12) . . ?
C41 C42 H42 119.6 . . ?
N1 C43 H43 118.7 . . ?
N1 C43 C44 122.5(11) . . ?
C44 C43 H43 118.7 . . ?
C43 C44 H44 120.2 . . ?
C45 C44 C43 119.6(10) . . ?
C45 C44 H44 120.2 . . ?
C44 C45 C46 117.9(9) . . ?
C44 C45 C53 120.3(10) . . ?
C46 C45 C53 121.7(10) . . ?
C45 C46 H46 119.2 . . ?
C45 C46 C47 121.6(10) . . ?
C47 C46 H46 119.2 . . ?
N1 C47 C46 119.1(9) . . ?
N1 C47 C48 116.2(8) . . ?
C46 C47 C48 124.6(9) . . ?
N2 C48 C47 115.4(8) . . ?
N2 C48 C49 121.0(9) . . ?
C49 C48 C47 123.6(9) . . ?
C48 C49 H49 119.7 . . ?
C48 C49 C50 120.7(10) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 C54 121.2(11) . . ?
C51 C50 C49 117.4(10) . . ?
C51 C50 C54 121.4(11) . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.5(10) . . ?
C52 C51 H51 120.2 . . ?
N2 C52 C51 124.7(10) . . ?
N2 C52 H52 117.7 . . ?
C51 C52 H52 117.7 . . ?
C45 C53 H53A 109.5 . . ?
C45 C53 H53B 109.5 . . ?
C45 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C50 C54 H54A 109.5 . . ?
C50 C54 H54B 109.5 . . ?
C50 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy01 O1 C2 C1 156.6(7) . . . . ?
Dy01 O1 C2 C3 -20.6(18) . . . . ?
Dy01 O2 C4 C3 12.8(19) . . . . ?
Dy01 O2 C4 C5 -164.6(8) . . . . ?
Dy01 O3 C16 C15 160.1(6) . . . . ?
Dy01 O3 C16 C17 -20.6(17) . . . . ?
Dy01 O4 C18 C17 31.2(17) . . . . ?
Dy01 O4 C18 C19 -151.9(8) . . . . ?
Dy01 O5 C30 C29 174.5(6) . . . . ?
Dy01 O5 C30 C31 -6.8(19) . . . . ?
Dy01 O6 C32 C31 7.8(17) . . . . ?
Dy01 O6 C32 C33 -170.7(7) . . . . ?
Dy01 N1 C43 C44 173.3(9) . . . . ?
Dy01 N1 C47 C46 -170.5(7) . . . . ?
Dy01 N1 C47 C48 14.0(12) . . . . ?
Dy01 N2 C48 C47 -17.2(11) . . . . ?
Dy01 N2 C48 C49 163.5(7) . . . . ?
Dy01 N2 C52 C51 -165.8(8) . . . . ?
F1 C1 C2 O1 72.1(13) . . . . ?
F1 C1 C2 C3 -110.2(13) . . . . ?
F2 C1 C2 O1 -42.2(16) . . . . ?
F2 C1 C2 C3 135.5(14) . . . . ?
F3 C1 C2 O1 -168.1(15) . . . . ?
F3 C1 C2 C3 9.6(17) . . . . ?
F4 C15 C16 O3 55.6(12) . . . . ?
F4 C15 C16 C17 -123.9(12) . . . . ?
F5 C15 C16 O3 -63.5(13) . . . . ?
F5 C15 C16 C17 117.1(13) . . . . ?
F6 C15 C16 O3 176.1(11) . . . . ?
F6 C15 C16 C17 -3.4(15) . . . . ?
F7 C29 C30 O5 179.1(13) . . . . ?
F7 C29 C30 C31 0.2(16) . . . . ?
F8 C29 C30 O5 -62.2(14) . . . . ?
F8 C29 C30 C31 118.9(13) . . . . ?
F9 C29 C30 O5 55.2(15) . . . . ?
F9 C29 C30 C31 -123.8(14) . . . . ?
O1 C2 C3 C4 2(2) . . . . ?
O2 C4 C5 C6 -150.1(12) . . . . ?
O2 C4 C5 C14 27.0(17) . . . . ?
O3 C16 C17 C18 -2(2) . . . . ?
O4 C18 C19 C20 -175.0(11) . . . . ?
O4 C18 C19 C28 9.4(16) . . . . ?
O5 C30 C31 C32 -4(2) . . . . ?
O6 C32 C33 C34 -5.6(15) . . . . ?
O6 C32 C33 C42 176.1(10) . . . . ?
N1 C43 C44 C45 -3.5(19) . . . . ?
N1 C47 C48 N2 2.0(13) . . . . ?
N1 C47 C48 C49 -178.7(9) . . . . ?
N2 C48 C49 C50 1.5(15) . . . . ?
C1 C2 C3 C4 -175.7(10) . . . . ?
C2 C3 C4 O2 3.3(18) . . . . ?
C2 C3 C4 C5 -179.3(11) . . . . ?
C3 C4 C5 C6 32.4(18) . . . . ?
C3 C4 C5 C14 -150.5(12) . . . . ?
C4 C5 C6 C7 178.1(12) . . . . ?
C4 C5 C14 C13 177.7(13) . . . . ?
C5 C6 C7 C8 177.7(13) . . . . ?
C5 C6 C7 C12 4(2) . . . . ?
C6 C5 C14 C13 -5(2) . . . . ?
C6 C7 C8 C9 -175.2(14) . . . . ?
C6 C7 C12 C11 174.9(12) . . . . ?
C6 C7 C12 C13 -4.7(19) . . . . ?
C7 C8 C9 C10 2(2) . . . . ?
C7 C12 C13 C14 1(2) . . . . ?
C8 C7 C12 C11 0.6(19) . . . . ?
C8 C7 C12 C13 -179.0(13) . . . . ?
C8 C9 C10 C11 -2(2) . . . . ?
C9 C10 C11 C12 2(2) . . . . ?
C10 C11 C12 C7 -1(2) . . . . ?
C10 C11 C12 C13 178.7(15) . . . . ?
C11 C12 C13 C14 -178.5(14) . . . . ?
C12 C7 C8 C9 -1(2) . . . . ?
C12 C13 C14 C5 4(2) . . . . ?
C14 C5 C6 C7 1.0(19) . . . . ?
C15 C16 C17 C18 177.3(10) . . . . ?
C16 C17 C18 O4 -2.0(19) . . . . ?
C16 C17 C18 C19 -178.8(11) . . . . ?
C17 C18 C19 C20 2.0(18) . . . . ?
C17 C18 C19 C28 -173.7(11) . . . . ?
C18 C19 C20 C21 -178.5(11) . . . . ?
C18 C19 C28 C27 -179.3(12) . . . . ?
C19 C20 C21 C22 -179.0(12) . . . . ?
C19 C20 C21 C26 0.4(18) . . . . ?
C20 C19 C28 C27 5(2) . . . . ?
C20 C21 C22 C23 177.3(14) . . . . ?
C20 C21 C26 C25 -176.6(12) . . . . ?
C20 C21 C26 C27 0.3(18) . . . . ?
C21 C22 C23 C24 1(2) . . . . ?
C21 C26 C27 C28 2(2) . . . . ?
C22 C21 C26 C25 2.8(18) . . . . ?
C22 C21 C26 C27 179.7(12) . . . . ?
C22 C23 C24 C25 -1(3) . . . . ?
C23 C24 C25 C26 1(3) . . . . ?
C24 C25 C26 C21 -3(2) . . . . ?
C24 C25 C26 C27 -179.4(15) . . . . ?
C25 C26 C27 C28 178.4(13) . . . . ?
C26 C21 C22 C23 -2(2) . . . . ?
C26 C27 C28 C19 -4(2) . . . . ?
C28 C19 C20 C21 -3.0(19) . . . . ?
C29 C30 C31 C32 174.6(10) . . . . ?
C30 C31 C32 O6 3.9(18) . . . . ?
C30 C31 C32 C33 -177.7(10) . . . . ?
C31 C32 C33 C34 175.9(10) . . . . ?
C31 C32 C33 C42 -2.4(16) . . . . ?
C32 C33 C34 C35 179.3(10) . . . . ?
C32 C33 C42 C41 -178.6(11) . . . . ?
C33 C34 C35 C36 178.6(11) . . . . ?
C33 C34 C35 C40 1.9(17) . . . . ?
C34 C33 C42 C41 3.1(18) . . . . ?
C34 C35 C36 C37 -178.5(12) . . . . ?
C34 C35 C40 C39 178.7(11) . . . . ?
C34 C35 C40 C41 -2.0(16) . . . . ?
C35 C36 C37 C38 1(2) . . . . ?
C35 C40 C41 C42 2.8(18) . . . . ?
C36 C35 C40 C39 1.9(17) . . . . ?
C36 C35 C40 C41 -178.8(11) . . . . ?
C36 C37 C38 C39 0(2) . . . . ?
C37 C38 C39 C40 0(2) . . . . ?
C38 C39 C40 C35 -1.0(19) . . . . ?
C38 C39 C40 C41 179.8(13) . . . . ?
C39 C40 C41 C42 -177.9(12) . . . . ?
C40 C35 C36 C37 -1.8(19) . . . . ?
C40 C41 C42 C33 -3.4(19) . . . . ?
C42 C33 C34 C35 -2.4(17) . . . . ?
C43 N1 C47 C46 0.6(15) . . . . ?
C43 N1 C47 C48 -174.9(10) . . . . ?
C43 C44 C45 C46 1.9(18) . . . . ?
C43 C44 C45 C53 -179.4(11) . . . . ?
C44 C45 C46 C47 0.8(16) . . . . ?
C45 C46 C47 N1 -2.1(15) . . . . ?
C45 C46 C47 C48 173.0(10) . . . . ?
C46 C47 C48 N2 -173.3(9) . . . . ?
C46 C47 C48 C49 6.0(16) . . . . ?
C47 N1 C43 C44 2.2(18) . . . . ?
C47 C48 C49 C50 -177.7(10) . . . . ?
C48 N2 C52 C51 -0.5(16) . . . . ?
C48 C49 C50 C51 1.3(16) . . . . ?
C48 C49 C50 C54 -179.0(11) . . . . ?
C49 C50 C51 C52 -3.6(17) . . . . ?
C50 C51 C52 N2 3.4(18) . . . . ?
C52 N2 C48 C47 177.4(9) . . . . ?
C52 N2 C48 C49 -1.9(14) . . . . ?
C53 C45 C46 C47 -177.9(10) . . . . ?
C54 C50 C51 C52 176.7(11) . . . . ?
F7A C29 C30 O5 -122(4) . . . . ?
F7A C29 C30 C31 59(4) . . . . ?
F8A C29 C30 O5 0(4) . . . . ?
F8A C29 C30 C31 -179(4) . . . . ?
F9A C29 C30 O5 119(4) . . . . ?
F9A C29 C30 C31 -60(4) . . . . ?
F2A C1 C2 O1 -1(3) . . . . ?
F2A C1 C2 C3 177(3) . . . . ?
F3A C1 C2 O1 -120(3) . . . . ?
F3A C1 C2 C3 57(3) . . . . ?
F1A C1 C2 O1 122(3) . . . . ?
F1A C1 C2 C3 -61(3) . . . . ?
F6A C15 C16 O3 -129(3) . . . . ?
F6A C15 C16 C17 51(3) . . . . ?
F4A C15 C16 O3 111(3) . . . . ?
F4A C15 C16 C17 -69(3) . . . . ?
F5A C15 C16 O3 -8(3) . . . . ?
F5A C15 C16 C17 172(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
