# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_Eu-MOF
_database_code_depnum_ccdc_archive 'CCDC 2381005'
loop_
_audit_author_name
_audit_author_address
'Yan ZHOU'
;Yunnan  University
China
;
_audit_update_record             
;
2024-08-31 deposited with the CCDC.	2024-12-20 downloaded from the CCDC.
;
_audit_creation_date             2024-07-25
_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         'C58 H29.51 Eu F4 N O11, C2 H8 N, C3 H7 N O'
_chemical_formula_sum            'C57 H0 Eu F4 N O10'
_chemical_formula_weight         1086.54
_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 0.0148 0.0070 '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'
Eu Eu -2.6997 10.5010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.9479(14)
_cell_length_b                   9.1728(5)
_cell_length_c                   39.8370(17)
_cell_angle_alpha                90
_cell_angle_beta                 119.898(3)
_cell_angle_gamma                90
_cell_volume                     7903.1(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9215
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      56.95
_cell_measurement_theta_min      3.89
_shelx_estimated_absorpt_T_max   0.667
_shelx_estimated_absorpt_T_min   0.272
_exptl_absorpt_coefficient_mu    4.403
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.5161
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    0.913
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0819
_diffrn_reflns_av_unetI/netI     0.0679
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            94009
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.053
_diffrn_reflns_theta_min         2.042
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12630
_reflns_number_total             16042
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.797
_refine_diff_density_min         -1.095
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     798
_refine_ls_number_reflns         16042
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0485
_refine_ls_restrained_S_all      1.089
_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)+(0.0620P)²+7.4126P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1212
_refine_ls_wR_factor_ref         0.1285
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N2-C3AA
 1.42 with sigma of 0.02
 C7AA-N2
 1.42 with sigma of 0.02
 N5-C2AA
 1.42 with sigma of 0.02
3. Rigid bond restraints
 C57, F5, C56
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(F5) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
5. Others
 Sof(N2)=Sof(C1AA)=Sof(C3AA)=Sof(H3AA)=Sof(C7AA)=1-FVAR(1)
 Sof(N5)=Sof(C0AA)=Sof(C2AA)=Sof(H2AA)=Sof(H2AB)=Sof(C8AA)=FVAR(1)
 Fixed Sof: F3(0.5) F4(0.5) H48(0.5) H50(0.5)
6.a Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), C2AA(H2AA,H2AB)
6.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C11(H11), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22),
 C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35),
  C36(H36), C38(H38), C40(H40), C43(H43), C44(H44), C46(H46), C47(H47),
 C48(H48), C49(H49), C50(H50), C51(H51), C52(H52), C56(H56), C3AA(H3AA),
 C4AA(H4AA)
6.c Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C55(H55A,H55B,H55C), C6AA(H6AA,H6AB,H6AC), C5AA(H5AA,
 H5AB,H5AC)
;
_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
Eu1 Eu 0.43022(2) -1.01582(2) 0.17898(2) 0.02227(7) Uani 1 1 d . . . . .
F1 F 0.36051(16) -0.5939(3) 0.07916(8) 0.0842(12) Uani 1 1 d . . . . .
F2 F -0.29260(16) -0.0712(5) -0.24163(9) 0.0992(14) Uani 1 1 d . . . . .
F3 F -0.1593(3) -0.7011(7) -0.44728(14) 0.0677(18) Uani 0.5 1 d . . P A 1
F4 F -0.3135(3) -0.6483(12) -0.40364(19) 0.120(4) Uani 0.5 1 d . . P B 2
F5 F 0.3514(3) -1.0955(9) -0.2017(3) 0.282(4) Uani 1 1 d . U . . .
O1 O 0.49301(13) -1.1228(3) 0.24077(7) 0.0379(7) Uani 1 1 d . . . . .
O2 O 0.50130(13) -0.8220(3) -0.16685(8) 0.0397(7) Uani 1 1 d . . . . .
O3 O 0.53261(14) -1.2950(3) 0.28481(8) 0.0418(7) Uani 1 1 d . . . . .
O4 O 0.38266(15) -1.0340(3) 0.10829(8) 0.0438(8) Uani 1 1 d . . . . .
O5 O -0.36373(14) -0.0259(4) -0.20923(9) 0.0495(9) Uani 1 1 d . . . . .
O6 O 0.40538(16) -0.8141(4) 0.13165(9) 0.0620(10) Uani 1 1 d . . . . .
O7 O 0.46727(15) -1.0434(4) -0.18478(11) 0.0527(9) Uani 1 1 d . . . . .
O8 O -0.2818(2) -0.7724(5) -0.49407(10) 0.0766(13) Uani 1 1 d . . . . .
O9 O -0.31808(18) -0.0433(6) -0.14716(10) 0.0935(17) Uani 1 1 d . . . . .
O10 O -0.3465(2) -0.6691(7) -0.47887(13) 0.126(2) Uani 1 1 d . . . . .
C1 C 0.05687(16) -0.5977(4) -0.19570(10) 0.0248(8) Uani 1 1 d . . . . .
C2 C 0.00380(16) -0.5943(4) -0.23569(10) 0.0251(8) Uani 1 1 d . . . . .
C3 C 0.11720(16) -0.6407(4) -0.19233(10) 0.0259(8) Uani 1 1 d . . . . .
C4 C 0.10074(17) -0.6156(4) -0.12441(10) 0.0279(8) Uani 1 1 d . . . . .
C5 C -0.00317(18) -0.4976(4) -0.16637(11) 0.0274(8) Uani 1 1 d . . . . .
C6 C -0.09364(19) -0.6161(5) -0.31272(11) 0.0351(10) Uani 1 1 d . . . . .
C7 C 0.46051(18) -0.9160(5) -0.17632(12) 0.0334(9) Uani 1 1 d . . . . .
C8 C 0.12048(18) -0.7648(5) -0.21136(11) 0.0319(9) Uani 1 1 d . . . . .
H8 H 0.084940 -0.818971 -0.226592 0.038 Uiso 1 1 calc R . . . .
C9 C 0.05198(17) -0.5719(4) -0.16373(10) 0.0268(8) Uani 1 1 d . . . . .
C10 C 0.00987(19) -0.5376(4) -0.26644(11) 0.0298(9) Uani 1 1 d . . . . .
H10 H 0.046516 -0.492537 -0.261450 0.036 Uiso 1 1 calc R . . . .
C11 C -0.02591(17) -0.3704(4) -0.18792(11) 0.0288(9) Uani 1 1 d . . . . .
H11 H -0.007203 -0.333295 -0.201289 0.035 Uiso 1 1 calc R . . . .
C12 C 0.19166(19) -0.6991(5) -0.04930(11) 0.0371(10) Uani 1 1 d . . . . .
C13 C 0.2398(2) -0.7474(5) -0.00981(11) 0.0379(10) Uani 1 1 d . . . . .
C14 C -0.15936(18) -0.2746(5) -0.17250(11) 0.0323(9) Uani 1 1 d . . . . .
C15 C 0.22965(18) -0.7305(5) -0.18610(11) 0.0330(9) Uani 1 1 d . . . . .
C16 C -0.0391(2) -0.5489(5) -0.30450(11) 0.0344(10) Uani 1 1 d . . . . .
H16 H -0.034732 -0.510302 -0.324598 0.041 Uiso 1 1 calc R . . . .
C17 C -0.1450(2) -0.6362(5) -0.35351(12) 0.0429(11) Uani 1 1 d . . . . .
C18 C 0.5202(2) -1.2395(5) 0.25366(12) 0.0404(10) Uani 1 1 d . . . . .
C19 C 0.1747(2) -0.7910(5) -0.08108(12) 0.0398(10) Uani 1 1 d . . . . .
H19 H 0.193779 -0.881294 -0.077532 0.048 Uiso 1 1 calc R . . . .
C20 C 0.13020(19) -0.7483(5) -0.11744(11) 0.0340(9) Uani 1 1 d . . . . .
H20 H 0.119506 -0.811290 -0.138123 0.041 Uiso 1 1 calc R . . . .
C21 C -0.05171(18) -0.6619(5) -0.24451(11) 0.0324(9) Uani 1 1 d . . . . .
H21 H -0.056620 -0.701063 -0.224675 0.039 Uiso 1 1 calc R . . . .
C22 C -0.07596(18) -0.2982(5) -0.18971(11) 0.0333(9) Uani 1 1 d . . . . .
H22 H -0.090155 -0.212604 -0.203994 0.040 Uiso 1 1 calc R . . . .
C23 C -0.10542(17) -0.3525(5) -0.17032(11) 0.0305(9) Uani 1 1 d . . . . .
C24 C -0.31800(18) -0.0607(5) -0.17806(12) 0.0328(9) Uani 1 1 d . . . . .
C25 C 0.37599(19) -0.8984(6) 0.10360(11) 0.0377(10) Uani 1 1 d . . . . .
C26 C -0.26147(19) -0.1276(5) -0.17642(12) 0.0333(9) Uani 1 1 d . . . . .
C27 C 0.1170(2) -0.5245(5) -0.09246(12) 0.0368(10) Uani 1 1 d . . . . .
H27 H 0.097155 -0.435257 -0.096004 0.044 Uiso 1 1 calc R . . . .
C28 C 0.1621(2) -0.5661(5) -0.05584(11) 0.0401(11) Uani 1 1 d . . . . .
H28 H 0.172823 -0.503237 -0.035122 0.048 Uiso 1 1 calc R . . . .
C29 C 0.17627(18) -0.8082(5) -0.20779(11) 0.0331(9) Uani 1 1 d . . . . .
H29 H 0.177565 -0.892193 -0.220433 0.040 Uiso 1 1 calc R . . . .
C30 C -0.21693(19) -0.1925(5) -0.14240(12) 0.0381(10) Uani 1 1 d . . . . .
H30 H -0.220623 -0.185904 -0.120348 0.046 Uiso 1 1 calc R . . . .
C31 C 0.22566(18) -0.6026(5) -0.16833(13) 0.0419(11) Uani 1 1 d . . . . .
H31 H 0.260770 -0.545573 -0.154350 0.050 Uiso 1 1 calc R . . . .
C32 C -0.09935(19) -0.6717(5) -0.28215(12) 0.0374(10) Uani 1 1 d . . . . .
H32 H -0.136131 -0.716374 -0.287267 0.045 Uiso 1 1 calc R . . . .
C33 C 0.40128(19) -0.8724(5) -0.17800(13) 0.0402(10) Uani 1 1 d . . . . .
C34 C -0.0824(2) -0.4785(5) -0.14874(13) 0.0373(10) Uani 1 1 d . . . . .
H34 H -0.101151 -0.515770 -0.135407 0.045 Uiso 1 1 calc R . . . .
C35 C -0.2032(2) -0.2073(5) -0.20650(13) 0.0432(11) Uani 1 1 d . . . . .
H35 H -0.198884 -0.209102 -0.228366 0.052 Uiso 1 1 calc R . . . .
C36 C -0.0322(2) -0.5498(5) -0.14664(12) 0.0362(10) Uani 1 1 d . . . . .
H36 H -0.017490 -0.634092 -0.131816 0.043 Uiso 1 1 calc R . . . .
C37 C 0.3305(2) -0.8422(5) 0.06437(11) 0.0371(10) Uani 1 1 d . . . . .
C38 C 0.17058(19) -0.5598(5) -0.17120(12) 0.0364(10) Uani 1 1 d . . . . .
H38 H 0.169265 -0.475253 -0.158739 0.044 Uiso 1 1 calc R . . . .
C39 C -0.25307(19) -0.1380(5) -0.20767(12) 0.0408(11) Uani 1 1 d . . . . .
C40 C 0.2788(2) -0.6468(5) 0.01773(12) 0.0471(12) Uani 1 1 d . . . . .
H40 H 0.275153 -0.547753 0.011981 0.057 Uiso 1 1 calc R . . . .
C41 C 0.3231(2) -0.6970(5) 0.05389(12) 0.0473(12) Uani 1 1 d . . . . .
C42 C 0.28931(19) -0.7783(5) -0.18271(12) 0.0367(10) Uani 1 1 d . . . . .
C43 C -0.16750(19) -0.2663(5) -0.14042(12) 0.0395(10) Uani 1 1 d . . . . .
H43 H -0.139169 -0.311307 -0.117394 0.047 Uiso 1 1 calc R . . . .
C44 C -0.1332(2) -0.6630(5) -0.38322(12) 0.0461(12) Uani 1 1 d . . . . .
H44 H -0.092560 -0.663902 -0.378226 0.055 Uiso 1 1 calc R . . . .
C45 C -0.2423(3) -0.6884(6) -0.42958(14) 0.0600(15) Uani 1 1 d . . . . .
C46 C 0.2460(2) -0.8928(5) 0.00025(12) 0.0495(13) Uani 1 1 d . . . . .
H46 H 0.219727 -0.961090 -0.017659 0.059 Uiso 1 1 calc R . . . .
C47 C 0.2911(2) -0.9385(5) 0.03686(12) 0.0483(12) Uani 1 1 d . . . . .
H47 H 0.294645 -1.037289 0.042816 0.058 Uiso 1 1 calc R . . . .
C48 C -0.1809(3) -0.6887(5) -0.42027(13) 0.0525(13) Uani 1 1 d . . . . .
H48 H -0.171495 -0.706862 -0.439732 0.063 Uiso 0.5 1 calc R . P A 2
C49 C -0.2064(2) -0.6349(6) -0.36206(14) 0.0581(14) Uani 1 1 d . . . . .
H49 H -0.215827 -0.617581 -0.342568 0.070 Uiso 1 1 calc R . . . .
C50 C -0.2533(2) -0.6594(7) -0.39963(15) 0.0678(16) Uani 1 1 d . . . . .
H50 H -0.294067 -0.656275 -0.404892 0.081 Uiso 0.5 1 calc R . P B 1
C51 C 0.3954(2) -0.7460(7) -0.1634(2) 0.080(2) Uani 1 1 d . . . . .
H51 H 0.429896 -0.685948 -0.150978 0.096 Uiso 1 1 calc R . . . .
C52 C 0.3410(2) -0.6998(7) -0.1658(2) 0.082(2) Uani 1 1 d . . . . .
H52 H 0.340475 -0.610143 -0.155049 0.099 Uiso 1 1 calc R . . . .
C54 C -0.2944(3) -0.7133(8) -0.47082(17) 0.0756(18) Uani 1 1 d . . . . .
C56 C 0.2956(3) -0.9132(8) -0.1942(3) 0.111(3) Uani 1 1 d . U . . .
H56 H 0.262895 -0.978812 -0.203214 0.134 Uiso 1 1 calc R . . . .
C57 C 0.3502(3) -0.9544(8) -0.1925(3) 0.114(3) Uani 1 1 d . U . . .
N1 N 0.4790(2) -0.3573(5) -0.17468(15) 0.0717(14) Uani 1 1 d . . . . .
H1A H 0.493084 -0.278262 -0.180734 0.086 Uiso 1 1 calc R . . . .
H1B H 0.478404 -0.338271 -0.152963 0.086 Uiso 1 1 calc R . . . .
C53 C 0.5221(3) -0.4790(6) -0.1674(2) 0.0714(17) Uani 1 1 d . . . . .
H53A H 0.521990 -0.502702 -0.190941 0.107 Uiso 1 1 calc GR . . . .
H53B H 0.509256 -0.562585 -0.158712 0.107 Uiso 1 1 calc GR . . . .
H53C H 0.563019 -0.450985 -0.147957 0.107 Uiso 1 1 calc GR . . . .
C55 C 0.4136(3) -0.3867(8) -0.20672(19) 0.088(2) Uani 1 1 d . . . . .
H55A H 0.414131 -0.416117 -0.229688 0.133 Uiso 1 1 calc GR . . . .
H55B H 0.389344 -0.299674 -0.211957 0.133 Uiso 1 1 calc GR . . . .
H55C H 0.395871 -0.462973 -0.198865 0.133 Uiso 1 1 calc GR . . . .
O0AA O 0.38462(14) -1.2518(3) 0.17116(9) 0.0461(8) Uani 1 1 d . . . . .
N2 N 0.3483(6) -1.4544(12) 0.1865(4) 0.043(3) Uani 0.489(8) 1 d D . P . .
N5 N 0.3195(5) -1.4419(12) 0.1455(3) 0.054(3) Uani 0.511(8) 1 d D . P . .
C0AA C 0.3439(4) -1.3124(10) 0.1432(3) 0.045(3) Uani 0.511(8) 1 d . . P . .
C1AA C 0.3751(4) -1.3249(11) 0.1950(3) 0.046(3) Uani 0.489(8) 1 d . . P . .
C3AA C 0.3427(6) -1.5356(13) 0.2151(4) 0.069(4) Uani 0.489(8) 1 d D . P . .
H3AA H 0.341516 -1.568728 0.236755 0.083 Uiso 0.489(8) 1 calc R . P . .
C2AA C 0.2690(7) -1.5073(15) 0.1127(4) 0.101(6) Uani 0.511(8) 1 d D . P . .
H2AA H 0.271385 -1.523776 0.089423 0.121 Uiso 0.511(8) 1 calc R . P . .
H2AB H 0.228364 -1.508255 0.110326 0.121 Uiso 0.511(8) 1 calc R . P . .
O1AA O -0.0957(3) -0.9136(7) -0.1928(2) 0.137(2) Uani 1 1 d . . . . .
N0AA N -0.1863(4) -0.8083(8) -0.2086(3) 0.127(3) Uani 1 1 d . . . . .
C4AA C -0.1320(4) -0.8666(8) -0.1829(3) 0.111(3) Uani 1 1 d . . . . .
H4AA H -0.121347 -0.871660 -0.156950 0.133 Uiso 1 1 calc R . . . .
C6AA C -0.2242(5) -0.7429(11) -0.1941(4) 0.193(6) Uani 1 1 d . . . . .
H6AA H -0.205546 -0.760760 -0.166804 0.290 Uiso 1 1 calc GR . . . .
H6AB H -0.264822 -0.785251 -0.207243 0.290 Uiso 1 1 calc GR . . . .
H6AC H -0.227278 -0.639728 -0.198742 0.290 Uiso 1 1 calc GR . . . .
C5AA C -0.2082(6) -0.8097(18) -0.2497(5) 0.251(9) Uani 1 1 d . . . . .
H5AA H -0.184201 -0.877642 -0.255086 0.376 Uiso 1 1 calc GR . . . .
H5AB H -0.204082 -0.713961 -0.257880 0.376 Uiso 1 1 calc GR . . . .
H5AC H -0.250879 -0.838358 -0.263396 0.376 Uiso 1 1 calc GR . . . .
C7AA C 0.3228(12) -1.525(3) 0.1498(6) 0.111(9) Uani 0.489(8) 1 d D . P . .
C8AA C 0.3407(9) -1.520(2) 0.1822(6) 0.072(6) Uani 0.511(8) 1 d . . P . .


_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
Eu1 O1 2.373(3) . ?
Eu1 O2 2.488(3) 3_635 ?
Eu1 O3 2.389(3) 2_655 ?
Eu1 O4 2.456(3) . ?
Eu1 O5 2.518(3) 3_545 ?
Eu1 O6 2.490(3) . ?
Eu1 O7 2.510(3) 3_635 ?
Eu1 O9 2.489(3) 3_545 ?
Eu1 C7 2.850(4) 3_635 ?
Eu1 C24 2.869(4) 3_545 ?
Eu1 C25 2.821(4) . ?
Eu1 O0AA 2.392(3) . ?
F1 C41 1.358(5) . ?
F2 C39 1.360(5) . ?
F3 C48 1.428(8) . ?
F4 C50 1.433(9) . ?
F5 C57 1.349(9) . ?
O1 C18 1.234(5) . ?
O2 C7 1.241(5) . ?
O3 C18 1.230(5) . ?
O4 C25 1.256(5) . ?
O5 C24 1.238(5) . ?
O6 C25 1.252(5) . ?
O7 C7 1.251(5) . ?
O8 C54 1.241(8) . ?
O9 C24 1.242(5) . ?
O10 C54 1.241(8) . ?
C1 C2 1.480(5) . ?
C1 C3 1.496(5) . ?
C1 C9 1.359(5) . ?
C2 C10 1.407(5) . ?
C2 C21 1.393(5) . ?
C3 C8 1.393(5) . ?
C3 C38 1.384(5) . ?
C4 C9 1.482(5) . ?
C4 C20 1.377(5) . ?
C4 C27 1.403(5) . ?
C5 C9 1.491(5) . ?
C5 C11 1.391(5) . ?
C5 C36 1.393(6) . ?
C6 C16 1.377(6) . ?
C6 C17 1.497(5) . ?
C6 C32 1.392(6) . ?
C7 C33 1.500(6) . ?
C8 H8 0.9300 . ?
C8 C29 1.385(5) . ?
C10 H10 0.9300 . ?
C10 C16 1.398(5) . ?
C11 H11 0.9300 . ?
C11 C22 1.383(5) . ?
C12 C13 1.493(5) . ?
C12 C19 1.400(6) . ?
C12 C28 1.382(6) . ?
C13 C40 1.392(6) . ?
C13 C46 1.379(6) . ?
C14 C23 1.488(5) . ?
C14 C35 1.391(6) . ?
C14 C43 1.393(5) . ?
C15 C29 1.371(6) . ?
C15 C31 1.399(6) . ?
C15 C42 1.492(5) . ?
C16 H16 0.9300 . ?
C17 C44 1.378(6) . ?
C17 C49 1.394(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.372(5) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C32 1.375(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.397(5) . ?
C23 C34 1.383(6) . ?
C24 C26 1.509(5) . ?
C25 C37 1.493(5) . ?
C26 C30 1.387(6) . ?
C26 C39 1.365(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.380(6) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C30 C43 1.374(5) . ?
C31 H31 0.9300 . ?
C31 C38 1.378(6) . ?
C32 H32 0.9300 . ?
C33 C51 1.337(7) . ?
C33 C57 1.338(8) . ?
C34 H34 0.9300 . ?
C34 C36 1.378(6) . ?
C35 H35 0.9300 . ?
C35 C39 1.376(6) . ?
C36 H36 0.9300 . ?
C37 C41 1.380(6) . ?
C37 C47 1.368(6) . ?
C38 H38 0.9300 . ?
C40 H40 0.9300 . ?
C40 C41 1.386(6) . ?
C42 C52 1.330(7) . ?
C42 C56 1.355(8) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C44 C48 1.378(6) . ?
C45 C48 1.385(8) . ?
C45 C50 1.378(8) . ?
C45 C54 1.521(7) . ?
C46 H46 0.9300 . ?
C46 C47 1.390(6) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C49 C50 1.384(6) . ?
C50 H50 0.9300 . ?
C51 H51 0.9300 . ?
C51 C52 1.379(7) . ?
C52 H52 0.9300 . ?
C56 H56 0.9300 . ?
C56 C57 1.382(8) . ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
N1 C53 1.475(7) . ?
N1 C55 1.512(7) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
O0AA C0AA 1.206(10) . ?
O0AA C1AA 1.276(10) . ?
N2 N5 1.425(16) . ?
N2 C1AA 1.322(14) . ?
N2 C3AA 1.423(13) . ?
N2 C7AA 1.429(16) . ?
N2 C8AA 0.626(16) . ?
N5 C0AA 1.359(14) . ?
N5 C2AA 1.419(14) . ?
N5 C7AA 0.78(2) . ?
N5 C8AA 1.47(2) . ?
C0AA C1AA 1.809(14) . ?
C1AA C8AA 1.937(19) . ?
C3AA H3AA 0.9300 . ?
C3AA C8AA 1.29(2) . ?
C2AA H2AA 0.9700 . ?
C2AA H2AB 0.9700 . ?
C2AA C7AA 1.43(3) . ?
O1AA C4AA 1.232(9) . ?
N0AA C4AA 1.337(11) . ?
N0AA C6AA 1.462(12) . ?
N0AA C5AA 1.443(15) . ?
C4AA H4AA 0.9300 . ?
C6AA H6AA 0.9600 . ?
C6AA H6AB 0.9600 . ?
C6AA H6AC 0.9600 . ?
C5AA H5AA 0.9600 . ?
C5AA H5AB 0.9600 . ?
C5AA H5AC 0.9600 . ?
C7AA C8AA 1.14(3) . ?

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 Eu1 O2 78.00(10) . 3_635 ?
O1 Eu1 O3 82.38(10) . 2_655 ?
O1 Eu1 O4 148.53(10) . . ?
O1 Eu1 O5 79.52(10) . 3_545 ?
O1 Eu1 O6 151.56(11) . . ?
O1 Eu1 O7 83.03(11) . 3_635 ?
O1 Eu1 O9 127.70(11) . 3_545 ?
O1 Eu1 C7 78.39(10) . 3_635 ?
O1 Eu1 C24 104.46(11) . 3_545 ?
O1 Eu1 C25 168.64(11) . . ?
O1 Eu1 O0AA 77.64(11) . . ?
O2 Eu1 O5 149.73(11) 3_635 3_545 ?
O2 Eu1 O6 103.49(12) 3_635 . ?
O2 Eu1 O7 51.72(10) 3_635 3_635 ?
O2 Eu1 O9 137.56(13) 3_635 3_545 ?
O2 Eu1 C7 25.75(11) 3_635 3_635 ?
O2 Eu1 C24 154.71(11) 3_635 3_545 ?
O2 Eu1 C25 91.89(12) 3_635 . ?
O3 Eu1 O2 121.79(10) 2_655 3_635 ?
O3 Eu1 O4 124.74(10) 2_655 . ?
O3 Eu1 O5 74.48(11) 2_655 3_545 ?
O3 Eu1 O6 72.69(10) 2_655 . ?
O3 Eu1 O7 71.93(11) 2_655 3_635 ?
O3 Eu1 O9 97.02(15) 2_655 3_545 ?
O3 Eu1 C7 96.76(12) 2_655 3_635 ?
O3 Eu1 C24 83.28(11) 2_655 3_545 ?
O3 Eu1 C25 98.91(12) 2_655 . ?
O3 Eu1 O0AA 149.52(10) 2_655 . ?
O4 Eu1 O2 73.91(10) . 3_635 ?
O4 Eu1 O5 120.12(10) . 3_545 ?
O4 Eu1 O6 52.16(11) . . ?
O4 Eu1 O7 90.46(12) . 3_635 ?
O4 Eu1 O9 69.69(11) . 3_545 ?
O4 Eu1 C7 82.36(11) . 3_635 ?
O4 Eu1 C24 95.24(11) . 3_545 ?
O4 Eu1 C25 26.40(11) . . ?
O5 Eu1 C7 157.14(11) 3_545 3_635 ?
O5 Eu1 C24 25.52(10) 3_545 3_545 ?
O5 Eu1 C25 111.75(11) 3_545 . ?
O6 Eu1 O5 105.95(12) . 3_545 ?
O6 Eu1 O7 76.49(12) . 3_635 ?
O6 Eu1 C7 90.95(13) . 3_635 ?
O6 Eu1 C24 86.31(13) . 3_545 ?
O6 Eu1 C25 26.33(12) . . ?
O7 Eu1 O5 143.79(12) 3_635 3_545 ?
O7 Eu1 C7 26.01(11) 3_635 3_635 ?
O7 Eu1 C24 153.04(12) 3_635 3_545 ?
O7 Eu1 C25 86.64(12) 3_635 . ?
O9 Eu1 O5 50.89(11) 3_545 3_545 ?
O9 Eu1 O6 70.12(14) 3_545 . ?
O9 Eu1 O7 146.61(14) 3_545 3_635 ?
O9 Eu1 C7 151.93(11) 3_545 3_635 ?
O9 Eu1 C24 25.57(11) 3_545 3_545 ?
O9 Eu1 C25 63.49(12) 3_545 . ?
C7 Eu1 C24 177.11(11) 3_635 3_545 ?
C25 Eu1 C7 90.25(12) . 3_635 ?
C25 Eu1 C24 86.89(12) . 3_545 ?
O0AA Eu1 O2 76.21(10) . 3_635 ?
O0AA Eu1 O4 82.11(11) . . ?
O0AA Eu1 O5 79.39(11) . 3_545 ?
O0AA Eu1 O6 130.63(11) . . ?
O0AA Eu1 O7 127.19(10) . 3_635 ?
O0AA Eu1 O9 77.88(15) . 3_545 ?
O0AA Eu1 C7 101.44(12) . 3_635 ?
O0AA Eu1 C24 79.75(11) . 3_545 ?
O0AA Eu1 C25 105.20(12) . . ?
C18 O1 Eu1 137.1(3) . . ?
C7 O2 Eu1 93.6(2) . 3_635 ?
C18 O3 Eu1 141.9(3) . 2_645 ?
C25 O4 Eu1 93.2(2) . . ?
C24 O5 Eu1 93.3(2) . 3_545 ?
C25 O6 Eu1 91.8(3) . . ?
C7 O7 Eu1 92.3(3) . 3_635 ?
C24 O9 Eu1 94.6(3) . 3_545 ?
C2 C1 C3 115.0(3) . . ?
C9 C1 C2 123.7(3) . . ?
C9 C1 C3 121.2(3) . . ?
C10 C2 C1 121.2(3) . . ?
C21 C2 C1 120.4(3) . . ?
C21 C2 C10 118.0(3) . . ?
C8 C3 C1 119.8(3) . . ?
C38 C3 C1 122.2(4) . . ?
C38 C3 C8 118.0(3) . . ?
C20 C4 C9 121.8(3) . . ?
C20 C4 C27 117.4(3) . . ?
C27 C4 C9 120.7(3) . . ?
C11 C5 C9 120.3(3) . . ?
C11 C5 C36 118.0(3) . . ?
C36 C5 C9 121.6(3) . . ?
C16 C6 C17 121.5(4) . . ?
C16 C6 C32 118.4(4) . . ?
C32 C6 C17 120.0(4) . . ?
O2 C7 Eu1 60.6(2) . 3_635 ?
O2 C7 O7 122.1(4) . . ?
O2 C7 C33 117.9(4) . . ?
O7 C7 Eu1 61.6(2) . 3_635 ?
O7 C7 C33 120.0(4) . . ?
C33 C7 Eu1 175.1(3) . 3_635 ?
C3 C8 H8 119.7 . . ?
C29 C8 C3 120.5(4) . . ?
C29 C8 H8 119.7 . . ?
C1 C9 C4 122.2(3) . . ?
C1 C9 C5 121.6(3) . . ?
C4 C9 C5 116.2(3) . . ?
C2 C10 H10 119.9 . . ?
C16 C10 C2 120.1(4) . . ?
C16 C10 H10 119.9 . . ?
C5 C11 H11 119.6 . . ?
C22 C11 C5 120.9(4) . . ?
C22 C11 H11 119.6 . . ?
C19 C12 C13 119.7(4) . . ?
C28 C12 C13 122.3(4) . . ?
C28 C12 C19 118.0(3) . . ?
C40 C13 C12 120.8(4) . . ?
C46 C13 C12 120.6(4) . . ?
C46 C13 C40 118.6(4) . . ?
C35 C14 C23 121.3(3) . . ?
C35 C14 C43 117.7(4) . . ?
C43 C14 C23 120.9(4) . . ?
C29 C15 C31 117.6(4) . . ?
C29 C15 C42 121.1(4) . . ?
C31 C15 C42 121.3(4) . . ?
C6 C16 C10 121.1(4) . . ?
C6 C16 H16 119.4 . . ?
C10 C16 H16 119.4 . . ?
C44 C17 C6 121.4(4) . . ?
C44 C17 C49 118.2(4) . . ?
C49 C17 C6 120.4(4) . . ?
O3 C18 O1 126.1(4) . . ?
C12 C19 H19 119.9 . . ?
C20 C19 C12 120.2(4) . . ?
C20 C19 H19 119.9 . . ?
C4 C20 H20 118.8 . . ?
C19 C20 C4 122.4(4) . . ?
C19 C20 H20 118.8 . . ?
C2 C21 H21 119.5 . . ?
C32 C21 C2 120.9(4) . . ?
C32 C21 H21 119.5 . . ?
C11 C22 H22 119.6 . . ?
C11 C22 C23 120.7(4) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C14 120.4(4) . . ?
C34 C23 C14 121.4(4) . . ?
C34 C23 C22 118.2(4) . . ?
O5 C24 Eu1 61.2(2) . 3_545 ?
O5 C24 O9 120.3(4) . . ?
O5 C24 C26 121.5(4) . . ?
O9 C24 Eu1 59.8(2) . 3_545 ?
O9 C24 C26 118.2(4) . . ?
C26 C24 Eu1 170.0(3) . 3_545 ?
O4 C25 Eu1 60.4(2) . . ?
O4 C25 C37 118.2(4) . . ?
O6 C25 Eu1 61.9(2) . . ?
O6 C25 O4 120.2(4) . . ?
O6 C25 C37 121.5(4) . . ?
C37 C25 Eu1 163.2(3) . . ?
C30 C26 C24 119.5(4) . . ?
C39 C26 C24 123.6(4) . . ?
C39 C26 C30 116.7(4) . . ?
C4 C27 H27 119.7 . . ?
C28 C27 C4 120.6(4) . . ?
C28 C27 H27 119.7 . . ?
C12 C28 H28 119.3 . . ?
C27 C28 C12 121.4(4) . . ?
C27 C28 H28 119.3 . . ?
C8 C29 H29 119.1 . . ?
C15 C29 C8 121.7(4) . . ?
C15 C29 H29 119.1 . . ?
C26 C30 H30 119.1 . . ?
C43 C30 C26 121.8(4) . . ?
C43 C30 H30 119.1 . . ?
C15 C31 H31 119.4 . . ?
C38 C31 C15 121.1(4) . . ?
C38 C31 H31 119.4 . . ?
C6 C32 H32 119.3 . . ?
C21 C32 C6 121.4(4) . . ?
C21 C32 H32 119.3 . . ?
C51 C33 C7 122.1(4) . . ?
C51 C33 C57 112.8(5) . . ?
C57 C33 C7 125.1(5) . . ?
C23 C34 H34 119.4 . . ?
C36 C34 C23 121.2(4) . . ?
C36 C34 H34 119.4 . . ?
C14 C35 H35 120.1 . . ?
C39 C35 C14 119.8(4) . . ?
C39 C35 H35 120.1 . . ?
C5 C36 H36 119.5 . . ?
C34 C36 C5 121.0(4) . . ?
C34 C36 H36 119.5 . . ?
C41 C37 C25 124.5(4) . . ?
C47 C37 C25 118.9(4) . . ?
C47 C37 C41 116.5(4) . . ?
C3 C38 H38 119.5 . . ?
C31 C38 C3 121.0(4) . . ?
C31 C38 H38 119.5 . . ?
F2 C39 C26 120.7(4) . . ?
F2 C39 C35 115.9(4) . . ?
C26 C39 C35 123.2(4) . . ?
C13 C40 H40 120.6 . . ?
C41 C40 C13 118.7(4) . . ?
C41 C40 H40 120.6 . . ?
F1 C41 C37 120.6(4) . . ?
F1 C41 C40 115.9(4) . . ?
C37 C41 C40 123.5(4) . . ?
C52 C42 C15 123.9(4) . . ?
C52 C42 C56 114.8(5) . . ?
C56 C42 C15 121.1(4) . . ?
C14 C43 H43 119.6 . . ?
C30 C43 C14 120.7(4) . . ?
C30 C43 H43 119.6 . . ?
C17 C44 H44 119.7 . . ?
C17 C44 C48 120.7(5) . . ?
C48 C44 H44 119.7 . . ?
C48 C45 C54 121.7(5) . . ?
C50 C45 C48 116.1(4) . . ?
C50 C45 C54 122.1(6) . . ?
C13 C46 H46 119.6 . . ?
C13 C46 C47 120.8(4) . . ?
C47 C46 H46 119.6 . . ?
C37 C47 C46 121.9(4) . . ?
C37 C47 H47 119.1 . . ?
C46 C47 H47 119.1 . . ?
C44 C48 F3 111.8(5) . . ?
C44 C48 C45 122.4(5) . . ?
C44 C48 H48 118.8 . . ?
C45 C48 F3 125.5(5) . . ?
C45 C48 H48 118.8 . . ?
C17 C49 H49 120.1 . . ?
C50 C49 C17 119.8(5) . . ?
C50 C49 H49 120.1 . . ?
C45 C50 F4 124.6(5) . . ?
C45 C50 C49 122.8(5) . . ?
C45 C50 H50 118.6 . . ?
C49 C50 F4 112.6(6) . . ?
C49 C50 H50 118.6 . . ?
C33 C51 H51 118.2 . . ?
C33 C51 C52 123.7(5) . . ?
C52 C51 H51 118.2 . . ?
C42 C52 C51 122.7(5) . . ?
C42 C52 H52 118.6 . . ?
C51 C52 H52 118.7 . . ?
O8 C54 C45 118.3(6) . . ?
O10 C54 O8 124.9(6) . . ?
O10 C54 C45 116.8(6) . . ?
C42 C56 H56 119.7 . . ?
C42 C56 C57 120.7(6) . . ?
C57 C56 H56 119.7 . . ?
F5 C57 C56 113.8(7) . . ?
C33 C57 F5 120.7(5) . . ?
C33 C57 C56 124.8(6) . . ?
H1A N1 H1B 107.7 . . ?
C53 N1 H1A 108.8 . . ?
C53 N1 H1B 108.8 . . ?
C53 N1 C55 113.9(5) . . ?
C55 N1 H1A 108.8 . . ?
C55 N1 H1B 108.8 . . ?
N1 C53 H53A 109.5 . . ?
N1 C53 H53B 109.5 . . ?
N1 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N1 C55 H55A 109.5 . . ?
N1 C55 H55B 109.5 . . ?
N1 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C0AA O0AA Eu1 131.6(5) . . ?
C0AA O0AA C1AA 93.5(7) . . ?
C1AA O0AA Eu1 129.1(5) . . ?
N5 N2 C7AA 31.7(10) . . ?
C1AA N2 N5 96.9(10) . . ?
C1AA N2 C3AA 120.5(11) . . ?
C1AA N2 C7AA 125.4(13) . . ?
C3AA N2 N5 139.8(11) . . ?
C3AA N2 C7AA 114.1(15) . . ?
C8AA N2 N5 81(3) . . ?
C8AA N2 C1AA 167(3) . . ?
C8AA N2 C3AA 65(3) . . ?
C8AA N2 C7AA 50(2) . . ?
N2 N5 C8AA 24.9(7) . . ?
C0AA N5 N2 99.3(10) . . ?
C0AA N5 C2AA 121.9(11) . . ?
C0AA N5 C8AA 122.8(12) . . ?
C2AA N5 N2 137.0(12) . . ?
C2AA N5 C8AA 115.2(13) . . ?
C7AA N5 N2 74.5(16) . . ?
C7AA N5 C0AA 150(3) . . ?
C7AA N5 C2AA 75(2) . . ?
C7AA N5 C8AA 50.1(16) . . ?
O0AA C0AA N5 122.6(9) . . ?
O0AA C0AA C1AA 44.7(5) . . ?
N5 C0AA C1AA 79.6(7) . . ?
O0AA C1AA N2 122.8(9) . . ?
O0AA C1AA C0AA 41.7(4) . . ?
O0AA C1AA C8AA 120.8(9) . . ?
N2 C1AA C0AA 83.8(8) . . ?
N2 C1AA C8AA 4.1(11) . . ?
C0AA C1AA C8AA 82.9(8) . . ?
N2 C3AA H3AA 167.0 . . ?
C8AA C3AA N2 26.1(7) . . ?
C8AA C3AA H3AA 167.0 . . ?
N5 C2AA H2AA 119.8 . . ?
N5 C2AA H2AB 119.8 . . ?
N5 C2AA C7AA 31.8(8) . . ?
H2AA C2AA H2AB 117.7 . . ?
C7AA C2AA H2AA 119.8 . . ?
C7AA C2AA H2AB 119.8 . . ?
C4AA N0AA C6AA 118.0(11) . . ?
C4AA N0AA C5AA 122.2(9) . . ?
C5AA N0AA C6AA 119.8(10) . . ?
O1AA C4AA N0AA 121.2(10) . . ?
O1AA C4AA H4AA 119.4 . . ?
N0AA C4AA H4AA 119.4 . . ?
N0AA C6AA H6AA 109.5 . . ?
N0AA C6AA H6AB 109.5 . . ?
N0AA C6AA H6AC 109.5 . . ?
H6AA C6AA H6AB 109.5 . . ?
H6AA C6AA H6AC 109.5 . . ?
H6AB C6AA H6AC 109.5 . . ?
N0AA C5AA H5AA 109.5 . . ?
N0AA C5AA H5AB 109.5 . . ?
N0AA C5AA H5AC 109.5 . . ?
H5AA C5AA H5AB 109.5 . . ?
H5AA C5AA H5AC 109.5 . . ?
H5AB C5AA H5AC 109.5 . . ?
N5 C7AA N2 73.8(16) . . ?
N5 C7AA C2AA 74(3) . . ?
N5 C7AA C8AA 98(2) . . ?
C2AA C7AA N2 136(2) . . ?
C8AA C7AA N2 25.1(9) . . ?
C8AA C7AA C2AA 144(3) . . ?
N2 C8AA N5 74(2) . . ?
N2 C8AA C1AA 9(2) . . ?
N2 C8AA C3AA 89(3) . . ?
N2 C8AA C7AA 104(3) . . ?
N5 C8AA C1AA 72.9(9) . . ?
C3AA C8AA N5 151(2) . . ?
C3AA C8AA C1AA 92.9(13) . . ?
C7AA C8AA N5 31.7(13) . . ?
C7AA C8AA C1AA 102.2(16) . . ?
C7AA C8AA C3AA 160(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C18 O3 -153.1(3) . . . . ?
Eu1 O2 C7 O7 4.5(4) 3_635 . . . ?
Eu1 O2 C7 C33 -174.6(3) 3_635 . . . ?
Eu1 O3 C18 O1 169.7(3) 2_645 . . . ?
Eu1 O4 C25 O6 16.7(4) . . . . ?
Eu1 O4 C25 C37 -160.8(3) . . . . ?
Eu1 O5 C24 O9 -9.9(5) 3_545 . . . ?
Eu1 O5 C24 C26 168.9(4) 3_545 . . . ?
Eu1 O6 C25 O4 -16.4(4) . . . . ?
Eu1 O6 C25 C37 161.0(4) . . . . ?
Eu1 O7 C7 O2 -4.5(4) 3_635 . . . ?
Eu1 O7 C7 C33 174.7(3) 3_635 . . . ?
Eu1 O9 C24 O5 10.0(5) 3_545 . . . ?
Eu1 O9 C24 C26 -168.8(3) 3_545 . . . ?
Eu1 C25 C37 C41 106.7(11) . . . . ?
Eu1 C25 C37 C47 -70.5(13) . . . . ?
Eu1 O0AA C0AA N5 -172.3(7) . . . . ?
Eu1 O0AA C0AA C1AA -154.3(7) . . . . ?
Eu1 O0AA C1AA N2 178.9(8) . . . . ?
Eu1 O0AA C1AA C0AA 155.3(7) . . . . ?
Eu1 O0AA C1AA C8AA -176.9(8) . . . . ?
O2 C7 C33 C51 -11.8(7) . . . . ?
O2 C7 C33 C57 170.6(7) . . . . ?
O4 C25 C37 C41 -172.7(5) . . . . ?
O4 C25 C37 C47 10.1(6) . . . . ?
O5 C24 C26 C30 -166.6(4) . . . . ?
O5 C24 C26 C39 8.5(7) . . . . ?
O6 C25 C37 C41 9.9(7) . . . . ?
O6 C25 C37 C47 -167.3(5) . . . . ?
O7 C7 C33 C51 169.0(5) . . . . ?
O7 C7 C33 C57 -8.6(9) . . . . ?
O9 C24 C26 C30 12.2(7) . . . . ?
O9 C24 C26 C39 -172.7(5) . . . . ?
C1 C2 C10 C16 173.6(4) . . . . ?
C1 C2 C21 C32 -173.7(4) . . . . ?
C1 C3 C8 C29 -178.4(4) . . . . ?
C1 C3 C38 C31 179.5(4) . . . . ?
C2 C1 C3 C8 -49.1(5) . . . . ?
C2 C1 C3 C38 129.9(4) . . . . ?
C2 C1 C9 C4 162.3(4) . . . . ?
C2 C1 C9 C5 -17.6(6) . . . . ?
C2 C10 C16 C6 -0.5(6) . . . . ?
C2 C21 C32 C6 0.8(6) . . . . ?
C3 C1 C2 C10 -41.2(5) . . . . ?
C3 C1 C2 C21 131.7(4) . . . . ?
C3 C1 C9 C4 -14.0(6) . . . . ?
C3 C1 C9 C5 166.1(4) . . . . ?
C3 C8 C29 C15 -1.0(6) . . . . ?
C4 C27 C28 C12 -1.4(7) . . . . ?
C5 C11 C22 C23 -0.8(6) . . . . ?
C6 C17 C44 C48 176.6(4) . . . . ?
C6 C17 C49 C50 -177.4(5) . . . . ?
C7 C33 C51 C52 177.4(6) . . . . ?
C7 C33 C57 F5 10.4(14) . . . . ?
C7 C33 C57 C56 -179.7(8) . . . . ?
C8 C3 C38 C31 -1.5(6) . . . . ?
C9 C1 C2 C10 142.3(4) . . . . ?
C9 C1 C2 C21 -44.8(6) . . . . ?
C9 C1 C3 C8 127.5(4) . . . . ?
C9 C1 C3 C38 -53.5(6) . . . . ?
C9 C4 C20 C19 -179.0(4) . . . . ?
C9 C4 C27 C28 179.5(4) . . . . ?
C9 C5 C11 C22 -178.2(4) . . . . ?
C9 C5 C36 C34 178.7(4) . . . . ?
C10 C2 C21 C32 -0.6(6) . . . . ?
C11 C5 C9 C1 -47.5(6) . . . . ?
C11 C5 C9 C4 132.6(4) . . . . ?
C11 C5 C36 C34 0.7(6) . . . . ?
C11 C22 C23 C14 -179.8(4) . . . . ?
C11 C22 C23 C34 1.2(6) . . . . ?
C12 C13 C40 C41 -179.4(5) . . . . ?
C12 C13 C46 C47 179.4(5) . . . . ?
C12 C19 C20 C4 0.3(7) . . . . ?
C13 C12 C19 C20 179.4(4) . . . . ?
C13 C12 C28 C27 -178.8(4) . . . . ?
C13 C40 C41 F1 178.6(5) . . . . ?
C13 C40 C41 C37 -0.6(8) . . . . ?
C13 C46 C47 C37 0.7(8) . . . . ?
C14 C23 C34 C36 -179.6(4) . . . . ?
C14 C35 C39 F2 178.0(5) . . . . ?
C14 C35 C39 C26 1.8(8) . . . . ?
C15 C31 C38 C3 -1.1(7) . . . . ?
C15 C42 C52 C51 -179.2(6) . . . . ?
C15 C42 C56 C57 177.1(8) . . . . ?
C16 C6 C17 C44 34.8(7) . . . . ?
C16 C6 C17 C49 -148.3(5) . . . . ?
C16 C6 C32 C21 -0.8(6) . . . . ?
C17 C6 C16 C10 -176.5(4) . . . . ?
C17 C6 C32 C21 176.5(4) . . . . ?
C17 C44 C48 F3 174.8(5) . . . . ?
C17 C44 C48 C45 0.2(8) . . . . ?
C17 C49 C50 F4 -177.6(7) . . . . ?
C17 C49 C50 C45 1.2(9) . . . . ?
C19 C12 C13 C40 148.4(5) . . . . ?
C19 C12 C13 C46 -32.3(7) . . . . ?
C19 C12 C28 C27 0.3(7) . . . . ?
C20 C4 C9 C1 -42.0(6) . . . . ?
C20 C4 C9 C5 138.0(4) . . . . ?
C20 C4 C27 C28 1.8(7) . . . . ?
C21 C2 C10 C16 0.5(6) . . . . ?
C22 C23 C34 C36 -0.7(7) . . . . ?
C23 C14 C35 C39 179.0(4) . . . . ?
C23 C14 C43 C30 179.1(4) . . . . ?
C23 C34 C36 C5 -0.3(7) . . . . ?
C24 C26 C30 C43 174.1(4) . . . . ?
C24 C26 C39 F2 8.2(7) . . . . ?
C24 C26 C39 C35 -175.8(4) . . . . ?
C25 C37 C41 F1 3.5(8) . . . . ?
C25 C37 C41 C40 -177.3(5) . . . . ?
C25 C37 C47 C46 177.4(5) . . . . ?
C26 C30 C43 C14 2.1(7) . . . . ?
C27 C4 C9 C1 140.5(4) . . . . ?
C27 C4 C9 C5 -39.6(5) . . . . ?
C27 C4 C20 C19 -1.4(6) . . . . ?
C28 C12 C13 C40 -32.4(7) . . . . ?
C28 C12 C13 C46 146.9(5) . . . . ?
C28 C12 C19 C20 0.2(7) . . . . ?
C29 C15 C31 C38 2.7(7) . . . . ?
C29 C15 C42 C52 172.3(5) . . . . ?
C29 C15 C42 C56 -13.4(8) . . . . ?
C30 C26 C39 F2 -176.5(5) . . . . ?
C30 C26 C39 C35 -0.6(7) . . . . ?
C31 C15 C29 C8 -1.6(6) . . . . ?
C31 C15 C42 C52 -5.7(7) . . . . ?
C31 C15 C42 C56 168.6(6) . . . . ?
C32 C6 C16 C10 0.6(6) . . . . ?
C32 C6 C17 C44 -142.4(5) . . . . ?
C32 C6 C17 C49 34.6(7) . . . . ?
C33 C51 C52 C42 0.5(12) . . . . ?
C35 C14 C23 C22 37.5(6) . . . . ?
C35 C14 C23 C34 -143.5(5) . . . . ?
C35 C14 C43 C30 -0.8(7) . . . . ?
C36 C5 C9 C1 134.6(4) . . . . ?
C36 C5 C9 C4 -45.4(5) . . . . ?
C36 C5 C11 C22 -0.2(6) . . . . ?
C38 C3 C8 C29 2.5(6) . . . . ?
C39 C26 C30 C43 -1.4(7) . . . . ?
C40 C13 C46 C47 -1.3(8) . . . . ?
C41 C37 C47 C46 0.0(8) . . . . ?
C42 C15 C29 C8 -179.7(4) . . . . ?
C42 C15 C31 C38 -179.3(4) . . . . ?
C42 C56 C57 F5 174.5(9) . . . . ?
C42 C56 C57 C33 4.0(16) . . . . ?
C43 C14 C23 C22 -142.4(4) . . . . ?
C43 C14 C23 C34 36.6(6) . . . . ?
C43 C14 C35 C39 -1.1(7) . . . . ?
C44 C17 C49 C50 -0.4(8) . . . . ?
C46 C13 C40 C41 1.2(7) . . . . ?
C47 C37 C41 F1 -179.2(5) . . . . ?
C47 C37 C41 C40 0.0(8) . . . . ?
C48 C45 C50 F4 177.3(7) . . . . ?
C48 C45 C50 C49 -1.3(9) . . . . ?
C48 C45 C54 O8 19.3(9) . . . . ?
C48 C45 C54 O10 -159.0(7) . . . . ?
C49 C17 C44 C48 -0.3(7) . . . . ?
C50 C45 C48 F3 -173.2(6) . . . . ?
C50 C45 C48 C44 0.6(8) . . . . ?
C50 C45 C54 O8 -162.9(6) . . . . ?
C50 C45 C54 O10 18.8(10) . . . . ?
C51 C33 C57 F5 -167.3(9) . . . . ?
C51 C33 C57 C56 2.6(13) . . . . ?
C52 C42 C56 C57 -8.1(12) . . . . ?
C54 C45 C48 F3 4.7(9) . . . . ?
C54 C45 C48 C44 178.5(5) . . . . ?
C54 C45 C50 F4 -0.6(11) . . . . ?
C54 C45 C50 C49 -179.2(6) . . . . ?
C56 C42 C52 C51 6.1(10) . . . . ?
C57 C33 C51 C52 -4.8(11) . . . . ?
O0AA C0AA C1AA N2 -160.2(10) . . . . ?
O0AA C0AA C1AA C8AA -156.2(9) . . . . ?
N2 N5 C0AA O0AA 8.6(13) . . . . ?
N2 N5 C0AA C1AA -4.1(8) . . . . ?
N2 N5 C2AA C7AA -45(2) . . . . ?
N2 N5 C7AA C2AA 149.8(13) . . . . ?
N2 N5 C7AA C8AA 6.1(19) . . . . ?
N2 N5 C8AA C1AA -9(2) . . . . ?
N2 N5 C8AA C3AA 54(3) . . . . ?
N2 N5 C8AA C7AA -166(4) . . . . ?
N2 C3AA C8AA N5 -51(3) . . . . ?
N2 C3AA C8AA C1AA 8(2) . . . . ?
N2 C3AA C8AA C7AA -131(10) . . . . ?
N2 C7AA C8AA N5 14(4) . . . . ?
N2 C7AA C8AA C1AA -9(2) . . . . ?
N2 C7AA C8AA C3AA 129(10) . . . . ?
N5 N2 C1AA O0AA -19.7(13) . . . . ?
N5 N2 C1AA C0AA -4.2(8) . . . . ?
N5 N2 C1AA C8AA -82(14) . . . . ?
N5 N2 C3AA C8AA 37(2) . . . . ?
N5 N2 C7AA C2AA -44(2) . . . . ?
N5 N2 C7AA C8AA -166(5) . . . . ?
N5 N2 C8AA C1AA 83(14) . . . . ?
N5 N2 C8AA C3AA -156.9(12) . . . . ?
N5 N2 C8AA C7AA 8(3) . . . . ?
N5 C0AA C1AA O0AA 164.7(9) . . . . ?
N5 C0AA C1AA N2 4.4(9) . . . . ?
N5 C0AA C1AA C8AA 8.5(9) . . . . ?
N5 C2AA C7AA N2 44(2) . . . . ?
N5 C2AA C7AA C8AA 81(4) . . . . ?
N5 C7AA C8AA N2 -14(4) . . . . ?
N5 C7AA C8AA C1AA -23(3) . . . . ?
N5 C7AA C8AA C3AA 115(7) . . . . ?
C0AA O0AA C1AA N2 23.6(12) . . . . ?
C0AA O0AA C1AA C8AA 27.8(11) . . . . ?
C0AA N5 C2AA C7AA 153(3) . . . . ?
C0AA N5 C7AA N2 81(4) . . . . ?
C0AA N5 C7AA C2AA -129(4) . . . . ?
C0AA N5 C7AA C8AA 88(5) . . . . ?
C0AA N5 C8AA N2 22(3) . . . . ?
C0AA N5 C8AA C1AA 12.7(14) . . . . ?
C0AA N5 C8AA C3AA 76(4) . . . . ?
C0AA N5 C8AA C7AA -144(3) . . . . ?
C1AA O0AA C0AA N5 -18.0(11) . . . . ?
C1AA N2 N5 C0AA 5.6(11) . . . . ?
C1AA N2 N5 C2AA -158.6(16) . . . . ?
C1AA N2 N5 C7AA 156(2) . . . . ?
C1AA N2 N5 C8AA 167(3) . . . . ?
C1AA N2 C3AA C8AA -167(4) . . . . ?
C1AA N2 C7AA N5 -30(3) . . . . ?
C1AA N2 C7AA C2AA -74(3) . . . . ?
C1AA N2 C7AA C8AA 165(4) . . . . ?
C1AA N2 C8AA N5 -83(14) . . . . ?
C1AA N2 C8AA C3AA 120(14) . . . . ?
C1AA N2 C8AA C7AA -76(15) . . . . ?
C3AA N2 N5 C0AA 164.9(16) . . . . ?
C3AA N2 N5 C2AA 1(3) . . . . ?
C3AA N2 N5 C7AA -45(3) . . . . ?
C3AA N2 N5 C8AA -34(2) . . . . ?
C3AA N2 C1AA O0AA 175.7(10) . . . . ?
C3AA N2 C1AA C0AA -168.8(12) . . . . ?
C3AA N2 C1AA C8AA 114(15) . . . . ?
C3AA N2 C7AA N5 150(2) . . . . ?
C3AA N2 C7AA C2AA 106(3) . . . . ?
C3AA N2 C7AA C8AA -15(3) . . . . ?
C3AA N2 C8AA N5 156.9(12) . . . . ?
C3AA N2 C8AA C1AA -120(14) . . . . ?
C3AA N2 C8AA C7AA 164(3) . . . . ?
C2AA N5 C0AA O0AA 176.0(12) . . . . ?
C2AA N5 C0AA C1AA 163.2(13) . . . . ?
C2AA N5 C7AA N2 -149.8(13) . . . . ?
C2AA N5 C7AA C8AA -144(2) . . . . ?
C2AA N5 C8AA N2 -155(3) . . . . ?
C2AA N5 C8AA C1AA -164.0(12) . . . . ?
C2AA N5 C8AA C3AA -101(4) . . . . ?
C2AA N5 C8AA C7AA 39(3) . . . . ?
C2AA C7AA C8AA N2 -87(5) . . . . ?
C2AA C7AA C8AA N5 -73(5) . . . . ?
C2AA C7AA C8AA C1AA -96(4) . . . . ?
C2AA C7AA C8AA C3AA 42(11) . . . . ?
C6AA N0AA C4AA O1AA -174.5(8) . . . . ?
C5AA N0AA C4AA O1AA 6.1(14) . . . . ?
C7AA N2 N5 C0AA -150(3) . . . . ?
C7AA N2 N5 C2AA 45(2) . . . . ?
C7AA N2 N5 C8AA 11(4) . . . . ?
C7AA N2 C1AA O0AA -5(2) . . . . ?
C7AA N2 C1AA C0AA 11.0(19) . . . . ?
C7AA N2 C1AA C8AA -67(14) . . . . ?
C7AA N2 C3AA C8AA 13(3) . . . . ?
C7AA N2 C8AA N5 -8(3) . . . . ?
C7AA N2 C8AA C1AA 76(15) . . . . ?
C7AA N2 C8AA C3AA -164(3) . . . . ?
C7AA N5 C0AA O0AA -66(5) . . . . ?
C7AA N5 C0AA C1AA -79(4) . . . . ?
C7AA N5 C8AA N2 166(4) . . . . ?
C7AA N5 C8AA C1AA 157(3) . . . . ?
C7AA N5 C8AA C3AA -140(4) . . . . ?
C8AA N2 N5 C0AA -162(3) . . . . ?
C8AA N2 N5 C2AA 34(4) . . . . ?
C8AA N2 N5 C7AA -11(4) . . . . ?
C8AA N2 C1AA O0AA 62(15) . . . . ?
C8AA N2 C1AA C0AA 78(14) . . . . ?
C8AA N2 C7AA N5 166(5) . . . . ?
C8AA N2 C7AA C2AA 122(4) . . . . ?
C8AA N5 C0AA O0AA -0.5(19) . . . . ?
C8AA N5 C0AA C1AA -13.3(14) . . . . ?
C8AA N5 C2AA C7AA -30(2) . . . . ?
C8AA N5 C7AA N2 -6.1(19) . . . . ?
C8AA N5 C7AA C2AA 144(2) . . . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.016 0.000 684 211 ' '
2 0.500 -0.018 0.000 697 193 ' '
3 0.500 -0.022 0.500 697 193 ' '
4 1.000 -0.025 0.500 684 211 ' '

_platon_squeeze_void_probe_radius 1.20
_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_Dy-MOF
_database_code_depnum_ccdc_archive 'CCDC 2385883'
loop_
_audit_author_name
_audit_author_address
'Yan ZHOU'
;Yunnan  University
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-12-20 downloaded from the CCDC.
;
_audit_creation_date             2024-09-05
_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         'C58 H36 Dy F4 N O11, C3 H7 N O, C2 H8 N'
_chemical_formula_sum            'C63 H52 Dy F4 N3 O12'
_chemical_formula_weight         1281.57
_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.9144(15)
_cell_length_b                   9.0765(6)
_cell_length_c                   39.7778(19)
_cell_angle_alpha                90
_cell_angle_beta                 120.096(3)
_cell_angle_gamma                90
_cell_volume                     7782.5(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9000
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      59
_cell_measurement_theta_min      5
_shelx_estimated_absorpt_T_max   0.905
_shelx_estimated_absorpt_T_min   0.862
_exptl_absorpt_coefficient_mu    1.018
_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            'light yellow'
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2596
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            54052
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.062
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11445
_reflns_number_total             13677
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         2.364
_refine_diff_density_min         -2.139
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     782
_refine_ls_number_reflns         13677
_refine_ls_number_restraints     100
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0663
_refine_ls_restrained_S_all      1.130
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0659P)²+47.0163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1624
_refine_ls_wR_factor_ref         0.1697
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C60-N2
 1.5 with sigma of 0.01
3. Rigid bond restraints
 O2, N2, C59, C60, C61
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 F3, C36, C35, C39, C38, C56, C57', C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
Uanis(O12) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O2) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60)
\\sim Ueq, Uanis(C61) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.005
Uanis(F3) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C39)
\\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57') \\sim Ueq,
Uanis(C34) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.005
5. Others
 Fixed Sof: N1(0.5) C55(0.5) H55(0.5) C57(0.5) H57A(0.5) H57B(0.5) H57C(0.5)
 C57'(0.5) H57D(0.5) H57E(0.5) H57F(0.5) N1'(0.5) C55'(0.5) H55'(0.5) C56(0.5)
 H56A(0.5) H56B(0.5) H56C(0.5) C56'(0.5) H56D(0.5) H56E(0.5) H56F(0.5)
6.a Fixed occupancy and ADP/Uiso:
 O2
6.b Riding coordinates:
 C57'(H57D,H57E,H57F), C56(H56A,H56B,H56C), C56'(H56D,H56E,H56F), N3(H3A,H3B),
 C63(H63A,H63B,H63C)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C13(H13), C16(H16),
 C17(H17), C19(H19), C20(H20), C22(H22), C23(H23), C26(H26), C29(H29), C30(H30),
  C32(H32), C33(H33), C35(H35), C38(H38), C39(H39), C43(H43), C44(H44),
 C46(H46), C47(H47), C49(H49), C50(H50), C53(H53), C58(H58), C55(H55),
 C55'(H55'), C61(H61)
6.d Idealised Me refined as rotating group:
 C57(H57A,H57B,H57C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C62(H62A,H62B,
 H62C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.56805(2) 0.51152(3) 0.81987(2) 0.02542(11) Uani 1 1 d . . . . .
F1 F 0.7072(3) 0.4310(10) 0.75824(18) 0.113(3) Uani 1 1 d . . . . .
F2 F 1.3653(3) -0.0951(6) 1.07938(16) 0.107(2) Uani 1 1 d . . . . .
F3 F 1.3533(6) -0.6106(15) 0.8024(4) 0.225(5) Uani 1 1 d . U . . .
F4 F 0.8389(5) -0.2032(9) 0.5525(2) 0.158(4) Uani 1 1 d . . . . .
O1 O 0.6343(2) 0.4718(6) 0.79002(15) 0.0526(14) Uani 1 1 d . . . . .
O2 O 0.6764(2) 0.4384(7) 0.85104(15) 0.053 Uani 1 1 d . U . . .
O3 O 1.4107(3) -0.3166(7) 1.13250(15) 0.0735(19) Uani 1 1 d . . . . .
O4 O 1.3854(3) -0.5358(6) 1.11078(15) 0.0540(14) Uani 1 1 d . . . . .
O5 O 1.5012(2) -0.3238(6) 0.83116(14) 0.0467(12) Uani 1 1 d . . . . .
O6 O 1.4658(2) -0.5465(6) 0.81216(19) 0.0592(16) Uani 1 1 d . . . . .
O7 O 0.6518(5) -0.1819(17) 0.5208(3) 0.180(6) Uani 1 1 d . . . . .
O8 O 0.7167(4) -0.2764(8) 0.5045(2) 0.099(3) Uani 1 1 d . . . . .
O9 O 0.4928(2) 0.1156(5) 0.74111(12) 0.0379(11) Uani 1 1 d . . . . .
O10 O 0.5330(2) 0.2923(5) 0.78520(13) 0.0436(12) Uani 1 1 d . . . . .
O11 O 0.6149(2) 0.7423(6) 0.82772(15) 0.0480(12) Uani 1 1 d . . . . .
C1 C 0.7365(3) 0.3672(8) 0.8231(2) 0.0387(16) Uani 1 1 d . . . . .
C2 C 0.7457(3) 0.3594(9) 0.7922(2) 0.0457(18) Uani 1 1 d . . . . .
C3 C 0.7966(3) 0.2904(9) 0.7944(2) 0.0487(19) Uani 1 1 d . . . . .
H3 H 0.801821 0.290447 0.772354 0.058 Uiso 1 1 calc R . . . .
C4 C 0.8397(3) 0.2218(8) 0.8277(2) 0.0374(15) Uani 1 1 d . . . . .
C5 C 0.8315(3) 0.2299(9) 0.8598(2) 0.0475(19) Uani 1 1 d . . . . .
H5 H 0.861037 0.185050 0.883569 0.057 Uiso 1 1 calc R . . . .
C6 C 0.7813(3) 0.3019(9) 0.8576(2) 0.0498(19) Uani 1 1 d . . . . .
H6 H 0.777104 0.307235 0.880039 0.060 Uiso 1 1 calc R . . . .
C7 C 0.6789(3) 0.4318(8) 0.8208(2) 0.0414(16) Uani 1 1 d . . . . .
C8 C 0.8944(3) 0.1455(8) 0.83022(19) 0.0350(15) Uani 1 1 d . . . . .
C9 C 0.9237(3) 0.2011(8) 0.81096(19) 0.0355(15) Uani 1 1 d . . . . .
H9 H 0.909248 0.290097 0.796589 0.043 Uiso 1 1 calc R . . . .
C10 C 0.9737(3) 0.1278(7) 0.81257(19) 0.0335(14) Uani 1 1 d . . . . .
H10 H 0.992419 0.166348 0.798723 0.040 Uiso 1 1 calc R . . . .
C11 C 0.9970(3) -0.0007(7) 0.83393(18) 0.0324(14) Uani 1 1 d . . . . .
C12 C 0.9682(3) -0.0555(8) 0.8538(2) 0.0405(16) Uani 1 1 d . . . . .
H12 H 0.983176 -0.143238 0.868691 0.049 Uiso 1 1 calc R . . . .
C13 C 0.9182(3) 0.0169(8) 0.8519(2) 0.0420(16) Uani 1 1 d . . . . .
H13 H 0.899395 -0.021628 0.865771 0.050 Uiso 1 1 calc R . . . .
C14 C 1.0524(3) -0.0753(7) 0.83649(17) 0.0299(13) Uani 1 1 d . . . . .
C15 C 1.1017(3) -0.1188(7) 0.87601(17) 0.0323(14) Uani 1 1 d . . . . .
C16 C 1.1326(3) -0.2514(8) 0.88289(18) 0.0378(15) Uani 1 1 d . . . . .
H16 H 1.122432 -0.315208 0.861580 0.045 Uiso 1 1 calc R . . . .
C17 C 1.1778(3) -0.2947(8) 0.9197(2) 0.0474(18) Uani 1 1 d . . . . .
H17 H 1.197459 -0.387836 0.923468 0.057 Uiso 1 1 calc R . . . .
C18 C 1.1943(3) -0.2020(8) 0.95097(19) 0.0410(16) Uani 1 1 d . . . . .
C19 C 1.1642(3) -0.0701(8) 0.94522(19) 0.0447(17) Uani 1 1 d . . . . .
H19 H 1.174955 -0.006237 0.966607 0.054 Uiso 1 1 calc R . . . .
C20 C 1.1176(3) -0.0291(8) 0.9079(2) 0.0446(17) Uani 1 1 d . . . . .
H20 H 1.096435 0.061740 0.904361 0.053 Uiso 1 1 calc R . . . .
C21 C 1.2429(3) -0.2494(8) 0.9909(2) 0.0443(17) Uani 1 1 d . . . . .
C22 C 1.2488(4) -0.3977(9) 1.0011(2) 0.066(3) Uani 1 1 d . . . . .
H22 H 1.221828 -0.468434 0.982851 0.079 Uiso 1 1 calc R . . . .
C23 C 1.2937(4) -0.4419(9) 1.0376(2) 0.064(2) Uani 1 1 d . . . . .
H23 H 1.296773 -0.543529 1.044006 0.077 Uiso 1 1 calc R . . . .
C24 C 1.3340(3) -0.3452(8) 1.0649(2) 0.0449(17) Uani 1 1 d . . . . .
C25 C 1.3260(4) -0.1997(9) 1.0543(2) 0.059(2) Uani 1 1 d . . . . .
C26 C 1.2816(4) -0.1506(9) 1.0178(2) 0.054(2) Uani 1 1 d . . . . .
H26 H 1.278287 -0.048627 1.011665 0.065 Uiso 1 1 calc R . . . .
C27 C 1.3805(3) -0.4013(10) 1.10495(19) 0.0437(18) Uani 1 1 d . . . . .
C28 C 1.1180(3) -0.1418(7) 0.80762(18) 0.0295(13) Uani 1 1 d . . . . .
C29 C 1.1211(3) -0.2663(7) 0.78866(18) 0.0322(14) Uani 1 1 d . . . . .
H29 H 1.084560 -0.322483 0.773299 0.039 Uiso 1 1 calc R . . . .
C30 C 1.1761(3) -0.3101(8) 0.7917(2) 0.0382(15) Uani 1 1 d . . . . .
H30 H 1.177217 -0.396445 0.778595 0.046 Uiso 1 1 calc R . . . .
C31 C 1.2302(3) -0.2300(8) 0.8137(2) 0.0373(15) Uani 1 1 d . . . . .
C32 C 1.2268(3) -0.1024(8) 0.8317(2) 0.0458(18) Uani 1 1 d . . . . .
H32 H 1.262925 -0.043985 0.846195 0.055 Uiso 1 1 calc R . . . .
C33 C 1.1715(3) -0.0594(8) 0.8288(2) 0.0392(16) Uani 1 1 d . . . . .
H33 H 1.170046 0.027844 0.841559 0.047 Uiso 1 1 calc R . . . .
C34 C 1.2892(3) -0.2800(8) 0.8165(2) 0.0395(15) Uani 1 1 d . U . . .
C35 C 1.2959(5) -0.4135(15) 0.8043(4) 0.114(4) Uani 1 1 d . U . . .
H35 H 1.262872 -0.482789 0.795094 0.137 Uiso 1 1 calc R . . . .
C36 C 1.3492(6) -0.4501(16) 0.8050(5) 0.123(5) Uani 1 1 d . U . . .
C37 C 1.4011(3) -0.3742(9) 0.8202(2) 0.0458(18) Uani 1 1 d . . . . .
C38 C 1.3963(4) -0.2468(12) 0.8362(3) 0.082(3) Uani 1 1 d . U . . .
H38 H 1.431680 -0.184796 0.849055 0.099 Uiso 1 1 calc R . . . .
C39 C 1.3410(4) -0.2035(12) 0.8344(3) 0.088(3) Uani 1 1 d . U . . .
H39 H 1.340901 -0.114015 0.846746 0.106 Uiso 1 1 calc R . . . .
C40 C 1.4594(3) -0.4182(9) 0.8215(2) 0.0408(16) Uani 1 1 d . . . . .
C41 C 1.0570(3) -0.1003(7) 0.80458(18) 0.0282(13) Uani 1 1 d . . . . .
C42 C 1.0036(3) -0.0954(7) 0.76415(17) 0.0277(13) Uani 1 1 d . . . . .
C43 C 0.9474(3) -0.1623(7) 0.7552(2) 0.0372(15) Uani 1 1 d . . . . .
H43 H 0.942211 -0.201090 0.775514 0.045 Uiso 1 1 calc R . . . .
C44 C 0.9000(3) -0.1729(8) 0.7178(2) 0.0438(17) Uani 1 1 d . . . . .
H44 H 0.862348 -0.218307 0.712726 0.053 Uiso 1 1 calc R . . . .
C45 C 0.9053(3) -0.1195(8) 0.68723(19) 0.0414(16) Uani 1 1 d . . . . .
C46 C 0.9603(3) -0.0506(8) 0.6951(2) 0.0438(17) Uani 1 1 d . . . . .
H46 H 0.964369 -0.011179 0.674390 0.053 Uiso 1 1 calc R . . . .
C47 C 1.0099(3) -0.0388(7) 0.73343(19) 0.0342(14) Uani 1 1 d . . . . .
H47 H 1.047486 0.007276 0.738552 0.041 Uiso 1 1 calc R . . . .
C48 C 0.8535(4) -0.1395(9) 0.6456(2) 0.055(2) Uani 1 1 d . . . . .
C49 C 0.7924(4) -0.1371(11) 0.6376(2) 0.070(3) Uani 1 1 d . . . . .
H49 H 0.783645 -0.116453 0.657733 0.084 Uiso 1 1 calc R . . . .
C50 C 0.7438(4) -0.1652(12) 0.5998(3) 0.081(3) Uani 1 1 d . . . . .
H50 H 0.702188 -0.165958 0.594646 0.097 Uiso 1 1 calc R . . . .
C51 C 0.7560(5) -0.1925(10) 0.5689(3) 0.070(3) Uani 1 1 d . . . . .
C52 C 0.8170(5) -0.1934(10) 0.5796(3) 0.067(2) Uani 1 1 d . . . . .
C53 C 0.8658(5) -0.1654(9) 0.6164(2) 0.065(2) Uani 1 1 d . . . . .
H53 H 0.907251 -0.164224 0.621374 0.078 Uiso 1 1 calc R . . . .
C54 C 0.7051(6) -0.2212(15) 0.5286(4) 0.099(4) Uani 1 1 d . . . . .
C58 C 0.5181(3) 0.2356(8) 0.7537(2) 0.0422(17) Uani 1 1 d . . . . .
H58 H 0.527290 0.291221 0.736999 0.051 Uiso 1 1 calc R . . . .
N1 N 0.6518(8) 0.953(3) 0.8131(6) 0.064(5) Uani 0.5 1 d . . P A 1
C55 C 0.6239(8) 0.815(2) 0.8048(6) 0.067(5) Uani 0.5 1 d . . P A 1
H55 H 0.611036 0.773366 0.779900 0.081 Uiso 0.5 1 calc R . P A 1
C57 C 0.6552(11) 1.029(3) 0.7844(8) 0.100(8) Uani 0.5 1 d . . P A 1
H57A H 0.637306 0.969163 0.760689 0.150 Uiso 0.5 1 calc GR . P A 1
H57B H 0.698719 1.050550 0.792868 0.150 Uiso 0.5 1 calc GR . P A 1
H57C H 0.632049 1.121433 0.779119 0.150 Uiso 0.5 1 calc GR . P A 1
C57' C 0.674(2) 1.007(4) 0.8521(13) 0.127(15) Uani 0.5 1 d . U P A 1
H57D H 0.658977 1.104060 0.851800 0.190 Uiso 0.5 1 d R . P A 1
H57E H 0.718377 1.009600 0.863200 0.190 Uiso 0.5 1 d R . P A 1
H57F H 0.663947 0.943030 0.867370 0.190 Uiso 0.5 1 d R . P A 1
N1' N 0.6788(8) 0.933(2) 0.8536(6) 0.066(5) Uani 0.5 1 d . . P A -1
C55' C 0.6542(7) 0.8046(18) 0.8559(5) 0.047(4) Uani 0.5 1 d . . P A -1
H55' H 0.668523 0.761588 0.880716 0.056 Uiso 0.5 1 calc R . P A -1
C56 C 0.6566(18) 1.021(3) 0.8185(12) 0.099(13) Uani 0.5 1 d . U P A -1
H56A H 0.667192 1.123011 0.825372 0.149 Uiso 0.5 1 d R . P A -1
H56B H 0.612532 1.012651 0.801722 0.149 Uiso 0.5 1 d R . P A -1
H56C H 0.677412 0.985581 0.805382 0.149 Uiso 0.5 1 d R . P A -1
C56' C 0.7281(11) 1.002(2) 0.8880(6) 0.093(8) Uani 0.5 1 d . . P A -1
H56D H 0.711833 1.084514 0.895371 0.140 Uiso 0.5 1 d R . P A -1
H56E H 0.760913 1.035644 0.883931 0.140 Uiso 0.5 1 d R . P A -1
H56F H 0.743863 0.929974 0.908341 0.140 Uiso 0.5 1 d R . P A -1
O12 O 0.9049(5) 0.5845(12) 0.8095(3) 0.142(4) Uani 1 1 d . U . . .
N2 N 0.8147(6) 0.6911(15) 0.7917(4) 0.139(4) Uani 1 1 d D U . . .
C59 C 0.7763(8) 0.758(2) 0.8071(5) 0.163(5) Uani 1 1 d . U . . .
H59A H 0.795815 0.739006 0.835025 0.245 Uiso 1 1 calc GR . . . .
H59B H 0.734624 0.715421 0.793668 0.245 Uiso 1 1 calc GR . . . .
H59C H 0.773398 0.865118 0.802627 0.245 Uiso 1 1 calc GR . . . .
C60 C 0.7896(8) 0.687(2) 0.7493(4) 0.168(5) Uani 1 1 d D U . . .
H60A H 0.812529 0.614993 0.743195 0.253 Uiso 1 1 calc GR . . . .
H60B H 0.793808 0.785073 0.740404 0.253 Uiso 1 1 calc GR . . . .
H60C H 0.745617 0.659926 0.736277 0.253 Uiso 1 1 calc GR . . . .
C61 C 0.8649(8) 0.6322(19) 0.8190(6) 0.141(4) Uani 1 1 d . U . . .
H61 H 0.872410 0.624096 0.844833 0.169 Uiso 1 1 calc R . . . .
N3 N 0.4782(4) 0.1405(11) 0.8262(3) 0.109(4) Uani 1 1 d . . . . .
H3A H 0.493281 0.222294 0.821705 0.131 Uiso 1 1 d R . . . .
H3B H 0.476931 0.154304 0.847935 0.131 Uiso 1 1 d R . . . .
C62 C 0.4135(6) 0.1102(17) 0.7942(4) 0.117(5) Uani 1 1 d . . . . .
H62A H 0.413784 0.092678 0.769932 0.176 Uiso 1 1 calc GR . . . .
H62B H 0.387080 0.195186 0.790906 0.176 Uiso 1 1 calc GR . . . .
H62C H 0.397380 0.022916 0.800643 0.176 Uiso 1 1 calc GR . . . .
C63 C 0.5218(6) 0.0164(10) 0.8326(4) 0.094(4) Uani 1 1 d . . . . .
H63A H 0.521376 -0.003680 0.808793 0.140 Uiso 1 1 d R . . . .
H63B H 0.509027 -0.070000 0.840683 0.140 Uiso 1 1 d R . . . .
H63C H 0.562946 0.043590 0.852343 0.140 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.496(5) . ?
Dy1 O2 2.432(5) . ?
Dy1 O3 2.449(6) 3_757 ?
Dy1 O4 2.407(5) 3_757 ?
Dy1 O5 2.441(4) 1_465 ?
Dy1 O6 2.466(5) 1_465 ?
Dy1 O9 2.321(4) 2_656 ?
Dy1 O10 2.327(5) . ?
Dy1 O11 2.342(5) . ?
Dy1 C7 2.837(6) . ?
Dy1 C27 2.782(7) 3_757 ?
Dy1 C40 2.813(6) 1_465 ?
F1 C2 1.368(9) . ?
F2 C25 1.369(9) . ?
F3 C36 1.468(18) . ?
F4 C52 1.435(13) . ?
O1 C7 1.225(8) . ?
O2 C7 1.236(8) . ?
O3 C27 1.238(9) . ?
O4 C27 1.237(10) . ?
O5 C40 1.251(9) . ?
O6 C40 1.256(9) . ?
O7 C54 1.254(16) . ?
O8 C54 1.237(15) . ?
O9 C58 1.233(8) . ?
O10 C58 1.226(8) . ?
O11 C55 1.233(19) . ?
O11 C55' 1.197(16) . ?
C1 C2 1.361(9) . ?
C1 C6 1.394(10) . ?
C1 C7 1.510(8) . ?
C2 C3 1.376(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.367(10) . ?
C4 C5 1.393(9) . ?
C4 C8 1.486(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.374(9) . ?
C6 H6 0.9500 . ?
C8 C9 1.391(9) . ?
C8 C13 1.395(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.386(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(9) . ?
C11 C12 1.399(9) . ?
C11 C14 1.495(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.377(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.483(8) . ?
C14 C41 1.349(8) . ?
C15 C16 1.380(9) . ?
C15 C20 1.388(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(10) . ?
C18 C19 1.370(10) . ?
C18 C21 1.499(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.401(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.392(11) . ?
C21 C26 1.358(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.373(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.366(11) . ?
C24 C25 1.370(11) . ?
C24 C27 1.513(9) . ?
C25 C26 1.386(10) . ?
C26 H26 0.9500 . ?
C28 C29 1.381(9) . ?
C28 C33 1.385(9) . ?
C28 C41 1.512(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.374(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(9) . ?
C31 C32 1.387(10) . ?
C31 C34 1.488(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.382(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.347(14) . ?
C34 C39 1.317(12) . ?
C35 H35 0.9500 . ?
C35 C36 1.357(15) . ?
C36 C37 1.314(15) . ?
C37 C38 1.354(12) . ?
C37 C40 1.481(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.400(11) . ?
C39 H39 0.9500 . ?
C41 C42 1.487(8) . ?
C42 C43 1.397(9) . ?
C42 C47 1.405(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.360(9) . ?
C44 H44 0.9500 . ?
C44 C45 1.375(10) . ?
C45 C46 1.391(10) . ?
C45 C48 1.517(10) . ?
C46 H46 0.9500 . ?
C46 C47 1.404(10) . ?
C47 H47 0.9500 . ?
C48 C49 1.389(12) . ?
C48 C53 1.359(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.403(12) . ?
C50 H50 0.9500 . ?
C50 C51 1.426(15) . ?
C51 C52 1.358(14) . ?
C51 C54 1.487(14) . ?
C52 C53 1.380(12) . ?
C53 H53 0.9500 . ?
C58 H58 0.9500 . ?
N1 C55 1.39(3) . ?
N1 C57 1.37(3) . ?
N1 C57' 1.45(5) . ?
N1 N1' 1.41(3) . ?
N1 C56 0.65(4) . ?
C55 H55 0.9500 . ?
C55 C55' 1.78(3) . ?
C55 C56 2.01(4) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C57 C56 1.34(5) . ?
C57' H57D 0.9601 . ?
C57' H57E 0.9597 . ?
C57' H57F 0.9603 . ?
C57' N1' 0.67(4) . ?
C57' C55' 1.92(4) . ?
C57' C56 1.19(5) . ?
C57' C56' 1.39(5) . ?
N1' C55' 1.34(2) . ?
N1' C56 1.46(5) . ?
N1' C56' 1.45(3) . ?
C55' H55' 0.9500 . ?
C56 H56A 0.9599 . ?
C56 H56B 0.9602 . ?
C56 H56C 0.9601 . ?
C56' H56D 0.9599 . ?
C56' H56E 0.9599 . ?
C56' H56F 0.9600 . ?
O12 C61 1.303(18) . ?
N2 C59 1.500(19) . ?
N2 C60 1.475(9) . ?
N2 C61 1.291(19) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61 0.9500 . ?
N3 H3A 0.8901 . ?
N3 H3B 0.8887 . ?
N3 C62 1.495(14) . ?
N3 C63 1.495(14) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9598 . ?
C63 H63B 0.9602 . ?
C63 H63C 0.9602 . ?

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 C7 25.54(18) . . ?
O1 Dy1 C27 113.64(19) . 3_757 ?
O1 Dy1 C40 156.48(19) . 1_465 ?
O2 Dy1 O1 51.16(17) . . ?
O2 Dy1 O3 69.8(2) . 3_757 ?
O2 Dy1 O5 139.37(17) . 1_465 ?
O2 Dy1 O6 145.0(2) . 1_465 ?
O2 Dy1 C7 25.69(18) . . ?
O2 Dy1 C27 63.80(19) . 3_757 ?
O2 Dy1 C40 152.36(19) . 1_465 ?
O3 Dy1 O1 109.0(2) 3_757 . ?
O3 Dy1 O6 75.6(2) 3_757 1_465 ?
O3 Dy1 C7 88.6(2) 3_757 . ?
O3 Dy1 C27 26.4(2) 3_757 3_757 ?
O3 Dy1 C40 89.0(2) 3_757 1_465 ?
O4 Dy1 O1 120.31(18) 3_757 . ?
O4 Dy1 O2 70.54(18) 3_757 . ?
O4 Dy1 O3 52.15(19) 3_757 3_757 ?
O4 Dy1 O5 73.41(17) 3_757 1_465 ?
O4 Dy1 O6 92.1(2) 3_757 1_465 ?
O4 Dy1 C7 95.8(2) 3_757 . ?
O4 Dy1 C27 26.3(2) 3_757 3_757 ?
O4 Dy1 C40 82.52(19) 3_757 1_465 ?
O5 Dy1 O1 148.31(19) 1_465 . ?
O5 Dy1 O3 101.7(2) 1_465 3_757 ?
O5 Dy1 O6 52.82(18) 1_465 1_465 ?
O5 Dy1 C7 154.6(2) 1_465 . ?
O5 Dy1 C27 90.7(2) 1_465 3_757 ?
O5 Dy1 C40 26.3(2) 1_465 1_465 ?
O6 Dy1 O1 143.0(2) 1_465 . ?
O6 Dy1 C7 152.3(2) 1_465 . ?
O6 Dy1 C27 87.0(2) 1_465 3_757 ?
O6 Dy1 C40 26.5(2) 1_465 1_465 ?
O9 Dy1 O1 78.65(16) 2_656 . ?
O9 Dy1 O2 128.37(17) 2_656 . ?
O9 Dy1 O3 151.29(18) 2_656 3_757 ?
O9 Dy1 O4 147.92(17) 2_656 3_757 ?
O9 Dy1 O5 78.14(16) 2_656 1_465 ?
O9 Dy1 O6 82.16(18) 2_656 1_465 ?
O9 Dy1 O10 82.76(17) 2_656 . ?
O9 Dy1 O11 78.24(18) 2_656 . ?
O9 Dy1 C7 103.84(18) 2_656 . ?
O9 Dy1 C27 167.69(18) 2_656 3_757 ?
O9 Dy1 C40 78.40(18) 2_656 1_465 ?
O10 Dy1 O1 74.68(17) . . ?
O10 Dy1 O2 93.43(18) . . ?
O10 Dy1 O3 73.26(18) . 3_757 ?
O10 Dy1 O4 125.41(18) . 3_757 ?
O10 Dy1 O5 122.99(17) . 1_465 ?
O10 Dy1 O6 71.73(18) . 1_465 ?
O10 Dy1 O11 149.07(17) . . ?
O10 Dy1 C7 82.15(19) . . ?
O10 Dy1 C27 99.4(2) . 3_757 ?
O10 Dy1 C40 97.3(2) . 1_465 ?
O11 Dy1 O1 77.78(18) . . ?
O11 Dy1 O2 79.87(19) . . ?
O11 Dy1 O3 130.06(18) . 3_757 ?
O11 Dy1 O4 81.0(2) . 3_757 ?
O11 Dy1 O5 76.60(17) . 1_465 ?
O11 Dy1 O6 128.49(17) . 1_465 ?
O11 Dy1 C7 79.0(2) . . ?
O11 Dy1 C27 104.4(2) . 3_757 ?
O11 Dy1 C40 102.4(2) . 1_465 ?
C27 Dy1 C7 88.5(2) 3_757 . ?
C27 Dy1 C40 89.3(2) 3_757 1_465 ?
C40 Dy1 C7 177.6(2) 1_465 . ?
C7 O1 Dy1 93.0(4) . . ?
C7 O2 Dy1 95.8(4) . . ?
C27 O3 Dy1 92.0(5) . 3_757 ?
C27 O4 Dy1 94.0(4) . 3_757 ?
C40 O5 Dy1 93.7(4) . 1_645 ?
C40 O6 Dy1 92.4(4) . 1_645 ?
C58 O9 Dy1 135.9(4) . 2_646 ?
C58 O10 Dy1 142.7(5) . . ?
C55 O11 Dy1 129.8(10) . . ?
C55' O11 Dy1 131.8(9) . . ?
C55' O11 C55 94.3(12) . . ?
C2 C1 C6 116.9(6) . . ?
C2 C1 C7 123.4(6) . . ?
C6 C1 C7 119.6(6) . . ?
F1 C2 C3 116.6(6) . . ?
C1 C2 F1 121.0(6) . . ?
C1 C2 C3 122.2(6) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.3(6) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C5 117.3(6) . . ?
C3 C4 C8 121.7(6) . . ?
C5 C4 C8 120.9(6) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(7) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 H6 119.4 . . ?
C5 C6 C1 121.3(6) . . ?
C5 C6 H6 119.4 . . ?
O1 C7 Dy1 61.5(3) . . ?
O1 C7 O2 119.7(6) . . ?
O1 C7 C1 122.3(6) . . ?
O2 C7 Dy1 58.5(3) . . ?
O2 C7 C1 117.9(6) . . ?
C1 C7 Dy1 171.5(5) . . ?
C9 C8 C4 120.7(6) . . ?
C9 C8 C13 117.8(5) . . ?
C13 C8 C4 121.5(6) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.5(6) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 119.2 . . ?
C9 C10 C11 121.5(6) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 C12 118.0(6) . . ?
C10 C11 C14 120.8(6) . . ?
C12 C11 C14 121.3(6) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 C11 120.4(6) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 H13 119.2 . . ?
C12 C13 C8 121.7(6) . . ?
C12 C13 H13 119.2 . . ?
C15 C14 C11 116.0(5) . . ?
C41 C14 C11 121.5(5) . . ?
C41 C14 C15 122.5(5) . . ?
C16 C15 C14 121.7(6) . . ?
C16 C15 C20 117.1(6) . . ?
C20 C15 C14 121.2(6) . . ?
C15 C16 H16 118.8 . . ?
C15 C16 C17 122.3(6) . . ?
C17 C16 H16 118.8 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.7(7) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C21 119.8(6) . . ?
C19 C18 C17 119.4(6) . . ?
C19 C18 C21 120.8(6) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(7) . . ?
C20 C19 H19 119.9 . . ?
C15 C20 C19 121.2(6) . . ?
C15 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C22 C21 C18 119.9(7) . . ?
C26 C21 C18 121.5(7) . . ?
C26 C21 C22 118.6(7) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.1(8) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 118.8 . . ?
C24 C23 C22 122.5(8) . . ?
C24 C23 H23 118.8 . . ?
C23 C24 C25 116.1(7) . . ?
C23 C24 C27 119.4(7) . . ?
C25 C24 C27 124.4(7) . . ?
F2 C25 C24 120.3(7) . . ?
F2 C25 C26 116.3(7) . . ?
C24 C25 C26 123.3(7) . . ?
C21 C26 C25 119.4(7) . . ?
C21 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
O3 C27 Dy1 61.6(4) . 3_757 ?
O3 C27 C24 121.9(7) . . ?
O4 C27 Dy1 59.7(3) . 3_757 ?
O4 C27 O3 119.2(6) . . ?
O4 C27 C24 118.7(7) . . ?
C24 C27 Dy1 161.8(5) . 3_757 ?
C29 C28 C33 118.4(5) . . ?
C29 C28 C41 119.2(5) . . ?
C33 C28 C41 122.4(6) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.9(6) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 119.5 . . ?
C29 C30 C31 121.1(6) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 C34 119.9(6) . . ?
C32 C31 C30 118.1(6) . . ?
C32 C31 C34 122.0(6) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.7(6) . . ?
C33 C32 H32 119.7 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.8(6) . . ?
C32 C33 H33 119.6 . . ?
C35 C34 C31 122.8(8) . . ?
C39 C34 C31 123.0(7) . . ?
C39 C34 C35 113.9(8) . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(11) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 F3 110.0(13) . . ?
C37 C36 F3 117.8(10) . . ?
C37 C36 C35 127.6(12) . . ?
C36 C37 C38 111.4(8) . . ?
C36 C37 C40 126.6(8) . . ?
C38 C37 C40 122.0(8) . . ?
C37 C38 H38 118.9 . . ?
C37 C38 C39 122.2(9) . . ?
C39 C38 H38 118.9 . . ?
C34 C39 C38 123.5(9) . . ?
C34 C39 H39 118.2 . . ?
C38 C39 H39 118.2 . . ?
O5 C40 Dy1 60.0(3) . 1_645 ?
O5 C40 O6 121.1(6) . . ?
O5 C40 C37 118.5(7) . . ?
O6 C40 Dy1 61.1(3) . 1_645 ?
O6 C40 C37 120.4(7) . . ?
C37 C40 Dy1 176.2(5) . 1_645 ?
C14 C41 C28 121.5(5) . . ?
C14 C41 C42 124.1(5) . . ?
C42 C41 C28 114.4(5) . . ?
C43 C42 C41 120.1(6) . . ?
C43 C42 C47 118.1(6) . . ?
C47 C42 C41 121.4(5) . . ?
C42 C43 H43 119.3 . . ?
C44 C43 C42 121.3(7) . . ?
C44 C43 H43 119.3 . . ?
C43 C44 H44 119.1 . . ?
C43 C44 C45 121.7(6) . . ?
C45 C44 H44 119.1 . . ?
C44 C45 C46 118.6(6) . . ?
C44 C45 C48 121.2(7) . . ?
C46 C45 C48 120.2(7) . . ?
C45 C46 H46 119.7 . . ?
C45 C46 C47 120.7(7) . . ?
C47 C46 H46 119.7 . . ?
C42 C47 H47 120.2 . . ?
C46 C47 C42 119.6(6) . . ?
C46 C47 H47 120.2 . . ?
C49 C48 C45 118.9(8) . . ?
C53 C48 C45 121.3(8) . . ?
C53 C48 C49 119.8(8) . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.1(9) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 119.6 . . ?
C49 C50 C51 120.7(10) . . ?
C51 C50 H50 119.6 . . ?
C50 C51 C54 121.6(11) . . ?
C52 C51 C50 114.9(8) . . ?
C52 C51 C54 123.5(11) . . ?
C51 C52 F4 123.6(9) . . ?
C51 C52 C53 125.6(9) . . ?
C53 C52 F4 110.2(10) . . ?
C48 C53 C52 118.8(10) . . ?
C48 C53 H53 120.6 . . ?
C52 C53 H53 120.6 . . ?
O7 C54 C51 116.1(13) . . ?
O8 C54 O7 123.7(12) . . ?
O8 C54 C51 120.1(13) . . ?
O9 C58 H58 115.9 . . ?
O10 C58 O9 128.2(7) . . ?
O10 C58 H58 115.9 . . ?
C55 N1 C57' 116(3) . . ?
C55 N1 N1' 92.9(19) . . ?
C57 N1 C55 119(2) . . ?
C57 N1 C57' 125(3) . . ?
C57 N1 N1' 145(2) . . ?
N1' N1 C57' 27.3(16) . . ?
C56 N1 C55 158(5) . . ?
C56 N1 C57 74(5) . . ?
C56 N1 C57' 54(4) . . ?
C56 N1 N1' 81(5) . . ?
O11 C55 N1 123.9(18) . . ?
O11 C55 H55 118.0 . . ?
O11 C55 C55' 42.1(9) . . ?
O11 C55 C56 119.6(19) . . ?
N1 C55 H55 118.0 . . ?
N1 C55 C55' 84.2(14) . . ?
N1 C55 C56 6.9(17) . . ?
C55' C55 H55 153.7 . . ?
C55' C55 C56 81.6(16) . . ?
C56 C55 H55 122.1 . . ?
N1 C57 H57A 109.5 . . ?
N1 C57 H57B 109.5 . . ?
N1 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C57 N1 27.7(16) . . ?
C56 C57 H57A 135.5 . . ?
C56 C57 H57B 101.5 . . ?
C56 C57 H57C 88.5 . . ?
N1 C57' H57D 111.1 . . ?
N1 C57' H57E 103.9 . . ?
N1 C57' H57F 113.3 . . ?
N1 C57' C55' 78(2) . . ?
H57D C57' H57E 109.5 . . ?
H57D C57' H57F 109.5 . . ?
H57E C57' H57F 109.5 . . ?
N1' C57' N1 74(5) . . ?
N1' C57' H57D 164.1 . . ?
N1' C57' H57E 83.2 . . ?
N1' C57' H57F 55.9 . . ?
N1' C57' C55' 25(3) . . ?
N1' C57' C56 99(6) . . ?
N1' C57' C56' 81(5) . . ?
C55' C57' H57D 139.7 . . ?
C55' C57' H57E 105.8 . . ?
C55' C57' H57F 38.5 . . ?
C56 C57' N1 26(2) . . ?
C56 C57' H57D 87.7 . . ?
C56 C57' H57E 101.9 . . ?
C56 C57' H57F 135.7 . . ?
C56 C57' C55' 103(3) . . ?
C56 C57' C56' 142(4) . . ?
C56' C57' N1 139(3) . . ?
C56' C57' H57D 102.1 . . ?
C56' C57' H57E 39.8 . . ?
C56' C57' H57F 76.0 . . ?
C56' C57' C55' 93(2) . . ?
N1 N1' C56 26.1(15) . . ?
N1 N1' C56' 135.9(18) . . ?
C57' N1' N1 79(5) . . ?
C57' N1' C55' 143(5) . . ?
C57' N1' C56 53(5) . . ?
C57' N1' C56' 71(5) . . ?
C55' N1' N1 102.5(19) . . ?
C55' N1' C56 125(2) . . ?
C55' N1' C56' 120.8(19) . . ?
C56' N1' C56 114(2) . . ?
O11 C55' C55 43.7(8) . . ?
O11 C55' C57' 119.9(18) . . ?
O11 C55' N1' 122.3(16) . . ?
O11 C55' H55' 118.9 . . ?
C55 C55' C57' 80.8(16) . . ?
C55 C55' H55' 158.6 . . ?
C57' C55' H55' 119.7 . . ?
N1' C55' C55 79.9(13) . . ?
N1' C55' C57' 12.1(17) . . ?
N1' C55' H55' 118.9 . . ?
N1 C56 C55 15(4) . . ?
N1 C56 C57 79(5) . . ?
N1 C56 C57' 100(6) . . ?
N1 C56 N1' 73(5) . . ?
N1 C56 H56A 172.7 . . ?
N1 C56 H56B 74.6 . . ?
N1 C56 H56C 63.3 . . ?
C55 C56 H56A 172.1 . . ?
C55 C56 H56B 64.4 . . ?
C55 C56 H56C 77.9 . . ?
C57 C56 C55 88(2) . . ?
C57 C56 N1' 143(3) . . ?
C57 C56 H56A 95.8 . . ?
C57 C56 H56B 81.9 . . ?
C57 C56 H56C 38.0 . . ?
C57' C56 C55 94(3) . . ?
C57' C56 C57 162(4) . . ?
C57' C56 N1' 27(2) . . ?
C57' C56 H56A 84.1 . . ?
C57' C56 H56B 115.0 . . ?
C57' C56 H56C 125.4 . . ?
N1' C56 C55 69.7(16) . . ?
N1' C56 H56A 109.9 . . ?
N1' C56 H56B 112.0 . . ?
N1' C56 H56C 106.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.4 . . ?
H56B C56 H56C 109.5 . . ?
C57' C56' N1' 27.4(16) . . ?
C57' C56' H56D 87.4 . . ?
C57' C56' H56E 106.5 . . ?
C57' C56' H56F 131.5 . . ?
N1' C56' H56D 109.9 . . ?
N1' C56' H56E 111.5 . . ?
N1' C56' H56F 107.1 . . ?
H56D C56' H56E 109.5 . . ?
H56D C56' H56F 109.5 . . ?
H56E C56' H56F 109.5 . . ?
C60 N2 C59 118.8(15) . . ?
C61 N2 C59 111.9(16) . . ?
C61 N2 C60 129.0(17) . . ?
N2 C59 H59A 109.5 . . ?
N2 C59 H59B 109.5 . . ?
N2 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N2 C60 H60A 109.5 . . ?
N2 C60 H60B 109.5 . . ?
N2 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O12 C61 H61 121.5 . . ?
N2 C61 O12 116.9(18) . . ?
N2 C61 H61 121.5 . . ?
H3A N3 H3B 107.6 . . ?
C62 N3 H3A 111.4 . . ?
C62 N3 H3B 107.9 . . ?
C62 N3 C63 112.7(11) . . ?
C63 N3 H3A 108.5 . . ?
C63 N3 H3B 108.5 . . ?
N3 C62 H62A 109.5 . . ?
N3 C62 H62B 109.5 . . ?
N3 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N3 C63 H63A 109.2 . . ?
N3 C63 H63B 109.8 . . ?
N3 C63 H63C 109.4 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C26 H26 O8 0.95 2.57 3.516(11) 172.4 2_756 yes
C58 H58 O5 0.95 2.65 3.209(8) 118.2 2_756 yes
C55' H55' O4 0.95 2.56 3.162(17) 121.2 3_757 yes
C56' H56D F2 0.96 2.58 3.29(3) 131.1 3_767 yes
C60 H60C F1 0.98 2.61 3.24(2) 121.6 . yes
N3 H3A O3 0.89 2.32 2.890(11) 121.5 3_757 yes
N3 H3A O6 0.89 2.18 2.882(12) 135.2 1_465 yes
N3 H3A O10 0.89 2.22 2.943(11) 137.9 . yes
C62 H62A O1 0.98 2.34 3.195(14) 145.8 2_646 yes
C62 H62B F3 0.98 2.10 3.05(2) 161.5 1_465 yes
C62 H62C F1 0.98 2.62 3.122(13) 112.2 2_646 yes
C63 H63A O9 0.96 2.65 3.456(13) 142.2 . yes
C63 H63B O5 0.96 2.33 3.127(11) 140.3 1_455 yes
C63 H63C F2 0.96 2.43 3.287(15) 148.0 3_757 yes
C63 H63C O3 0.96 2.56 3.136(12) 118.9 3_757 yes

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 C7 O2 -5.8(8) . . . . ?
Dy1 O1 C7 C1 171.2(7) . . . . ?
Dy1 O2 C7 O1 6.0(8) . . . . ?
Dy1 O2 C7 C1 -171.2(6) . . . . ?
Dy1 O3 C27 O4 -16.1(7) 3_757 . . . ?
Dy1 O3 C27 C24 159.3(6) 3_757 . . . ?
Dy1 O4 C27 O3 16.4(8) 3_757 . . . ?
Dy1 O4 C27 C24 -159.1(6) 3_757 . . . ?
Dy1 O5 C40 O6 2.4(7) 1_645 . . . ?
Dy1 O5 C40 C37 -176.0(6) 1_645 . . . ?
Dy1 O6 C40 O5 -2.4(7) 1_645 . . . ?
Dy1 O6 C40 C37 176.0(6) 1_645 . . . ?
Dy1 O9 C58 O10 155.6(6) 2_646 . . . ?
Dy1 O10 C58 O9 -169.8(5) . . . . ?
Dy1 O11 C55 N1 179.0(12) . . . . ?
Dy1 O11 C55 C55' -158.9(12) . . . . ?
Dy1 O11 C55 C56 172.7(13) . . . . ?
Dy1 O11 C55' C55 158.2(12) . . . . ?
Dy1 O11 C55' C57' -172.2(15) . . . . ?
Dy1 O11 C55' N1' 173.9(11) . . . . ?
F1 C2 C3 C4 176.8(8) . . . . ?
F2 C25 C26 C21 177.1(8) . . . . ?
F3 C36 C37 C38 -153.4(12) . . . . ?
F3 C36 C37 C40 25(2) . . . . ?
F4 C52 C53 C48 174.3(8) . . . . ?
O11 C55 C55' C57' -154.3(17) . . . . ?
O11 C55 C55' N1' -166.5(15) . . . . ?
C1 C2 C3 C4 2.0(13) . . . . ?
C2 C1 C6 C5 -1.6(12) . . . . ?
C2 C1 C7 O1 5.6(12) . . . . ?
C2 C1 C7 O2 -177.3(8) . . . . ?
C2 C3 C4 C5 -2.6(12) . . . . ?
C2 C3 C4 C8 179.3(7) . . . . ?
C3 C4 C5 C6 1.2(12) . . . . ?
C3 C4 C8 C9 35.9(11) . . . . ?
C3 C4 C8 C13 -144.4(8) . . . . ?
C4 C5 C6 C1 1.0(13) . . . . ?
C4 C8 C9 C10 -178.4(6) . . . . ?
C4 C8 C13 C12 178.9(7) . . . . ?
C5 C4 C8 C9 -142.1(7) . . . . ?
C5 C4 C8 C13 37.6(11) . . . . ?
C6 C1 C2 F1 -174.4(8) . . . . ?
C6 C1 C2 C3 0.2(12) . . . . ?
C6 C1 C7 O1 -169.6(8) . . . . ?
C6 C1 C7 O2 7.5(11) . . . . ?
C7 C1 C2 F1 10.3(13) . . . . ?
C7 C1 C2 C3 -175.2(8) . . . . ?
C7 C1 C6 C5 173.9(8) . . . . ?
C8 C4 C5 C6 179.3(7) . . . . ?
C8 C9 C10 C11 -1.4(11) . . . . ?
C9 C8 C13 C12 -1.4(11) . . . . ?
C9 C10 C11 C12 0.4(10) . . . . ?
C9 C10 C11 C14 -177.8(6) . . . . ?
C10 C11 C12 C13 0.1(11) . . . . ?
C10 C11 C14 C15 132.2(7) . . . . ?
C10 C11 C14 C41 -47.5(9) . . . . ?
C11 C12 C13 C8 0.4(12) . . . . ?
C11 C14 C15 C16 139.6(6) . . . . ?
C11 C14 C15 C20 -38.7(9) . . . . ?
C11 C14 C41 C28 165.3(6) . . . . ?
C11 C14 C41 C42 -17.0(10) . . . . ?
C12 C11 C14 C15 -45.9(9) . . . . ?
C12 C11 C14 C41 134.4(7) . . . . ?
C13 C8 C9 C10 1.9(10) . . . . ?
C14 C11 C12 C13 178.3(7) . . . . ?
C14 C15 C16 C17 -178.7(7) . . . . ?
C14 C15 C20 C19 -179.9(7) . . . . ?
C14 C41 C42 C43 -44.2(9) . . . . ?
C14 C41 C42 C47 142.8(7) . . . . ?
C15 C14 C41 C28 -14.4(10) . . . . ?
C15 C14 C41 C42 163.3(6) . . . . ?
C15 C16 C17 C18 -1.5(12) . . . . ?
C16 C15 C20 C19 1.8(11) . . . . ?
C16 C17 C18 C19 2.0(12) . . . . ?
C16 C17 C18 C21 179.5(7) . . . . ?
C17 C18 C19 C20 -0.7(12) . . . . ?
C17 C18 C21 C22 -32.8(12) . . . . ?
C17 C18 C21 C26 147.6(8) . . . . ?
C18 C19 C20 C15 -1.3(12) . . . . ?
C18 C21 C22 C23 179.4(8) . . . . ?
C18 C21 C26 C25 -179.8(8) . . . . ?
C19 C18 C21 C22 144.7(9) . . . . ?
C19 C18 C21 C26 -35.0(11) . . . . ?
C20 C15 C16 C17 -0.4(11) . . . . ?
C21 C18 C19 C20 -178.1(7) . . . . ?
C21 C22 C23 C24 -0.4(16) . . . . ?
C22 C21 C26 C25 0.6(13) . . . . ?
C22 C23 C24 C25 2.0(14) . . . . ?
C22 C23 C24 C27 177.5(9) . . . . ?
C23 C24 C25 F2 -178.1(9) . . . . ?
C23 C24 C25 C26 -2.3(14) . . . . ?
C23 C24 C27 Dy1 -72(2) . . . 3_757 ?
C23 C24 C27 O3 -167.7(8) . . . . ?
C23 C24 C27 O4 7.7(11) . . . . ?
C24 C25 C26 C21 1.1(14) . . . . ?
C25 C24 C27 Dy1 103.1(19) . . . 3_757 ?
C25 C24 C27 O3 7.5(12) . . . . ?
C25 C24 C27 O4 -177.1(8) . . . . ?
C26 C21 C22 C23 -0.9(14) . . . . ?
C27 C24 C25 F2 6.5(14) . . . . ?
C27 C24 C25 C26 -177.7(8) . . . . ?
C28 C29 C30 C31 -0.5(10) . . . . ?
C28 C41 C42 C43 133.6(6) . . . . ?
C28 C41 C42 C47 -39.4(8) . . . . ?
C29 C28 C33 C32 -1.5(10) . . . . ?
C29 C28 C41 C14 127.2(7) . . . . ?
C29 C28 C41 C42 -50.7(8) . . . . ?
C29 C30 C31 C32 -1.6(10) . . . . ?
C29 C30 C31 C34 180.0(6) . . . . ?
C30 C31 C32 C33 2.1(11) . . . . ?
C30 C31 C34 C35 -11.8(13) . . . . ?
C30 C31 C34 C39 174.7(9) . . . . ?
C31 C32 C33 C28 -0.6(12) . . . . ?
C31 C34 C35 C36 175.4(12) . . . . ?
C31 C34 C39 C38 -177.9(10) . . . . ?
C32 C31 C34 C35 169.8(10) . . . . ?
C32 C31 C34 C39 -3.6(12) . . . . ?
C33 C28 C29 C30 2.0(10) . . . . ?
C33 C28 C41 C14 -52.8(9) . . . . ?
C33 C28 C41 C42 129.3(7) . . . . ?
C34 C31 C32 C33 -179.5(7) . . . . ?
C34 C35 C36 F3 162.2(13) . . . . ?
C34 C35 C36 C37 7(3) . . . . ?
C35 C34 C39 C38 8.2(17) . . . . ?
C35 C36 C37 C38 0(2) . . . . ?
C35 C36 C37 C40 178.3(14) . . . . ?
C36 C37 C38 C39 -2.7(17) . . . . ?
C36 C37 C40 O5 168.5(12) . . . . ?
C36 C37 C40 O6 -9.9(15) . . . . ?
C37 C38 C39 C34 -1.5(19) . . . . ?
C38 C37 C40 O5 -13.2(12) . . . . ?
C38 C37 C40 O6 168.3(9) . . . . ?
C39 C34 C35 C36 -11(2) . . . . ?
C40 C37 C38 C39 178.8(10) . . . . ?
C41 C14 C15 C16 -40.7(10) . . . . ?
C41 C14 C15 C20 141.0(7) . . . . ?
C41 C28 C29 C30 -178.0(6) . . . . ?
C41 C28 C33 C32 178.5(7) . . . . ?
C41 C42 C43 C44 -173.1(6) . . . . ?
C41 C42 C47 C46 173.2(6) . . . . ?
C42 C43 C44 C45 0.5(11) . . . . ?
C43 C42 C47 C46 0.1(9) . . . . ?
C43 C44 C45 C46 -1.2(11) . . . . ?
C43 C44 C45 C48 176.6(7) . . . . ?
C44 C45 C46 C47 1.4(10) . . . . ?
C44 C45 C48 C49 34.0(11) . . . . ?
C44 C45 C48 C53 -143.3(8) . . . . ?
C45 C46 C47 C42 -0.8(10) . . . . ?
C45 C48 C49 C50 -175.7(9) . . . . ?
C45 C48 C53 C52 175.3(8) . . . . ?
C46 C45 C48 C49 -148.2(8) . . . . ?
C46 C45 C48 C53 34.5(11) . . . . ?
C47 C42 C43 C44 0.1(9) . . . . ?
C48 C45 C46 C47 -176.4(6) . . . . ?
C48 C49 C50 C51 -1.7(16) . . . . ?
C49 C48 C53 C52 -2.0(13) . . . . ?
C49 C50 C51 C52 2.0(15) . . . . ?
C49 C50 C51 C54 -179.5(10) . . . . ?
C50 C51 C52 F4 -173.1(9) . . . . ?
C50 C51 C52 C53 -2.5(14) . . . . ?
C50 C51 C54 O7 18.5(18) . . . . ?
C50 C51 C54 O8 -163.8(11) . . . . ?
C51 C52 C53 C48 2.6(14) . . . . ?
C52 C51 C54 O7 -163.0(13) . . . . ?
C52 C51 C54 O8 14.7(18) . . . . ?
C53 C48 C49 C50 1.7(14) . . . . ?
C54 C51 C52 F4 8.3(15) . . . . ?
C54 C51 C52 C53 179.0(10) . . . . ?
N1 C55 C55' O11 161.7(15) . . . . ?
N1 C55 C55' C57' 7.4(16) . . . . ?
N1 C55 C55' N1' -4.8(13) . . . . ?
N1 C57 C56 C55 -11(3) . . . . ?
N1 C57 C56 C57' 87(13) . . . . ?
N1 C57 C56 N1' 40(4) . . . . ?
N1 C57' N1' C55' -96(8) . . . . ?
N1 C57' N1' C56 6(4) . . . . ?
N1 C57' N1' C56' 147(2) . . . . ?
N1 C57' C56 C55 14(4) . . . . ?
N1 C57' C56 C57 -83(13) . . . . ?
N1 C57' C56 N1' -12(8) . . . . ?
N1 C57' C56' N1' -53(4) . . . . ?
N1 N1' C55' O11 -6(2) . . . . ?
N1 N1' C55' C55 4.9(13) . . . . ?
N1 N1' C55' C57' -89(10) . . . . ?
N1 N1' C56 C55 15(4) . . . . ?
N1 N1' C56 C57 -42(4) . . . . ?
N1 N1' C56 C57' 167(8) . . . . ?
N1 N1' C56' C57' 51(5) . . . . ?
C55 O11 C55' C57' 29.6(19) . . . . ?
C55 O11 C55' N1' 15.7(18) . . . . ?
C55 N1 C57 C56 161(5) . . . . ?
C55 N1 C57' N1' 35(5) . . . . ?
C55 N1 C57' C55' 10(2) . . . . ?
C55 N1 C57' C56 -157(6) . . . . ?
C55 N1 C57' C56' 90(5) . . . . ?
C55 N1 N1' C57' -149(5) . . . . ?
C55 N1 N1' C55' -6.1(17) . . . . ?
C55 N1 N1' C56 -159(5) . . . . ?
C55 N1 N1' C56' 163(3) . . . . ?
C55 N1 C56 C57 -130(15) . . . . ?
C55 N1 C56 C57' 68(16) . . . . ?
C55 N1 C56 N1' 74(15) . . . . ?
C57 N1 C55 O11 -174.9(18) . . . . ?
C57 N1 C55 C55' 170.4(18) . . . . ?
C57 N1 C55 C56 -122(16) . . . . ?
C57 N1 C57' N1' -146(4) . . . . ?
C57 N1 C57' C55' -171(2) . . . . ?
C57 N1 C57' C56 21(6) . . . . ?
C57 N1 C57' C56' -91(6) . . . . ?
C57 N1 N1' C57' 53(6) . . . . ?
C57 N1 N1' C55' -164(3) . . . . ?
C57 N1 N1' C56 43(5) . . . . ?
C57 N1 N1' C56' 5(5) . . . . ?
C57 N1 C56 C55 130(15) . . . . ?
C57 N1 C56 C57' -162(4) . . . . ?
C57 N1 C56 N1' -156.1(18) . . . . ?
C57' N1 C55 O11 4(3) . . . . ?
C57' N1 C55 C55' -11(2) . . . . ?
C57' N1 C55 C56 57(15) . . . . ?
C57' N1 C57 C56 -18(4) . . . . ?
C57' N1 N1' C55' 142(5) . . . . ?
C57' N1 N1' C56 -10(7) . . . . ?
C57' N1 N1' C56' -48(4) . . . . ?
C57' N1 C56 C55 -68(16) . . . . ?
C57' N1 C56 C57 162(4) . . . . ?
C57' N1 C56 N1' 6(4) . . . . ?
C57' N1' C55' O11 82(10) . . . . ?
C57' N1' C55' C55 93(10) . . . . ?
C57' N1' C56 N1 -167(8) . . . . ?
C57' N1' C56 C55 -152(6) . . . . ?
C57' N1' C56 C57 151(8) . . . . ?
N1' N1 C55 O11 19(2) . . . . ?
N1' N1 C55 C55' 4.5(12) . . . . ?
N1' N1 C55 C56 72(15) . . . . ?
N1' N1 C57 C56 -44(5) . . . . ?
N1' N1 C57' C55' -25(3) . . . . ?
N1' N1 C57' C56 167(8) . . . . ?
N1' N1 C57' C56' 55(5) . . . . ?
N1' N1 C56 C55 -74(15) . . . . ?
N1' N1 C56 C57 156.1(18) . . . . ?
N1' N1 C56 C57' -6(4) . . . . ?
N1' C57' C56 N1 12(8) . . . . ?
N1' C57' C56 C55 26(5) . . . . ?
N1' C57' C56 C57 -71(14) . . . . ?
C55' O11 C55 N1 -22.1(19) . . . . ?
C55' O11 C55 C56 -28.5(18) . . . . ?
C55' C57' N1' N1 96(8) . . . . ?
C55' C57' N1' C56 102(9) . . . . ?
C55' C57' N1' C56' -117(8) . . . . ?
C55' C57' C56 N1 -12(6) . . . . ?
C55' C57' C56 C55 1(3) . . . . ?
C55' C57' C56 C57 -96(13) . . . . ?
C55' C57' C56 N1' -25(3) . . . . ?
C55' C57' C56' N1' 22(3) . . . . ?
C55' N1' C56 N1 -33(5) . . . . ?
C55' N1' C56 C55 -18(2) . . . . ?
C55' N1' C56 C57 -75(6) . . . . ?
C55' N1' C56 C57' 134(6) . . . . ?
C55' N1' C56' C57' -142(6) . . . . ?
C56 N1 C55 O11 -53(16) . . . . ?
C56 N1 C55 C55' -67(16) . . . . ?
C56 N1 C57' N1' -167(8) . . . . ?
C56 N1 C57' C55' 168(6) . . . . ?
C56 N1 C57' C56' -112(8) . . . . ?
C56 N1 N1' C57' 10(7) . . . . ?
C56 N1 N1' C55' 153(4) . . . . ?
C56 N1 N1' C56' -38(6) . . . . ?
C56 C55 C55' O11 155.2(16) . . . . ?
C56 C55 C55' C57' 1.0(19) . . . . ?
C56 C55 C55' N1' -11.3(14) . . . . ?
C56 C57' N1' N1 -6(4) . . . . ?
C56 C57' N1' C55' -102(9) . . . . ?
C56 C57' N1' C56' 141(5) . . . . ?
C56 C57' C56' N1' -94(7) . . . . ?
C56 N1' C55' O11 8(3) . . . . ?
C56 N1' C55' C55 19(3) . . . . ?
C56 N1' C55' C57' -74(9) . . . . ?
C56 N1' C56' C57' 33(5) . . . . ?
C56' C57' N1' N1 -147(2) . . . . ?
C56' C57' N1' C55' 117(8) . . . . ?
C56' C57' N1' C56 -141(5) . . . . ?
C56' C57' C56 N1 100(7) . . . . ?
C56' C57' C56 C55 114(6) . . . . ?
C56' C57' C56 C57 17(17) . . . . ?
C56' C57' C56 N1' 88(8) . . . . ?
C56' N1' C55' O11 -177.5(18) . . . . ?
C56' N1' C55' C55 -167(2) . . . . ?
C56' N1' C55' C57' 100(10) . . . . ?
C56' N1' C56 N1 152(4) . . . . ?
C56' N1' C56 C55 167.6(19) . . . . ?
C56' N1' C56 C57 111(5) . . . . ?
C56' N1' C56 C57' -40(5) . . . . ?
C59 N2 C61 O12 -172.8(14) . . . . ?
C60 N2 C61 O12 13(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
