#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:37:20 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177793 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/77/7037756.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7037756
loop_
_publ_author_name
'Li, Jia-Jia'
'Fan, Ting-Ting'
'Qu, Xiang-Long'
'Han, Hong-Liang'
'Li, Xia'
_publ_section_title
;
 Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n =
 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence
 properties.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2924
_journal_page_last               2935
_journal_paper_doi               10.1039/c5dt04262c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C75 H31 Dy3 F20 N6 O21'
_chemical_formula_weight         2219.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-21 deposited with the CCDC.
2015-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                93.9610(10)
_cell_angle_beta                 106.5750(10)
_cell_angle_gamma                106.2460(10)
_cell_formula_units_Z            2
_cell_length_a                   14.9487(8)
_cell_length_b                   15.1983(8)
_cell_length_c                   17.8426(9)
_cell_measurement_reflns_used    9148
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      3.26
_cell_volume                     3681.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25178
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.526
_diffrn_reflns_theta_min         1.414
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.147
_exptl_absorpt_correction_T_max  0.403
_exptl_absorpt_correction_T_min  0.294
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.003
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2138
_exptl_crystal_size_max          0.402
_exptl_crystal_size_mid          0.372
_exptl_crystal_size_min          0.289
_refine_diff_density_max         1.361
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1196
_refine_ls_number_reflns         16792
_refine_ls_number_restraints     886
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0422P)²+0.3766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0880
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13680
_reflns_number_total             16792
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04262c2.cif
_cod_data_source_block           7
_cod_depositor_comments
'Adding full bibliography for 7037751--7037761.cif.'
_cod_database_code               7037756
_audit_block_doi                 10.5517/cc14bpv0
_shelx_shelxl_version_number     2014/7
_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'
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 0.49261(2) 0.21039(2) 0.08989(2) 0.02332(6) Uani 1 1 d . U . . .
Dy2 Dy 0.85135(2) 0.18958(2) 0.29050(2) 0.02320(6) Uani 1 1 d . U . . .
Dy3 Dy 0.87163(2) 0.50580(2) 0.35345(2) 0.01924(5) Uani 1 1 d . U . . .
C1 C 0.9171(4) 0.6428(3) 0.2127(3) 0.0378(11) Uani 1 1 d . U . . .
H1 H 0.9562 0.6054 0.2101 0.057 Uiso 1 1 calc R U . . .
C2 C 0.9173(4) 0.7126(4) 0.1646(3) 0.0479(14) Uani 1 1 d . U . . .
H2 H 0.9572 0.7221 0.1324 0.057 Uiso 1 1 calc R U . . .
C3 C 0.8586(4) 0.7654(4) 0.1661(3) 0.0476(14) Uani 1 1 d . U . . .
H3 H 0.8566 0.8109 0.1340 0.057 Uiso 1 1 calc R U . . .
C4 C 0.8003(4) 0.7513(3) 0.2167(3) 0.0330(10) Uani 1 1 d . U . . .
C5 C 0.7354(4) 0.8047(3) 0.2203(3) 0.0444(13) Uani 1 1 d . U . . .
H5 H 0.7318 0.8507 0.1889 0.053 Uiso 1 1 calc R U . . .
C6 C 0.6805(4) 0.7889(4) 0.2680(3) 0.0460(13) Uani 1 1 d . U . . .
H6 H 0.6375 0.8228 0.2681 0.055 Uiso 1 1 calc R U . . .
C7 C 0.6865(4) 0.7209(3) 0.3189(3) 0.0355(11) Uani 1 1 d . U . . .
C8 C 0.6323(4) 0.7039(4) 0.3727(3) 0.0474(14) Uani 1 1 d . U . . .
H8 H 0.5873 0.7353 0.3736 0.057 Uiso 1 1 calc R U . . .
C9 C 0.6453(4) 0.6423(4) 0.4229(3) 0.0485(14) Uani 1 1 d . U . . .
H9 H 0.6094 0.6310 0.4580 0.058 Uiso 1 1 calc R U . . .
C10 C 0.7137(4) 0.5960(3) 0.4209(3) 0.0353(11) Uani 1 1 d . U . . .
H10 H 0.7238 0.5553 0.4566 0.042 Uiso 1 1 calc R U . . .
C11 C 0.7514(3) 0.6691(3) 0.3191(2) 0.0256(9) Uani 1 1 d . U . . .
C12 C 0.8069(3) 0.6823(3) 0.2645(2) 0.0246(9) Uani 1 1 d . U . . .
C13 C 1.0739(5) 0.1632(5) 0.2967(4) 0.0656(18) Uani 1 1 d . U . . .
H13 H 1.0789 0.2184 0.2762 0.079 Uiso 1 1 calc R U . . .
C14 C 1.1478(6) 0.1230(6) 0.3001(4) 0.083(2) Uani 1 1 d . U . . .
H14 H 1.2021 0.1518 0.2849 0.100 Uiso 1 1 calc R U . . .
C15 C 1.1377(6) 0.0417(6) 0.3259(4) 0.086(2) Uani 1 1 d . U . . .
H15 H 1.1845 0.0122 0.3262 0.104 Uiso 1 1 calc R U . . .
C16 C 1.0592(6) -0.0011(5) 0.3524(4) 0.0676(19) Uani 1 1 d . U . . .
C17 C 1.0469(7) -0.0839(5) 0.3855(5) 0.091(3) Uani 1 1 d . U . . .
H17 H 1.0913 -0.1166 0.3867 0.109 Uiso 1 1 calc R U . . .
C18 C 0.9732(6) -0.1170(4) 0.4154(4) 0.078(2) Uani 1 1 d . U . . .
H18 H 0.9669 -0.1724 0.4356 0.094 Uiso 1 1 calc R U . . .
C19 C 0.9035(6) -0.0676(4) 0.4164(4) 0.0675(19) Uani 1 1 d . U . . .
C20 C 0.8319(6) -0.0925(4) 0.4504(4) 0.075(2) Uani 1 1 d . U . . .
H20 H 0.8270 -0.1445 0.4753 0.090 Uiso 1 1 calc R U . . .
C21 C 0.7659(6) -0.0450(5) 0.4499(4) 0.077(2) Uani 1 1 d . U . . .
H21 H 0.7175 -0.0635 0.4738 0.092 Uiso 1 1 calc R U . . .
C22 C 0.7759(5) 0.0345(4) 0.4105(3) 0.0585(16) Uani 1 1 d . U . . .
H22 H 0.7320 0.0679 0.4084 0.070 Uiso 1 1 calc R U . . .
C23 C 0.9117(5) 0.0137(3) 0.3806(3) 0.0506(15) Uani 1 1 d . U . . .
C24 C 0.9905(5) 0.0480(4) 0.3497(3) 0.0503(15) Uani 1 1 d . U . . .
C25 C 0.5149(4) 0.3152(4) -0.0708(3) 0.0436(13) Uani 1 1 d . U . . .
H25 H 0.5552 0.2784 -0.0707 0.052 Uiso 1 1 calc R U . . .
C26 C 0.5082(4) 0.3766(4) -0.1261(3) 0.0513(15) Uani 1 1 d . U . . .
H26 H 0.5431 0.3802 -0.1620 0.062 Uiso 1 1 calc R U . . .
C27 C 0.4488(4) 0.4311(4) -0.1259(3) 0.0517(15) Uani 1 1 d . U . . .
H27 H 0.4440 0.4728 -0.1615 0.062 Uiso 1 1 calc R U . . .
C28 C 0.3954(4) 0.4242(3) -0.0724(3) 0.0412(12) Uani 1 1 d . U . . .
C29 C 0.3320(5) 0.4785(4) -0.0690(3) 0.0553(15) Uani 1 1 d . U . . .
H29 H 0.3246 0.5200 -0.1044 0.066 Uiso 1 1 calc R U . . .
C30 C 0.2828(5) 0.4713(4) -0.0163(4) 0.0564(15) Uani 1 1 d . U . . .
H30 H 0.2420 0.5075 -0.0156 0.068 Uiso 1 1 calc R U . . .
C31 C 0.2933(4) 0.4073(4) 0.0392(3) 0.0422(12) Uani 1 1 d . U . . .
C32 C 0.2441(4) 0.3975(4) 0.0967(4) 0.0530(15) Uani 1 1 d . U . . .
H32 H 0.2043 0.4337 0.1009 0.064 Uiso 1 1 calc R U . . .
C33 C 0.2563(4) 0.3348(4) 0.1452(4) 0.0544(15) Uani 1 1 d . U . . .
H33 H 0.2240 0.3268 0.1829 0.065 Uiso 1 1 calc R U . . .
C34 C 0.3171(4) 0.2819(4) 0.1392(3) 0.0432(12) Uani 1 1 d . U . . .
H34 H 0.3237 0.2385 0.1729 0.052 Uiso 1 1 calc R U . . .
C35 C 0.3545(3) 0.3528(3) 0.0373(3) 0.0320(10) Uani 1 1 d . U . . .
C36 C 0.4067(3) 0.3612(3) -0.0190(3) 0.0331(10) Uani 1 1 d . U . . .
C37 C 0.7314(3) 0.2618(3) 0.1210(2) 0.0235(9) Uani 1 1 d . U . . .
C38 C 0.8150(3) 0.2984(3) 0.0882(3) 0.0273(9) Uani 1 1 d . U . . .
C39 C 0.8017(3) 0.2798(3) 0.0077(3) 0.0330(10) Uani 1 1 d . U . . .
C40 C 0.8777(4) 0.3166(4) -0.0226(3) 0.0411(12) Uani 1 1 d . U . . .
C41 C 0.9657(4) 0.3735(4) 0.0258(3) 0.0406(12) Uani 1 1 d . U . . .
C42 C 0.9807(3) 0.3916(3) 0.1061(3) 0.0353(11) Uani 1 1 d . U . . .
C43 C 0.9075(3) 0.3542(3) 0.1383(2) 0.0241(9) Uani 1 1 d . U . . .
C44 C 0.9302(3) 0.3781(3) 0.2274(2) 0.0232(9) Uani 1 1 d . U . . .
C45 C 1.0860(3) 0.6833(3) 0.4202(3) 0.0271(9) Uani 1 1 d . U . . .
C46 C 1.1408(3) 0.6357(3) 0.3802(3) 0.0288(10) Uani 1 1 d . U . . .
C47 C 1.1885(4) 0.6768(4) 0.3294(3) 0.0464(13) Uani 1 1 d . U . . .
C48 C 1.2399(4) 0.6331(5) 0.2958(3) 0.0556(16) Uani 1 1 d . U . . .
C49 C 1.2472(4) 0.5487(5) 0.3138(3) 0.0523(15) Uani 1 1 d . U . . .
C50 C 1.2012(4) 0.5069(4) 0.3648(3) 0.0389(12) Uani 1 1 d . U . . .
C51 C 1.1471(3) 0.5489(3) 0.3976(2) 0.0260(9) Uani 1 1 d . U . . .
C52 C 1.0956(3) 0.5000(3) 0.4524(2) 0.0228(9) Uani 1 1 d . U . . .
C53 C 0.7324(3) 0.2840(3) 0.3521(2) 0.0238(9) Uani 1 1 d . U . . .
C54 C 0.6523(3) 0.3180(3) 0.3665(2) 0.0256(9) Uani 1 1 d . U . . .
C55 C 0.6200(4) 0.2967(4) 0.4295(3) 0.0397(12) Uani 1 1 d . U . . .
C56 C 0.5478(4) 0.3282(5) 0.4435(3) 0.0540(15) Uani 1 1 d . U . . .
C57 C 0.5037(4) 0.3786(4) 0.3928(4) 0.0540(15) Uani 1 1 d . U . . .
C58 C 0.5335(4) 0.3971(4) 0.3279(3) 0.0382(11) Uani 1 1 d . U . . .
C59 C 0.6075(3) 0.3681(3) 0.3138(2) 0.0241(9) Uani 1 1 d . U . . .
C60 C 0.6373(3) 0.3909(3) 0.2407(2) 0.0230(9) Uani 1 1 d . U . . .
C61 C 0.3018(4) 0.0147(3) 0.0154(3) 0.0371(11) Uani 1 1 d . U . . .
C62 C 0.1988(3) -0.0307(3) 0.0166(3) 0.0301(10) Uani 1 1 d . U . . .
C63 C 0.1770(4) -0.0341(4) 0.0872(3) 0.0450(13) Uani 1 1 d . U . . .
C64 C 0.0842(4) -0.0757(4) 0.0890(3) 0.0480(14) Uani 1 1 d . U . . .
C65 C 0.0092(4) -0.1143(4) 0.0190(3) 0.0423(13) Uani 1 1 d . U . . .
C66 C 0.0290(3) -0.1110(3) -0.0514(3) 0.0365(11) Uani 1 1 d . U . . .
C67 C 0.1230(3) -0.0690(3) -0.0541(3) 0.0276(9) Uani 1 1 d . U . . .
C68 C 0.1430(3) -0.0651(3) -0.1322(3) 0.0308(10) Uani 1 1 d . U . . .
C69 C 0.4913(3) 0.1072(3) 0.2116(3) 0.0373(12) Uani 1 1 d D U . . .
F1 F 0.7169(2) 0.2254(2) -0.04428(16) 0.0540(9) Uani 1 1 d . U . . .
F2 F 0.8633(3) 0.2967(3) -0.10081(18) 0.0703(11) Uani 1 1 d . U . . .
F3 F 1.0374(2) 0.4130(3) -0.00423(19) 0.0728(12) Uani 1 1 d . U . . .
F4 F 1.0685(2) 0.4492(2) 0.15354(18) 0.0597(10) Uani 1 1 d . U . . .
F5 F 1.1829(3) 0.7603(2) 0.3110(2) 0.0721(11) Uani 1 1 d . U . . .
F6 F 1.2836(3) 0.6733(3) 0.2452(2) 0.0985(15) Uani 1 1 d . U . . .
F7 F 1.2984(3) 0.5067(3) 0.2812(2) 0.0864(13) Uani 1 1 d . U . . .
F8 F 1.2083(3) 0.4238(2) 0.38099(19) 0.0588(9) Uani 1 1 d . U . . .
F9 F 0.6602(2) 0.2469(2) 0.48095(18) 0.0563(9) Uani 1 1 d . U . . .
F10 F 0.5196(3) 0.3098(4) 0.5080(2) 0.0948(15) Uani 1 1 d . U . . .
F11 F 0.4337(3) 0.4091(3) 0.4069(2) 0.0927(15) Uani 1 1 d . U . . .
F12 F 0.4891(2) 0.4463(2) 0.27818(19) 0.0551(8) Uani 1 1 d . U . . .
F13 F 0.2489(3) 0.0022(3) 0.15672(19) 0.0783(12) Uani 1 1 d . U . . .
F14 F 0.0657(3) -0.0800(3) 0.1577(2) 0.0860(14) Uani 1 1 d . U . . .
F15 F -0.0830(2) -0.1540(3) 0.0197(2) 0.0704(11) Uani 1 1 d . U . . .
F16 F -0.0469(2) -0.1477(3) -0.11824(18) 0.0592(9) Uani 1 1 d . U . . .
N1 N 0.8638(3) 0.6278(2) 0.2616(2) 0.0267(8) Uani 1 1 d . U . . .
N2 N 0.7653(3) 0.6077(2) 0.3699(2) 0.0262(8) Uani 1 1 d . U . . .
N3 N 0.9982(4) 0.1288(3) 0.3203(2) 0.0473(11) Uani 1 1 d . U . . .
N4 N 0.8448(4) 0.0622(3) 0.3772(2) 0.0447(11) Uani 1 1 d . U . . .
N6 N 0.3660(3) 0.2908(3) 0.0873(2) 0.0309(8) Uani 1 1 d . U . . .
N5 N 0.4657(3) 0.3074(3) -0.0182(2) 0.0325(9) Uani 1 1 d . U . . .
O1 O 0.6473(2) 0.2520(2) 0.07555(18) 0.0349(8) Uani 1 1 d . U . . .
O2 O 0.7511(2) 0.2475(2) 0.19088(17) 0.0285(7) Uani 1 1 d . U . . .
O3 O 0.9192(2) 0.4531(2) 0.25032(17) 0.0288(7) Uani 1 1 d . U . . .
O4 O 0.9598(2) 0.3243(2) 0.27018(16) 0.0264(6) Uani 1 1 d . U . . .
O5 O 0.9987(2) 0.6371(2) 0.41163(18) 0.0317(7) Uani 1 1 d . U . . .
O6 O 1.1300(2) 0.7613(2) 0.4600(2) 0.0404(8) Uani 1 1 d . U . . .
O7 O 1.1501(2) 0.5076(2) 0.52271(16) 0.0297(7) Uani 1 1 d . U . . .
O8 O 1.0065(2) 0.4561(2) 0.42466(16) 0.0251(6) Uani 1 1 d . U . . .
O9 O 0.8085(2) 0.34248(19) 0.34750(17) 0.0264(6) Uani 1 1 d . U . . .
O10 O 0.7197(2) 0.1985(2) 0.34149(18) 0.0308(7) Uani 1 1 d . U . . .
O11 O 0.7184(2) 0.4505(2) 0.25132(17) 0.0290(7) Uani 1 1 d . U . . .
O12 O 0.5757(2) 0.3509(2) 0.17470(18) 0.0307(7) Uani 1 1 d . U . . .
O13 O 0.3417(2) 0.0978(2) 0.0486(2) 0.0399(8) Uani 1 1 d . U . . .
O14 O 0.3390(3) -0.0332(3) -0.0185(3) 0.0561(11) Uani 1 1 d . U . . .
O15 O 0.1819(3) 0.0122(2) -0.1463(2) 0.0584(12) Uani 1 1 d . U . . .
O16 O 0.1217(2) -0.1419(2) -0.17459(18) 0.0321(7) Uani 1 1 d . U . . .
O17 O 0.4632(3) 0.1772(2) 0.21273(19) 0.0431(9) Uani 1 1 d . U . . .
O18 O 0.5340(3) 0.0903(2) 0.1629(2) 0.0440(9) Uani 1 1 d . U . . .
O19 O 0.4954(3) 0.1091(2) -0.01957(19) 0.0419(8) Uani 1 1 d D U . . .
H19A H 0.5559 0.1272 -0.0163 0.063 Uiso 1 1 d DR U . . .
H19B H 0.4539 0.0625 -0.0145 0.063 Uiso 1 1 d DR U . . .
O20 O 0.9553(2) 0.2591(2) 0.42087(17) 0.0356(8) Uani 1 1 d . U . . .
H20A H 0.9352 0.2486 0.4485 0.053 Uiso 1 1 d R U . . .
H20B H 0.9805 0.3120 0.4310 0.053 Uiso 1 1 d R U . . .
O21 O 0.7109(2) 0.0543(2) 0.22480(18) 0.0334(7) Uani 1 1 d . U . . .
H21A H 0.6532 0.0462 0.1995 0.050 Uiso 1 1 d R U . . .
H21B H 0.7355 0.0248 0.2020 0.050 Uiso 1 1 d R U . . .
C70A C 0.4719(12) 0.0529(8) 0.2754(7) 0.058(2) Uani 0.377(7) 1 d DG U P A 1
C71A C 0.4385(11) 0.0862(7) 0.3332(8) 0.059(2) Uani 0.377(7) 1 d G U P A 1
H71A H 0.4265 0.1430 0.3323 0.071 Uiso 0.377(7) 1 calc R U P A 1
C72A C 0.4229(10) 0.0345(8) 0.3922(6) 0.059(2) Uani 0.377(7) 1 d G U P A 1
C73A C 0.4408(9) -0.0504(8) 0.3935(6) 0.059(2) Uani 0.377(7) 1 d G U P A 1
C74A C 0.4742(9) -0.0837(6) 0.3357(7) 0.059(2) Uani 0.377(7) 1 d G U P A 1
C75A C 0.4898(10) -0.0320(8) 0.2767(6) 0.059(2) Uani 0.377(7) 1 d G U P A 1
F17A F 0.3891(15) 0.0670(15) 0.4491(10) 0.146(7) Uani 0.377(7) 1 d . U P A 1
F18A F 0.4255(12) -0.1008(14) 0.4516(10) 0.144(7) Uani 0.377(7) 1 d . U P A 1
F19A F 0.4907(13) -0.1628(12) 0.3386(13) 0.146(7) Uani 0.377(7) 1 d . U P A 1
F20A F 0.5011(15) -0.0823(11) 0.2114(13) 0.171(8) Uani 0.377(7) 1 d . U P A 1
C70B C 0.4708(7) 0.0319(5) 0.2605(5) 0.0605(16) Uani 0.623(7) 1 d DG U P A 2
C75B C 0.4389(6) 0.0464(4) 0.3249(5) 0.0619(16) Uani 0.623(7) 1 d G U P A 2
C74B C 0.4169(6) -0.0247(5) 0.3681(4) 0.0629(16) Uani 0.623(7) 1 d G U P A 2
C73B C 0.4269(5) -0.1103(4) 0.3470(4) 0.0629(16) Uani 0.623(7) 1 d G U P A 2
C72B C 0.4589(6) -0.1249(4) 0.2827(5) 0.0622(16) Uani 0.623(7) 1 d G U P A 2
C71B C 0.4809(6) -0.0538(5) 0.2394(4) 0.0612(16) Uani 0.623(7) 1 d G U P A 2
H71B H 0.5023 -0.0635 0.1964 0.073 Uiso 0.623(7) 1 calc R U P A 2
F17B F 0.4633(6) -0.2094(5) 0.2618(7) 0.105(3) Uani 0.623(7) 1 d . U P A 2
F18B F 0.4081(7) -0.1784(8) 0.3899(6) 0.133(4) Uani 0.623(7) 1 d . U P A 2
F19B F 0.3864(9) -0.0103(8) 0.4288(5) 0.143(4) Uani 0.623(7) 1 d . U P A 2
F20B F 0.4189(7) 0.1287(5) 0.3434(4) 0.107(3) Uani 0.623(7) 1 d . U P A 2
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'
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
O13 Dy1 O1 143.61(11) . .
O13 Dy1 O12 140.37(11) . .
O1 Dy1 O12 76.01(11) . .
O13 Dy1 O17 76.84(12) . .
O1 Dy1 O17 123.39(12) . .
O12 Dy1 O17 76.89(11) . .
O13 Dy1 O19 74.66(11) . .
O1 Dy1 O19 69.48(11) . .
O12 Dy1 O19 144.22(11) . .
O17 Dy1 O19 130.74(11) . .
O13 Dy1 O18 80.28(12) . .
O1 Dy1 O18 88.85(11) . .
O12 Dy1 O18 106.72(12) . .
O17 Dy1 O18 53.83(12) . .
O19 Dy1 O18 82.18(12) . .
O13 Dy1 N6 72.85(12) . .
O1 Dy1 N6 135.22(12) . .
O12 Dy1 N6 74.03(11) . .
O17 Dy1 N6 80.64(12) . .
O19 Dy1 N6 126.18(12) . .
O18 Dy1 N6 131.40(12) . .
O13 Dy1 N5 99.30(13) . .
O1 Dy1 N5 80.46(12) . .
O12 Dy1 N5 85.64(12) . .
O17 Dy1 N5 144.54(12) . .
O19 Dy1 N5 79.74(12) . .
O18 Dy1 N5 161.31(12) . .
N6 Dy1 N5 64.85(12) . .
O13 Dy1 C69 74.49(13) . .
O1 Dy1 C69 109.44(13) . .
O12 Dy1 C69 94.01(13) . .
O17 Dy1 C69 26.81(13) . .
O19 Dy1 C69 105.92(14) . .
O18 Dy1 C69 27.26(13) . .
N6 Dy1 C69 105.16(14) . .
N5 Dy1 C69 169.73(14) . .
O16 Dy2 O4 76.36(10) 2_655 .
O16 Dy2 O2 75.40(11) 2_655 .
O4 Dy2 O2 75.27(10) . .
O16 Dy2 O20 134.14(11) 2_655 .
O4 Dy2 O20 77.03(11) . .
O2 Dy2 O20 131.26(11) . .
O16 Dy2 O21 75.38(10) 2_655 .
O4 Dy2 O21 144.15(10) . .
O2 Dy2 O21 76.61(10) . .
O20 Dy2 O21 138.81(11) . .
O16 Dy2 O10 141.21(11) 2_655 .
O4 Dy2 O10 120.89(10) . .
O2 Dy2 O10 76.46(10) . .
O20 Dy2 O10 84.64(11) . .
O21 Dy2 O10 72.54(10) . .
O16 Dy2 N3 68.86(12) 2_655 .
O4 Dy2 N3 85.04(13) . .
O2 Dy2 N3 142.36(12) . .
O20 Dy2 N3 72.23(12) . .
O21 Dy2 N3 104.62(13) . .
O10 Dy2 N3 140.60(12) . .
O16 Dy2 N4 110.40(13) 2_655 .
O4 Dy2 N4 142.01(12) . .
O2 Dy2 N4 142.58(13) . .
O20 Dy2 N4 72.24(12) . .
O21 Dy2 N4 69.81(12) . .
O10 Dy2 N4 78.11(13) . .
N3 Dy2 N4 64.80(16) . .
O16 Dy2 O9 134.82(10) 2_655 .
O4 Dy2 O9 71.80(9) . .
O2 Dy2 O9 66.16(9) . .
O20 Dy2 O9 67.43(9) . .
O21 Dy2 O9 115.58(10) . .
O10 Dy2 O9 49.36(9) . .
N3 Dy2 O9 136.85(12) . .
N4 Dy2 O9 114.49(12) . .
O16 Dy2 C53 142.73(11) 2_655 .
O4 Dy2 C53 96.51(10) . .
O2 Dy2 C53 67.45(10) . .
O20 Dy2 C53 76.89(11) . .
O21 Dy2 C53 92.81(11) . .
O10 Dy2 C53 24.39(10) . .
N3 Dy2 C53 147.90(12) . .
N4 Dy2 C53 97.71(13) . .
O9 Dy2 C53 25.14(9) . .
O5 Dy3 O3 101.30(11) . .
O5 Dy3 O7 88.18(11) . 2_766
O3 Dy3 O7 149.72(10) . 2_766
O5 Dy3 O11 141.81(11) . .
O3 Dy3 O11 79.41(11) . .
O7 Dy3 O11 110.52(10) 2_766 .
O5 Dy3 O9 146.22(11) . .
O3 Dy3 O9 79.59(10) . .
O7 Dy3 O9 76.89(10) 2_766 .
O11 Dy3 O9 71.90(10) . .
O5 Dy3 O8 73.90(10) . .
O3 Dy3 O8 78.89(10) . .
O7 Dy3 O8 76.26(10) 2_766 .
O11 Dy3 O8 141.53(10) . .
O9 Dy3 O8 73.19(10) . .
O5 Dy3 N1 71.18(11) . .
O3 Dy3 N1 75.70(10) . .
O7 Dy3 N1 134.30(11) 2_766 .
O11 Dy3 N1 72.12(11) . .
O9 Dy3 N1 139.29(11) . .
O8 Dy3 N1 131.14(10) . .
O5 Dy3 N2 84.08(11) . .
O3 Dy3 N2 135.54(11) . .
O7 Dy3 N2 73.57(10) 2_766 .
O11 Dy3 N2 70.77(11) . .
O9 Dy3 N2 119.16(10) . .
O8 Dy3 N2 142.94(10) . .
N1 Dy3 N2 64.31(11) . .
N1 C1 C2 123.3(5) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C3 C2 C1 118.8(5) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
C2 C3 C4 119.7(5) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C12 C4 C3 117.8(5) . .
C12 C4 C5 119.9(4) . .
C3 C4 C5 122.3(4) . .
C6 C5 C4 120.9(4) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 121.1(5) . .
C5 C6 H6 119.4 . .
C7 C6 H6 119.4 . .
C11 C7 C8 116.7(4) . .
C11 C7 C6 119.9(4) . .
C8 C7 C6 123.3(5) . .
C9 C8 C7 120.7(5) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 118.8(5) . .
C8 C9 H9 120.6 . .
C10 C9 H9 120.6 . .
N2 C10 C9 123.1(4) . .
N2 C10 H10 118.4 . .
C9 C10 H10 118.4 . .
N2 C11 C7 122.7(4) . .
N2 C11 C12 118.2(4) . .
C7 C11 C12 119.1(4) . .
N1 C12 C4 122.6(4) . .
N1 C12 C11 118.5(4) . .
C4 C12 C11 119.0(4) . .
N3 C13 C14 124.5(7) . .
N3 C13 H13 117.8 . .
C14 C13 H13 117.8 . .
C15 C14 C13 117.3(8) . .
C15 C14 H14 121.3 . .
C13 C14 H14 121.3 . .
C14 C15 C16 122.5(7) . .
C14 C15 H15 118.7 . .
C16 C15 H15 118.7 . .
C15 C16 C17 125.8(7) . .
C15 C16 C24 115.4(7) . .
C17 C16 C24 118.7(8) . .
C18 C17 C16 122.3(7) . .
C18 C17 H17 118.9 . .
C16 C17 H17 118.9 . .
C17 C18 C19 120.9(7) . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C20 C19 C23 117.5(7) . .
C20 C19 C18 124.6(7) . .
C23 C19 C18 117.9(7) . .
C19 C20 C21 123.5(6) . .
C19 C20 H20 118.2 . .
C21 C20 H20 118.2 . .
C20 C21 C22 116.3(7) . .
C20 C21 H21 121.8 . .
C22 C21 H21 121.8 . .
N4 C22 C21 122.6(7) . .
N4 C22 H22 118.7 . .
C21 C22 H22 118.7 . .
N4 C23 C19 120.5(6) . .
N4 C23 C24 119.1(5) . .
C19 C23 C24 120.3(6) . .
N3 C24 C16 122.3(6) . .
N3 C24 C23 117.9(5) . .
C16 C24 C23 119.8(6) . .
N5 C25 C26 122.9(5) . .
N5 C25 H25 118.6 . .
C26 C25 H25 118.6 . .
C27 C26 C25 118.4(5) . .
C27 C26 H26 120.8 . .
C25 C26 H26 120.8 . .
C26 C27 C28 120.4(5) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C27 C28 C36 117.4(5) . .
C27 C28 C29 123.4(5) . .
C36 C28 C29 119.2(5) . .
C30 C29 C28 122.1(5) . .
C30 C29 H29 119.0 . .
C28 C29 H29 119.0 . .
C29 C30 C31 119.8(5) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C35 C31 C32 118.0(5) . .
C35 C31 C30 119.6(5) . .
C32 C31 C30 122.4(5) . .
C33 C32 C31 118.6(5) . .
C33 C32 H32 120.7 . .
C31 C32 H32 120.7 . .
C32 C33 C34 120.3(5) . .
C32 C33 H33 119.9 . .
C34 C33 H33 119.9 . .
N6 C34 C33 122.7(5) . .
N6 C34 H34 118.7 . .
C33 C34 H34 118.7 . .
N6 C35 C31 122.1(4) . .
N6 C35 C36 117.8(4) . .
C31 C35 C36 120.0(4) . .
N5 C36 C28 122.8(5) . .
N5 C36 C35 117.9(4) . .
C28 C36 C35 119.2(5) . .
O2 C37 O1 125.3(4) . .
O2 C37 C38 118.6(4) . .
O1 C37 C38 116.0(4) . .
C39 C38 C43 118.3(4) . .
C39 C38 C37 121.1(4) . .
C43 C38 C37 120.6(4) . .
F1 C39 C38 122.6(4) . .
F1 C39 C40 116.5(4) . .
C38 C39 C40 120.9(4) . .
F2 C40 C41 119.8(4) . .
F2 C40 C39 119.8(5) . .
C41 C40 C39 120.4(4) . .
F3 C41 C40 120.3(4) . .
F3 C41 C42 120.3(5) . .
C40 C41 C42 119.5(4) . .
F4 C42 C41 118.8(4) . .
F4 C42 C43 119.6(4) . .
C41 C42 C43 121.6(4) . .
C42 C43 C38 119.3(4) . .
C42 C43 C44 118.1(4) . .
C38 C43 C44 122.6(4) . .
O4 C44 O3 126.4(4) . .
O4 C44 C43 118.2(4) . .
O3 C44 C43 115.3(4) . .
O6 C45 O5 125.3(4) . .
O6 C45 C46 118.9(4) . .
O5 C45 C46 115.8(4) . .
C47 C46 C51 118.6(4) . .
C47 C46 C45 122.3(4) . .
C51 C46 C45 119.0(4) . .
F5 C47 C48 119.2(5) . .
F5 C47 C46 119.8(5) . .
C48 C47 C46 121.0(5) . .
F6 C48 C49 119.7(5) . .
F6 C48 C47 119.9(6) . .
C49 C48 C47 120.4(5) . .
F7 C49 C48 120.0(5) . .
F7 C49 C50 120.4(6) . .
C48 C49 C50 119.7(5) . .
F8 C50 C49 118.8(5) . .
F8 C50 C51 120.5(4) . .
C49 C50 C51 120.7(5) . .
C50 C51 C46 119.7(4) . .
C50 C51 C52 119.3(4) . .
C46 C51 C52 121.0(4) . .
O8 C52 O7 126.6(4) . .
O8 C52 C51 118.3(4) . .
O7 C52 C51 115.1(4) . .
O10 C53 O9 121.9(4) . .
O10 C53 C54 119.3(4) . .
O9 C53 C54 118.8(4) . .
O10 C53 Dy2 53.1(2) . .
O9 C53 Dy2 69.4(2) . .
C54 C53 Dy2 166.3(3) . .
C55 C54 C59 119.3(4) . .
C55 C54 C53 120.4(4) . .
C59 C54 C53 120.2(4) . .
F9 C55 C54 121.1(4) . .
F9 C55 C56 118.0(4) . .
C54 C55 C56 120.8(5) . .
F10 C56 C57 119.3(5) . .
F10 C56 C55 120.1(5) . .
C57 C56 C55 120.6(5) . .
F11 C57 C56 120.2(5) . .
F11 C57 C58 121.1(5) . .
C56 C57 C58 118.6(5) . .
F12 C58 C57 118.0(4) . .
F12 C58 C59 120.3(4) . .
C57 C58 C59 121.7(5) . .
C58 C59 C54 118.9(4) . .
C58 C59 C60 119.2(4) . .
C54 C59 C60 121.9(4) . .
O11 C60 O12 125.5(4) . .
O11 C60 C59 117.6(4) . .
O12 C60 C59 116.8(4) . .
O14 C61 O13 126.3(4) . .
O14 C61 C62 117.5(4) . .
O13 C61 C62 116.2(4) . .
C67 C62 C63 118.6(4) . .
C67 C62 C61 119.9(4) . .
C63 C62 C61 121.5(4) . .
F13 C63 C64 118.0(4) . .
F13 C63 C62 120.1(5) . .
C64 C63 C62 122.0(5) . .
F14 C64 C63 120.7(5) . .
F14 C64 C65 119.8(5) . .
C63 C64 C65 119.5(4) . .
F15 C65 C66 120.3(5) . .
F15 C65 C64 120.2(4) . .
C66 C65 C64 119.5(4) . .
F16 C66 C65 117.3(4) . .
F16 C66 C67 121.0(4) . .
C65 C66 C67 121.6(4) . .
C66 C67 C62 118.9(4) . .
C66 C67 C68 120.8(4) . .
C62 C67 C68 120.3(4) . .
O15 C68 O16 126.9(4) . .
O15 C68 C67 117.3(4) . .
O16 C68 C67 115.8(4) . .
O17 C69 O18 121.4(4) . .
O17 C69 C70A 111.5(6) . .
O18 C69 C70A 127.0(7) . .
O17 C69 C70B 124.7(5) . .
O18 C69 C70B 113.7(5) . .
O17 C69 Dy1 60.7(2) . .
O18 C69 Dy1 61.5(2) . .
C70A C69 Dy1 169.3(6) . .
C70B C69 Dy1 165.0(5) . .
C1 N1 C12 117.8(4) . .
C1 N1 Dy3 122.6(3) . .
C12 N1 Dy3 119.6(3) . .
C10 N2 C11 117.9(4) . .
C10 N2 Dy3 122.7(3) . .
C11 N2 Dy3 119.0(3) . .
C13 N3 C24 117.9(5) . .
C13 N3 Dy2 122.6(4) . .
C24 N3 Dy2 118.5(4) . .
C22 N4 C23 119.4(5) . .
C22 N4 Dy2 123.6(4) . .
C23 N4 Dy2 116.6(4) . .
C34 N6 C35 118.3(4) . .
C34 N6 Dy1 121.9(3) . .
C35 N6 Dy1 119.4(3) . .
C25 N5 C36 118.1(4) . .
C25 N5 Dy1 122.4(3) . .
C36 N5 Dy1 119.2(3) . .
C37 O1 Dy1 133.8(3) . .
C37 O2 Dy2 145.6(3) . .
C44 O3 Dy3 134.7(3) . .
C44 O4 Dy2 122.1(3) . .
C45 O5 Dy3 147.3(3) . .
C52 O7 Dy3 136.5(3) . 2_766
C52 O8 Dy3 130.0(3) . .
C53 O9 Dy3 138.4(3) . .
C53 O9 Dy2 85.4(2) . .
Dy3 O9 Dy2 134.79(11) . .
C53 O10 Dy2 102.5(3) . .
C60 O11 Dy3 136.4(3) . .
C60 O12 Dy1 145.8(3) . .
C61 O13 Dy1 140.4(3) . .
C68 O16 Dy2 134.6(3) . 2_655
C69 O17 Dy1 92.5(3) . .
C69 O18 Dy1 91.2(3) . .
Dy1 O19 H19A 102.2 . .
Dy1 O19 H19B 95.7 . .
H19A O19 H19B 139.1 . .
Dy2 O20 H20A 114.3 . .
Dy2 O20 H20B 120.3 . .
H20A O20 H20B 105.0 . .
Dy2 O21 H21A 134.5 . .
Dy2 O21 H21B 100.6 . .
H21A O21 H21B 111.6 . .
C71A C70A C75A 120.0 . .
C71A C70A C69 121.6(8) . .
C75A C70A C69 118.3(8) . .
C72A C71A C70A 120.0 . .
C72A C71A H71A 120.0 . .
C70A C71A H71A 120.0 . .
F17A C72A C73A 119.9(11) . .
F17A C72A C71A 120.1(11) . .
C73A C72A C71A 120.0 . .
F18A C73A C72A 119.8(13) . .
F18A C73A C74A 120.2(13) . .
C72A C73A C74A 120.0 . .
F19A C74A C75A 121.4(12) . .
F19A C74A C73A 118.6(12) . .
C75A C74A C73A 120.0 . .
C74A C75A C70A 120.0 . .
C74A C75A F20A 114.3(10) . .
C70A C75A F20A 124.0(10) . .
C75B C70B C71B 120.0 . .
C75B C70B C69 120.4(5) . .
C71B C70B C69 119.5(5) . .
C74B C75B C70B 120.0 . .
C74B C75B F20B 118.1(5) . .
C70B C75B F20B 121.6(5) . .
F19B C74B C73B 120.4(7) . .
F19B C74B C75B 119.6(7) . .
C73B C74B C75B 120.0 . .
F18B C73B C74B 120.2(7) . .
F18B C73B C72B 119.8(7) . .
C74B C73B C72B 120.0 . .
F17B C72B C71B 121.5(6) . .
F17B C72B C73B 118.4(6) . .
C71B C72B C73B 120.0 . .
C72B C71B C70B 120.0 . .
C72B C71B H71B 120.0 . .
C70B C71B H71B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O13 2.297(3) .
Dy1 O1 2.313(3) .
Dy1 O12 2.322(3) .
Dy1 O17 2.415(3) .
Dy1 O19 2.419(3) .
Dy1 O18 2.431(3) .
Dy1 N6 2.516(4) .
Dy1 N5 2.517(4) .
Dy1 C69 2.765(5) .
Dy2 O16 2.324(3) 2_655
Dy2 O4 2.352(3) .
Dy2 O2 2.369(3) .
Dy2 O20 2.371(3) .
Dy2 O21 2.420(3) .
Dy2 O10 2.424(3) .
Dy2 N3 2.549(4) .
Dy2 N4 2.559(4) .
Dy2 O9 2.779(3) .
Dy2 C53 2.958(4) .
Dy3 O5 2.266(3) .
Dy3 O3 2.322(3) .
Dy3 O7 2.338(3) 2_766
Dy3 O11 2.368(3) .
Dy3 O9 2.379(3) .
Dy3 O8 2.402(3) .
Dy3 N1 2.563(3) .
Dy3 N2 2.567(4) .
C1 N1 1.331(5) .
C1 C2 1.409(7) .
C1 H1 0.9300 .
C2 C3 1.349(8) .
C2 H2 0.9300 .
C3 C4 1.411(7) .
C3 H3 0.9300 .
C4 C12 1.403(6) .
C4 C5 1.439(7) .
C5 C6 1.331(7) .
C5 H5 0.9300 .
C6 C7 1.426(7) .
C6 H6 0.9300 .
C7 C11 1.411(6) .
C7 C8 1.416(7) .
C8 C9 1.354(7) .
C8 H8 0.9300 .
C9 C10 1.400(7) .
C9 H9 0.9300 .
C10 N2 1.341(5) .
C10 H10 0.9300 .
C11 N2 1.362(5) .
C11 C12 1.440(6) .
C12 N1 1.351(5) .
C13 N3 1.305(8) .
C13 C14 1.394(9) .
C13 H13 0.9300 .
C14 C15 1.333(11) .
C14 H14 0.9300 .
C15 C16 1.398(11) .
C15 H15 0.9300 .
C16 C17 1.415(10) .
C16 C24 1.421(8) .
C17 C18 1.347(11) .
C17 H17 0.9300 .
C18 C19 1.448(10) .
C18 H18 0.9300 .
C19 C20 1.353(10) .
C19 C23 1.421(8) .
C20 C21 1.373(10) .
C20 H20 0.9300 .
C21 C22 1.433(8) .
C21 H21 0.9300 .
C22 N4 1.316(7) .
C22 H22 0.9300 .
C23 N4 1.390(7) .
C23 C24 1.425(9) .
C24 N3 1.356(7) .
C25 N5 1.340(6) .
C25 C26 1.407(7) .
C25 H25 0.9300 .
C26 C27 1.374(8) .
C26 H26 0.9300 .
C27 C28 1.400(8) .
C27 H27 0.9300 .
C28 C36 1.407(6) .
C28 C29 1.430(8) .
C29 C30 1.341(8) .
C29 H29 0.9300 .
C30 C31 1.442(7) .
C30 H30 0.9300 .
C31 C35 1.401(7) .
C31 C32 1.416(7) .
C32 C33 1.346(8) .
C32 H32 0.9300 .
C33 C34 1.392(7) .
C33 H33 0.9300 .
C34 N6 1.326(6) .
C34 H34 0.9300 .
C35 N6 1.354(6) .
C35 C36 1.430(6) .
C36 N5 1.358(6) .
C37 O2 1.246(5) .
C37 O1 1.248(5) .
C37 C38 1.512(6) .
C38 C39 1.390(6) .
C38 C43 1.402(6) .
C39 F1 1.336(5) .
C39 C40 1.391(6) .
C40 F2 1.349(5) .
C40 C41 1.355(7) .
C41 F3 1.345(5) .
C41 C42 1.380(6) .
C42 F4 1.352(5) .
C42 C43 1.382(6) .
C43 C44 1.522(6) .
C44 O4 1.243(5) .
C44 O3 1.254(5) .
C45 O6 1.235(5) .
C45 O5 1.257(5) .
C45 C46 1.515(6) .
C46 C47 1.385(6) .
C46 C51 1.397(6) .
C47 F5 1.351(6) .
C47 C48 1.371(8) .
C48 F6 1.345(6) .
C48 C49 1.370(8) .
C49 F7 1.346(6) .
C49 C50 1.377(7) .
C50 F8 1.340(6) .
C50 C51 1.383(6) .
C51 C52 1.521(6) .
C52 O8 1.243(5) .
C52 O7 1.262(5) .
C53 O10 1.251(5) .
C53 O9 1.261(5) .
C53 C54 1.506(6) .
C54 C55 1.370(6) .
C54 C59 1.392(6) .
C55 F9 1.345(5) .
C55 C56 1.373(7) .
C56 F10 1.354(6) .
C56 C57 1.370(8) .
C57 F11 1.334(6) .
C57 C58 1.375(7) .
C58 F12 1.349(5) .
C58 C59 1.377(6) .
C59 C60 1.525(6) .
C60 O11 1.248(5) .
C60 O12 1.254(5) .
C61 O14 1.251(6) .
C61 O13 1.255(5) .
C61 C62 1.508(6) .
C62 C67 1.388(6) .
C62 C63 1.390(6) .
C63 F13 1.346(6) .
C63 C64 1.365(7) .
C64 F14 1.333(6) .
C64 C65 1.375(7) .
C65 F15 1.346(5) .
C65 C66 1.373(6) .
C66 F16 1.343(5) .
C66 C67 1.386(6) .
C67 C68 1.508(6) .
C68 O15 1.235(5) .
C68 O16 1.252(5) .
C69 O17 1.248(6) .
C69 O18 1.267(6) .
C69 C70A 1.500(8) .
C69 C70B 1.504(6) .
O7 Dy3 2.338(3) 2_766
O16 Dy2 2.324(3) 2_655
O19 H19A 0.8512 .
O19 H19B 0.8308 .
O20 H20A 0.6534 .
O20 H20B 0.7696 .
O21 H21A 0.8207 .
O21 H21B 0.8091 .
C70A C71A 1.3900 .
C70A C75A 1.3900 .
C71A C72A 1.3900 .
C71A H71A 0.9300 .
C72A F17A 1.375(17) .
C72A C73A 1.3900 .
C73A F18A 1.365(13) .
C73A C74A 1.3900 .
C74A F19A 1.295(16) .
C74A C75A 1.3900 .
C75A F20A 1.42(2) .
C70B C75B 1.3900 .
C70B C71B 1.3900 .
C75B C74B 1.3900 .
C75B F20B 1.403(10) .
C74B F19B 1.316(10) .
C74B C73B 1.3900 .
C73B F18B 1.344(7) .
C73B C72B 1.3900 .
C72B F17B 1.338(9) .
C72B C71B 1.3900 .
C71B H71B 0.9300 .
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
C1 H1 O3 0.93 2.43 3.011(6) 120.4 .
C9 H9 F10 0.93 2.54 3.277(6) 136.2 2_666
C10 H10 O7 0.93 2.29 2.914(6) 123.5 2_766
C21 H21 F17A 0.93 2.38 3.281(16) 164.2 2_656
C22 H22 O10 0.93 2.41 3.072(7) 128.1 .
C34 H34 O17 0.93 2.46 3.102(7) 126.2 .
O19 H19A O1 0.85 2.23 2.698(4) 114.2 .
O19 H19A O14 0.85 2.39 2.943(5) 123.1 2_655
O19 H19B O13 0.83 2.42 2.861(5) 113.9 .
O19 H19B O14 0.83 1.89 2.711(5) 167.1 .
O20 H20A O6 0.65 2.12 2.768(5) 170.1 2_766
O20 H20B O8 0.77 2.13 2.867(4) 159.8 .
O21 H21A O18 0.82 2.03 2.783(5) 152.4 .
O21 H21A F20A 0.82 2.62 3.17(2) 125.8 .
O21 H21B O15 0.81 1.96 2.746(5) 164.1 2_655
