#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:02:01 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228993 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/97/7229747.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_7229747
loop_
_publ_author_name
'Zhu, Mei'
'Jia, Lingjie'
'Li, Yang'
'Li, Yungai'
'Zhang, Li'
'Zhang, Wei'
'Lü, Yaohong'
_publ_section_title
;
 Nitronyl nitroxide bridged 3d--4f hetero-tri-spin chains: synthesis
 strategy, crystal structure and magnetic properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              420
_journal_paper_doi               10.1039/C7CE01962A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C115 H97 Cu Dy3 F66 N8 O35'
_chemical_formula_weight         3956.06
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-09-21 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                91.0330(10)
_cell_angle_beta                 107.294(2)
_cell_angle_gamma                114.857(2)
_cell_formula_units_Z            2
_cell_length_a                   19.990(4)
_cell_length_b                   20.024(3)
_cell_length_c                   21.706(4)
_cell_measurement_reflns_used    23961
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.4
_cell_volume                     7424(2)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_sigmaI/netI    0.0959
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            62837
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.790
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_platon_squeeze_details
; 
 The contribution to the diffraction pattern from the two water molecules 
 of crystallization, which are located in the channels of the lattice, 
 were subtracted from the observed data. 
;
_refine_diff_density_max         1.011
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2064
_refine_ls_number_reflns         26100
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1420
_reflns_number_gt                21863
_reflns_number_total             26100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01962a2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7229746--7229753.cif.
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7229747
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy2 Dy 0.769359(17) 0.105561(15) 0.208078(13) 0.01591(8) Uani 1 1 d .
Dy3 Dy 0.291952(17) 0.604652(16) 0.235264(14) 0.01760(8) Uani 1 1 d .
Dy1 Dy 1.003243(17) -0.163351(16) 0.205088(13) 0.01667(8) Uani 1 1 d .
Cu1 Cu 0.55046(5) 0.35585(4) 0.28879(4) 0.02126(18) Uani 1 1 d .
O22 O 0.4580(3) 0.3369(2) 0.2150(2) 0.0258(10) Uani 1 1 d .
O3 O 1.0912(2) -0.1225(2) 0.3156(2) 0.0198(9) Uani 1 1 d .
O14 O 0.7335(2) 0.0844(2) 0.09277(19) 0.0174(9) Uani 1 1 d .
O21 O 0.4903(3) 0.3042(2) 0.3432(2) 0.0231(10) Uani 1 1 d .
O20 O 0.6412(2) 0.4008(2) 0.3671(2) 0.0210(10) Uani 1 1 d .
F19 F 0.8475(2) -0.0669(2) 0.3459(2) 0.0413(11) Uani 1 1 d .
O1 O 1.0305(3) -0.1937(2) 0.1124(2) 0.0237(10) Uani 1 1 d .
F30 F 0.9461(2) 0.2532(2) 0.47303(17) 0.0340(10) Uani 1 1 d .
O13 O 0.8652(2) 0.1752(2) 0.3068(2) 0.0207(10) Uani 1 1 d .
F41 F 0.7545(3) 0.4489(2) 0.48237(18) 0.0370(10) Uani 1 1 d .
F24 F 0.4943(2) -0.0930(2) 0.1540(2) 0.0372(10) Uani 1 1 d .
O19 O 0.6124(3) 0.3878(2) 0.2314(2) 0.0262(11) Uani 1 1 d .
O9 O 0.6191(2) -0.2723(2) 0.0845(2) 0.0250(10) Uani 1 1 d .
O16 O 0.6996(2) 0.1763(2) 0.17620(19) 0.0185(9) Uani 1 1 d .
N4 N 0.5641(3) 0.2068(3) 0.2241(2) 0.0184(11) Uani 1 1 d .
O27 O 0.2099(3) 0.4980(2) 0.1566(2) 0.0213(10) Uani 1 1 d .
O32 O 0.1919(2) 0.6381(2) 0.1748(2) 0.0218(10) Uani 1 1 d .
O17 O 0.5410(3) 0.2329(2) 0.2635(2) 0.0223(10) Uani 1 1 d .
F12 F 0.9102(3) -0.0148(2) 0.0504(2) 0.0427(11) Uani 1 1 d .
O6 O 0.9478(3) -0.1110(2) 0.1196(2) 0.0224(10) Uani 1 1 d .
O5 O 0.8820(2) -0.2586(2) 0.1406(2) 0.0208(10) Uani 1 1 d .
O8 O 0.8656(2) 0.0823(2) 0.1802(2) 0.0213(10) Uani 1 1 d .
F55 F 0.1961(2) 0.7164(2) 0.3781(2) 0.0390(11) Uani 1 1 d .
O33 O 0.0499(2) 0.7476(2) 0.2305(2) 0.0206(10) Uani 1 1 d .
F28 F 0.9832(3) 0.1837(3) 0.4296(2) 0.0459(12) Uani 1 1 d .
F8 F 0.7233(3) -0.3583(2) 0.1113(2) 0.0540(14) Uani 1 1 d .
F6 F 1.1986(3) 0.0881(2) 0.1711(2) 0.0459(12) Uani 1 1 d .
F26 F 0.6777(3) 0.1226(2) 0.4316(2) 0.0444(12) Uani 1 1 d .
F29 F 0.9921(2) 0.2864(2) 0.3945(2) 0.0453(12) Uani 1 1 d .
O30 O 0.3966(3) 0.7236(2) 0.2696(2) 0.0248(10) Uani 1 1 d .
O15 O 0.8469(2) 0.2176(2) 0.1797(2) 0.0193(9) Uani 1 1 d .
O31 O 0.2639(3) 0.6679(2) 0.3105(2) 0.0206(10) Uani 1 1 d .
O11 O 0.6546(2) -0.0058(2) 0.16735(19) 0.0195(9) Uani 1 1 d .
F23 F 0.5335(3) -0.1218(2) 0.0805(2) 0.0455(12) Uani 1 1 d .
O4 O 0.9333(3) -0.2265(2) 0.2732(2) 0.0215(10) Uani 1 1 d .
O10 O 0.7881(3) 0.0153(2) 0.2721(2) 0.0229(10) Uani 1 1 d .
F53 F 0.1019(3) 0.3872(2) 0.3007(2) 0.0488(12) Uani 1 1 d .
N5 N 0.5239(3) 0.5152(3) 0.2849(3) 0.0224(12) Uani 1 1 d .
C107 C 0.1405(4) 0.7140(3) 0.2070(3) 0.0178(13) Uani 1 1 d .
F35 F 0.8815(3) 0.3657(2) 0.1705(3) 0.0538(14) Uani 1 1 d .
F5 F 1.2621(3) 0.0489(2) 0.2459(2) 0.0484(12) Uani 1 1 d .
O18 O 0.9063(3) 0.3873(2) 0.4527(2) 0.0246(10) Uani 1 1 d .
O34 O 0.4165(3) 0.9814(2) 0.2972(2) 0.0287(11) Uani 1 1 d .
O2 O 1.1172(2) -0.0623(2) 0.2031(2) 0.0215(10) Uani 1 1 d .
F10 F 0.8146(3) -0.1032(3) -0.0229(2) 0.0514(13) Uani 1 1 d .
O29 O 0.2120(3) 0.5148(2) 0.2822(2) 0.0215(10) Uani 1 1 d .
F7 F 0.7798(2) -0.3970(2) 0.0625(3) 0.0501(13) Uani 1 1 d .
F47 F 0.3373(2) 0.3577(2) 0.1362(2) 0.0393(10) Uani 1 1 d .
N6 N 0.4337(3) 0.5478(3) 0.2339(3) 0.0195(12) Uani 1 1 d .
F34 F 0.8981(3) 0.3515(2) 0.0795(2) 0.0447(12) Uani 1 1 d .
N3 N 0.6393(3) 0.1807(3) 0.1838(2) 0.0165(11) Uani 1 1 d .
F44 F 0.4079(3) 0.2593(2) 0.42914(19) 0.0406(11) Uani 1 1 d .
F31 F 0.7067(3) 0.0227(3) -0.0281(2) 0.0586(15) Uani 1 1 d .
N7 N 0.1354(3) 0.6481(3) 0.1834(2) 0.0184(11) Uani 1 1 d .
F32 F 0.7326(3) 0.1274(3) -0.06234(19) 0.0496(13) Uani 1 1 d .
O7 O 0.9781(2) -0.0742(2) 0.25605(19) 0.0186(9) Uani 1 1 d .
N1 N 0.9680(3) -0.0154(3) 0.2448(2) 0.0201(12) Uani 1 1 d .
O28 O 0.3741(3) 0.6021(2) 0.3375(2) 0.0224(10) Uani 1 1 d .
C55 C 0.8467(4) 0.3422(3) 0.3403(3) 0.0204(14) Uani 1 1 d .
H55 H 0.8955 0.3670 0.3356 0.024 Uiso 1 1 calc R
C18 C 0.6848(4) -0.2064(3) 0.1134(3) 0.0191(13) Uani 1 1 d .
N2 N 0.9161(3) 0.0579(3) 0.2079(3) 0.0226(12) Uani 1 1 d .
N8 N 0.0680(3) 0.6991(3) 0.2082(2) 0.0173(11) Uani 1 1 d .
O12 O 0.7031(2) 0.0967(2) 0.2837(2) 0.0202(10) Uani 1 1 d .
C9 C 1.1513(4) -0.0425(3) 0.1617(3) 0.0196(14) Uani 1 1 d .
O23 O 0.5591(3) 0.4811(2) 0.3192(2) 0.0266(11) Uani 1 1 d .
O24 O 0.3675(3) 0.5509(2) 0.2114(2) 0.0224(10) Uani 1 1 d .
F36 F 0.9725(2) 0.3376(2) 0.1657(2) 0.0467(12) Uani 1 1 d .
C77 C 0.3146(4) 0.4116(3) 0.2697(3) 0.0211(14) Uani 1 1 d .
H77 H 0.2944 0.4185 0.2271 0.025 Uiso 1 1 calc R
O26 O 0.3062(3) 0.6389(2) 0.1336(2) 0.0230(10) Uani 1 1 d .
F58 F 0.5138(3) 0.8730(2) 0.2918(2) 0.0520(13) Uani 1 1 d .
F59 F 0.5383(3) 0.8718(2) 0.3946(2) 0.0512(13) Uani 1 1 d .
F20 F 0.7341(3) -0.1506(2) 0.3373(2) 0.0518(13) Uani 1 1 d .
C24 C 0.9005(4) -0.0144(3) 0.2079(3) 0.0182(13) Uani 1 1 d .
C2 C 1.0827(4) -0.1320(4) 0.3695(3) 0.0264(15) Uani 1 1 d .
C7 C 1.0722(4) -0.1537(3) 0.0806(3) 0.0195(14) Uani 1 1 d .
F11 F 0.9327(3) -0.0782(3) -0.0148(2) 0.0530(13) Uani 1 1 d .
F52 F 0.1558(3) 0.4167(2) 0.4043(2) 0.0485(12) Uani 1 1 d .
C106 C -0.0690(4) 0.6046(4) 0.1555(3) 0.0254(15) Uani 1 1 d .
H10A H -0.0899 0.6225 0.1828 0.038 Uiso 1 1 calc R
H10B H -0.1016 0.5522 0.1399 0.038 Uiso 1 1 calc R
H10C H -0.0677 0.6309 0.1190 0.038 Uiso 1 1 calc R
F57 F 0.2724(3) 0.6825(3) 0.4462(2) 0.0534(14) Uani 1 1 d .
C53 C 0.7074(4) 0.2638(3) 0.2924(3) 0.0166(13) Uani 1 1 d .
C12 C 0.8300(4) -0.2656(4) 0.0877(3) 0.0210(14) Uani 1 1 d .
F42 F 0.7476(3) 0.5464(2) 0.4486(2) 0.0543(14) Uani 1 1 d .
F33 F 0.6294(3) 0.0739(3) -0.0368(2) 0.0623(15) Uani 1 1 d .
C32 C 0.7410(4) -0.0479(3) 0.2780(3) 0.0172(13) Uani 1 1 d .
F25 F 0.5965(3) 0.0849(3) 0.3367(2) 0.0668(17) Uani 1 1 d .
F56 F 0.3074(3) 0.7987(2) 0.4419(2) 0.0498(13) Uani 1 1 d .
O25 O 0.2416(3) 0.3077(3) 0.3893(2) 0.0318(12) Uani 1 1 d .
C109 C 0.2695(4) 0.8029(3) 0.2010(3) 0.0209(14) Uani 1 1 d .
H109 H 0.2638 0.7701 0.1668 0.025 Uiso 1 1 calc R
F46 F 0.3315(3) 0.2540(3) 0.0998(2) 0.0596(15) Uani 1 1 d .
F48 F 0.2540(2) 0.2550(3) 0.1500(2) 0.0491(12) Uani 1 1 d .
F49 F 0.4278(3) 0.5612(3) 0.4948(2) 0.0591(14) Uani 1 1 d .
C58 C 0.6992(4) 0.2715(3) 0.3542(3) 0.0169(13) Uani 1 1 d .
H58 H 0.6500 0.2488 0.3586 0.020 Uiso 1 1 calc R
C6 C 1.0515(4) -0.1933(4) 0.0113(3) 0.0307(17) Uani 1 1 d .
F60 F 0.5541(2) 0.7957(2) 0.3362(3) 0.0523(13) Uani 1 1 d .
F16 F 1.1471(3) -0.0792(3) 0.4830(2) 0.0625(15) Uani 1 1 d .
F40 F 0.8379(2) 0.5193(3) 0.4412(2) 0.0522(13) Uani 1 1 d .
C39 C 0.7263(4) 0.1146(3) 0.3445(3) 0.0180(13) Uani 1 1 d .
C64 C 0.7077(4) 0.4460(4) 0.3678(3) 0.0223(14) Uani 1 1 d .
C21 C 0.8256(4) -0.0798(3) 0.1762(3) 0.0197(14) Uani 1 1 d .
C89 C 0.2216(4) 0.4975(3) 0.3397(3) 0.0207(14) Uani 1 1 d .
C62 C 0.6852(4) 0.4297(3) 0.2514(3) 0.0255(15) Uani 1 1 d .
C113 C 0.2194(4) 0.8352(3) 0.2795(3) 0.0217(14) Uani 1 1 d .
H113 H 0.1797 0.8242 0.2972 0.026 Uiso 1 1 calc R
C37 C 0.8651(4) 0.1835(3) 0.3647(3) 0.0198(14) Uani 1 1 d .
C45 C 0.8997(4) 0.3249(4) 0.1353(3) 0.0264(15) Uani 1 1 d .
C51 C 0.5072(4) 0.1501(3) 0.1643(3) 0.0165(13) Uani 1 1 d .
C75 C 0.4253(4) 0.4391(3) 0.3673(3) 0.0231(14) Uani 1 1 d .
H75 H 0.4789 0.4634 0.3895 0.028 Uiso 1 1 calc R
F50 F 0.4978(3) 0.6148(3) 0.4372(2) 0.0523(13) Uani 1 1 d .
F54 F 0.1025(3) 0.4809(3) 0.3512(3) 0.0669(17) Uani 1 1 d .
C67 C 0.3888(4) 0.2958(4) 0.2142(3) 0.0236(15) Uani 1 1 d .
C76 C 0.3959(4) 0.4494(3) 0.3044(3) 0.0200(14) Uani 1 1 d .
C73 C 0.2952(4) 0.3545(4) 0.3640(3) 0.0250(15) Uani 1 1 d .
F39 F 0.6811(4) 0.4697(4) 0.1491(3) 0.085(2) Uani 1 1 d .
C14 C 0.8895(4) -0.1387(4) 0.0676(3) 0.0226(15) Uani 1 1 d .
C48 C 0.5636(4) 0.1528(3) 0.1263(3) 0.0165(13) Uani 1 1 d .
F22 F 0.5173(3) -0.1883(2) 0.1563(2) 0.0521(13) Uani 1 1 d .
C20 C 0.8070(4) -0.1463(3) 0.2017(3) 0.0178(13) Uani 1 1 d .
H20 H 0.8423 -0.1486 0.2398 0.021 Uiso 1 1 calc R
F21 F 0.7785(3) -0.0424(3) 0.3926(2) 0.0612(16) Uani 1 1 d .
C34 C 0.6277(4) -0.0671(3) 0.1863(3) 0.0191(14) Uani 1 1 d .
F9 F 0.7049(3) -0.3505(3) 0.0110(2) 0.0736(18) Uani 1 1 d .
F62 F 0.0754(3) 0.3790(3) 0.0818(3) 0.079(2) Uani 1 1 d .
C41 C 0.7045(4) 0.0885(4) -0.0198(3) 0.0314(17) Uani 1 1 d .
C110 C 0.3368(4) 0.8693(3) 0.2248(3) 0.0251(15) Uani 1 1 d .
H110 H 0.3756 0.8813 0.2059 0.030 Uiso 1 1 calc R
C22 C 0.7714(4) -0.0769(3) 0.1193(3) 0.0214(14) Uani 1 1 d .
H22 H 0.7821 -0.0326 0.1024 0.026 Uiso 1 1 calc R
F51 F 0.4441(3) 0.6709(3) 0.4762(3) 0.0756(18) Uani 1 1 d .
C52 C 0.6399(4) 0.2186(3) 0.2360(3) 0.0159(13) Uani 1 1 d .
C23 C 0.7017(4) -0.1401(4) 0.0881(3) 0.0237(15) Uani 1 1 d .
H23 H 0.6661 -0.1381 0.0501 0.028 Uiso 1 1 calc R
C33 C 0.6645(4) -0.0916(4) 0.2390(3) 0.0223(14) Uani 1 1 d .
H33 H 0.6369 -0.1385 0.2484 0.027 Uiso 1 1 calc R
C78 C 0.2660(4) 0.3649(4) 0.2994(3) 0.0254(15) Uani 1 1 d .
H78 H 0.2126 0.3395 0.2765 0.030 Uiso 1 1 calc R
C97 C 0.1973(4) 0.4818(4) 0.0971(3) 0.0270(16) Uani 1 1 d .
C57 C 0.7643(4) 0.3125(3) 0.4078(3) 0.0178(13) Uani 1 1 d .
H57 H 0.7588 0.3172 0.4485 0.021 Uiso 1 1 calc R
F37 F 0.7150(3) 0.3841(3) 0.1680(2) 0.0577(14) Uani 1 1 d .
F61 F 0.1205(3) 0.3791(3) 0.0069(2) 0.0626(15) Uani 1 1 d .
F63 F 0.1728(3) 0.3569(3) 0.0978(3) 0.086(2) Uani 1 1 d .
C98 C 0.2250(4) 0.5283(4) 0.0545(3) 0.0333(18) Uani 1 1 d .
H98 H 0.2086 0.5090 0.0105 0.040 Uiso 1 1 calc R
C11 C 0.7592(4) -0.3431(4) 0.0667(3) 0.0252(15) Uani 1 1 d .
C17 C 0.5713(4) -0.2773(4) 0.0191(3) 0.0318(17) Uani 1 1 d .
H17A H 0.6038 -0.2566 -0.0077 0.038 Uiso 1 1 calc R
H17B H 0.5418 -0.2492 0.0191 0.038 Uiso 1 1 calc R
F13 F 0.8558(4) -0.3493(3) 0.3260(3) 0.084(2) Uani 1 1 d .
C19 C 0.7371(4) -0.2087(4) 0.1714(3) 0.0204(14) Uani 1 1 d .
H19 H 0.7249 -0.2522 0.1897 0.024 Uiso 1 1 calc R
C66 C 0.3270(4) 0.2906(4) 0.1496(3) 0.0325(18) Uani 1 1 d .
C36 C 0.9472(4) 0.2276(4) 0.4156(3) 0.0263(15) Uani 1 1 d .
C94 C 0.3076(4) 0.7229(4) 0.3547(3) 0.0228(15) Uani 1 1 d .
C112 C 0.2871(4) 0.9014(3) 0.3038(3) 0.0220(14) Uani 1 1 d .
H112 H 0.2929 0.9344 0.3379 0.026 Uiso 1 1 calc R
C31 C 0.7744(4) -0.0775(4) 0.3392(3) 0.0249(15) Uani 1 1 d .
C87 C 0.3609(4) 0.5745(4) 0.3873(3) 0.0232(15) Uani 1 1 d .
C50 C 0.4447(4) 0.1732(4) 0.1294(3) 0.0255(15) Uani 1 1 d .
H50A H 0.4126 0.1696 0.1557 0.038 Uiso 1 1 calc R
H50B H 0.4128 0.1409 0.0881 0.038 Uiso 1 1 calc R
H50C H 0.4689 0.2238 0.1223 0.038 Uiso 1 1 calc R
C42 C 0.7485(4) 0.1273(4) 0.0518(3) 0.0237(15) Uani 1 1 d .
F15 F 0.8913(3) -0.2769(4) 0.4149(2) 0.088(2) Uani 1 1 d .
C44 C 0.8428(4) 0.2417(3) 0.1264(3) 0.0204(14) Uani 1 1 d .
C91 C 0.5082(5) 0.8279(4) 0.3366(4) 0.0347(18) Uani 1 1 d .
C54 C 0.7817(4) 0.3000(3) 0.2871(3) 0.0182(13) Uani 1 1 d .
H54 H 0.7873 0.2955 0.2464 0.022 Uiso 1 1 calc R
C111 C 0.3473(4) 0.9190(3) 0.2772(3) 0.0218(14) Uani 1 1 d .
C56 C 0.8385(4) 0.3473(3) 0.4021(3) 0.0202(14) Uani 1 1 d .
C79 C 0.4489(4) 0.5027(3) 0.2744(3) 0.0196(14) Uani 1 1 d .
C83 C 0.4729(5) 0.5379(4) 0.1400(3) 0.0347(18) Uani 1 1 d .
H83A H 0.4676 0.4891 0.1473 0.052 Uiso 1 1 calc R
H83B H 0.5119 0.5602 0.1198 0.052 Uiso 1 1 calc R
H83C H 0.4237 0.5341 0.1120 0.052 Uiso 1 1 calc R
C69 C 0.4176(4) 0.2645(3) 0.3229(3) 0.0236(15) Uani 1 1 d .
C86 C 0.4329(5) 0.6043(4) 0.4497(4) 0.0375(19) Uani 1 1 d .
C30 C 1.0174(4) 0.1851(3) 0.2686(3) 0.0285(16) Uani 1 1 d .
H30A H 0.9944 0.2087 0.2366 0.043 Uiso 1 1 calc R
H30B H 1.0727 0.2164 0.2874 0.043 Uiso 1 1 calc R
H30C H 0.9942 0.1776 0.3023 0.043 Uiso 1 1 calc R
C92 C 0.4235(4) 0.7696(3) 0.3219(3) 0.0238(15) Uani 1 1 d .
C101 C 0.0517(4) 0.5137(4) 0.1745(4) 0.041(2) Uani 1 1 d .
H10D H 0.0754 0.4972 0.1490 0.062 Uiso 1 1 calc R
H10E H -0.0015 0.4770 0.1653 0.062 Uiso 1 1 calc R
H10F H 0.0804 0.5203 0.2202 0.062 Uiso 1 1 calc R
C74 C 0.3759(4) 0.3929(3) 0.3983(3) 0.0242(15) Uani 1 1 d .
H74 H 0.3961 0.3874 0.4414 0.029 Uiso 1 1 calc R
C4 C 0.9470(4) -0.2234(4) 0.3336(3) 0.0271(16) Uani 1 1 d .
C70 C 0.3869(5) 0.2184(4) 0.3727(4) 0.0342(18) Uani 1 1 d .
C38 C 0.8022(4) 0.1562(3) 0.3871(3) 0.0210(14) Uani 1 1 d .
H38 H 0.8109 0.1658 0.4316 0.025 Uiso 1 1 calc R
F65 F 0.3004(4) 0.7147(4) 0.0327(3) 0.091(2) Uani 1 1 d .
C93 C 0.3852(4) 0.7740(3) 0.3651(3) 0.0262(15) Uani 1 1 d .
H93 H 0.4119 0.8116 0.4015 0.031 Uiso 1 1 calc R
C81 C 0.5677(4) 0.5835(3) 0.2577(4) 0.0260(16) Uani 1 1 d .
C40 C 0.6609(4) 0.0842(4) 0.3744(3) 0.0265(15) Uani 1 1 d .
C104 C 0.0163(4) 0.5935(4) 0.2612(3) 0.0340(17) Uani 1 1 d .
H10G H 0.0685 0.6012 0.2850 0.051 Uiso 1 1 calc R
H10H H -0.0193 0.5416 0.2553 0.051 Uiso 1 1 calc R
H10I H 0.0016 0.6226 0.2852 0.051 Uiso 1 1 calc R
C68 C 0.3646(4) 0.2571(4) 0.2620(3) 0.0249(15) Uani 1 1 d .
H68 H 0.3118 0.2255 0.2530 0.030 Uiso 1 1 calc R
C90 C 0.1444(5) 0.4444(4) 0.3485(3) 0.0311(17) Uani 1 1 d .
C88 C 0.2902(4) 0.5240(4) 0.3920(3) 0.0249(15) Uani 1 1 d .
H88 H 0.2891 0.5075 0.4316 0.030 Uiso 1 1 calc R
F27 F 0.6448(3) 0.0148(2) 0.3830(3) 0.0718(18) Uani 1 1 d .
C26 C 1.0164(4) 0.0668(4) 0.3479(3) 0.0309(16) Uani 1 1 d .
H26A H 0.9648 0.0621 0.3408 0.046 Uiso 1 1 calc R
H26B H 1.0545 0.1143 0.3741 0.046 Uiso 1 1 calc R
H26C H 1.0223 0.0276 0.3703 0.046 Uiso 1 1 calc R
F45 F 0.3100(3) 0.1839(4) 0.3539(3) 0.094(2) Uani 1 1 d U
C25 C 1.1112(4) 0.0709(4) 0.2917(4) 0.0339(17) Uani 1 1 d .
H25A H 1.1226 0.0387 0.3208 0.051 Uiso 1 1 calc R
H25B H 1.1479 0.1219 0.3103 0.051 Uiso 1 1 calc R
H25C H 1.1151 0.0587 0.2504 0.051 Uiso 1 1 calc R
C65 C 0.7630(4) 0.4904(4) 0.4357(3) 0.0307(17) Uani 1 1 d .
C28 C 1.0029(4) 0.1097(3) 0.2357(3) 0.0224(14) Uani 1 1 d .
C46 C 0.5458(4) 0.0796(4) 0.0889(3) 0.0262(15) Uani 1 1 d .
H46A H 0.5861 0.0870 0.0706 0.039 Uiso 1 1 calc R
H46B H 0.4963 0.0616 0.0543 0.039 Uiso 1 1 calc R
H46C H 0.5436 0.0437 0.1179 0.039 Uiso 1 1 calc R
C5 C 0.8764(5) -0.2804(5) 0.3513(4) 0.042(2) Uani 1 1 d .
C99 C 0.2772(4) 0.6037(4) 0.0770(3) 0.0267(16) Uani 1 1 d .
C59 C 0.9025(4) 0.3850(4) 0.5185(3) 0.0289(16) Uani 1 1 d .
H59A H 0.8774 0.3338 0.5252 0.035 Uiso 1 1 calc R
H59B H 0.8732 0.4107 0.5259 0.035 Uiso 1 1 calc R
F43 F 0.4126(5) 0.1691(3) 0.3840(3) 0.097(2) Uani 1 1 d U
F64 F 0.2635(4) 0.6205(4) -0.0343(3) 0.101(2) Uani 1 1 d .
C61 C 0.7191(4) 0.4453(4) 0.1956(4) 0.0306(17) Uani 1 1 d .
C43 C 0.7976(4) 0.2039(3) 0.0635(3) 0.0246(15) Uani 1 1 d .
H43 H 0.7998 0.2298 0.0284 0.030 Uiso 1 1 calc R
C15 C 0.8859(4) -0.0842(4) 0.0196(3) 0.0321(17) Uani 1 1 d .
C95 C 0.2707(4) 0.7313(4) 0.4055(3) 0.0297(16) Uani 1 1 d .
C114 C 0.4313(4) 1.0342(4) 0.3514(4) 0.0347(18) Uani 1 1 d .
H11A H 0.3836 1.0382 0.3474 0.042 Uiso 1 1 calc R
H11B H 0.4703 1.0829 0.3495 0.042 Uiso 1 1 calc R
C29 C 1.0327(4) 0.1205(4) 0.1772(4) 0.0346(17) Uani 1 1 d .
H29A H 1.0239 0.0731 0.1570 0.052 Uiso 1 1 calc R
H29B H 1.0877 0.1536 0.1921 0.052 Uiso 1 1 calc R
H29C H 1.0052 0.1414 0.1460 0.052 Uiso 1 1 calc R
C82 C 0.6092(4) 0.6481(4) 0.3160(4) 0.0382(19) Uani 1 1 d .
H82A H 0.5709 0.6539 0.3307 0.057 Uiso 1 1 calc R
H82B H 0.6390 0.6934 0.3026 0.057 Uiso 1 1 calc R
H82C H 0.6437 0.6372 0.3510 0.057 Uiso 1 1 calc R
F66 F 0.3780(4) 0.6697(4) 0.0352(3) 0.086(2) Uani 1 1 d .
F14 F 0.8149(3) -0.2670(3) 0.3264(3) 0.0698(16) Uani 1 1 d .
C3 C 1.0158(4) -0.1793(4) 0.3838(3) 0.0350(18) Uani 1 1 d .
H3 H 1.0178 -0.1809 0.4271 0.042 Uiso 1 1 calc R
C27 C 1.0287(4) 0.0608(3) 0.2817(3) 0.0206(14) Uani 1 1 d .
C1 C 1.1594(5) -0.0857(5) 0.4286(4) 0.043(2) Uani 1 1 d .
C85 C 0.5053(5) 0.6639(4) 0.1954(4) 0.0364(19) Uani 1 1 d .
H85A H 0.4596 0.6598 0.1613 0.055 Uiso 1 1 calc R
H85B H 0.5508 0.6907 0.1833 0.055 Uiso 1 1 calc R
H85C H 0.5105 0.6900 0.2354 0.055 Uiso 1 1 calc R
C10 C 1.2226(4) 0.0346(4) 0.1829(3) 0.0288(16) Uani 1 1 d .
C108 C 0.2097(3) 0.7844(3) 0.2282(3) 0.0178(13) Uani 1 1 d .
C102 C 0.0532(4) 0.5873(4) 0.1573(3) 0.0240(15) Uani 1 1 d .
C60 C 0.9866(4) 0.4239(4) 0.5640(3) 0.0393(19) Uani 1 1 d .
H60A H 1.0105 0.4743 0.5565 0.059 Uiso 1 1 calc R
H60B H 1.0148 0.3979 0.5558 0.059 Uiso 1 1 calc R
H60C H 0.9877 0.4240 0.6085 0.059 Uiso 1 1 calc R
C35 C 0.5421(4) -0.1191(3) 0.1441(3) 0.0235(15) Uani 1 1 d .
F18 F 1.1981(4) -0.0198(4) 0.4173(3) 0.115(3) Uani 1 1 d .
C13 C 0.8300(4) -0.2116(4) 0.0486(3) 0.0249(15) Uani 1 1 d .
H13 H 0.7895 -0.2243 0.0090 0.030 Uiso 1 1 calc R
C49 C 0.4724(4) 0.0753(4) 0.1879(3) 0.0267(15) Uani 1 1 d .
H49A H 0.5129 0.0603 0.2065 0.040 Uiso 1 1 calc R
H49B H 0.4322 0.0382 0.1516 0.040 Uiso 1 1 calc R
H49C H 0.4505 0.0807 0.2204 0.040 Uiso 1 1 calc R
C103 C 0.0259(4) 0.5855(4) 0.0844(3) 0.0375(19) Uani 1 1 d .
H10J H 0.0280 0.6330 0.0755 0.056 Uiso 1 1 calc R
H10K H -0.0269 0.5473 0.0653 0.056 Uiso 1 1 calc R
H10L H 0.0592 0.5750 0.0660 0.056 Uiso 1 1 calc R
C80 C 0.6253(4) 0.5722(4) 0.2331(4) 0.040(2) Uani 1 1 d .
H80A H 0.6668 0.5722 0.2694 0.060 Uiso 1 1 calc R
H80B H 0.6466 0.6119 0.2099 0.060 Uiso 1 1 calc R
H80C H 0.5994 0.5253 0.2041 0.060 Uiso 1 1 calc R
C84 C 0.4973(4) 0.5862(4) 0.2052(3) 0.0265(16) Uani 1 1 d .
C63 C 0.7355(4) 0.4617(3) 0.3150(3) 0.0235(14) Uani 1 1 d .
H63 H 0.7879 0.4937 0.3226 0.028 Uiso 1 1 calc R
C96 C 0.1414(4) 0.3988(4) 0.0706(3) 0.0303(17) Uani 1 1 d .
C72 C 0.2675(5) 0.3091(4) 0.4593(4) 0.0373(19) Uani 1 1 d .
H72A H 0.2906 0.3597 0.4823 0.045 Uiso 1 1 calc R
H72B H 0.3064 0.2905 0.4716 0.045 Uiso 1 1 calc R
F38 F 0.7938(3) 0.4926(4) 0.2151(3) 0.096(2) Uani 1 1 d U
C115 C 0.4592(5) 1.0128(5) 0.4155(4) 0.050(2) Uani 1 1 d .
H11C H 0.5037 1.0043 0.4181 0.075 Uiso 1 1 calc R
H11D H 0.4181 0.9680 0.4200 0.075 Uiso 1 1 calc R
H11E H 0.4738 1.0522 0.4499 0.075 Uiso 1 1 calc R
C100 C 0.3051(5) 0.6516(5) 0.0265(4) 0.044(2) Uani 1 1 d .
C105 C 0.0133(4) 0.6174(3) 0.1948(3) 0.0203(14) Uani 1 1 d .
C16 C 0.5163(4) -0.3582(4) -0.0078(4) 0.042(2) Uani 1 1 d .
H16A H 0.4888 -0.3634 -0.0536 0.062 Uiso 1 1 calc R
H16B H 0.4794 -0.3762 0.0150 0.062 Uiso 1 1 calc R
H16C H 0.5456 -0.3866 -0.0022 0.062 Uiso 1 1 calc R
F17 F 1.2046(4) -0.1185(5) 0.4381(3) 0.117(3) Uani 1 1 d .
C8 C 1.1317(4) -0.0818(4) 0.1011(3) 0.0310(17) Uani 1 1 d .
H8 H 1.1591 -0.0594 0.0733 0.037 Uiso 1 1 calc R
C71 C 0.1974(5) 0.2606(5) 0.4765(4) 0.064(3) Uani 1 1 d .
H71A H 0.1548 0.2719 0.4551 0.095 Uiso 1 1 calc R
H71B H 0.2095 0.2696 0.5230 0.095 Uiso 1 1 calc R
H71C H 0.1827 0.2092 0.4624 0.095 Uiso 1 1 calc R
C47 C 0.5775(4) 0.2137(4) 0.0835(3) 0.0277(16) Uani 1 1 d .
H47A H 0.5861 0.2591 0.1073 0.042 Uiso 1 1 calc R
H47B H 0.5326 0.1983 0.0446 0.042 Uiso 1 1 calc R
H47C H 0.6227 0.2220 0.0717 0.042 Uiso 1 1 calc R
F4 F 1.2716(3) 0.0447(3) 0.1504(3) 0.0656(17) Uani 1 1 d .
F3 F 1.0902(3) -0.1482(2) -0.02405(19) 0.0371(10) Uani 1 1 d .
F1 F 0.9748(3) -0.2194(3) -0.0217(2) 0.0446(12) Uani 1 1 d .
F2 F 1.0685(3) -0.2511(2) 0.0142(2) 0.0412(11) Uani 1 1 d .
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'
Cu Cu 0.3201 1.2651 '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 Dy2 O11 140.45(14) . .
O13 Dy2 O15 75.65(15) . .
O11 Dy2 O15 143.49(14) . .
O13 Dy2 O16 103.26(14) . .
O11 Dy2 O16 91.41(15) . .
O15 Dy2 O16 69.44(14) . .
O13 Dy2 O12 73.86(14) . .
O11 Dy2 O12 75.25(14) . .
O15 Dy2 O12 124.78(14) . .
O16 Dy2 O12 74.29(14) . .
O13 Dy2 O14 146.79(14) . .
O11 Dy2 O14 71.87(14) . .
O15 Dy2 O14 73.77(14) . .
O16 Dy2 O14 77.76(13) . .
O12 Dy2 O14 135.76(14) . .
O13 Dy2 O10 75.19(15) . .
O11 Dy2 O10 73.03(15) . .
O15 Dy2 O10 137.88(15) . .
O16 Dy2 O10 147.36(14) . .
O12 Dy2 O10 74.06(14) . .
O14 Dy2 O10 121.57(14) . .
O13 Dy2 O8 88.56(14) . .
O11 Dy2 O8 104.80(14) . .
O15 Dy2 O8 75.03(14) . .
O16 Dy2 O8 138.00(14) . .
O12 Dy2 O8 146.98(15) . .
O14 Dy2 O8 71.32(14) . .
O10 Dy2 O8 74.51(14) . .
O27 Dy3 O30 151.00(15) . .
O27 Dy3 O29 71.56(14) . .
O30 Dy3 O29 137.15(15) . .
O27 Dy3 O24 71.02(15) . .
O30 Dy3 O24 93.49(15) . .
O29 Dy3 O24 103.57(15) . .
O27 Dy3 O28 122.37(15) . .
O30 Dy3 O28 73.79(16) . .
O29 Dy3 O28 73.42(15) . .
O24 Dy3 O28 74.65(14) . .
O27 Dy3 O31 130.41(15) . .
O30 Dy3 O31 73.94(14) . .
O29 Dy3 O31 72.34(14) . .
O24 Dy3 O31 151.09(15) . .
O28 Dy3 O31 76.84(15) . .
O27 Dy3 O26 73.61(15) . .
O30 Dy3 O26 78.68(15) . .
O29 Dy3 O26 143.63(15) . .
O24 Dy3 O26 74.22(14) . .
O28 Dy3 O26 136.57(15) . .
O31 Dy3 O26 126.32(14) . .
O27 Dy3 O32 78.93(14) . .
O30 Dy3 O32 98.71(15) . .
O29 Dy3 O32 94.94(15) . .
O24 Dy3 O32 137.02(14) . .
O28 Dy3 O32 148.31(14) . .
O31 Dy3 O32 71.53(14) . .
O26 Dy3 O32 68.17(14) . .
O5 Dy1 O2 144.69(14) . .
O5 Dy1 O33 89.35(14) . 1_645
O2 Dy1 O33 100.25(15) . 1_645
O5 Dy1 O4 70.66(14) . .
O2 Dy1 O4 144.43(14) . .
O33 Dy1 O4 78.57(14) 1_645 .
O5 Dy1 O6 72.92(14) . .
O2 Dy1 O6 80.36(15) . .
O33 Dy1 O6 145.10(14) 1_645 .
O4 Dy1 O6 120.73(15) . .
O5 Dy1 O1 77.84(15) . .
O2 Dy1 O1 72.53(14) . .
O33 Dy1 O1 73.88(15) 1_645 .
O4 Dy1 O1 137.98(14) . .
O6 Dy1 O1 73.12(15) . .
O5 Dy1 O7 107.24(14) . .
O2 Dy1 O7 86.49(14) . .
O33 Dy1 O7 140.84(14) 1_645 .
O4 Dy1 O7 74.28(14) . .
O6 Dy1 O7 73.99(14) . .
O1 Dy1 O7 143.36(15) . .
O5 Dy1 O3 141.38(14) . .
O2 Dy1 O3 73.49(14) . .
O33 Dy1 O3 73.25(14) 1_645 .
O4 Dy1 O3 72.19(15) . .
O6 Dy1 O3 137.78(14) . .
O1 Dy1 O3 126.69(15) . .
O7 Dy1 O3 71.89(14) . .
O20 Cu1 O22 163.82(18) . .
O20 Cu1 O21 88.15(18) . .
O22 Cu1 O21 93.31(19) . .
O20 Cu1 O19 93.12(19) . .
O22 Cu1 O19 88.87(19) . .
O21 Cu1 O19 167.71(18) . .
O20 Cu1 O17 103.14(16) . .
O22 Cu1 O17 93.01(17) . .
O21 Cu1 O17 81.32(16) . .
O19 Cu1 O17 86.50(16) . .
O20 Cu1 O23 75.83(16) . .
O22 Cu1 O23 88.00(17) . .
O21 Cu1 O23 96.46(16) . .
O19 Cu1 O23 95.70(17) . .
O17 Cu1 O23 177.61(14) . .
C67 O22 Cu1 123.1(4) . .
C2 O3 Dy1 133.8(4) . .
C42 O14 Dy2 132.8(4) . .
C69 O21 Cu1 124.5(4) . .
C64 O20 Cu1 124.0(4) . .
C7 O1 Dy1 132.1(4) . .
C37 O13 Dy2 133.8(4) . .
C62 O19 Cu1 123.7(4) . .
C18 O9 C17 118.1(5) . .
N3 O16 Dy2 137.9(3) . .
O17 N4 C52 124.6(5) . .
O17 N4 C51 121.6(5) . .
C52 N4 C51 113.2(4) . .
C97 O27 Dy3 134.6(4) . .
N7 O32 Dy3 138.0(4) . .
N4 O17 Cu1 132.1(3) . .
C14 O6 Dy1 133.2(4) . .
C12 O5 Dy1 136.0(4) . .
N2 O8 Dy2 136.2(4) . .
N8 O33 Dy1 146.0(4) . 1_465
C92 O30 Dy3 130.8(4) . .
C44 O15 Dy2 132.8(4) . .
C94 O31 Dy3 131.1(4) . .
C34 O11 Dy2 134.9(4) . .
C4 O4 Dy1 135.7(4) . .
C32 O10 Dy2 132.0(4) . .
O23 N5 C79 126.6(5) . .
O23 N5 C81 121.2(5) . .
C79 N5 C81 111.8(5) . .
N8 C107 N7 106.0(5) . .
N8 C107 C108 127.6(5) . .
N7 C107 C108 126.4(5) . .
C56 O18 C59 117.5(5) . .
C111 O34 C114 118.0(5) . .
C9 O2 Dy1 135.2(4) . .
C89 O29 Dy3 134.1(4) . .
O24 N6 C79 126.0(5) . .
O24 N6 C84 120.6(5) . .
C79 N6 C84 112.5(5) . .
O16 N3 C52 125.7(5) . .
O16 N3 C48 119.5(4) . .
C52 N3 C48 113.9(5) . .
O32 N7 C107 125.7(5) . .
O32 N7 C102 120.2(5) . .
C107 N7 C102 113.4(5) . .
N1 O7 Dy1 139.8(3) . .
O7 N1 C24 126.1(5) . .
O7 N1 C27 121.4(5) . .
C24 N1 C27 111.8(5) . .
C87 O28 Dy3 133.1(4) . .
C54 C55 C56 119.2(6) . .
C54 C55 H55 120.4 . .
C56 C55 H55 120.4 . .
O9 C18 C19 115.8(6) . .
O9 C18 C23 124.4(6) . .
C19 C18 C23 119.8(6) . .
O8 N2 C24 125.5(5) . .
O8 N2 C28 121.5(5) . .
C24 N2 C28 112.4(5) . .
O33 N8 C107 124.7(5) . .
O33 N8 C105 120.5(5) . .
C107 N8 C105 113.6(5) . .
C39 O12 Dy2 132.8(4) . .
O2 C9 C8 127.4(6) . .
O2 C9 C10 114.5(5) . .
C8 C9 C10 118.1(6) . .
N5 O23 Cu1 128.7(4) . .
N6 O24 Dy3 143.4(4) . .
C78 C77 C76 119.2(6) . .
C78 C77 H77 120.4 . .
C76 C77 H77 120.4 . .
C99 O26 Dy3 133.1(4) . .
N2 C24 N1 106.6(5) . .
N2 C24 C21 127.5(6) . .
N1 C24 C21 125.9(5) . .
O3 C2 C3 129.1(7) . .
O3 C2 C1 113.5(6) . .
C3 C2 C1 117.4(6) . .
O1 C7 C8 128.0(6) . .
O1 C7 C6 113.4(5) . .
C8 C7 C6 118.7(6) . .
C105 C106 H10A 109.5 . .
C105 C106 H10B 109.5 . .
H10A C106 H10B 109.5 . .
C105 C106 H10C 109.5 . .
H10A C106 H10C 109.5 . .
H10B C106 H10C 109.5 . .
C54 C53 C58 118.7(6) . .
C54 C53 C52 120.9(5) . .
C58 C53 C52 120.3(5) . .
O5 C12 C13 127.2(6) . .
O5 C12 C11 114.2(6) . .
C13 C12 C11 118.6(6) . .
O10 C32 C33 128.7(6) . .
O10 C32 C31 114.0(6) . .
C33 C32 C31 117.3(6) . .
C73 O25 C72 117.0(5) . .
C110 C109 C108 120.4(6) . .
C110 C109 H109 119.8 . .
C108 C109 H109 119.8 . .
C57 C58 C53 119.7(6) . .
C57 C58 H58 120.1 . .
C53 C58 H58 120.1 . .
F2 C6 F3 107.4(5) . .
F2 C6 F1 107.8(6) . .
F3 C6 F1 107.5(6) . .
F2 C6 C7 110.6(6) . .
F3 C6 C7 112.8(5) . .
F1 C6 C7 110.5(5) . .
O12 C39 C38 128.6(6) . .
O12 C39 C40 114.1(6) . .
C38 C39 C40 117.3(5) . .
O20 C64 C63 128.4(6) . .
O20 C64 C65 113.5(6) . .
C63 C64 C65 118.0(6) . .
C20 C21 C22 118.8(6) . .
C20 C21 C24 120.8(6) . .
C22 C21 C24 120.4(6) . .
O29 C89 C88 127.5(6) . .
O29 C89 C90 112.7(6) . .
C88 C89 C90 119.7(6) . .
O19 C62 C63 128.9(6) . .
O19 C62 C61 112.6(6) . .
C63 C62 C61 118.5(6) . .
C112 C113 C108 120.9(6) . .
C112 C113 H113 119.5 . .
C108 C113 H113 119.5 . .
O13 C37 C38 128.6(6) . .
O13 C37 C36 113.8(5) . .
C38 C37 C36 117.6(6) . .
F36 C45 F34 106.8(6) . .
F36 C45 F35 108.3(6) . .
F34 C45 F35 106.4(6) . .
F36 C45 C44 111.3(6) . .
F34 C45 C44 114.0(5) . .
F35 C45 C44 109.8(5) . .
N4 C51 C50 109.6(5) . .
N4 C51 C49 106.7(5) . .
C50 C51 C49 111.6(5) . .
N4 C51 C48 100.5(5) . .
C50 C51 C48 114.8(5) . .
C49 C51 C48 112.6(5) . .
C76 C75 C74 120.9(6) . .
C76 C75 H75 119.5 . .
C74 C75 H75 119.5 . .
O22 C67 C68 128.9(6) . .
O22 C67 C66 111.9(6) . .
C68 C67 C66 119.2(6) . .
C75 C76 C77 120.1(6) . .
C75 C76 C79 119.7(6) . .
C77 C76 C79 120.1(6) . .
O25 C73 C74 124.3(6) . .
O25 C73 C78 116.5(6) . .
C74 C73 C78 119.2(6) . .
O6 C14 C13 128.5(6) . .
O6 C14 C15 114.4(6) . .
C13 C14 C15 117.1(6) . .
C46 C48 N3 110.9(5) . .
C46 C48 C47 110.6(5) . .
N3 C48 C47 105.0(5) . .
C46 C48 C51 116.6(5) . .
N3 C48 C51 98.9(4) . .
C47 C48 C51 113.6(5) . .
C19 C20 C21 121.2(6) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
O11 C34 C33 128.2(6) . .
O11 C34 C35 113.0(5) . .
C33 C34 C35 118.8(6) . .
F32 C41 F33 107.2(6) . .
F32 C41 F31 107.0(6) . .
F33 C41 F31 107.0(6) . .
F32 C41 C42 114.2(6) . .
F33 C41 C42 110.5(6) . .
F31 C41 C42 110.5(6) . .
C109 C110 C111 120.8(6) . .
C109 C110 H110 119.6 . .
C111 C110 H110 119.6 . .
C23 C22 C21 120.0(6) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
N3 C52 N4 106.1(5) . .
N3 C52 C53 126.6(5) . .
N4 C52 C53 127.3(5) . .
C22 C23 C18 120.4(6) . .
C22 C23 H23 119.8 . .
C18 C23 H23 119.8 . .
C32 C33 C34 121.3(6) . .
C32 C33 H33 119.3 . .
C34 C33 H33 119.3 . .
C77 C78 C73 121.2(6) . .
C77 C78 H78 119.4 . .
C73 C78 H78 119.4 . .
O27 C97 C98 128.8(6) . .
O27 C97 C96 112.0(6) . .
C98 C97 C96 119.2(6) . .
C58 C57 C56 120.9(5) . .
C58 C57 H57 119.5 . .
C56 C57 H57 119.5 . .
C97 C98 C99 120.9(6) . .
C97 C98 H98 119.6 . .
C99 C98 H98 119.6 . .
F7 C11 F9 108.4(6) . .
F7 C11 F8 104.8(6) . .
F9 C11 F8 105.8(6) . .
F7 C11 C12 112.2(5) . .
F9 C11 C12 114.1(6) . .
F8 C11 C12 110.9(5) . .
O9 C17 C16 108.2(6) . .
O9 C17 H17A 110.1 . .
C16 C17 H17A 110.1 . .
O9 C17 H17B 110.1 . .
C16 C17 H17B 110.1 . .
H17A C17 H17B 108.4 . .
C20 C19 C18 119.8(6) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
F47 C66 F48 106.7(6) . .
F47 C66 F46 107.7(6) . .
F48 C66 F46 107.0(6) . .
F47 C66 C67 111.2(6) . .
F48 C66 C67 113.3(6) . .
F46 C66 C67 110.6(5) . .
F29 C36 F28 107.9(6) . .
F29 C36 F30 107.1(5) . .
F28 C36 F30 106.1(5) . .
F29 C36 C37 112.1(5) . .
F28 C36 C37 110.1(5) . .
F30 C36 C37 113.3(5) . .
O31 C94 C93 128.4(6) . .
O31 C94 C95 114.0(6) . .
C93 C94 C95 117.5(6) . .
C113 C112 C111 120.1(6) . .
C113 C112 H112 119.9 . .
C111 C112 H112 119.9 . .
F21 C31 F20 108.2(6) . .
F21 C31 F19 107.0(6) . .
F20 C31 F19 105.1(5) . .
F21 C31 C32 111.3(5) . .
F20 C31 C32 114.2(5) . .
F19 C31 C32 110.6(5) . .
O28 C87 C88 128.0(6) . .
O28 C87 C86 114.3(6) . .
C88 C87 C86 117.6(6) . .
C51 C50 H50A 109.5 . .
C51 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C51 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
O14 C42 C43 128.4(6) . .
O14 C42 C41 113.9(6) . .
C43 C42 C41 117.7(6) . .
O15 C44 C43 129.3(6) . .
O15 C44 C45 112.7(5) . .
C43 C44 C45 118.0(6) . .
F60 C91 F59 107.3(7) . .
F60 C91 F58 107.6(6) . .
F59 C91 F58 106.5(6) . .
F60 C91 C92 111.1(6) . .
F59 C91 C92 113.2(6) . .
F58 C91 C92 110.9(6) . .
C55 C54 C53 121.7(5) . .
C55 C54 H54 119.1 . .
C53 C54 H54 119.1 . .
O34 C111 C110 115.3(6) . .
O34 C111 C112 125.7(6) . .
C110 C111 C112 119.0(6) . .
O18 C56 C57 124.9(5) . .
O18 C56 C55 115.5(5) . .
C57 C56 C55 119.6(6) . .
N6 C79 N5 107.8(5) . .
N6 C79 C76 127.3(6) . .
N5 C79 C76 124.8(6) . .
C84 C83 H83A 109.5 . .
C84 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C84 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
O21 C69 C68 127.8(6) . .
O21 C69 C70 113.8(6) . .
C68 C69 C70 118.4(6) . .
F49 C86 F50 106.3(7) . .
F49 C86 F51 107.6(6) . .
F50 C86 F51 107.3(7) . .
F49 C86 C87 114.8(7) . .
F50 C86 C87 111.9(6) . .
F51 C86 C87 108.7(6) . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O30 C92 C93 128.5(6) . .
O30 C92 C91 113.6(6) . .
C93 C92 C91 118.0(6) . .
C102 C101 H10D 109.5 . .
C102 C101 H10E 109.5 . .
H10D C101 H10E 109.5 . .
C102 C101 H10F 109.5 . .
H10D C101 H10F 109.5 . .
H10E C101 H10F 109.5 . .
C75 C74 C73 119.3(6) . .
C75 C74 H74 120.3 . .
C73 C74 H74 120.3 . .
O4 C4 C3 128.4(6) . .
O4 C4 C5 112.8(6) . .
C3 C4 C5 118.7(6) . .
F43 C70 F44 107.1(7) . .
F43 C70 F45 108.1(7) . .
F44 C70 F45 104.3(6) . .
F43 C70 C69 111.1(6) . .
F44 C70 C69 112.7(5) . .
F45 C70 C69 113.1(7) . .
C37 C38 C39 121.3(6) . .
C37 C38 H38 119.4 . .
C39 C38 H38 119.4 . .
C92 C93 C94 121.2(6) . .
C92 C93 H93 119.4 . .
C94 C93 H93 119.4 . .
C80 C81 N5 110.2(5) . .
C80 C81 C82 111.4(6) . .
N5 C81 C82 104.6(5) . .
C80 C81 C84 116.2(6) . .
N5 C81 C84 99.4(5) . .
C82 C81 C84 113.6(5) . .
F25 C40 F27 108.1(6) . .
F25 C40 F26 105.3(6) . .
F27 C40 F26 107.3(5) . .
F25 C40 C39 111.6(5) . .
F27 C40 C39 110.1(5) . .
F26 C40 C39 114.2(6) . .
C105 C104 H10G 109.5 . .
C105 C104 H10H 109.5 . .
H10G C104 H10H 109.5 . .
C105 C104 H10I 109.5 . .
H10G C104 H10I 109.5 . .
H10H C104 H10I 109.5 . .
C69 C68 C67 121.4(6) . .
C69 C68 H68 119.3 . .
C67 C68 H68 119.3 . .
F53 C90 F54 108.5(7) . .
F53 C90 F52 106.9(6) . .
F54 C90 F52 106.5(6) . .
F53 C90 C89 112.3(5) . .
F54 C90 C89 110.0(5) . .
F52 C90 C89 112.4(6) . .
C89 C88 C87 121.9(6) . .
C89 C88 H88 119.0 . .
C87 C88 H88 119.0 . .
C27 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C27 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C27 C25 H25A 109.5 . .
C27 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C27 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
F40 C65 F41 106.7(6) . .
F40 C65 F42 107.5(6) . .
F41 C65 F42 107.7(6) . .
F40 C65 C64 113.3(5) . .
F41 C65 C64 112.1(6) . .
F42 C65 C64 109.3(6) . .
N2 C28 C30 110.8(5) . .
N2 C28 C29 106.0(5) . .
C30 C28 C29 109.8(6) . .
N2 C28 C27 98.8(5) . .
C30 C28 C27 116.1(6) . .
C29 C28 C27 114.4(5) . .
C48 C46 H46A 109.5 . .
C48 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C48 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
F13 C5 F15 108.2(8) . .
F13 C5 F14 107.0(7) . .
F15 C5 F14 108.0(7) . .
F13 C5 C4 111.3(6) . .
F15 C5 C4 112.5(7) . .
F14 C5 C4 109.6(7) . .
O26 C99 C98 128.7(6) . .
O26 C99 C100 113.6(7) . .
C98 C99 C100 117.7(6) . .
O18 C59 C60 105.7(5) . .
O18 C59 H59A 110.6 . .
C60 C59 H59A 110.6 . .
O18 C59 H59B 110.6 . .
C60 C59 H59B 110.6 . .
H59A C59 H59B 108.7 . .
F39 C61 F38 108.5(7) . .
F39 C61 F37 106.4(6) . .
F38 C61 F37 104.7(6) . .
F39 C61 C62 112.5(6) . .
F38 C61 C62 113.4(6) . .
F37 C61 C62 110.8(6) . .
C44 C43 C42 121.0(6) . .
C44 C43 H43 119.5 . .
C42 C43 H43 119.5 . .
F11 C15 F10 107.5(6) . .
F11 C15 F12 106.6(6) . .
F10 C15 F12 105.6(6) . .
F11 C15 C14 110.2(6) . .
F10 C15 C14 114.3(6) . .
F12 C15 C14 112.3(5) . .
F55 C95 F56 107.4(5) . .
F55 C95 F57 106.5(6) . .
F56 C95 F57 107.1(6) . .
F55 C95 C94 112.2(6) . .
F56 C95 C94 113.9(6) . .
F57 C95 C94 109.3(5) . .
O34 C114 C115 112.5(6) . .
O34 C114 H11A 109.1 . .
C115 C114 H11A 109.1 . .
O34 C114 H11B 109.1 . .
C115 C114 H11B 109.1 . .
H11A C114 H11B 107.8 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C81 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C81 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C4 C3 C2 120.1(6) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
N1 C27 C25 111.6(5) . .
N1 C27 C26 105.8(5) . .
C25 C27 C26 110.6(6) . .
N1 C27 C28 99.9(5) . .
C25 C27 C28 114.7(6) . .
C26 C27 C28 113.4(5) . .
F16 C1 F18 108.5(7) . .
F16 C1 F17 106.4(7) . .
F18 C1 F17 107.3(9) . .
F16 C1 C2 113.5(7) . .
F18 C1 C2 111.3(6) . .
F17 C1 C2 109.7(7) . .
C84 C85 H85A 109.5 . .
C84 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C84 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
F5 C10 F4 108.6(6) . .
F5 C10 F6 106.0(5) . .
F4 C10 F6 105.9(6) . .
F5 C10 C9 112.8(6) . .
F4 C10 C9 113.5(5) . .
F6 C10 C9 109.6(6) . .
C109 C108 C113 118.7(6) . .
C109 C108 C107 122.0(5) . .
C113 C108 C107 119.2(6) . .
N7 C102 C103 106.3(6) . .
N7 C102 C101 109.7(5) . .
C103 C102 C101 112.0(6) . .
N7 C102 C105 100.1(5) . .
C103 C102 C105 114.5(6) . .
C101 C102 C105 113.3(6) . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
F22 C35 F24 107.6(5) . .
F22 C35 F23 107.7(5) . .
F24 C35 F23 106.8(5) . .
F22 C35 C34 113.5(5) . .
F24 C35 C34 110.4(5) . .
F23 C35 C34 110.5(5) . .
C12 C13 C14 121.2(6) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C51 C49 H49A 109.5 . .
C51 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C51 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C102 C103 H10J 109.5 . .
C102 C103 H10K 109.5 . .
H10J C103 H10K 109.5 . .
C102 C103 H10L 109.5 . .
H10J C103 H10L 109.5 . .
H10K C103 H10L 109.5 . .
C81 C80 H80A 109.5 . .
C81 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C81 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
N6 C84 C85 109.9(5) . .
N6 C84 C83 106.4(6) . .
C85 C84 C83 110.8(6) . .
N6 C84 C81 100.6(5) . .
C85 C84 C81 115.6(6) . .
C83 C84 C81 112.7(5) . .
C62 C63 C64 120.4(6) . .
C62 C63 H63 119.8 . .
C64 C63 H63 119.8 . .
F63 C96 F62 107.8(7) . .
F63 C96 F61 106.1(6) . .
F62 C96 F61 104.6(6) . .
F63 C96 C97 110.8(6) . .
F62 C96 C97 111.8(5) . .
F61 C96 C97 115.2(6) . .
O25 C72 C71 107.3(6) . .
O25 C72 H72A 110.2 . .
C71 C72 H72A 110.2 . .
O25 C72 H72B 110.2 . .
C71 C72 H72B 110.2 . .
H72A C72 H72B 108.5 . .
C114 C115 H11C 109.5 . .
C114 C115 H11D 109.5 . .
H11C C115 H11D 109.5 . .
C114 C115 H11E 109.5 . .
H11C C115 H11E 109.5 . .
H11D C115 H11E 109.5 . .
F66 C100 F64 108.9(7) . .
F66 C100 F65 106.1(8) . .
F64 C100 F65 104.9(8) . .
F66 C100 C99 111.4(7) . .
F64 C100 C99 114.1(7) . .
F65 C100 C99 111.0(6) . .
N8 C105 C106 109.9(5) . .
N8 C105 C104 106.1(5) . .
C106 C105 C104 110.6(6) . .
N8 C105 C102 99.8(5) . .
C106 C105 C102 115.1(5) . .
C104 C105 C102 114.4(6) . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C9 C8 C7 121.5(6) . .
C9 C8 H8 119.3 . .
C7 C8 H8 119.3 . .
C72 C71 H71A 109.5 . .
C72 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C72 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C48 C47 H47A 109.5 . .
C48 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C48 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy2 O13 2.327(4) .
Dy2 O11 2.332(4) .
Dy2 O15 2.347(4) .
Dy2 O16 2.357(4) .
Dy2 O12 2.365(4) .
Dy2 O14 2.366(4) .
Dy2 O10 2.385(4) .
Dy2 O8 2.391(4) .
Dy3 O27 2.330(4) .
Dy3 O30 2.330(4) .
Dy3 O29 2.334(4) .
Dy3 O24 2.349(4) .
Dy3 O28 2.353(4) .
Dy3 O31 2.377(4) .
Dy3 O26 2.383(4) .
Dy3 O32 2.401(4) .
Dy1 O5 2.339(4) .
Dy1 O2 2.339(4) .
Dy1 O33 2.342(4) 1_645
Dy1 O4 2.357(4) .
Dy1 O6 2.366(4) .
Dy1 O1 2.366(4) .
Dy1 O7 2.382(4) .
Dy1 O3 2.393(4) .
Cu1 O20 1.932(4) .
Cu1 O22 1.937(4) .
Cu1 O21 1.938(4) .
Cu1 O19 1.944(4) .
Cu1 O17 2.429(4) .
Cu1 O23 2.502(4) .
O22 C67 1.272(8) .
O3 C2 1.238(7) .
O14 C42 1.261(8) .
O21 C69 1.253(7) .
O20 C64 1.250(8) .
F19 C31 1.348(7) .
O1 C7 1.269(7) .
F30 C36 1.348(7) .
O13 C37 1.264(7) .
F41 C65 1.325(8) .
F24 C35 1.329(7) .
O19 C62 1.262(8) .
O9 C18 1.373(7) .
O9 C17 1.430(7) .
O16 N3 1.303(6) .
N4 O17 1.281(6) .
N4 C52 1.372(7) .
N4 C51 1.499(7) .
O27 C97 1.249(7) .
O32 N7 1.293(6) .
F12 C15 1.349(8) .
O6 C14 1.261(7) .
O5 C12 1.258(7) .
O8 N2 1.297(6) .
F55 C95 1.326(8) .
O33 N8 1.301(6) .
O33 Dy1 2.342(4) 1_465
F28 C36 1.340(8) .
F8 C11 1.335(8) .
F6 C10 1.346(8) .
F26 C40 1.320(7) .
F29 C36 1.333(8) .
O30 C92 1.268(7) .
O15 C44 1.255(7) .
O31 C94 1.245(8) .
O11 C34 1.248(7) .
F23 C35 1.338(7) .
O4 C4 1.252(7) .
O10 C32 1.258(7) .
F53 C90 1.315(8) .
N5 O23 1.275(7) .
N5 C79 1.358(8) .
N5 C81 1.522(8) .
C107 N8 1.358(7) .
C107 N7 1.359(7) .
C107 C108 1.438(8) .
F35 C45 1.333(7) .
F5 C10 1.316(8) .
O18 C56 1.362(7) .
O18 C59 1.451(7) .
O34 C111 1.354(7) .
O34 C114 1.440(7) .
O2 C9 1.257(7) .
F10 C15 1.333(8) .
O29 C89 1.282(7) .
F7 C11 1.317(7) .
F47 C66 1.323(8) .
N6 O24 1.296(6) .
N6 C79 1.336(8) .
N6 C84 1.504(8) .
F34 C45 1.327(8) .
N3 C52 1.346(7) .
N3 C48 1.517(7) .
F44 C70 1.311(8) .
F31 C41 1.346(8) .
N7 C102 1.498(8) .
F32 C41 1.319(8) .
O7 N1 1.291(6) .
N1 C24 1.359(8) .
N1 C27 1.505(7) .
O28 C87 1.268(7) .
C55 C54 1.374(8) .
C55 C56 1.404(8) .
C55 H55 0.9300 .
C18 C19 1.393(9) .
C18 C23 1.393(9) .
N2 C24 1.347(8) .
N2 C28 1.514(8) .
N8 C105 1.498(7) .
O12 C39 1.249(7) .
C9 C8 1.378(9) .
C9 C10 1.538(8) .
F36 C45 1.316(8) .
C77 C78 1.366(9) .
C77 C76 1.414(9) .
C77 H77 0.9300 .
O26 C99 1.244(7) .
F58 C91 1.337(8) .
F59 C91 1.337(8) .
F20 C31 1.333(8) .
C24 C21 1.462(8) .
C2 C3 1.405(10) .
C2 C1 1.565(10) .
C7 C8 1.381(9) .
C7 C6 1.542(8) .
F11 C15 1.331(8) .
F52 C90 1.340(8) .
C106 C105 1.517(8) .
C106 H10A 0.9600 .
C106 H10B 0.9600 .
C106 H10C 0.9600 .
F57 C95 1.334(8) .
C53 C54 1.394(8) .
C53 C58 1.413(8) .
C53 C52 1.445(8) .
C12 C13 1.386(9) .
C12 C11 1.538(9) .
F42 C65 1.327(8) .
F33 C41 1.331(8) .
C32 C33 1.379(9) .
C32 C31 1.547(8) .
F25 C40 1.311(8) .
F56 C95 1.329(8) .
O25 C73 1.362(8) .
O25 C72 1.448(8) .
C109 C110 1.379(9) .
C109 C108 1.404(8) .
C109 H109 0.9300 .
F46 C66 1.341(7) .
F48 C66 1.330(8) .
F49 C86 1.315(9) .
C58 C57 1.375(8) .
C58 H58 0.9300 .
C6 F2 1.336(8) .
C6 F3 1.338(8) .
C6 F1 1.341(8) .
F60 C91 1.325(8) .
F16 C1 1.291(8) .
F40 C65 1.325(8) .
C39 C38 1.389(9) .
C39 C40 1.534(9) .
C64 C63 1.401(9) .
C64 C65 1.532(9) .
C21 C20 1.397(8) .
C21 C22 1.402(9) .
C89 C88 1.375(9) .
C89 C90 1.533(9) .
C62 C63 1.388(9) .
C62 C61 1.532(9) .
C113 C112 1.382(9) .
C113 C108 1.406(8) .
C113 H113 0.9300 .
C37 C38 1.383(9) .
C37 C36 1.537(9) .
C45 C44 1.541(8) .
C51 C50 1.511(8) .
C51 C49 1.534(8) .
C51 C48 1.567(8) .
C75 C76 1.374(9) .
C75 C74 1.391(9) .
C75 H75 0.9300 .
F50 C86 1.337(9) .
F54 C90 1.334(8) .
C67 C68 1.388(9) .
C67 C66 1.535(9) .
C76 C79 1.473(8) .
C73 C74 1.403(9) .
C73 C78 1.405(9) .
F39 C61 1.307(9) .
C14 C13 1.394(9) .
C14 C15 1.532(9) .
C48 C46 1.511(8) .
C48 C47 1.530(8) .
F22 C35 1.323(7) .
C20 C19 1.379(9) .
C20 H20 0.9300 .
F21 C31 1.309(7) .
C34 C33 1.384(9) .
C34 C35 1.545(9) .
F9 C11 1.319(8) .
F62 C96 1.307(8) .
C41 C42 1.537(8) .
C110 C111 1.402(9) .
C110 H110 0.9300 .
C22 C23 1.388(9) .
C22 H22 0.9300 .
F51 C86 1.343(8) .
C23 H23 0.9300 .
C33 H33 0.9300 .
C78 H78 0.9300 .
C97 C98 1.389(10) .
C97 C96 1.537(9) .
C57 C56 1.395(8) .
C57 H57 0.9300 .
F37 C61 1.315(8) .
F61 C96 1.321(7) .
F63 C96 1.299(8) .
C98 C99 1.397(10) .
C98 H98 0.9300 .
C17 C16 1.504(9) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
F13 C5 1.318(10) .
C19 H19 0.9300 .
C94 C93 1.399(9) .
C94 C95 1.539(8) .
C112 C111 1.403(9) .
C112 H112 0.9300 .
C87 C88 1.385(9) .
C87 C86 1.533(9) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C42 C43 1.397(9) .
F15 C5 1.318(8) .
C44 C43 1.382(9) .
C91 C92 1.528(9) .
C54 H54 0.9300 .
C83 C84 1.522(9) .
C83 H83A 0.9600 .
C83 H83B 0.9600 .
C83 H83C 0.9600 .
C69 C68 1.386(9) .
C69 C70 1.533(9) .
C30 C28 1.531(8) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C92 C93 1.396(9) .
C101 C102 1.519(9) .
C101 H10D 0.9600 .
C101 H10E 0.9600 .
C101 H10F 0.9600 .
C74 H74 0.9300 .
C4 C3 1.382(10) .
C4 C5 1.557(9) .
C70 F43 1.285(9) .
C70 F45 1.316(9) .
C38 H38 0.9300 .
F65 C100 1.313(9) .
C93 H93 0.9300 .
C81 C80 1.497(9) .
C81 C82 1.543(9) .
C81 C84 1.547(10) .
C40 F27 1.318(8) .
C104 C105 1.519(9) .
C104 H10G 0.9600 .
C104 H10H 0.9600 .
C104 H10I 0.9600 .
C68 H68 0.9300 .
C88 H88 0.9300 .
C26 C27 1.539(9) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C25 C27 1.520(8) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C28 C29 1.539(9) .
C28 C27 1.540(9) .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C5 F14 1.328(10) .
C99 C100 1.544(9) .
C59 C60 1.514(9) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
F64 C100 1.307(10) .
C61 F38 1.314(8) .
C43 H43 0.9300 .
C114 C115 1.481(11) .
C114 H11A 0.9700 .
C114 H11B 0.9700 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
F66 C100 1.297(10) .
C3 H3 0.9300 .
C1 F18 1.291(10) .
C1 F17 1.297(10) .
C85 C84 1.521(9) .
C85 H85A 0.9600 .
C85 H85B 0.9600 .
C85 H85C 0.9600 .
C10 F4 1.320(8) .
C102 C103 1.507(9) .
C102 C105 1.560(8) .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C13 H13 0.9300 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C103 H10J 0.9600 .
C103 H10K 0.9600 .
C103 H10L 0.9600 .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C63 H63 0.9300 .
C72 C71 1.491(10) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C115 H11C 0.9600 .
C115 H11D 0.9600 .
C115 H11E 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C8 H8 0.9300 .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
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
O20 Cu1 O22 C67 -100.9(8) .
O21 Cu1 O22 C67 -6.1(5) .
O19 Cu1 O22 C67 161.8(5) .
O17 Cu1 O22 C67 75.3(5) .
O23 Cu1 O22 C67 -102.5(5) .
O5 Dy1 O3 C2 -25.0(7) .
O2 Dy1 O3 C2 161.9(6) .
O33 Dy1 O3 C2 -91.7(6) 1_645
O4 Dy1 O3 C2 -8.6(6) .
O6 Dy1 O3 C2 107.8(6) .
O1 Dy1 O3 C2 -145.8(5) .
O7 Dy1 O3 C2 70.2(6) .
O13 Dy2 O14 C42 -34.8(7) .
O11 Dy2 O14 C42 156.4(6) .
O15 Dy2 O14 C42 -11.1(5) .
O16 Dy2 O14 C42 60.8(5) .
O12 Dy2 O14 C42 112.5(5) .
O10 Dy2 O14 C42 -147.8(5) .
O8 Dy2 O14 C42 -90.4(6) .
O20 Cu1 O21 C69 174.7(5) .
O22 Cu1 O21 C69 10.9(5) .
O19 Cu1 O21 C69 -89.1(10) .
O17 Cu1 O21 C69 -81.7(5) .
O23 Cu1 O21 C69 99.2(5) .
O22 Cu1 O20 C64 -83.9(8) .
O21 Cu1 O20 C64 -179.4(5) .
O19 Cu1 O20 C64 12.9(5) .
O17 Cu1 O20 C64 100.0(5) .
O23 Cu1 O20 C64 -82.2(5) .
O5 Dy1 O1 C7 140.9(6) .
O2 Dy1 O1 C7 -19.7(5) .
O33 Dy1 O1 C7 -126.2(6) 1_645
O4 Dy1 O1 C7 -177.3(5) .
O6 Dy1 O1 C7 65.3(5) .
O7 Dy1 O1 C7 38.3(6) .
O3 Dy1 O1 C7 -72.4(6) .
O11 Dy2 O13 C37 -30.9(6) .
O15 Dy2 O13 C37 142.4(6) .
O16 Dy2 O13 C37 78.1(5) .
O12 Dy2 O13 C37 9.0(5) .
O14 Dy2 O13 C37 165.9(5) .
O10 Dy2 O13 C37 -68.3(5) .
O8 Dy2 O13 C37 -142.7(5) .
O20 Cu1 O19 C62 -5.9(5) .
O22 Cu1 O19 C62 158.1(5) .
O21 Cu1 O19 C62 -101.5(10) .
O17 Cu1 O19 C62 -108.8(5) .
O23 Cu1 O19 C62 70.2(5) .
O13 Dy2 O16 N3 -90.4(5) .
O11 Dy2 O16 N3 52.5(5) .
O15 Dy2 O16 N3 -159.3(5) .
O12 Dy2 O16 N3 -21.7(5) .
O14 Dy2 O16 N3 123.6(5) .
O10 Dy2 O16 N3 -7.3(7) .
O8 Dy2 O16 N3 166.7(5) .
O30 Dy3 O27 C97 -12.4(8) .
O29 Dy3 O27 C97 174.7(6) .
O24 Dy3 O27 C97 -73.2(6) .
O28 Dy3 O27 C97 -129.9(6) .
O31 Dy3 O27 C97 129.4(6) .
O26 Dy3 O27 C97 5.3(6) .
O32 Dy3 O27 C97 75.6(6) .
O27 Dy3 O32 N7 109.8(5) .
O30 Dy3 O32 N7 -99.5(5) .
O29 Dy3 O32 N7 39.7(5) .
O24 Dy3 O32 N7 155.7(5) .
O28 Dy3 O32 N7 -26.4(7) .
O31 Dy3 O32 N7 -29.8(5) .
O26 Dy3 O32 N7 -173.5(6) .
C52 N4 O17 Cu1 78.3(7) .
C51 N4 O17 Cu1 -111.6(5) .
O20 Cu1 O17 N4 -97.4(5) .
O22 Cu1 O17 N4 83.7(5) .
O21 Cu1 O17 N4 176.6(5) .
O19 Cu1 O17 N4 -5.0(5) .
O23 Cu1 O17 N4 -161(3) .
O5 Dy1 O6 C14 -10.7(5) .
O2 Dy1 O6 C14 146.0(5) .
O33 Dy1 O6 C14 51.8(6) 1_645
O4 Dy1 O6 C14 -64.8(6) .
O1 Dy1 O6 C14 71.4(5) .
O7 Dy1 O6 C14 -124.9(5) .
O3 Dy1 O6 C14 -162.1(5) .
O2 Dy1 O5 C12 -36.7(7) .
O33 Dy1 O5 C12 -143.7(5) 1_645
O4 Dy1 O5 C12 138.2(6) .
O6 Dy1 O5 C12 5.8(5) .
O1 Dy1 O5 C12 -70.1(5) .
O7 Dy1 O5 C12 72.3(6) .
O3 Dy1 O5 C12 154.7(5) .
O13 Dy2 O8 N2 51.4(5) .
O11 Dy2 O8 N2 -90.9(5) .
O15 Dy2 O8 N2 126.9(5) .
O16 Dy2 O8 N2 159.7(5) .
O12 Dy2 O8 N2 -5.3(7) .
O14 Dy2 O8 N2 -155.5(5) .
O10 Dy2 O8 N2 -23.6(5) .
O27 Dy3 O30 C92 176.2(5) .
O29 Dy3 O30 C92 -13.7(7) .
O24 Dy3 O30 C92 -128.0(6) .
O28 Dy3 O30 C92 -55.1(6) .
O31 Dy3 O30 C92 25.5(5) .
O26 Dy3 O30 C92 158.8(6) .
O32 Dy3 O30 C92 93.3(6) .
O13 Dy2 O15 C44 -178.3(6) .
O11 Dy2 O15 C44 -5.5(7) .
O16 Dy2 O15 C44 -67.9(5) .
O12 Dy2 O15 C44 -120.1(5) .
O14 Dy2 O15 C44 14.8(5) .
O10 Dy2 O15 C44 134.2(5) .
O8 Dy2 O15 C44 89.3(5) .
O27 Dy3 O31 C94 176.3(5) .
O30 Dy3 O31 C94 -21.9(5) .
O29 Dy3 O31 C94 131.3(6) .
O24 Dy3 O31 C94 45.1(7) .
O28 Dy3 O31 C94 54.8(5) .
O26 Dy3 O31 C94 -84.1(6) .
O32 Dy3 O31 C94 -127.1(6) .
O13 Dy2 O11 C34 -26.6(6) .
O15 Dy2 O11 C34 164.3(5) .
O16 Dy2 O11 C34 -139.6(5) .
O12 Dy2 O11 C34 -66.2(5) .
O14 Dy2 O11 C34 143.8(6) .
O10 Dy2 O11 C34 11.3(5) .
O8 Dy2 O11 C34 79.6(5) .
O5 Dy1 O4 C4 175.6(6) .
O2 Dy1 O4 C4 -9.4(7) .
O33 Dy1 O4 C4 82.3(6) 1_645
O6 Dy1 O4 C4 -129.1(6) .
O1 Dy1 O4 C4 131.9(6) .
O7 Dy1 O4 C4 -69.2(6) .
O3 Dy1 O4 C4 6.4(6) .
O13 Dy2 O10 C32 141.8(5) .
O11 Dy2 O10 C32 -14.4(5) .
O15 Dy2 O10 C32 -170.7(4) .
O16 Dy2 O10 C32 50.2(6) .
O12 Dy2 O10 C32 64.7(5) .
O14 Dy2 O10 C32 -69.7(5) .
O8 Dy2 O10 C32 -125.6(5) .
O5 Dy1 O2 C9 -21.1(7) .
O33 Dy1 O2 C9 82.5(6) 1_645
O4 Dy1 O2 C9 167.2(5) .
O6 Dy1 O2 C9 -62.0(6) .
O1 Dy1 O2 C9 13.2(5) .
O7 Dy1 O2 C9 -136.4(6) .
O3 Dy1 O2 C9 151.5(6) .
O27 Dy3 O29 C89 145.9(6) .
O30 Dy3 O29 C89 -29.0(6) .
O24 Dy3 O29 C89 81.6(5) .
O28 Dy3 O29 C89 12.5(5) .
O31 Dy3 O29 C89 -68.6(5) .
O26 Dy3 O29 C89 163.3(5) .
O32 Dy3 O29 C89 -137.5(5) .
Dy2 O16 N3 C52 83.0(7) .
Dy2 O16 N3 C48 -108.0(6) .
Dy3 O32 N7 C107 91.3(7) .
Dy3 O32 N7 C102 -98.6(6) .
N8 C107 N7 O32 -179.9(5) .
C108 C107 N7 O32 -1.6(10) .
N8 C107 N7 C102 9.4(7) .
C108 C107 N7 C102 -172.3(6) .
O5 Dy1 O7 N1 -88.0(6) .
O2 Dy1 O7 N1 58.9(6) .
O33 Dy1 O7 N1 160.8(5) 1_645
O4 Dy1 O7 N1 -151.4(6) .
O6 Dy1 O7 N1 -22.1(5) .
O1 Dy1 O7 N1 4.8(7) .
O3 Dy1 O7 N1 132.7(6) .
Dy1 O7 N1 C24 81.1(7) .
Dy1 O7 N1 C27 -109.3(6) .
O27 Dy3 O28 C87 -69.2(6) .
O30 Dy3 O28 C87 137.4(5) .
O29 Dy3 O28 C87 -14.6(5) .
O24 Dy3 O28 C87 -124.3(5) .
O31 Dy3 O28 C87 60.6(5) .
O26 Dy3 O28 C87 -169.8(5) .
O32 Dy3 O28 C87 57.2(6) .
C17 O9 C18 C19 -168.1(5) .
C17 O9 C18 C23 11.2(9) .
Dy2 O8 N2 C24 82.4(7) .
Dy2 O8 N2 C28 -106.5(6) .
Dy1 O33 N8 C107 91.5(8) 1_465
Dy1 O33 N8 C105 -101.9(7) 1_465
N7 C107 N8 O33 176.9(5) .
C108 C107 N8 O33 -1.4(10) .
N7 C107 N8 C105 9.4(7) .
C108 C107 N8 C105 -168.8(6) .
O13 Dy2 O12 C39 -11.0(5) .
O11 Dy2 O12 C39 144.0(5) .
O15 Dy2 O12 C39 -70.0(5) .
O16 Dy2 O12 C39 -120.3(5) .
O14 Dy2 O12 C39 -173.1(5) .
O10 Dy2 O12 C39 67.8(5) .
O8 Dy2 O12 C39 49.4(6) .
Dy1 O2 C9 C8 -5.5(10) .
Dy1 O2 C9 C10 174.4(4) .
C79 N5 O23 Cu1 79.6(7) .
C81 N5 O23 Cu1 -108.4(5) .
O20 Cu1 O23 N5 166.2(5) .
O22 Cu1 O23 N5 -14.2(5) .
O21 Cu1 O23 N5 -107.4(5) .
O19 Cu1 O23 N5 74.4(5) .
O17 Cu1 O23 N5 -129(4) .
C79 N6 O24 Dy3 85.1(8) .
C84 N6 O24 Dy3 -107.0(7) .
O27 Dy3 O24 N6 -159.0(6) .
O30 Dy3 O24 N6 46.1(6) .
O29 Dy3 O24 N6 -94.3(6) .
O28 Dy3 O24 N6 -26.1(6) .
O31 Dy3 O24 N6 -16.3(8) .
O26 Dy3 O24 N6 123.3(6) .
O32 Dy3 O24 N6 152.8(6) .
O27 Dy3 O26 C99 -1.3(5) .
O30 Dy3 O26 C99 170.0(6) .
O29 Dy3 O26 C99 -18.5(7) .
O24 Dy3 O26 C99 73.1(6) .
O28 Dy3 O26 C99 118.8(6) .
O31 Dy3 O26 C99 -129.8(5) .
O32 Dy3 O26 C99 -85.7(6) .
O8 N2 C24 N1 -176.9(5) .
C28 N2 C24 N1 11.3(7) .
O8 N2 C24 C21 1.7(10) .
C28 N2 C24 C21 -170.0(6) .
O7 N1 C24 N2 -178.6(5) .
C27 N1 C24 N2 11.0(7) .
O7 N1 C24 C21 2.7(9) .
C27 N1 C24 C21 -167.6(6) .
Dy1 O3 C2 C3 7.9(11) .
Dy1 O3 C2 C1 -174.1(4) .
Dy1 O1 C7 C8 19.9(10) .
Dy1 O1 C7 C6 -160.6(4) .
Dy1 O5 C12 C13 -0.8(10) .
Dy1 O5 C12 C11 -179.7(4) .
Dy2 O10 C32 C33 14.2(9) .
Dy2 O10 C32 C31 -163.1(4) .
C54 C53 C58 C57 -1.6(9) .
C52 C53 C58 C57 177.8(6) .
O1 C7 C6 F2 -65.9(7) .
C8 C7 C6 F2 113.7(7) .
O1 C7 C6 F3 173.7(6) .
C8 C7 C6 F3 -6.7(9) .
O1 C7 C6 F1 53.4(8) .
C8 C7 C6 F1 -127.0(7) .
Dy2 O12 C39 C38 10.1(10) .
Dy2 O12 C39 C40 -168.5(4) .
Cu1 O20 C64 C63 -14.7(9) .
Cu1 O20 C64 C65 163.0(4) .
N2 C24 C21 C20 -151.2(6) .
N1 C24 C21 C20 27.2(9) .
N2 C24 C21 C22 29.2(9) .
N1 C24 C21 C22 -152.4(6) .
Dy3 O29 C89 C88 -8.7(10) .
Dy3 O29 C89 C90 167.6(4) .
Cu1 O19 C62 C63 -0.5(10) .
Cu1 O19 C62 C61 179.5(4) .
Dy2 O13 C37 C38 -5.8(10) .
Dy2 O13 C37 C36 171.5(4) .
O17 N4 C51 C50 45.5(7) .
C52 N4 C51 C50 -143.3(5) .
O17 N4 C51 C49 -75.5(6) .
C52 N4 C51 C49 95.7(6) .
O17 N4 C51 C48 166.9(5) .
C52 N4 C51 C48 -21.9(6) .
Cu1 O22 C67 C68 -0.5(9) .
Cu1 O22 C67 C66 -179.9(4) .
C74 C75 C76 C77 -1.3(9) .
C74 C75 C76 C79 175.8(5) .
C78 C77 C76 C75 -0.1(9) .
C78 C77 C76 C79 -177.2(5) .
C72 O25 C73 C74 12.4(9) .
C72 O25 C73 C78 -166.6(6) .
Dy1 O6 C14 C13 11.4(10) .
Dy1 O6 C14 C15 -167.7(4) .
O16 N3 C48 C46 42.6(7) .
C52 N3 C48 C46 -147.2(5) .
O16 N3 C48 C47 -76.9(6) .
C52 N3 C48 C47 93.3(6) .
O16 N3 C48 C51 165.6(5) .
C52 N3 C48 C51 -24.2(6) .
N4 C51 C48 C46 143.6(5) .
C50 C51 C48 C46 -98.8(6) .
C49 C51 C48 C46 30.4(7) .
N4 C51 C48 N3 24.8(5) .
C50 C51 C48 N3 142.4(5) .
C49 C51 C48 N3 -88.4(6) .
N4 C51 C48 C47 -85.9(6) .
C50 C51 C48 C47 31.6(7) .
C49 C51 C48 C47 160.9(5) .
C22 C21 C20 C19 0.8(9) .
C24 C21 C20 C19 -178.8(5) .
Dy2 O11 C34 C33 -7.1(10) .
Dy2 O11 C34 C35 172.1(4) .
C108 C109 C110 C111 1.1(10) .
C20 C21 C22 C23 -2.0(9) .
C24 C21 C22 C23 177.6(5) .
O16 N3 C52 N4 -178.9(5) .
C48 N3 C52 N4 11.6(7) .
O16 N3 C52 C53 2.4(9) .
C48 N3 C52 C53 -167.1(6) .
O17 N4 C52 N3 178.5(5) .
C51 N4 C52 N3 7.6(7) .
O17 N4 C52 C53 -2.8(10) .
C51 N4 C52 C53 -173.7(6) .
C54 C53 C52 N3 29.3(9) .
C58 C53 C52 N3 -150.1(6) .
C54 C53 C52 N4 -149.1(6) .
C58 C53 C52 N4 31.4(9) .
C21 C22 C23 C18 0.6(9) .
O9 C18 C23 C22 -177.2(5) .
C19 C18 C23 C22 2.0(9) .
O10 C32 C33 C34 -2.5(10) .
C31 C32 C33 C34 174.8(5) .
O11 C34 C33 C32 -1.5(10) .
C35 C34 C33 C32 179.3(5) .
C76 C77 C78 C73 0.8(9) .
O25 C73 C78 C77 178.9(5) .
C74 C73 C78 C77 -0.2(9) .
Dy3 O27 C97 C98 -7.5(11) .
Dy3 O27 C97 C96 174.3(4) .
C53 C58 C57 C56 0.4(9) .
O27 C97 C98 C99 3.3(12) .
C96 C97 C98 C99 -178.6(6) .
O5 C12 C11 F7 -55.7(7) .
C13 C12 C11 F7 125.3(6) .
O5 C12 C11 F9 -179.5(6) .
C13 C12 C11 F9 1.4(9) .
O5 C12 C11 F8 61.1(7) .
C13 C12 C11 F8 -117.9(6) .
C18 O9 C17 C16 165.6(5) .
C21 C20 C19 C18 1.9(9) .
O9 C18 C19 C20 176.0(5) .
C23 C18 C19 C20 -3.3(9) .
O22 C67 C66 F47 -52.7(7) .
C68 C67 C66 F47 127.8(6) .
O22 C67 C66 F48 -172.9(5) .
C68 C67 C66 F48 7.6(9) .
O22 C67 C66 F46 66.9(8) .
C68 C67 C66 F46 -112.6(7) .
O13 C37 C36 F29 42.2(8) .
C38 C37 C36 F29 -140.2(6) .
O13 C37 C36 F28 -77.9(7) .
C38 C37 C36 F28 99.7(7) .
O13 C37 C36 F30 163.5(5) .
C38 C37 C36 F30 -18.9(8) .
Dy3 O31 C94 C93 14.5(10) .
Dy3 O31 C94 C95 -161.9(4) .
C108 C113 C112 C111 0.4(10) .
O10 C32 C31 F21 73.6(7) .
C33 C32 C31 F21 -104.0(7) .
O10 C32 C31 F20 -163.5(5) .
C33 C32 C31 F20 18.8(8) .
O10 C32 C31 F19 -45.2(7) .
C33 C32 C31 F19 137.1(6) .
Dy3 O28 C87 C88 13.4(10) .
Dy3 O28 C87 C86 -164.2(4) .
Dy2 O14 C42 C43 4.7(10) .
Dy2 O14 C42 C41 -173.8(4) .
F32 C41 C42 O14 -165.0(6) .
F33 C41 C42 O14 74.1(8) .
F31 C41 C42 O14 -44.2(8) .
F32 C41 C42 C43 16.3(9) .
F33 C41 C42 C43 -104.7(7) .
F31 C41 C42 C43 137.0(6) .
Dy2 O15 C44 C43 -12.7(10) .
Dy2 O15 C44 C45 169.8(4) .
F36 C45 C44 O15 57.4(7) .
F34 C45 C44 O15 178.3(6) .
F35 C45 C44 O15 -62.4(8) .
F36 C45 C44 C43 -120.4(7) .
F34 C45 C44 C43 0.5(9) .
F35 C45 C44 C43 119.7(7) .
C56 C55 C54 C53 1.8(9) .
C58 C53 C54 C55 0.5(9) .
C52 C53 C54 C55 -178.9(6) .
C114 O34 C111 C110 -179.2(6) .
C114 O34 C111 C112 1.3(10) .
C109 C110 C111 O34 178.3(6) .
C109 C110 C111 C112 -2.1(10) .
C113 C112 C111 O34 -179.2(6) .
C113 C112 C111 C110 1.4(10) .
C59 O18 C56 C57 9.0(9) .
C59 O18 C56 C55 -171.0(6) .
C58 C57 C56 O18 -178.1(6) .
C58 C57 C56 C55 1.9(9) .
C54 C55 C56 O18 177.1(5) .
C54 C55 C56 C57 -2.9(9) .
O24 N6 C79 N5 178.4(5) .
C84 N6 C79 N5 9.7(7) .
O24 N6 C79 C76 -2.8(10) .
C84 N6 C79 C76 -171.5(6) .
O23 N5 C79 N6 -177.6(5) .
C81 N5 C79 N6 9.9(7) .
O23 N5 C79 C76 3.6(9) .
C81 N5 C79 C76 -169.0(5) .
C75 C76 C79 N6 -143.1(6) .
C77 C76 C79 N6 34.1(9) .
C75 C76 C79 N5 35.5(9) .
C77 C76 C79 N5 -147.3(6) .
Cu1 O21 C69 C68 -9.5(9) .
Cu1 O21 C69 C70 169.0(4) .
O28 C87 C86 F49 -159.0(6) .
C88 C87 C86 F49 23.1(9) .
O28 C87 C86 F50 -37.8(8) .
C88 C87 C86 F50 144.3(6) .
O28 C87 C86 F51 80.4(8) .
C88 C87 C86 F51 -97.5(8) .
Dy3 O30 C92 C93 -22.8(10) .
Dy3 O30 C92 C91 158.9(5) .
F60 C91 C92 O30 -53.4(8) .
F59 C91 C92 O30 -174.2(6) .
F58 C91 C92 O30 66.2(8) .
F60 C91 C92 C93 128.1(7) .
F59 C91 C92 C93 7.3(10) .
F58 C91 C92 C93 -112.3(7) .
C76 C75 C74 C73 2.0(9) .
O25 C73 C74 C75 179.8(5) .
C78 C73 C74 C75 -1.2(9) .
Dy1 O4 C4 C3 -3.1(12) .
Dy1 O4 C4 C5 179.8(5) .
O21 C69 C70 F43 -65.8(8) .
C68 C69 C70 F43 112.8(8) .
O21 C69 C70 F44 54.4(8) .
C68 C69 C70 F44 -127.0(7) .
O21 C69 C70 F45 172.4(6) .
C68 C69 C70 F45 -9.0(9) .
O13 C37 C38 C39 -1.5(10) .
C36 C37 C38 C39 -178.7(6) .
O12 C39 C38 C37 -0.9(10) .
C40 C39 C38 C37 177.7(6) .
O30 C92 C93 C94 1.4(11) .
C91 C92 C93 C94 179.7(6) .
O31 C94 C93 C92 2.7(11) .
C95 C94 C93 C92 179.0(6) .
O23 N5 C81 C80 40.7(8) .
C79 N5 C81 C80 -146.3(6) .
O23 N5 C81 C82 -79.2(7) .
C79 N5 C81 C82 93.8(6) .
O23 N5 C81 C84 163.2(5) .
C79 N5 C81 C84 -23.7(6) .
O12 C39 C40 F25 -37.3(8) .
C38 C39 C40 F25 143.9(6) .
O12 C39 C40 F27 82.7(7) .
C38 C39 C40 F27 -96.1(7) .
O12 C39 C40 F26 -156.6(5) .
C38 C39 C40 F26 24.7(8) .
O21 C69 C68 C67 0.0(11) .
C70 C69 C68 C67 -178.4(6) .
O22 C67 C68 C69 5.6(11) .
C66 C67 C68 C69 -175.0(6) .
O29 C89 C90 F53 48.9(8) .
C88 C89 C90 F53 -134.5(6) .
O29 C89 C90 F54 -72.1(7) .
C88 C89 C90 F54 104.5(7) .
O29 C89 C90 F52 169.5(5) .
C88 C89 C90 F52 -13.9(9) .
O29 C89 C88 C87 -1.1(11) .
C90 C89 C88 C87 -177.2(6) .
O28 C87 C88 C89 -1.5(11) .
C86 C87 C88 C89 176.1(6) .
O20 C64 C65 F40 159.5(6) .
C63 C64 C65 F40 -22.6(9) .
O20 C64 C65 F41 38.7(8) .
C63 C64 C65 F41 -143.3(6) .
O20 C64 C65 F42 -80.6(7) .
C63 C64 C65 F42 97.3(7) .
O8 N2 C28 C30 38.2(8) .
C24 N2 C28 C30 -149.7(5) .
O8 N2 C28 C29 -80.9(6) .
C24 N2 C28 C29 91.3(6) .
O8 N2 C28 C27 160.5(5) .
C24 N2 C28 C27 -27.4(6) .
O4 C4 C5 F13 58.4(9) .
C3 C4 C5 F13 -119.0(8) .
O4 C4 C5 F15 -179.9(7) .
C3 C4 C5 F15 2.6(11) .
O4 C4 C5 F14 -59.7(8) .
C3 C4 C5 F14 122.8(8) .
Dy3 O26 C99 C98 -0.9(11) .
Dy3 O26 C99 C100 179.9(4) .
C97 C98 C99 O26 1.0(12) .
C97 C98 C99 C100 -179.9(7) .
C56 O18 C59 C60 171.7(6) .
O19 C62 C61 F39 52.3(8) .
C63 C62 C61 F39 -127.7(7) .
O19 C62 C61 F38 175.9(7) .
C63 C62 C61 F38 -4.1(10) .
O19 C62 C61 F37 -66.7(8) .
C63 C62 C61 F37 113.3(7) .
O15 C44 C43 C42 -1.6(11) .
C45 C44 C43 C42 175.9(6) .
O14 C42 C43 C44 5.6(11) .
C41 C42 C43 C44 -175.9(6) .
O6 C14 C15 F11 80.9(7) .
C13 C14 C15 F11 -98.3(7) .
O6 C14 C15 F10 -157.9(6) .
C13 C14 C15 F10 22.9(9) .
O6 C14 C15 F12 -37.7(8) .
C13 C14 C15 F12 143.1(6) .
O31 C94 C95 F55 -40.7(8) .
C93 C94 C95 F55 142.5(6) .
O31 C94 C95 F56 -163.1(6) .
C93 C94 C95 F56 20.1(9) .
O31 C94 C95 F57 77.2(8) .
C93 C94 C95 F57 -99.6(7) .
C111 O34 C114 C115 81.7(8) .
O4 C4 C3 C2 -2.6(12) .
C5 C4 C3 C2 174.4(7) .
O3 C2 C3 C4 0.0(12) .
C1 C2 C3 C4 -177.9(7) .
O7 N1 C27 C25 40.0(8) .
C24 N1 C27 C25 -149.1(6) .
O7 N1 C27 C26 -80.4(6) .
C24 N1 C27 C26 90.5(6) .
O7 N1 C27 C28 161.7(5) .
C24 N1 C27 C28 -27.4(6) .
N2 C28 C27 N1 29.7(5) .
C30 C28 C27 N1 148.1(5) .
C29 C28 C27 N1 -82.4(6) .
N2 C28 C27 C25 149.2(5) .
C30 C28 C27 C25 -92.4(7) .
C29 C28 C27 C25 37.1(8) .
N2 C28 C27 C26 -82.5(6) .
C30 C28 C27 C26 35.9(8) .
C29 C28 C27 C26 165.5(6) .
O3 C2 C1 F16 162.2(7) .
C3 C2 C1 F16 -19.6(10) .
O3 C2 C1 F18 39.5(10) .
C3 C2 C1 F18 -142.3(8) .
O3 C2 C1 F17 -79.0(9) .
C3 C2 C1 F17 99.2(9) .
O2 C9 C10 F5 35.5(8) .
C8 C9 C10 F5 -144.6(6) .
O2 C9 C10 F4 159.5(6) .
C8 C9 C10 F4 -20.6(9) .
O2 C9 C10 F6 -82.3(7) .
C8 C9 C10 F6 97.5(7) .
C110 C109 C108 C113 0.7(9) .
C110 C109 C108 C107 -176.7(6) .
C112 C113 C108 C109 -1.5(9) .
C112 C113 C108 C107 176.1(6) .
N8 C107 C108 C109 -152.0(6) .
N7 C107 C108 C109 30.1(10) .
N8 C107 C108 C113 30.6(10) .
N7 C107 C108 C113 -147.3(6) .
O32 N7 C102 C103 -74.5(7) .
C107 N7 C102 C103 96.8(6) .
O32 N7 C102 C101 46.8(8) .
C107 N7 C102 C101 -142.0(6) .
O32 N7 C102 C105 166.1(5) .
C107 N7 C102 C105 -22.6(7) .
O11 C34 C35 F22 168.9(5) .
C33 C34 C35 F22 -11.8(8) .
O11 C34 C35 F24 -70.2(7) .
C33 C34 C35 F24 109.1(6) .
O11 C34 C35 F23 47.7(7) .
C33 C34 C35 F23 -133.0(6) .
O5 C12 C13 C14 -3.9(10) .
C11 C12 C13 C14 175.0(6) .
O6 C14 C13 C12 -1.6(10) .
C15 C14 C13 C12 177.5(6) .
O24 N6 C84 C85 44.2(8) .
C79 N6 C84 C85 -146.3(6) .
O24 N6 C84 C83 -75.8(7) .
C79 N6 C84 C83 93.6(6) .
O24 N6 C84 C81 166.6(5) .
C79 N6 C84 C81 -24.0(7) .
C80 C81 C84 N6 144.1(6) .
N5 C81 C84 N6 26.0(6) .
C82 C81 C84 N6 -84.6(6) .
C80 C81 C84 C85 -97.6(7) .
N5 C81 C84 C85 144.2(5) .
C82 C81 C84 C85 33.6(8) .
C80 C81 C84 C83 31.3(8) .
N5 C81 C84 C83 -86.9(6) .
C82 C81 C84 C83 162.5(6) .
O19 C62 C63 C64 3.2(11) .
C61 C62 C63 C64 -176.8(6) .
O20 C64 C63 C62 5.4(10) .
C65 C64 C63 C62 -172.2(6) .
O27 C97 C96 F63 -64.8(8) .
C98 C97 C96 F63 116.8(8) .
O27 C97 C96 F62 55.5(8) .
C98 C97 C96 F62 -122.9(7) .
O27 C97 C96 F61 174.7(6) .
C98 C97 C96 F61 -3.7(10) .
C73 O25 C72 C71 173.5(6) .
O26 C99 C100 F66 70.0(9) .
C98 C99 C100 F66 -109.2(9) .
O26 C99 C100 F64 -166.1(7) .
C98 C99 C100 F64 14.6(11) .
O26 C99 C100 F65 -47.9(10) .
C98 C99 C100 F65 132.8(8) .
O33 N8 C105 C106 48.0(7) .
C107 N8 C105 C106 -143.9(5) .
O33 N8 C105 C104 -71.6(7) .
C107 N8 C105 C104 96.5(6) .
O33 N8 C105 C102 169.3(5) .
C107 N8 C105 C102 -22.6(6) .
N7 C102 C105 N8 24.5(6) .
C103 C102 C105 N8 -88.8(6) .
C101 C102 C105 N8 141.2(6) .
N7 C102 C105 C106 142.0(5) .
C103 C102 C105 C106 28.8(8) .
C101 C102 C105 C106 -101.3(7) .
N7 C102 C105 C104 -88.4(6) .
C103 C102 C105 C104 158.4(6) .
C101 C102 C105 C104 28.3(8) .
O2 C9 C8 C7 -5.1(12) .
C10 C9 C8 C7 175.1(6) .
O1 C7 C8 C9 -2.5(12) .
C6 C7 C8 C9 177.9(6) .
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
1 0.000 0.000 0.500 240.9 19.2
2 0.087 0.288 0.176 10.5 -0.1
3 0.167 0.687 0.056 6.9 -0.2
4 0.388 0.498 0.967 21.1 2.9
5 0.429 0.792 0.547 20.9 1.0
6 0.571 0.208 0.453 20.9 1.0
7 0.612 0.502 0.033 21.0 2.7
8 0.833 0.312 0.944 6.9 -0.1
9 0.913 0.712 0.824 10.5 0.0
