#------------------------------------------------------------------------------
#$Date: 2019-11-24 00:18:55 +0200 (Sun, 24 Nov 2019) $
#$Revision: 235732 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/96/4349676.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_4349676
loop_
_publ_author_name
'Gao, Hong-Ling'
'Wang, Ni-Ni'
'Wang, Wen-Min'
'Shen, Hai-Yun'
'Zhou, Xiao-Pu'
'Chang, Yi-Xin'
'Zhang, Ru-Xia'
'Cui, Jian-Zhong'
_publ_section_title
;
 Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4
 complexes by β-diketonate coligands
;
_journal_issue                   5
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              860
_journal_paper_doi               10.1039/C7QI00034K
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C118 H108 Dy4 N16 O16 S6'
_chemical_formula_weight         2848.56
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-05-20 deposited with the CCDC.
2017-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.786(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.4701(18)
_cell_length_b                   14.820(2)
_cell_length_c                   31.502(5)
_cell_measurement_reflns_used    13475
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5753.5(15)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'ω and φ 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  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            59378
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.748
_exptl_absorpt_correction_T_max  0.7339
_exptl_absorpt_correction_T_min  0.6095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.829
_refine_diff_density_min         -1.379
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     728
_refine_ls_number_reflns         10122
_refine_ls_number_restraints     131
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0762
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0979P)²+97.7952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2103
_refine_ls_wR_factor_ref         0.2178
_reflns_number_gt                8556
_reflns_number_total             10122
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7qi00034k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        5753.6(15)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4349676
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Dy1 Dy 0.78705(4) 1.02459(4) 0.431377(16) 0.03858(19) Uani 1 1 d .
Dy2 Dy 0.97034(4) 0.87360(4) 0.494085(16) 0.04013(19) Uani 1 1 d .
S1 S 0.3066(7) 0.5133(5) 0.33263(19) 0.125(2) Uani 1 1 d U
S2 S 1.2225(5) 1.2864(4) 0.22170(19) 0.1032(19) Uani 1 1 d U
S3 S 1.1690(6) 1.0141(6) 0.1820(2) 0.131(2) Uani 1 1 d DU
O1 O 0.7834(7) 0.8751(6) 0.4582(3) 0.047(2) Uani 1 1 d .
O2 O 0.9156(7) 1.1460(6) 0.4389(3) 0.046(2) Uani 1 1 d .
O3 O 0.9467(6) 0.9449(6) 0.4238(2) 0.0427(19) Uani 1 1 d .
O4 O 0.6711(7) 1.1354(7) 0.4005(3) 0.050(2) Uani 1 1 d .
O5 O 0.6718(6) 1.0542(6) 0.4812(2) 0.046(2) Uani 1 1 d .
O6 O 0.9408(9) 0.7227(8) 0.4926(5) 0.092(4) Uani 1 1 d .
O7 O 1.1124(8) 0.8024(7) 0.4679(3) 0.057(2) Uani 1 1 d .
O8 O 0.8935(6) 1.0175(6) 0.4985(2) 0.0399(18) Uani 1 1 d .
H8 H 0.8486 1.0210 0.5222 0.048 Uiso 1 1 calc R
N1 N 0.6249(9) 0.9323(8) 0.3975(3) 0.050(3) Uani 1 1 d .
N2 N 0.4634(10) 0.6344(9) 0.3858(4) 0.061(3) Uani 1 1 d .
N3 N 1.1317(8) 1.1357(8) 0.4425(3) 0.046(3) Uani 1 1 d .
N4 N 1.1020(10) 1.2371(8) 0.2948(3) 0.055(3) Uani 1 1 d .
N5 N 0.8211(8) 1.0151(8) 0.3549(3) 0.049(3) Uani 1 1 d .
N6 N 1.1077(10) 0.9765(9) 0.2682(4) 0.060(3) Uani 1 1 d .
C1 C 0.5424(11) 0.9623(12) 0.3683(5) 0.061(4) Uani 1 1 d .
H1 H 0.5393 1.0248 0.3615 0.073 Uiso 1 1 calc R
C2 C 0.4608(11) 0.9056(11) 0.3474(5) 0.059(4) Uani 1 1 d .
H2 H 0.4074 0.9290 0.3254 0.070 Uiso 1 1 calc R
C3 C 0.4581(12) 0.8157(11) 0.3588(4) 0.060(4) Uani 1 1 d .
H3 H 0.4021 0.7769 0.3456 0.072 Uiso 1 1 calc R
C4 C 0.5423(11) 0.7825(10) 0.3914(4) 0.052(3) Uani 1 1 d .
C5 C 0.5438(11) 0.6945(10) 0.4061(4) 0.053(3) Uani 1 1 d .
C6 C 0.6247(13) 0.6696(11) 0.4386(5) 0.064(4) Uani 1 1 d .
H6 H 0.6270 0.6092 0.4487 0.077 Uiso 1 1 calc R
C7 C 0.7036(12) 0.7301(10) 0.4570(5) 0.060(4) Uani 1 1 d .
H7 H 0.7559 0.7109 0.4804 0.072 Uiso 1 1 calc R
C8 C 0.7076(10) 0.8192(10) 0.4419(4) 0.050(3) Uani 1 1 d .
C9 C 0.6241(10) 0.8457(10) 0.4100(3) 0.047(3) Uani 1 1 d .
C10 C 0.4316(11) 0.5681(10) 0.4062(4) 0.052(3) Uani 1 1 d .
H10 H 0.4621 0.5600 0.4355 0.062 Uiso 1 1 calc R
C11 C 0.3533(15) 0.5065(11) 0.3873(5) 0.070(4) Uani 1 1 d .
C12 C 0.2982(17) 0.4392(12) 0.4065(6) 0.080(5) Uani 1 1 d .
C13 C 0.220(2) 0.3988(18) 0.3756(9) 0.123(8) Uani 1 1 d U
H13 H 0.1701 0.3552 0.3830 0.148 Uiso 1 1 calc R
C14 C 0.220(3) 0.426(2) 0.3340(11) 0.152(11) Uani 1 1 d U
H14 H 0.1769 0.3997 0.3096 0.182 Uiso 1 1 calc R
C15 C 0.3282(17) 0.4106(14) 0.4509(6) 0.089(5) Uani 1 1 d U
H15A H 0.4074 0.4099 0.4583 0.133 Uiso 1 1 calc R
H15B H 0.2997 0.3499 0.4545 0.133 Uiso 1 1 calc R
H15C H 0.2977 0.4527 0.4699 0.133 Uiso 1 1 calc R
C16 C 1.2381(10) 1.1173(11) 0.4418(5) 0.057(4) Uani 1 1 d .
H16 H 1.2801 1.0942 0.4672 0.069 Uiso 1 1 calc R
C17 C 1.2877(11) 1.1304(11) 0.4068(4) 0.058(4) Uani 1 1 d .
H17 H 1.3629 1.1174 0.4087 0.069 Uiso 1 1 calc R
C18 C 1.2305(11) 1.1627(11) 0.3676(5) 0.059(4) Uani 1 1 d .
H18 H 1.2645 1.1705 0.3429 0.070 Uiso 1 1 calc R
C19 C 1.1185(10) 1.1830(9) 0.3674(4) 0.049(3) Uani 1 1 d .
C20 C 1.0521(10) 1.2189(9) 0.3298(4) 0.050(3) Uani 1 1 d .
C21 C 0.9450(11) 1.2371(9) 0.3333(4) 0.050(3) Uani 1 1 d .
H21 H 0.9011 1.2658 0.3099 0.060 Uiso 1 1 calc R
C22 C 0.8981(10) 1.2156(9) 0.3693(4) 0.048(3) Uani 1 1 d .
H22 H 0.8233 1.2280 0.3693 0.057 Uiso 1 1 calc R
C23 C 0.9580(9) 1.1767(9) 0.4051(3) 0.040(3) Uani 1 1 d .
C24 C 1.0722(9) 1.1656(9) 0.4047(4) 0.044(3) Uani 1 1 d .
C25 C 1.0500(13) 1.2276(11) 0.2579(5) 0.062(4) Uani 1 1 d .
H25 H 0.9772 1.2070 0.2554 0.075 Uiso 1 1 calc R
C26 C 1.0947(16) 1.2464(13) 0.2179(5) 0.082(6) Uani 1 1 d .
C27 C 1.0399(16) 1.2303(12) 0.1746(5) 0.076(4) Uani 1 1 d U
C28 C 1.117(2) 1.2524(17) 0.1471(8) 0.114(7) Uani 1 1 d U
H28 H 1.1023 1.2453 0.1167 0.137 Uiso 1 1 calc R
C29 C 1.208(2) 1.2826(15) 0.1665(7) 0.098(6) Uani 1 1 d U
H29 H 1.2643 1.3017 0.1513 0.118 Uiso 1 1 calc R
C30 C 0.937(2) 1.1904(19) 0.1623(9) 0.131(9) Uani 1 1 d U
H30A H 0.8853 1.2166 0.1793 0.196 Uiso 1 1 calc R
H30B H 0.9425 1.1253 0.1674 0.196 Uiso 1 1 calc R
H30C H 0.9124 1.2018 0.1318 0.196 Uiso 1 1 calc R
C31 C 0.7583(10) 1.0464(10) 0.3204(4) 0.053(3) Uani 1 1 d .
H31 H 0.6883 1.0685 0.3234 0.063 Uiso 1 1 calc R
C32 C 0.7890(11) 1.0487(11) 0.2803(4) 0.060(4) Uani 1 1 d .
H32 H 0.7383 1.0666 0.2562 0.072 Uiso 1 1 calc R
C33 C 0.8927(12) 1.0251(11) 0.2749(4) 0.057(4) Uani 1 1 d .
H33 H 0.9164 1.0318 0.2478 0.069 Uiso 1 1 calc R
C34 C 0.9627(11) 0.9911(10) 0.3105(4) 0.049(3) Uani 1 1 d .
C35 C 1.0735(11) 0.9657(10) 0.3085(4) 0.055(3) Uani 1 1 d .
C36 C 1.1360(11) 0.9367(11) 0.3452(4) 0.056(3) Uani 1 1 d .
H36 H 1.2097 0.9218 0.3442 0.067 Uiso 1 1 calc R
C37 C 1.0953(10) 0.9279(10) 0.3852(4) 0.050(3) Uani 1 1 d .
H37 H 1.1408 0.9049 0.4098 0.061 Uiso 1 1 calc R
C38 C 0.9913(10) 0.9526(9) 0.3878(4) 0.046(3) Uani 1 1 d .
C39 C 0.9240(10) 0.9860(9) 0.3503(4) 0.046(3) Uani 1 1 d .
C40 C 1.1884(19) 0.9352(17) 0.2596(7) 0.101(6) Uani 1 1 d U
H40 H 1.2213 0.8934 0.2804 0.122 Uiso 1 1 calc R
C41 C 1.2372(15) 0.9442(14) 0.2210(5) 0.100(6) Uani 1 1 d DU
C42 C 1.322(2) 0.906(2) 0.2063(8) 0.150(12) Uani 1 1 d D
C43 C 1.340(2) 0.9491(18) 0.1645(10) 0.144(10) Uani 1 1 d DU
H43 H 1.3958 0.9296 0.1493 0.173 Uiso 1 1 calc R
C44 C 1.2729(16) 1.0164(16) 0.1500(7) 0.114(7) Uani 1 1 d DU
H44 H 1.2800 1.0569 0.1272 0.137 Uiso 1 1 calc R
C45 C 1.384(3) 0.826(2) 0.2265(10) 0.154(11) Uani 1 1 d DU
H45A H 1.3512 0.8048 0.2510 0.231 Uiso 1 1 d R
H45B H 1.4601 0.8421 0.2363 0.231 Uiso 1 1 d R
H45C H 1.3813 0.7771 0.2052 0.231 Uiso 1 1 d R
C46 C 0.5448(13) 1.2496(11) 0.3803(5) 0.064(4) Uani 1 1 d .
H46A H 0.6007 1.2849 0.3690 0.095 Uiso 1 1 calc R
H46B H 0.4976 1.2902 0.3936 0.095 Uiso 1 1 calc R
H46C H 0.5015 1.2165 0.3567 0.095 Uiso 1 1 calc R
C47 C 0.5970(11) 1.1850(9) 0.4127(4) 0.053(3) Uani 1 1 d .
C48 C 0.5632(11) 1.1777(10) 0.4539(5) 0.056(3) Uani 1 1 d .
H48 H 0.5108 1.2196 0.4607 0.067 Uiso 1 1 calc R
C49 C 0.6016(10) 1.1137(10) 0.4846(4) 0.048(3) Uani 1 1 d .
C50 C 0.5508(12) 1.1113(12) 0.5251(5) 0.064(4) Uani 1 1 d .
H50A H 0.5152 1.0529 0.5273 0.096 Uiso 1 1 calc R
H50B H 0.4971 1.1597 0.5243 0.096 Uiso 1 1 calc R
H50C H 0.6073 1.1196 0.5501 0.096 Uiso 1 1 calc R
C51 C 0.912(2) 0.5677(18) 0.4664(13) 0.186(18) Uani 1 1 d .
H51A H 0.9023 0.5455 0.4949 0.279 Uiso 1 1 calc R
H51B H 0.9532 0.5232 0.4524 0.279 Uiso 1 1 calc R
H51C H 0.8409 0.5771 0.4489 0.279 Uiso 1 1 calc R
C52 C 0.9754(18) 0.6587(16) 0.4712(10) 0.121(9) Uani 1 1 d .
C53 C 1.076(2) 0.6561(16) 0.4536(7) 0.101(7) Uani 1 1 d .
H53 H 1.0963 0.6033 0.4397 0.121 Uiso 1 1 calc R
C54 C 1.1411(15) 0.7297(13) 0.4573(8) 0.095(7) Uani 1 1 d .
C55 C 1.2489(14) 0.7183(16) 0.4412(8) 0.108(8) Uani 1 1 d .
H55A H 1.2649 0.7728 0.4257 0.163 Uiso 1 1 calc R
H55B H 1.2450 0.6663 0.4219 0.163 Uiso 1 1 calc R
H55C H 1.3064 0.7085 0.4657 0.163 Uiso 1 1 calc R
N7 N 0.3734(19) 0.9358(15) 0.0347(7) 0.123(7) Uani 1 1 d U
C56 C 0.298(2) 0.8970(16) 0.0456(8) 0.102(6) Uani 1 1 d U
C57 C 0.2084(18) 0.8505(15) 0.0575(8) 0.101(6) Uani 1 1 d U
H57A H 0.2036 0.8631 0.0877 0.152 Uiso 1 1 calc R
H57B H 0.2177 0.7855 0.0536 0.152 Uiso 1 1 calc R
H57C H 0.1417 0.8706 0.0394 0.152 Uiso 1 1 calc R
N8 N 0.435(3) 0.111(3) 0.2887(13) 0.208(15) Uani 1 1 d U
C58 C 0.462(4) 0.150(3) 0.2137(14) 0.210(18) Uani 1 1 d U
H58A H 0.4363 0.2126 0.2128 0.315 Uiso 1 1 d R
H58B H 0.4205 0.1161 0.1898 0.315 Uiso 1 1 d R
H58C H 0.5390 0.1485 0.2112 0.315 Uiso 1 1 d R
C59 C 0.441(2) 0.1085(16) 0.2577(8) 0.098(6) Uani 1 1 d U
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'
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'
S S 0.1246 0.1234 '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'
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
O4 Dy1 O8 130.7(3) . .
O4 Dy1 O5 74.8(3) . .
O8 Dy1 O5 73.8(3) . .
O4 Dy1 O3 143.1(3) . .
O8 Dy1 O3 72.2(3) . .
O5 Dy1 O3 141.3(3) . .
O4 Dy1 O1 140.4(3) . .
O8 Dy1 O1 70.9(3) . .
O5 Dy1 O1 83.6(3) . .
O3 Dy1 O1 68.3(3) . .
O4 Dy1 O2 82.7(3) . .
O8 Dy1 O2 70.3(3) . .
O5 Dy1 O2 105.4(3) . .
O3 Dy1 O2 79.9(3) . .
O1 Dy1 O2 135.6(3) . .
O4 Dy1 N5 79.8(3) . .
O8 Dy1 N5 135.5(3) . .
O5 Dy1 N5 150.4(3) . .
O3 Dy1 N5 66.8(3) . .
O1 Dy1 N5 107.7(3) . .
O2 Dy1 N5 85.9(3) . .
O4 Dy1 N1 78.3(4) . .
O8 Dy1 N1 131.9(3) . .
O5 Dy1 N1 81.4(3) . .
O3 Dy1 N1 108.5(3) . .
O1 Dy1 N1 65.8(3) . .
O2 Dy1 N1 157.5(3) . .
N5 Dy1 N1 78.8(3) . .
O4 Dy1 Dy2 171.1(2) . .
O8 Dy1 Dy2 40.4(2) . .
O5 Dy1 Dy2 98.9(2) . .
O3 Dy1 Dy2 42.53(18) . .
O1 Dy1 Dy2 42.6(2) . .
O2 Dy1 Dy2 93.1(2) . .
N5 Dy1 Dy2 107.9(2) . .
N1 Dy1 Dy2 107.3(3) . .
O4 Dy1 Dy2 111.3(2) . 3_776
O8 Dy1 Dy2 34.29(19) . 3_776
O5 Dy1 Dy2 91.4(2) . 3_776
O3 Dy1 Dy2 70.2(2) . 3_776
O1 Dy1 Dy2 101.8(2) . 3_776
O2 Dy1 Dy2 36.2(2) . 3_776
N5 Dy1 Dy2 112.0(2) . 3_776
N1 Dy1 Dy2 166.2(2) . 3_776
Dy2 Dy1 Dy2 62.00(2) . 3_776
O6 Dy2 O7 71.0(4) . .
O6 Dy2 O8 143.1(4) . 3_776
O7 Dy2 O8 76.5(3) . 3_776
O6 Dy2 O8 146.1(3) . .
O7 Dy2 O8 140.7(3) . .
O8 Dy2 O8 70.3(3) 3_776 .
O6 Dy2 O2 88.4(4) . 3_776
O7 Dy2 O2 82.8(3) . 3_776
O8 Dy2 O2 70.5(3) 3_776 3_776
O8 Dy2 O2 104.7(3) . 3_776
O6 Dy2 O3 114.4(5) . .
O7 Dy2 O3 82.3(3) . .
O8 Dy2 O3 77.1(3) 3_776 .
O8 Dy2 O3 70.4(3) . .
O2 Dy2 O3 146.7(3) 3_776 .
O6 Dy2 O1 81.8(4) . .
O7 Dy2 O1 124.7(3) . .
O8 Dy2 O1 132.3(3) 3_776 .
O8 Dy2 O1 69.4(3) . .
O2 Dy2 O1 144.7(3) 3_776 .
O3 Dy2 O1 66.3(3) . .
O6 Dy2 N3 82.1(5) . 3_776
O7 Dy2 N3 139.4(3) . 3_776
O8 Dy2 N3 113.9(3) 3_776 3_776
O8 Dy2 N3 75.2(3) . 3_776
O2 Dy2 N3 66.2(3) 3_776 3_776
O3 Dy2 N3 137.5(3) . 3_776
O1 Dy2 N3 78.8(3) . 3_776
O6 Dy2 Dy1 121.2(4) . .
O7 Dy2 Dy1 123.2(2) . .
O8 Dy2 Dy1 91.0(2) 3_776 .
O8 Dy2 Dy1 39.80(18) . .
O2 Dy2 Dy1 144.4(2) 3_776 .
O3 Dy2 Dy1 41.01(18) . .
O1 Dy2 Dy1 41.4(2) . .
N3 Dy2 Dy1 96.6(2) 3_776 .
O6 Dy2 Dy2 175.5(4) . 3_776
O7 Dy2 Dy2 109.5(3) . 3_776
O8 Dy2 Dy2 35.3(2) 3_776 3_776
O8 Dy2 Dy2 34.96(18) . 3_776
O2 Dy2 Dy2 87.3(2) 3_776 3_776
O3 Dy2 Dy2 70.0(2) . 3_776
O1 Dy2 Dy2 101.2(2) . 3_776
N3 Dy2 Dy2 95.1(3) 3_776 3_776
Dy1 Dy2 Dy2 62.498(19) . 3_776
O6 Dy2 Dy1 120.7(4) . 3_776
O7 Dy2 Dy1 79.8(2) . 3_776
O8 Dy2 Dy1 34.14(19) 3_776 3_776
O8 Dy2 Dy1 84.15(19) . 3_776
O2 Dy2 Dy1 36.6(2) 3_776 3_776
O3 Dy2 Dy1 111.1(2) . 3_776
O1 Dy2 Dy1 152.9(2) . 3_776
N3 Dy2 Dy1 89.0(2) 3_776 3_776
Dy1 Dy2 Dy1 118.00(2) . 3_776
Dy2 Dy2 Dy1 55.504(16) 3_776 3_776
C14 S1 C11 92.7(13) . .
C26 S2 C29 88.0(10) . .
C41 S3 C44 95.4(10) . .
C8 O1 Dy1 120.4(9) . .
C8 O1 Dy2 139.8(9) . .
Dy1 O1 Dy2 96.0(3) . .
C23 O2 Dy2 119.5(7) . 3_776
C23 O2 Dy1 121.1(7) . .
Dy2 O2 Dy1 107.2(3) 3_776 .
C38 O3 Dy1 120.5(7) . .
C38 O3 Dy2 143.1(8) . .
Dy1 O3 Dy2 96.5(2) . .
C47 O4 Dy1 135.7(8) . .
C49 O5 Dy1 134.3(8) . .
C52 O6 Dy2 132.7(15) . .
C54 O7 Dy2 141.7(12) . .
Dy1 O8 Dy2 111.6(3) . 3_776
Dy1 O8 Dy2 99.8(3) . .
Dy2 O8 Dy2 109.7(3) 3_776 .
Dy1 O8 H8 111.7 . .
Dy2 O8 H8 111.7 3_776 .
Dy2 O8 H8 111.7 . .
C9 N1 C1 118.5(12) . .
C9 N1 Dy1 115.7(8) . .
C1 N1 Dy1 125.9(10) . .
C10 N2 C5 120.7(12) . .
C16 N3 C24 116.8(10) . .
C16 N3 Dy2 127.6(8) . 3_776
C24 N3 Dy2 115.5(7) . 3_776
C25 N4 C20 119.3(13) . .
C31 N5 C39 117.7(10) . .
C31 N5 Dy1 127.1(8) . .
C39 N5 Dy1 114.5(7) . .
C40 N6 C35 120.6(16) . .
N1 C1 C2 123.1(15) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C3 C2 C1 120.0(13) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C2 C3 C4 118.1(14) . .
C2 C3 H3 120.9 . .
C4 C3 H3 120.9 . .
C5 C4 C3 122.2(13) . .
C5 C4 C9 120.3(12) . .
C3 C4 C9 117.5(13) . .
C6 C5 C4 118.2(13) . .
C6 C5 N2 123.8(14) . .
C4 C5 N2 117.9(13) . .
C5 C6 C7 122.1(15) . .
C5 C6 H6 119.0 . .
C7 C6 H6 119.0 . .
C6 C7 C8 121.5(14) . .
C6 C7 H7 119.2 . .
C8 C7 H7 119.2 . .
O1 C8 C9 121.7(14) . .
O1 C8 C7 121.6(13) . .
C9 C8 C7 116.7(12) . .
N1 C9 C8 116.3(13) . .
N1 C9 C4 122.6(12) . .
C8 C9 C4 121.1(13) . .
N2 C10 C11 122.7(13) . .
N2 C10 H10 118.7 . .
C11 C10 H10 118.7 . .
C12 C11 C10 129.6(15) . .
C12 C11 S1 111.0(12) . .
C10 C11 S1 119.3(12) . .
C11 C12 C13 109.8(18) . .
C11 C12 C15 123.5(16) . .
C13 C12 C15 126.4(19) . .
C14 C13 C12 116(3) . .
C14 C13 H13 122.0 . .
C12 C13 H13 122.0 . .
C13 C14 S1 110(2) . .
C13 C14 H14 125.0 . .
S1 C14 H14 125.0 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N3 C16 C17 123.4(12) . .
N3 C16 H16 118.3 . .
C17 C16 H16 118.3 . .
C16 C17 C18 121.7(12) . .
C16 C17 H17 119.1 . .
C18 C17 H17 119.1 . .
C17 C18 C19 116.1(11) . .
C17 C18 H18 122.0 . .
C19 C18 H18 122.0 . .
C24 C19 C18 118.8(12) . .
C24 C19 C20 119.8(11) . .
C18 C19 C20 121.3(11) . .
N4 C20 C21 126.0(12) . .
N4 C20 C19 117.4(11) . .
C21 C20 C19 116.5(11) . .
C20 C21 C22 123.6(12) . .
C20 C21 H21 118.2 . .
C22 C21 H21 118.2 . .
C23 C22 C21 121.3(12) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
O2 C23 C22 124.1(10) . .
O2 C23 C24 118.7(10) . .
C22 C23 C24 117.1(10) . .
N3 C24 C19 123.0(11) . .
N3 C24 C23 115.8(10) . .
C19 C24 C23 121.2(11) . .
N4 C25 C26 124.1(16) . .
N4 C25 H25 117.9 . .
C26 C25 H25 117.9 . .
C27 C26 C25 125.9(18) . .
C27 C26 S2 115.4(12) . .
C25 C26 S2 118.7(14) . .
C30 C27 C28 127(2) . .
C30 C27 C26 127.2(18) . .
C28 C27 C26 105.6(19) . .
C29 C28 C27 115(2) . .
C29 C28 H28 122.6 . .
C27 C28 H28 122.6 . .
C28 C29 S2 116.2(18) . .
C28 C29 H29 121.9 . .
S2 C29 H29 121.9 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N5 C31 C32 123.4(12) . .
N5 C31 H31 118.3 . .
C32 C31 H31 118.3 . .
C33 C32 C31 120.4(13) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C32 C33 C34 118.4(12) . .
C32 C33 H33 120.8 . .
C34 C33 H33 120.8 . .
C33 C34 C39 118.1(12) . .
C33 C34 C35 122.8(11) . .
C39 C34 C35 118.9(12) . .
C36 C35 N6 126.0(13) . .
C36 C35 C34 118.3(11) . .
N6 C35 C34 115.7(12) . .
C35 C36 C37 122.8(12) . .
C35 C36 H36 118.6 . .
C37 C36 H36 118.6 . .
C38 C37 C36 119.7(12) . .
C38 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
O3 C38 C37 123.2(11) . .
O3 C38 C39 117.5(11) . .
C37 C38 C39 119.2(11) . .
N5 C39 C34 121.7(12) . .
N5 C39 C38 117.2(10) . .
C34 C39 C38 121.0(11) . .
N6 C40 C41 127(2) . .
N6 C40 H40 116.6 . .
C41 C40 H40 116.6 . .
C42 C41 C40 134.8(17) . .
C42 C41 S3 109.6(16) . .
C40 C41 S3 115.4(14) . .
C41 C42 C45 125(2) . .
C41 C42 C43 110(2) . .
C45 C42 C43 124.5(19) . .
C44 C43 C42 117(2) . .
C44 C43 H43 121.7 . .
C42 C43 H43 121.7 . .
C43 C44 S3 105.4(19) . .
C43 C44 H44 127.3 . .
S3 C44 H44 127.3 . .
C42 C45 H45A 109.1 . .
C42 C45 H45B 110.5 . .
H45A C45 H45B 109.5 . .
C42 C45 H45C 108.9 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C47 C46 H46A 109.5 . .
C47 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C47 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
O4 C47 C48 123.6(13) . .
O4 C47 C46 115.2(13) . .
C48 C47 C46 121.2(13) . .
C49 C48 C47 124.6(12) . .
C49 C48 H48 117.7 . .
C47 C48 H48 117.7 . .
O5 C49 C48 126.2(11) . .
O5 C49 C50 116.2(13) . .
C48 C49 C50 117.5(12) . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C52 C51 H51A 109.5 . .
C52 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C52 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
O6 C52 C53 127(2) . .
O6 C52 C51 119(2) . .
C53 C52 C51 113(2) . .
C54 C53 C52 119(2) . .
C54 C53 H53 120.4 . .
C52 C53 H53 120.4 . .
O7 C54 C53 123(2) . .
O7 C54 C55 120.7(18) . .
C53 C54 C55 115.6(18) . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
N7 C56 C57 179(3) . .
C56 C57 H57A 109.5 . .
C56 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C56 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C59 C58 H58A 107.5 . .
C59 C58 H58B 109.9 . .
H58A C58 H58B 109.5 . .
C59 C58 H58C 111.0 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
N8 C59 C58 154(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.303(9) .
Dy1 O8 2.319(7) .
Dy1 O5 2.325(7) .
Dy1 O3 2.358(8) .
Dy1 O1 2.373(9) .
Dy1 O2 2.397(9) .
Dy1 N5 2.512(10) .
Dy1 N1 2.538(11) .
Dy1 Dy2 3.5713(9) .
Dy1 Dy2 3.8436(8) 3_776
Dy2 O6 2.266(12) .
Dy2 O7 2.320(9) .
Dy2 O8 2.329(8) 3_776
Dy2 O8 2.351(8) .
Dy2 O2 2.377(8) 3_776
Dy2 O3 2.429(8) .
Dy2 O1 2.431(9) .
Dy2 N3 2.532(9) 3_776
Dy2 Dy2 3.8260(13) 3_776
Dy2 Dy1 3.8435(8) 3_776
S1 C14 1.69(3) .
S1 C11 1.734(17) .
S2 C26 1.69(2) .
S2 C29 1.72(2) .
S3 C41 1.729(10) .
S3 C44 1.759(10) .
O1 C8 1.302(15) .
O2 C23 1.338(13) .
O2 Dy2 2.377(8) 3_776
O3 C38 1.343(13) .
O4 C47 1.284(16) .
O5 C49 1.260(15) .
O6 C52 1.28(3) .
O7 C54 1.20(2) .
O8 Dy2 2.329(8) 3_776
O8 H8 1.0000 .
N1 C9 1.343(18) .
N1 C1 1.346(17) .
N2 C10 1.270(18) .
N2 C5 1.418(18) .
N3 C16 1.357(17) .
N3 C24 1.375(16) .
N3 Dy2 2.532(9) 3_776
N4 C25 1.248(19) .
N4 C20 1.373(16) .
N5 C31 1.325(16) .
N5 C39 1.382(16) .
N6 C40 1.24(2) .
N6 C35 1.407(16) .
C1 C2 1.40(2) .
C1 H1 0.9500 .
C2 C3 1.38(2) .
C2 H2 0.9500 .
C3 C4 1.44(2) .
C3 H3 0.9500 .
C4 C5 1.38(2) .
C4 C9 1.44(2) .
C5 C6 1.37(2) .
C6 C7 1.39(2) .
C6 H6 0.9500 .
C7 C8 1.41(2) .
C7 H7 0.9500 .
C8 C9 1.389(18) .
C10 C11 1.40(2) .
C10 H10 0.9500 .
C11 C12 1.40(2) .
C12 C13 1.40(3) .
C12 C15 1.46(2) .
C13 C14 1.37(4) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.361(18) .
C16 H16 0.9500 .
C17 C18 1.410(19) .
C17 H17 0.9500 .
C18 C19 1.428(18) .
C18 H18 0.9500 .
C19 C24 1.410(15) .
C19 C20 1.440(18) .
C20 C21 1.384(18) .
C21 C22 1.390(17) .
C21 H21 0.9500 .
C22 C23 1.380(17) .
C22 H22 0.9500 .
C23 C24 1.435(16) .
C25 C26 1.480(19) .
C25 H25 0.9500 .
C26 C27 1.45(3) .
C27 C30 1.41(3) .
C27 C28 1.43(3) .
C28 C29 1.29(3) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.375(17) .
C31 H31 0.9500 .
C32 C33 1.37(2) .
C32 H32 0.9500 .
C33 C34 1.404(19) .
C33 H33 0.9500 .
C34 C39 1.413(16) .
C34 C35 1.443(19) .
C35 C36 1.36(2) .
C36 C37 1.436(16) .
C36 H36 0.9500 .
C37 C38 1.363(17) .
C37 H37 0.9500 .
C38 C39 1.429(18) .
C40 C41 1.45(3) .
C40 H40 0.9500 .
C41 C42 1.341(10) .
C42 C45 1.507(10) .
C42 C43 1.51(3) .
C43 C44 1.333(10) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C47 1.48(2) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C48 1.43(2) .
C48 C49 1.39(2) .
C48 H48 0.9500 .
C49 C50 1.510(17) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C52 1.56(3) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 C53 1.45(3) .
C53 C54 1.35(3) .
C53 H53 0.9500 .
C54 C55 1.52(3) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
N7 C56 1.20(3) .
C56 C57 1.41(3) .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
N8 C59 0.99(4) .
C58 C59 1.57(4) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O4 Dy1 Dy2 O6 134.5(14) . .
O8 Dy1 Dy2 O6 142.1(5) . .
O5 Dy1 Dy2 O6 90.3(5) . .
O3 Dy1 Dy2 O6 -92.2(5) . .
O1 Dy1 Dy2 O6 20.0(5) . .
O2 Dy1 Dy2 O6 -163.6(5) . .
N5 Dy1 Dy2 O6 -76.9(5) . .
N1 Dy1 Dy2 O6 6.6(5) . .
Dy2 Dy1 Dy2 O6 177.1(4) 3_776 .
O4 Dy1 Dy2 O7 -138.9(14) . .
O8 Dy1 Dy2 O7 -131.3(4) . .
O5 Dy1 Dy2 O7 177.0(4) . .
O3 Dy1 Dy2 O7 -5.6(4) . .
O1 Dy1 Dy2 O7 106.6(4) . .
O2 Dy1 Dy2 O7 -77.0(4) . .
N5 Dy1 Dy2 O7 9.7(4) . .
N1 Dy1 Dy2 O7 93.2(4) . .
Dy2 Dy1 Dy2 O7 -96.2(3) 3_776 .
O4 Dy1 Dy2 O8 -64.4(13) . 3_776
O8 Dy1 Dy2 O8 -56.8(4) . 3_776
O5 Dy1 Dy2 O8 -108.6(3) . 3_776
O3 Dy1 Dy2 O8 68.8(4) . 3_776
O1 Dy1 Dy2 O8 -178.9(3) . 3_776
O2 Dy1 Dy2 O8 -2.5(3) . 3_776
N5 Dy1 Dy2 O8 84.1(3) . 3_776
N1 Dy1 Dy2 O8 167.7(3) . 3_776
Dy2 Dy1 Dy2 O8 -21.79(17) 3_776 3_776
O4 Dy1 Dy2 O8 -7.6(14) . .
O5 Dy1 Dy2 O8 -51.7(4) . .
O3 Dy1 Dy2 O8 125.7(4) . .
O1 Dy1 Dy2 O8 -122.1(4) . .
O2 Dy1 Dy2 O8 54.3(3) . .
N5 Dy1 Dy2 O8 141.0(4) . .
N1 Dy1 Dy2 O8 -135.5(4) . .
Dy2 Dy1 Dy2 O8 35.1(3) 3_776 .
O4 Dy1 Dy2 O2 -7.8(14) . 3_776
O8 Dy1 Dy2 O2 -0.2(4) . 3_776
O5 Dy1 Dy2 O2 -51.9(4) . 3_776
O3 Dy1 Dy2 O2 125.5(4) . 3_776
O1 Dy1 Dy2 O2 -122.3(4) . 3_776
O2 Dy1 Dy2 O2 54.2(5) . 3_776
N5 Dy1 Dy2 O2 140.8(4) . 3_776
N1 Dy1 Dy2 O2 -135.6(4) . 3_776
Dy2 Dy1 Dy2 O2 34.9(3) 3_776 3_776
O4 Dy1 Dy2 O3 -133.3(14) . .
O8 Dy1 Dy2 O3 -125.7(4) . .
O5 Dy1 Dy2 O3 -177.4(4) . .
O1 Dy1 Dy2 O3 112.2(4) . .
O2 Dy1 Dy2 O3 -71.3(4) . .
N5 Dy1 Dy2 O3 15.3(4) . .
N1 Dy1 Dy2 O3 98.9(4) . .
Dy2 Dy1 Dy2 O3 -90.6(3) 3_776 .
O4 Dy1 Dy2 O1 114.5(14) . .
O8 Dy1 Dy2 O1 122.1(4) . .
O5 Dy1 Dy2 O1 70.3(4) . .
O3 Dy1 Dy2 O1 -112.2(4) . .
O2 Dy1 Dy2 O1 176.4(3) . .
N5 Dy1 Dy2 O1 -96.9(4) . .
N1 Dy1 Dy2 O1 -13.4(4) . .
Dy2 Dy1 Dy2 O1 157.1(3) 3_776 .
O4 Dy1 Dy2 N3 49.7(14) . 3_776
O8 Dy1 Dy2 N3 57.3(4) . 3_776
O5 Dy1 Dy2 N3 5.6(3) . 3_776
O3 Dy1 Dy2 N3 -177.0(4) . 3_776
O1 Dy1 Dy2 N3 -64.8(4) . 3_776
O2 Dy1 Dy2 N3 111.7(3) . 3_776
N5 Dy1 Dy2 N3 -161.7(4) . 3_776
N1 Dy1 Dy2 N3 -78.1(3) . 3_776
Dy2 Dy1 Dy2 N3 92.4(3) 3_776 3_776
O4 Dy1 Dy2 Dy2 -42.6(13) . 3_776
O8 Dy1 Dy2 Dy2 -35.1(3) . 3_776
O5 Dy1 Dy2 Dy2 -86.8(2) . 3_776
O3 Dy1 Dy2 Dy2 90.6(3) . 3_776
O1 Dy1 Dy2 Dy2 -157.1(3) . 3_776
O2 Dy1 Dy2 Dy2 19.3(2) . 3_776
N5 Dy1 Dy2 Dy2 105.9(3) . 3_776
N1 Dy1 Dy2 Dy2 -170.5(2) . 3_776
O4 Dy1 Dy2 Dy1 -42.6(13) . 3_776
O8 Dy1 Dy2 Dy1 -35.1(3) . 3_776
O5 Dy1 Dy2 Dy1 -86.8(2) . 3_776
O3 Dy1 Dy2 Dy1 90.6(3) . 3_776
O1 Dy1 Dy2 Dy1 -157.1(3) . 3_776
O2 Dy1 Dy2 Dy1 19.3(2) . 3_776
N5 Dy1 Dy2 Dy1 105.9(3) . 3_776
N1 Dy1 Dy2 Dy1 -170.5(2) . 3_776
Dy2 Dy1 Dy2 Dy1 0.0 3_776 3_776
O4 Dy1 O1 C8 30.5(10) . .
O8 Dy1 O1 C8 162.1(8) . .
O5 Dy1 O1 C8 87.1(8) . .
O3 Dy1 O1 C8 -120.0(8) . .
O2 Dy1 O1 C8 -167.4(7) . .
N5 Dy1 O1 C8 -64.8(8) . .
N1 Dy1 O1 C8 3.7(7) . .
Dy2 Dy1 O1 C8 -162.3(9) . .
Dy2 Dy1 O1 C8 177.2(7) 3_776 .
O4 Dy1 O1 Dy2 -167.2(3) . .
O8 Dy1 O1 Dy2 -35.6(2) . .
O5 Dy1 O1 Dy2 -110.6(3) . .
O3 Dy1 O1 Dy2 42.3(3) . .
O2 Dy1 O1 Dy2 -5.1(5) . .
N5 Dy1 O1 Dy2 97.5(3) . .
N1 Dy1 O1 Dy2 166.0(4) . .
Dy2 Dy1 O1 Dy2 -20.5(2) 3_776 .
O6 Dy2 O1 C8 -6.8(11) . .
O7 Dy2 O1 C8 53.2(11) . .
O8 Dy2 O1 C8 157.5(10) 3_776 .
O8 Dy2 O1 C8 -168.6(11) . .
O2 Dy2 O1 C8 -82.2(12) 3_776 .
O3 Dy2 O1 C8 114.4(11) . .
N3 Dy2 O1 C8 -90.3(11) 3_776 .
Dy1 Dy2 O1 C8 156.0(12) . .
Dy2 Dy2 O1 C8 176.6(10) 3_776 .
Dy1 Dy2 O1 C8 -155.2(8) 3_776 .
O6 Dy2 O1 Dy1 -162.8(5) . .
O7 Dy2 O1 Dy1 -102.8(4) . .
O8 Dy2 O1 Dy1 1.5(4) 3_776 .
O8 Dy2 O1 Dy1 35.4(2) . .
O2 Dy2 O1 Dy1 121.8(5) 3_776 .
O3 Dy2 O1 Dy1 -41.6(3) . .
N3 Dy2 O1 Dy1 113.7(4) 3_776 .
Dy2 Dy2 O1 Dy1 20.6(2) 3_776 .
Dy1 Dy2 O1 Dy1 48.8(5) 3_776 .
O4 Dy1 O2 C23 -75.4(8) . .
O8 Dy1 O2 C23 146.6(9) . .
O5 Dy1 O2 C23 -147.4(8) . .
O3 Dy1 O2 C23 72.0(8) . .
O1 Dy1 O2 C23 116.0(8) . .
N5 Dy1 O2 C23 4.8(9) . .
N1 Dy1 O2 C23 -42.3(13) . .
Dy2 Dy1 O2 C23 112.6(8) . .
Dy2 Dy1 O2 C23 142.1(10) 3_776 .
O4 Dy1 O2 Dy2 142.5(4) . 3_776
O8 Dy1 O2 Dy2 4.5(3) . 3_776
O5 Dy1 O2 Dy2 70.5(4) . 3_776
O3 Dy1 O2 Dy2 -70.2(3) . 3_776
O1 Dy1 O2 Dy2 -26.1(5) . 3_776
N5 Dy1 O2 Dy2 -137.3(4) . 3_776
N1 Dy1 O2 Dy2 175.5(7) . 3_776
Dy2 Dy1 O2 Dy2 -29.6(3) . 3_776
O4 Dy1 O3 C38 -9.9(11) . .
O8 Dy1 O3 C38 -145.4(9) . .
O5 Dy1 O3 C38 -174.9(8) . .
O1 Dy1 O3 C38 138.6(9) . .
O2 Dy1 O3 C38 -73.0(9) . .
N5 Dy1 O3 C38 16.9(8) . .
N1 Dy1 O3 C38 85.4(9) . .
Dy2 Dy1 O3 C38 -179.0(10) . .
Dy2 Dy1 O3 C38 -109.2(9) 3_776 .
O4 Dy1 O3 Dy2 169.1(4) . .
O8 Dy1 O3 Dy2 33.6(3) . .
O5 Dy1 O3 Dy2 4.1(6) . .
O1 Dy1 O3 Dy2 -42.4(3) . .
O2 Dy1 O3 Dy2 106.0(3) . .
N5 Dy1 O3 Dy2 -164.1(4) . .
N1 Dy1 O3 Dy2 -95.6(3) . .
Dy2 Dy1 O3 Dy2 69.8(2) 3_776 .
O6 Dy2 O3 C38 -71.2(13) . .
O7 Dy2 O3 C38 -6.2(13) . .
O8 Dy2 O3 C38 71.7(13) 3_776 .
O8 Dy2 O3 C38 145.1(13) . .
O2 Dy2 O3 C38 58.1(15) 3_776 .
O1 Dy2 O3 C38 -139.5(14) . .
N3 Dy2 O3 C38 -177.0(12) 3_776 .
Dy1 Dy2 O3 C38 178.6(15) . .
Dy2 Dy2 O3 C38 107.9(13) 3_776 .
Dy1 Dy2 O3 C38 69.8(13) 3_776 .
O6 Dy2 O3 Dy1 110.2(4) . .
O7 Dy2 O3 Dy1 175.3(4) . .
O8 Dy2 O3 Dy1 -106.9(3) 3_776 .
O8 Dy2 O3 Dy1 -33.5(3) . .
O2 Dy2 O3 Dy1 -120.5(5) 3_776 .
O1 Dy2 O3 Dy1 41.9(3) . .
N3 Dy2 O3 Dy1 4.4(6) 3_776 .
Dy2 Dy2 O3 Dy1 -70.7(2) 3_776 .
Dy1 Dy2 O3 Dy1 -108.8(2) 3_776 .
O8 Dy1 O4 C47 -44.8(13) . .
O5 Dy1 O4 C47 7.2(12) . .
O3 Dy1 O4 C47 -163.2(10) . .
O1 Dy1 O4 C47 66.5(13) . .
O2 Dy1 O4 C47 -101.0(12) . .
N5 Dy1 O4 C47 171.9(12) . .
N1 Dy1 O4 C47 91.3(12) . .
Dy2 Dy1 O4 C47 -38(2) . .
Dy2 Dy1 O4 C47 -78.3(12) 3_776 .
O4 Dy1 O5 C49 -9.7(11) . .
O8 Dy1 O5 C49 131.8(12) . .
O3 Dy1 O5 C49 161.1(10) . .
O1 Dy1 O5 C49 -156.2(11) . .
O2 Dy1 O5 C49 68.2(11) . .
N5 Dy1 O5 C49 -41.3(15) . .
N1 Dy1 O5 C49 -89.9(11) . .
Dy2 Dy1 O5 C49 163.9(11) . .
Dy2 Dy1 O5 C49 102.0(11) 3_776 .
O7 Dy2 O6 C52 -22.2(19) . .
O8 Dy2 O6 C52 -52(2) 3_776 .
O8 Dy2 O6 C52 140.6(17) . .
O2 Dy2 O6 C52 -105(2) 3_776 .
O3 Dy2 O6 C52 50(2) . .
O1 Dy2 O6 C52 109(2) . .
N3 Dy2 O6 C52 -171(2) 3_776 .
Dy1 Dy2 O6 C52 95.7(19) . .
Dy2 Dy2 O6 C52 -119(4) 3_776 .
Dy1 Dy2 O6 C52 -87(2) 3_776 .
O6 Dy2 O7 C54 6(2) . .
O8 Dy2 O7 C54 168(2) 3_776 .
O8 Dy2 O7 C54 -159(2) . .
O2 Dy2 O7 C54 97(2) 3_776 .
O3 Dy2 O7 C54 -113(2) . .
O1 Dy2 O7 C54 -59(2) . .
N3 Dy2 O7 C54 57(2) 3_776 .
Dy1 Dy2 O7 C54 -110(2) . .
Dy2 Dy2 O7 C54 -179(2) 3_776 .
Dy1 Dy2 O7 C54 134(2) 3_776 .
O4 Dy1 O8 Dy2 -65.7(4) . 3_776
O5 Dy1 O8 Dy2 -118.1(4) . 3_776
O3 Dy1 O8 Dy2 80.6(3) . 3_776
O1 Dy1 O8 Dy2 153.2(4) . 3_776
O2 Dy1 O8 Dy2 -4.7(3) . 3_776
N5 Dy1 O8 Dy2 57.1(6) . 3_776
N1 Dy1 O8 Dy2 179.9(3) . 3_776
Dy2 Dy1 O8 Dy2 115.8(4) . 3_776
O4 Dy1 O8 Dy2 178.5(3) . .
O5 Dy1 O8 Dy2 126.1(3) . .
O3 Dy1 O8 Dy2 -35.2(3) . .
O1 Dy1 O8 Dy2 37.4(3) . .
O2 Dy1 O8 Dy2 -120.5(3) . .
N5 Dy1 O8 Dy2 -58.8(5) . .
N1 Dy1 O8 Dy2 64.1(5) . .
Dy2 Dy1 O8 Dy2 -115.8(4) 3_776 .
O6 Dy2 O8 Dy1 -70.5(8) . .
O7 Dy2 O8 Dy1 83.3(5) . .
O8 Dy2 O8 Dy1 117.2(4) 3_776 .
O2 Dy2 O8 Dy1 179.9(2) 3_776 .
O3 Dy2 O8 Dy1 34.4(3) . .
O1 Dy2 O8 Dy1 -36.7(3) . .
N3 Dy2 O8 Dy1 -120.1(3) 3_776 .
Dy2 Dy2 O8 Dy1 117.2(4) 3_776 .
Dy1 Dy2 O8 Dy1 149.3(2) 3_776 .
O6 Dy2 O8 Dy2 172.3(7) . 3_776
O7 Dy2 O8 Dy2 -34.0(6) . 3_776
O8 Dy2 O8 Dy2 0.0 3_776 3_776
O2 Dy2 O8 Dy2 62.7(3) 3_776 3_776
O3 Dy2 O8 Dy2 -82.8(3) . 3_776
O1 Dy2 O8 Dy2 -154.0(4) . 3_776
N3 Dy2 O8 Dy2 122.6(4) 3_776 3_776
Dy1 Dy2 O8 Dy2 -117.2(4) . 3_776
Dy1 Dy2 O8 Dy2 32.1(2) 3_776 3_776
O4 Dy1 N1 C9 -167.0(8) . .
O8 Dy1 N1 C9 -31.8(9) . .
O5 Dy1 N1 C9 -90.9(8) . .
O3 Dy1 N1 C9 50.6(8) . .
O1 Dy1 N1 C9 -4.1(7) . .
O2 Dy1 N1 C9 159.5(8) . .
N5 Dy1 N1 C9 111.3(8) . .
Dy2 Dy1 N1 C9 5.8(8) . .
Dy2 Dy1 N1 C9 -31.6(16) 3_776 .
O4 Dy1 N1 C1 13.8(10) . .
O8 Dy1 N1 C1 149.0(10) . .
O5 Dy1 N1 C1 89.9(11) . .
O3 Dy1 N1 C1 -128.6(10) . .
O1 Dy1 N1 C1 176.7(11) . .
O2 Dy1 N1 C1 -19.7(15) . .
N5 Dy1 N1 C1 -67.9(10) . .
Dy2 Dy1 N1 C1 -173.4(10) . .
Dy2 Dy1 N1 C1 149.2(10) 3_776 .
O4 Dy1 N5 C31 -18.5(12) . .
O8 Dy1 N5 C31 -158.2(11) . .
O5 Dy1 N5 C31 12.4(16) . .
O3 Dy1 N5 C31 177.4(13) . .
O1 Dy1 N5 C31 121.3(12) . .
O2 Dy1 N5 C31 -101.9(12) . .
N1 Dy1 N5 C31 61.5(12) . .
Dy2 Dy1 N5 C31 166.2(11) . .
Dy2 Dy1 N5 C31 -127.5(11) 3_776 .
O4 Dy1 N5 C39 151.2(10) . .
O8 Dy1 N5 C39 11.5(12) . .
O5 Dy1 N5 C39 -177.9(8) . .
O3 Dy1 N5 C39 -12.9(9) . .
O1 Dy1 N5 C39 -69.0(10) . .
O2 Dy1 N5 C39 67.8(9) . .
N1 Dy1 N5 C39 -128.8(10) . .
Dy2 Dy1 N5 C39 -24.1(10) . .
Dy2 Dy1 N5 C39 42.2(10) 3_776 .
C9 N1 C1 C2 -6(2) . .
Dy1 N1 C1 C2 173.2(10) . .
N1 C1 C2 C3 5(2) . .
C1 C2 C3 C4 -2(2) . .
C2 C3 C4 C5 177.4(12) . .
C2 C3 C4 C9 0.1(18) . .
C3 C4 C5 C6 -177.2(13) . .
C9 C4 C5 C6 0.0(18) . .
C3 C4 C5 N2 4.7(18) . .
C9 C4 C5 N2 -178.1(11) . .
C10 N2 C5 C6 30(2) . .
C10 N2 C5 C4 -151.9(13) . .
C4 C5 C6 C7 1(2) . .
N2 C5 C6 C7 178.5(14) . .
C5 C6 C7 C8 -3(2) . .
Dy1 O1 C8 C9 -3.1(13) . .
Dy2 O1 C8 C9 -155.2(9) . .
Dy1 O1 C8 C7 179.8(9) . .
Dy2 O1 C8 C7 27.7(17) . .
C6 C7 C8 O1 -177.8(13) . .
C6 C7 C8 C9 5(2) . .
C1 N1 C9 C8 -176.5(11) . .
Dy1 N1 C9 C8 4.2(12) . .
C1 N1 C9 C4 4.1(17) . .
Dy1 N1 C9 C4 -175.2(8) . .
O1 C8 C9 N1 -1.0(15) . .
C7 C8 C9 N1 176.2(11) . .
O1 C8 C9 C4 178.4(10) . .
C7 C8 C9 C4 -4.4(16) . .
C5 C4 C9 N1 -178.6(11) . .
C3 C4 C9 N1 -1.2(16) . .
C5 C4 C9 C8 2.1(17) . .
C3 C4 C9 C8 179.4(11) . .
C5 N2 C10 C11 -179.2(14) . .
N2 C10 C11 C12 -169.3(19) . .
N2 C10 C11 S1 6(2) . .
C14 S1 C11 C12 -2.4(19) . .
C14 S1 C11 C10 -178.9(18) . .
C10 C11 C12 C13 175(2) . .
S1 C11 C12 C13 -1(2) . .
C10 C11 C12 C15 -11(3) . .
S1 C11 C12 C15 172.6(17) . .
C11 C12 C13 C14 6(4) . .
C15 C12 C13 C14 -168(3) . .
C12 C13 C14 S1 -7(4) . .
C11 S1 C14 C13 5(3) . .
C24 N3 C16 C17 3(2) . .
Dy2 N3 C16 C17 -175.2(12) 3_776 .
N3 C16 C17 C18 -1(3) . .
C16 C17 C18 C19 2(2) . .
C17 C18 C19 C24 -3(2) . .
C17 C18 C19 C20 178.2(14) . .
C25 N4 C20 C21 -37(2) . .
C25 N4 C20 C19 147.1(14) . .
C24 C19 C20 N4 178.1(13) . .
C18 C19 C20 N4 -3(2) . .
C24 C19 C20 C21 2(2) . .
C18 C19 C20 C21 -179.3(14) . .
N4 C20 C21 C22 178.8(14) . .
C19 C20 C21 C22 -6(2) . .
C20 C21 C22 C23 2(2) . .
Dy2 O2 C23 C22 -159.9(10) 3_776 .
Dy1 O2 C23 C22 62.5(15) . .
Dy2 O2 C23 C24 22.9(15) 3_776 .
Dy1 O2 C23 C24 -114.7(11) . .
C21 C22 C23 O2 -172.8(12) . .
C21 C22 C23 C24 4(2) . .
C16 N3 C24 C19 -4(2) . .
Dy2 N3 C24 C19 173.8(11) 3_776 .
C16 N3 C24 C23 174.6(12) . .
Dy2 N3 C24 C23 -7.4(15) 3_776 .
C18 C19 C24 N3 5(2) . .
C20 C19 C24 N3 -176.6(13) . .
C18 C19 C24 C23 -174.1(13) . .
C20 C19 C24 C23 5(2) . .
O2 C23 C24 N3 -9.3(18) . .
C22 C23 C24 N3 173.3(12) . .
O2 C23 C24 C19 169.6(12) . .
C22 C23 C24 C19 -8(2) . .
C20 N4 C25 C26 179.1(14) . .
N4 C25 C26 C27 175.4(16) . .
N4 C25 C26 S2 -2(2) . .
C29 S2 C26 C27 -0.4(15) . .
C29 S2 C26 C25 177.4(15) . .
C25 C26 C27 C30 -3(3) . .
S2 C26 C27 C30 174.4(19) . .
C25 C26 C27 C28 -175.9(18) . .
S2 C26 C27 C28 2(2) . .
C30 C27 C28 C29 -175(2) . .
C26 C27 C28 C29 -3(3) . .
C27 C28 C29 S2 3(3) . .
C26 S2 C29 C28 -1(2) . .
C39 N5 C31 C32 2(2) . .
Dy1 N5 C31 C32 171.5(12) . .
N5 C31 C32 C33 -6(3) . .
C31 C32 C33 C34 6(2) . .
C32 C33 C34 C39 -2(2) . .
C32 C33 C34 C35 -179.1(15) . .
C40 N6 C35 C36 22(3) . .
C40 N6 C35 C34 -160.3(18) . .
C33 C34 C35 C36 177.4(15) . .
C39 C34 C35 C36 1(2) . .
C33 C34 C35 N6 0(2) . .
C39 C34 C35 N6 -177.2(13) . .
N6 C35 C36 C37 179.6(14) . .
C34 C35 C36 C37 2(2) . .
C35 C36 C37 C38 -3(2) . .
Dy1 O3 C38 C37 162.9(11) . .
Dy2 O3 C38 C37 -15(2) . .
Dy1 O3 C38 C39 -19.1(15) . .
Dy2 O3 C38 C39 162.6(9) . .
C36 C37 C38 O3 178.8(13) . .
C36 C37 C38 C39 1(2) . .
C31 N5 C39 C34 2(2) . .
Dy1 N5 C39 C34 -169.2(10) . .
C31 N5 C39 C38 179.8(13) . .
Dy1 N5 C39 C38 9.0(15) . .
C33 C34 C39 N5 -1(2) . .
C35 C34 C39 N5 175.6(13) . .
C33 C34 C39 C38 -179.5(13) . .
C35 C34 C39 C38 -3(2) . .
O3 C38 C39 N5 5.5(18) . .
C37 C38 C39 N5 -176.4(13) . .
O3 C38 C39 C34 -176.2(12) . .
C37 C38 C39 C34 2(2) . .
C35 N6 C40 C41 -175(2) . .
N6 C40 C41 C42 -179(3) . .
N6 C40 C41 S3 -5(3) . .
C44 S3 C41 C42 -15(2) . .
C44 S3 C41 C40 170(2) . .
C40 C41 C42 C45 9(6) . .
S3 C41 C42 C45 -165(3) . .
C40 C41 C42 C43 -175(3) . .
S3 C41 C42 C43 10(3) . .
C41 C42 C43 C44 1(4) . .
C45 C42 C43 C44 176(3) . .
C42 C43 C44 S3 -11(4) . .
C41 S3 C44 C43 14(2) . .
Dy1 O4 C47 C48 -3(2) . .
Dy1 O4 C47 C46 178.9(9) . .
O4 C47 C48 C49 -4(2) . .
C46 C47 C48 C49 174.3(14) . .
Dy1 O5 C49 C48 8(2) . .
Dy1 O5 C49 C50 -175.2(9) . .
C47 C48 C49 O5 1(2) . .
C47 C48 C49 C50 -175.5(13) . .
Dy2 O6 C52 C53 27(4) . .
Dy2 O6 C52 C51 -160(2) . .
O6 C52 C53 C54 -4(4) . .
C51 C52 C53 C54 -177(3) . .
Dy2 O7 C54 C53 9(4) . .
Dy2 O7 C54 C55 179.9(13) . .
C52 C53 C54 O7 -13(4) . .
C52 C53 C54 C55 175(2) . .
