#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:00:15 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179044 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/06/4300661.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_4300661
loop_
_publ_author_name
'Gurek, Ayse Gul'
'Basova, Tamara '
'Luneau, Dominique'
'Lebrun, Colette'
'Kol'tsov, Evgeny'
' Hassan, Aseel K. '
'Ahsen, Vefa'
_publ_section_title
;
Synthesis, Structure, Spectroscopic Properties and Magnetic Properties of
Mesomorphic Octakis (hexylthio)-Substituted  Phthalocyanine Rare-Earth
Metal Sandwich Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051754n
_journal_year                    2006
_chemical_formula_sum            'C160 H224 Dy N16 S16'
_chemical_formula_weight         3047.01
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 127.0320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.5634(18)
_cell_length_b                   32.796(2)
_cell_length_c                   20.4807(13)
_cell_measurement_temperature    298(2)
_cell_volume                     16924.4(18)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.196
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4300661
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy Dy 0.5000 1.080557(10) 0.2500 0.04349(13) Uani 1 2 d S . .
S1 S 0.77225(7) 1.02027(5) 0.72790(9) 0.0950(6) Uani 1 1 d . . .
S2 S 0.73696(6) 0.93641(5) 0.65188(9) 0.0764(5) Uani 1 1 d . . .
S3 S 0.49454(7) 0.83698(4) 0.11614(9) 0.0776(5) Uani 1 1 d . . .
S4 S 0.42905(6) 0.87674(4) -0.05005(8) 0.0655(4) Uani 1 1 d . . .
S5 S 0.32465(6) 1.13807(5) -0.24520(8) 0.0799(5) Uani 1 1 d . . .
S6 S 0.35046(6) 1.22236(5) -0.16956(9) 0.0740(5) Uani 1 1 d . . .
S7 S 0.62441(8) 1.32283(5) 0.36090(10) 0.1085(7) Uani 1 1 d . . .
S8 S 0.70441(6) 1.28303(4) 0.52222(9) 0.0736(5) Uani 1 1 d . . .
N1 N 0.58856(15) 1.05619(11) 0.3531(2) 0.0461(10) Uani 1 1 d . . .
N2 N 0.52113(15) 1.02595(11) 0.1950(2) 0.0477(11) Uani 1 1 d . . .
N3 N 0.49477(15) 1.10510(11) 0.1343(2) 0.0466(11) Uani 1 1 d . . .
N4 N 0.56255(14) 1.13539(11) 0.2926(2) 0.0457(10) Uani 1 1 d . . .
N5 N 0.57746(15) 0.98423(11) 0.3172(2) 0.0485(11) Uani 1 1 d . . .
N6 N 0.46455(15) 1.04392(12) 0.0507(2) 0.0479(11) Uani 1 1 d . . .
N7 N 0.51230(15) 1.17724(11) 0.1688(2) 0.0504(11) Uani 1 1 d . . .
N8 N 0.63167(15) 1.11691(12) 0.4338(2) 0.0493(11) Uani 1 1 d . . .
C1 C 0.62440(17) 1.07672(14) 0.4247(3) 0.0430(12) Uani 1 1 d . . .
C2 C 0.65692(19) 1.04793(15) 0.4911(3) 0.0534(14) Uani 1 1 d . . .
C3 C 0.69718(19) 1.05304(16) 0.5746(3) 0.0588(15) Uani 1 1 d . . .
H3 H 0.7079 1.0789 0.5976 0.071 Uiso 1 1 calc R . .
C4 C 0.7207(2) 1.01840(17) 0.6222(3) 0.0629(16) Uani 1 1 d . . .
C5 C 0.7041(2) 0.97873(16) 0.5869(3) 0.0601(15) Uani 1 1 d . . .
C6 C 0.66356(19) 0.97448(16) 0.5044(3) 0.0576(15) Uani 1 1 d . . .
H6 H 0.6518 0.9487 0.4812 0.069 Uiso 1 1 calc R . .
C7 C 0.64077(19) 1.00899(15) 0.4569(3) 0.0488(13) Uani 1 1 d . . .
C8 C 0.59904(19) 1.01481(14) 0.3701(3) 0.0459(13) Uani 1 1 d . . .
C9 C 0.7909(2) 1.07305(17) 0.7479(3) 0.084(2) Uani 1 1 d . . .
H9A H 0.8011 1.0823 0.7141 0.101 Uiso 1 1 calc R . .
H9B H 0.7613 1.0895 0.7353 0.101 Uiso 1 1 calc R . .
C10 C 0.8375(3) 1.0774(2) 0.8380(4) 0.113(3) Uani 1 1 d . . .
H10A H 0.8285 1.0643 0.8707 0.136 Uiso 1 1 calc R . .
H10B H 0.8680 1.0633 0.8482 0.136 Uiso 1 1 calc R . .
C11 C 0.8521(4) 1.1204(3) 0.8643(5) 0.160(4) Uani 1 1 d . . .
H11A H 0.8203 1.1354 0.8465 0.192 Uiso 1 1 calc R . .
H11B H 0.8660 1.1322 0.8373 0.192 Uiso 1 1 calc R . .
C12 C 0.8951(5) 1.1259(4) 0.9609(8) 0.228(7) Uani 1 1 d . . .
H12A H 0.8903 1.1532 0.9740 0.274 Uiso 1 1 calc R . .
H12B H 0.8854 1.1071 0.9865 0.274 Uiso 1 1 calc R . .
C13 C 0.9399(4) 1.1218(6) 0.9934(9) 0.258(9) Uani 1 1 d . . .
H13A H 0.9495 1.1388 0.9654 0.310 Uiso 1 1 calc R . .
H13B H 0.9457 1.0937 0.9858 0.310 Uiso 1 1 calc R . .
C14 C 0.9797(4) 1.1316(3) 1.0877(6) 0.218(6) Uani 1 1 d . . .
H14A H 1.0154 1.1266 1.1065 0.327 Uiso 1 1 calc R . .
H14B H 0.9719 1.1145 1.1172 0.327 Uiso 1 1 calc R . .
H14C H 0.9762 1.1597 1.0968 0.327 Uiso 1 1 calc R . .
C15 C 0.7062(2) 0.89375(16) 0.5827(3) 0.0747(18) Uani 1 1 d . . .
H15A H 0.6688 0.8928 0.5591 0.090 Uiso 1 1 calc R . .
H15B H 0.7091 0.8972 0.5385 0.090 Uiso 1 1 calc R . .
C16 C 0.7325(2) 0.85419(18) 0.6271(4) 0.085(2) Uani 1 1 d . . .
H16A H 0.7289 0.8505 0.6706 0.102 Uiso 1 1 calc R . .
H16B H 0.7700 0.8554 0.6516 0.102 Uiso 1 1 calc R . .
C17 C 0.7071(3) 0.81815(19) 0.5680(4) 0.098(2) Uani 1 1 d . . .
H17A H 0.6697 0.8172 0.5445 0.118 Uiso 1 1 calc R . .
H17B H 0.7096 0.8229 0.5236 0.118 Uiso 1 1 calc R . .
C18 C 0.7316(3) 0.7772(2) 0.6059(4) 0.105(2) Uani 1 1 d . . .
H18A H 0.7689 0.7780 0.6289 0.126 Uiso 1 1 calc R . .
H18B H 0.7293 0.7724 0.6503 0.126 Uiso 1 1 calc R . .
C19 C 0.7055(3) 0.7424(2) 0.5461(5) 0.129(3) Uani 1 1 d . . .
H19A H 0.6683 0.7416 0.5237 0.154 Uiso 1 1 calc R . .
H19B H 0.7073 0.7477 0.5012 0.154 Uiso 1 1 calc R . .
C20 C 0.7289(3) 0.7022(2) 0.5806(5) 0.150(4) Uani 1 1 d . . .
H20A H 0.7104 0.6819 0.5385 0.225 Uiso 1 1 calc R . .
H20B H 0.7260 0.6960 0.6236 0.225 Uiso 1 1 calc R . .
H20C H 0.7656 0.7024 0.6022 0.225 Uiso 1 1 calc R . .
C21 C 0.54234(19) 0.98974(14) 0.2364(3) 0.0509(14) Uani 1 1 d . . .
C22 C 0.52190(19) 0.95649(14) 0.1773(3) 0.0482(13) Uani 1 1 d . . .
C23 C 0.52565(19) 0.91438(15) 0.1849(3) 0.0550(14) Uani 1 1 d . . .
H23 H 0.5474 0.9023 0.2363 0.066 Uiso 1 1 calc R . .
C24 C 0.4964(2) 0.89034(15) 0.1146(3) 0.0525(14) Uani 1 1 d . . .
C25 C 0.4646(2) 0.90939(14) 0.0358(3) 0.0525(14) Uani 1 1 d . . .
C26 C 0.46218(19) 0.95120(15) 0.0295(3) 0.0516(14) Uani 1 1 d . . .
H26 H 0.4423 0.9638 -0.0215 0.062 Uiso 1 1 calc R . .
C27 C 0.48987(19) 0.97409(14) 0.1003(3) 0.0473(13) Uani 1 1 d . . .
C28 C 0.49079(18) 1.01823(14) 0.1127(3) 0.0461(13) Uani 1 1 d . . .
C29 C 0.5470(2) 0.82210(15) 0.2190(3) 0.0701(17) Uani 1 1 d . . .
H29A H 0.5805 0.8333 0.2353 0.084 Uiso 1 1 calc R . .
H29B H 0.5401 0.8322 0.2563 0.084 Uiso 1 1 calc R . .
C30 C 0.5495(3) 0.77630(17) 0.2217(4) 0.089(2) Uani 1 1 d . . .
H30A H 0.5567 0.7668 0.1845 0.106 Uiso 1 1 calc R . .
H30B H 0.5151 0.7657 0.2028 0.106 Uiso 1 1 calc R . .
C31 C 0.5913(3) 0.7595(2) 0.3061(5) 0.134(3) Uani 1 1 d . . .
H31A H 0.5982 0.7794 0.3465 0.161 Uiso 1 1 calc R . .
H31B H 0.6240 0.7557 0.3121 0.161 Uiso 1 1 calc R . .
C32 C 0.5736(8) 0.7131(5) 0.3259(12) 0.360(12) Uani 1 1 d D . .
H32A H 0.5893 0.7082 0.3830 0.432 Uiso 1 1 calc R . .
H32B H 0.5359 0.7073 0.2906 0.432 Uiso 1 1 calc R . .
C33 C 0.6022(7) 0.6965(5) 0.2992(11) 0.228(7) Uani 1 1 d D . .
H33A H 0.6370 0.7089 0.3280 0.273 Uiso 1 1 calc R . .
H33B H 0.5832 0.7007 0.2409 0.273 Uiso 1 1 calc R . .
C34 C 0.6074(5) 0.6457(3) 0.3216(6) 0.212(5) Uani 1 1 d . . .
H34A H 0.6247 0.6320 0.3021 0.317 Uiso 1 1 calc R . .
H34B H 0.5726 0.6345 0.2956 0.317 Uiso 1 1 calc R . .
H34C H 0.6279 0.6422 0.3798 0.317 Uiso 1 1 calc R . .
C35 C 0.3931(2) 0.91205(15) -0.1347(3) 0.0627(15) Uani 1 1 d . . .
H35A H 0.3726 0.9305 -0.1267 0.075 Uiso 1 1 calc R . .
H35B H 0.4180 0.9281 -0.1370 0.075 Uiso 1 1 calc R . .
C36 C 0.3563(2) 0.88902(17) -0.2143(3) 0.0718(17) Uani 1 1 d . . .
H36A H 0.3771 0.8711 -0.2227 0.086 Uiso 1 1 calc R . .
H36B H 0.3324 0.8722 -0.2108 0.086 Uiso 1 1 calc R . .
C37 C 0.3241(2) 0.91771(18) -0.2864(3) 0.0781(18) Uani 1 1 d . . .
H37A H 0.3054 0.9368 -0.2757 0.094 Uiso 1 1 calc R . .
H37B H 0.3481 0.9333 -0.2913 0.094 Uiso 1 1 calc R . .
C38 C 0.2842(2) 0.89653(19) -0.3666(4) 0.086(2) Uani 1 1 d . . .
H38A H 0.3028 0.8774 -0.3775 0.103 Uiso 1 1 calc R . .
H38B H 0.2600 0.8810 -0.3620 0.103 Uiso 1 1 calc R . .
C39 C 0.2529(3) 0.9255(2) -0.4373(4) 0.106(2) Uani 1 1 d . . .
H39A H 0.2774 0.9426 -0.4387 0.127 Uiso 1 1 calc R . .
H39B H 0.2321 0.9430 -0.4283 0.127 Uiso 1 1 calc R . .
C40 C 0.2162(3) 0.9049(2) -0.5190(4) 0.147(3) Uani 1 1 d . . .
H40A H 0.1973 0.9252 -0.5611 0.221 Uiso 1 1 calc R . .
H40B H 0.1914 0.8882 -0.5187 0.221 Uiso 1 1 calc R . .
H40C H 0.2365 0.8882 -0.5295 0.221 Uiso 1 1 calc R . .
C41 C 0.46609(18) 1.08434(15) 0.0608(3) 0.0459(12) Uani 1 1 d . . .
C42 C 0.43728(18) 1.11272(15) -0.0063(3) 0.0467(13) Uani 1 1 d . . .
C43 C 0.39939(19) 1.10709(16) -0.0904(3) 0.0557(14) Uani 1 1 d . . .
H43 H 0.3911 1.0811 -0.1133 0.067 Uiso 1 1 calc R . .
C44 C 0.3745(2) 1.14139(17) -0.1386(3) 0.0573(15) Uani 1 1 d . . .
C45 C 0.3864(2) 1.18082(16) -0.1037(3) 0.0546(14) Uani 1 1 d . . .
C46 C 0.42530(19) 1.18599(16) -0.0197(3) 0.0549(14) Uani 1 1 d . . .
H46 H 0.4346 1.2118 0.0038 0.066 Uiso 1 1 calc R . .
C47 C 0.44938(19) 1.15164(15) 0.0272(3) 0.0474(13) Uani 1 1 d . . .
C48 C 0.48814(19) 1.14617(14) 0.1163(3) 0.0474(13) Uani 1 1 d . . .
C49 C 0.3262(2) 1.08572(18) -0.2699(3) 0.086(2) Uani 1 1 d . . .
H49A H 0.3615 1.0783 -0.2520 0.103 Uiso 1 1 calc R . .
H49B H 0.3162 1.0677 -0.2436 0.103 Uiso 1 1 calc R . .
C50 C 0.2854(4) 1.0825(2) -0.3648(4) 0.156(4) Uani 1 1 d . . .
H50A H 0.2557 1.1000 -0.3816 0.187 Uiso 1 1 calc R . .
H50B H 0.3021 1.0941 -0.3878 0.187 Uiso 1 1 calc R . .
C51 C 0.2664(4) 1.0477(4) -0.3987(5) 0.195(5) Uani 1 1 d . . .
H51A H 0.2497 1.0361 -0.3758 0.234 Uiso 1 1 calc R . .
H51B H 0.2961 1.0302 -0.3822 0.234 Uiso 1 1 calc R . .
C52 C 0.2275(4) 1.0452(4) -0.4894(5) 0.178(5) Uani 1 1 d . . .
H52A H 0.2269 1.0718 -0.5105 0.214 Uiso 1 1 calc R . .
H52B H 0.2423 1.0265 -0.5075 0.214 Uiso 1 1 calc R . .
C53 C 0.1811(5) 1.0351(4) -0.5246(7) 0.241(7) Uani 1 1 d . . .
H53A H 0.1644 1.0561 -0.5138 0.289 Uiso 1 1 calc R . .
H53B H 0.1813 1.0104 -0.4984 0.289 Uiso 1 1 calc R . .
C54 C 0.1449(4) 1.0273(3) -0.6163(6) 0.198(5) Uani 1 1 d . . .
H54A H 0.1099 1.0207 -0.6335 0.298 Uiso 1 1 calc R . .
H54B H 0.1586 1.0050 -0.6288 0.298 Uiso 1 1 calc R . .
H54C H 0.1434 1.0513 -0.6445 0.298 Uiso 1 1 calc R . .
C55 C 0.3806(2) 1.26604(16) -0.1021(3) 0.0803(19) Uani 1 1 d . . .
H55A H 0.3780 1.2629 -0.0576 0.096 Uiso 1 1 calc R . .
H55B H 0.4180 1.2671 -0.0788 0.096 Uiso 1 1 calc R . .
C56 C 0.3543(3) 1.3052(2) -0.1466(4) 0.101(2) Uani 1 1 d . . .
H56A H 0.3172 1.3044 -0.1687 0.121 Uiso 1 1 calc R . .
H56B H 0.3561 1.3080 -0.1921 0.121 Uiso 1 1 calc R . .
C57 C 0.3813(3) 1.3426(2) -0.0892(5) 0.129(3) Uani 1 1 d . . .
H57A H 0.3803 1.3393 -0.0431 0.154 Uiso 1 1 calc R . .
H57B H 0.4182 1.3436 -0.0682 0.154 Uiso 1 1 calc R . .
C58 C 0.3553(4) 1.3814(3) -0.1309(6) 0.163(4) Uani 1 1 d . . .
H58A H 0.3186 1.3811 -0.1507 0.196 Uiso 1 1 calc R . .
H58B H 0.3559 1.3850 -0.1774 0.196 Uiso 1 1 calc R . .
C59 C 0.3849(5) 1.4162(3) -0.0706(8) 0.238(7) Uani 1 1 d . . .
H59A H 0.3821 1.4133 -0.0262 0.286 Uiso 1 1 calc R . .
H59B H 0.4222 1.4147 -0.0475 0.286 Uiso 1 1 calc R . .
C60 C 0.3659(6) 1.4526(4) -0.1058(7) 0.314(10) Uani 1 1 d . . .
H60A H 0.3858 1.4737 -0.0659 0.471 Uiso 1 1 calc R . .
H60B H 0.3292 1.4545 -0.1273 0.471 Uiso 1 1 calc R . .
H60C H 0.3689 1.4558 -0.1494 0.471 Uiso 1 1 calc R . .
C61 C 0.54885(19) 1.17159(14) 0.2500(3) 0.0474(13) Uani 1 1 d . . .
C62 C 0.58134(19) 1.20484(14) 0.3061(3) 0.0490(13) Uani 1 1 d . . .
C63 C 0.5821(2) 1.24645(15) 0.2964(3) 0.0583(15) Uani 1 1 d . . .
H63 H 0.5581 1.2586 0.2455 0.070 Uiso 1 1 calc R . .
C64 C 0.6192(2) 1.26974(15) 0.3637(3) 0.0622(16) Uani 1 1 d . . .
C65 C 0.6568(2) 1.25114(14) 0.4416(3) 0.0555(14) Uani 1 1 d . . .
C66 C 0.65499(19) 1.20930(14) 0.4500(3) 0.0534(14) Uani 1 1 d . . .
H66 H 0.6790 1.1966 0.5002 0.064 Uiso 1 1 calc R . .
C67 C 0.61676(19) 1.18694(14) 0.3821(3) 0.0465(13) Uani 1 1 d . . .
C68 C 0.60453(18) 1.14330(14) 0.3721(3) 0.0446(13) Uani 1 1 d . . .
C69 C 0.5727(3) 1.33816(17) 0.2618(4) 0.097(2) Uani 1 1 d . . .
H69A H 0.5769 1.3262 0.2227 0.116 Uiso 1 1 calc R . .
H69B H 0.5389 1.3295 0.2482 0.116 Uiso 1 1 calc R . .
C70 C 0.5749(3) 1.3844(2) 0.2596(5) 0.125(3) Uani 1 1 d . . .
H70A H 0.5726 1.3958 0.3012 0.150 Uiso 1 1 calc R . .
H70B H 0.6087 1.3925 0.2725 0.150 Uiso 1 1 calc R . .
C71 C 0.5318(4) 1.4014(3) 0.1795(6) 0.171(4) Uani 1 1 d . . .
H71A H 0.4977 1.3940 0.1663 0.205 Uiso 1 1 calc R . .
H71B H 0.5337 1.3904 0.1373 0.205 Uiso 1 1 calc R . .
C72 C 0.5377(7) 1.4491(4) 0.1832(9) 0.260(8) Uani 1 1 d . . .
H72A H 0.5408 1.4584 0.2309 0.312 Uiso 1 1 calc R . .
H72B H 0.5711 1.4552 0.1929 0.312 Uiso 1 1 calc R . .
C73 C 0.5053(9) 1.4689(4) 0.1281(12) 0.397(16) Uani 1 1 d . . .
H73A H 0.4717 1.4617 0.1172 0.477 Uiso 1 1 calc R . .
H73B H 0.5032 1.4600 0.0810 0.477 Uiso 1 1 calc R . .
C74 C 0.5084(7) 1.5143(5) 0.1303(9) 0.342(10) Uani 1 1 d . . .
H74A H 0.4813 1.5250 0.0770 0.513 Uiso 1 1 calc R . .
H74B H 0.5426 1.5225 0.1463 0.513 Uiso 1 1 calc R . .
H74C H 0.5033 1.5245 0.1690 0.513 Uiso 1 1 calc R . .
C75 C 0.7452(2) 1.24879(16) 0.6063(3) 0.0664(16) Uani 1 1 d . . .
H75A H 0.7237 1.2345 0.6183 0.080 Uiso 1 1 calc R . .
H75B H 0.7610 1.2287 0.5921 0.080 Uiso 1 1 calc R . .
C76 C 0.7883(2) 1.27266(17) 0.6806(3) 0.0691(17) Uani 1 1 d . . .
H76A H 0.7722 1.2928 0.6941 0.083 Uiso 1 1 calc R . .
H76B H 0.8094 1.2870 0.6679 0.083 Uiso 1 1 calc R . .
C77 C 0.8243(2) 1.24495(17) 0.7542(3) 0.0765(18) Uani 1 1 d . . .
H77A H 0.8030 1.2313 0.7673 0.092 Uiso 1 1 calc R . .
H77B H 0.8388 1.2241 0.7391 0.092 Uiso 1 1 calc R . .
C78 C 0.8695(2) 1.2664(2) 0.8295(4) 0.096(2) Uani 1 1 d . . .
H78A H 0.8552 1.2859 0.8472 0.115 Uiso 1 1 calc R . .
H78B H 0.8897 1.2815 0.8159 0.115 Uiso 1 1 calc R . .
C79 C 0.9067(3) 1.2371(3) 0.9000(4) 0.154(4) Uani 1 1 d . . .
H79A H 0.8862 1.2242 0.9153 0.185 Uiso 1 1 calc R . .
H79B H 0.9165 1.2158 0.8784 0.185 Uiso 1 1 calc R . .
C80 C 0.9499(4) 1.2504(3) 0.9661(6) 0.227(6) Uani 1 1 d . . .
H80A H 0.9692 1.2279 1.0025 0.341 Uiso 1 1 calc R . .
H80B H 0.9415 1.2696 0.9921 0.341 Uiso 1 1 calc R . .
H80C H 0.9712 1.2634 0.9531 0.341 Uiso 1 1 calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy N1 2.409(4) 2_655 ?
Dy N1 2.409(4) . ?
Dy N3 2.412(4) 2_655 ?
Dy N3 2.412(4) . ?
Dy N4 2.412(4) . ?
Dy N4 2.412(4) 2_655 ?
Dy N2 2.413(4) . ?
Dy N2 2.413(4) 2_655 ?
S1 C4 1.759(5) . ?
S1 C9 1.794(6) . ?
S2 C5 1.764(5) . ?
S2 C15 1.803(6) . ?
S3 C24 1.752(5) . ?
S3 C29 1.794(5) . ?
S4 C25 1.766(5) . ?
S4 C35 1.807(5) . ?
S5 C44 1.765(5) . ?
S5 C49 1.799(6) . ?
S6 C45 1.766(5) . ?
S6 C55 1.812(6) . ?
S7 C69 1.745(6) . ?
S7 C64 1.753(5) . ?
S8 C65 1.758(5) . ?
S8 C75 1.793(5) . ?
N1 C1 1.372(5) . ?
N1 C8 1.391(5) . ?
N2 C28 1.371(5) . ?
N2 C21 1.376(6) . ?
N3 C48 1.379(5) . ?
N3 C41 1.381(5) . ?
N4 C68 1.369(5) . ?
N4 C61 1.380(6) . ?
N5 C8 1.325(5) . ?
N5 C21 1.338(6) . ?
N6 C28 1.319(5) . ?
N6 C41 1.338(6) . ?
N7 C48 1.337(5) . ?
N7 C61 1.349(5) . ?
N8 C1 1.332(5) . ?
N8 C68 1.333(5) . ?
C1 C2 1.454(6) . ?
C2 C3 1.396(6) . ?
C2 C7 1.397(6) . ?
C3 C4 1.386(7) . ?
C4 C5 1.426(7) . ?
C5 C6 1.382(6) . ?
C6 C7 1.379(6) . ?
C7 C8 1.452(6) . ?
C9 C10 1.522(8) . ?
C10 C11 1.482(10) . ?
C11 C12 1.599(13) . ?
C12 C13 1.152(15) . ?
C13 C14 1.578(15) . ?
C15 C16 1.514(7) . ?
C16 C17 1.529(8) . ?
C17 C18 1.510(8) . ?
C18 C19 1.507(9) . ?
C19 C20 1.466(9) . ?
C21 C22 1.459(6) . ?
C22 C27 1.386(6) . ?
C22 C23 1.387(6) . ?
C23 C24 1.395(6) . ?
C24 C25 1.432(6) . ?
C25 C26 1.375(6) . ?
C26 C27 1.380(6) . ?
C27 C28 1.467(6) . ?
C29 C30 1.503(7) . ?
C30 C31 1.511(8) . ?
C31 C32 1.752(19) . ?
C32 C33 1.416(9) . ?
C33 C34 1.709(16) . ?
C35 C36 1.515(6) . ?
C36 C37 1.515(7) . ?
C37 C38 1.508(7) . ?
C38 C39 1.499(8) . ?
C39 C40 1.504(8) . ?
C41 C42 1.442(6) . ?
C42 C47 1.390(6) . ?
C42 C43 1.395(6) . ?
C43 C44 1.387(6) . ?
C44 C45 1.415(7) . ?
C45 C46 1.396(6) . ?
C46 C47 1.375(6) . ?
C47 C48 1.472(6) . ?
C49 C50 1.560(8) . ?
C50 C51 1.283(10) . ?
C51 C52 1.489(10) . ?
C52 C53 1.226(12) . ?
C53 C54 1.520(12) . ?
C55 C56 1.504(7) . ?
C56 C57 1.550(9) . ?
C57 C58 1.475(9) . ?
C58 C59 1.522(12) . ?
C59 C60 1.336(13) . ?
C61 C62 1.464(6) . ?
C62 C63 1.382(6) . ?
C62 C67 1.385(6) . ?
C63 C64 1.382(6) . ?
C64 C65 1.430(6) . ?
C65 C66 1.389(6) . ?
C66 C67 1.381(6) . ?
C67 C68 1.464(6) . ?
C69 C70 1.521(8) . ?
C70 C71 1.470(10) . ?
C71 C72 1.572(14) . ?
C72 C73 1.162(18) . ?
C73 C74 1.491(17) . ?
C75 C76 1.511(6) . ?
C76 C77 1.526(7) . ?
C77 C78 1.502(7) . ?
C78 C79 1.531(9) . ?
C79 C80 1.288(9) . ?
