#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:49:12 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185349 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/94/7039485.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_7039485
loop_
_publ_author_name
'She, Shixiong'
'Li, Yahong'
'Li, Wu'
_publ_section_title
;
 Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and
 Co(II)) cores exhibiting slow magnetic relaxation.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10830
_journal_page_last               10835
_journal_paper_doi               10.1039/c6dt00951d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'C60 H50 Co2 Dy2 N5 O22, C62 H51 Co2 Dy2 N5 O23, N O3,12(H2O),2(C2H5OH)'
_chemical_formula_sum            'C126 H137 Co4 Dy4 N11 O62'
_chemical_formula_weight         3683.18
_space_group_crystal_system      tetragonal
_space_group_IT_number           80
_space_group_name_Hall           'I 4bw'
_space_group_name_H-M_alt        'I 41'
_symmetry_space_group_name_Hall  'I 4bw'
_symmetry_space_group_name_H-M   'I 41'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2016-06-03
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-06-03 deposited with the CCDC.
2016-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.2860(12)
_cell_length_b                   26.2860(12)
_cell_length_c                   44.3921(15)
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.242
_cell_measurement_theta_min      0.9
_cell_volume                     30673(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      291.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoKα
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            112866
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.308
_diffrn_reflns_theta_min         0.900
_exptl_absorpt_coefficient_mu    2.436
_exptl_absorpt_correction_T_max  0.614
_exptl_absorpt_correction_T_min  0.563
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_description       block
_exptl_crystal_F_000             14704
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.400(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1753
_refine_ls_number_reflns         37997
_refine_ls_number_restraints     2131
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0097P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0467
_reflns_Friedel_coverage         0.975
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                29600
_reflns_number_total             37997
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt00951d2.cif
_cod_data_source_block           2_sq_s
_cod_depositor_comments
'Adding full bibliography for 7039485--7039486.cif.'
_cod_original_cell_volume        30673(3)
_cod_database_code               7039485
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.641
_shelx_estimated_absorpt_t_min   0.592
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.600(4) 0.400(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
3. Restrained distances
 O3-N1 \\sim O2-N1 \\sim O4-N1
 with sigma of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: O1(0.5) O5AA(0.5) O6AA(0.5) N1AA(0.5) N1(0.5) O2(0.5) O3(0.5)
 O4(0.5)
6.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB)
6.b Aromatic/amide H refined with riding coordinates:
 C5AA(H5AA), C6AA(H6AA), C5(H5), C8(H8), C10(H10), C0AA(H0AA), C12(H12),
 C13(H13), C18(H18), C19(H19), C20(H20), C23(H23), C25(H25), C26(H26), C27(H27),
  C28(H28), C33(H33), C34(H34), C35(H35), C38(H38), C40(H40), C41(H41),
 C42(H42), C43(H43), C48(H48), C49(H49), C50(H50), C53(H53), C55(H55), C56(H56),
  C57(H57), C58(H58), C63(H63), C64(H64), C65(H65), C68(H68), C70(H70),
 C71(H71), C72(H72), C73(H73), C78(H78), C79(H79), C80(H80), C83(H83), C85(H85),
  C86(H86), C87(H87), C88(H88), C93(H93), C94(H94), C95(H95), C98(H98),
 C100(H100), C101(H101), C102(H102), C103(H103), C108(H108), C109(H109),
 C110(H110), C113(H113), C115(H115), C116(H116), C117(H117), C118(H118)
6.c Idealised Me refined as rotating group:
 C3AA(H3AA,H3AB,H3AC), C16(H16A,H16B,H16C), C31(H31A,H31B,H31C), C1AA(H1AA,
 H1AB,H1AC), C61(H61A,H61B,H61C), C76(H76A,H76B,H76C), C91(H91A,H91B,H91C),
 C106(H10A,H10B,H10C), C122(H12A,H12B,H12C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x+1/2, z+1/4'
'-x, -y, z'
'y, -x+1/2, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-y+1/2, x+1, z+3/4'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1, z+3/4'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 0.74043(2) -0.14423(2) 0.10961(2) 0.03488(14) Uani 1 1 d . U .
Co2 Co 0.66495(3) -0.27445(2) 0.01336(2) 0.03966(16) Uani 1 1 d . U .
Co3 Co 0.78725(3) 0.14003(3) 0.17292(2) 0.04077(16) Uani 1 1 d . U .
Co4 Co 0.67195(3) 0.24084(2) 0.07421(2) 0.03928(16) Uani 1 1 d . U .
Dy1 Dy 0.62613(2) -0.19835(2) 0.13515(2) 0.03902(6) Uani 1 1 d . U .
Dy2 Dy 0.68701(2) -0.16040(2) -0.02528(2) 0.03890(6) Uani 1 1 d . U .
Dy3 Dy 0.66204(2) 0.16534(2) 0.19568(2) 0.04195(6) Uani 1 1 d . U .
Dy4 Dy 0.72565(2) 0.13579(2) 0.03744(2) 0.03924(6) Uani 1 1 d . U .
C3AA C 0.6604(2) -0.3034(2) 0.18661(12) 0.0701(18) Uani 1 1 d . U .
H3AA H 0.6430 -0.3335 0.1799 0.105 Uiso 1 1 calc GR . .
H3AB H 0.6381 -0.2837 0.1991 0.105 Uiso 1 1 calc GR . .
H3AC H 0.6900 -0.3129 0.1979 0.105 Uiso 1 1 calc GR . .
C4AA C 0.7156(2) -0.2924(2) 0.14540(11) 0.0517(13) Uani 1 1 d . U .
C5AA C 0.7390(2) -0.3389(2) 0.14864(13) 0.0608(15) Uani 1 1 d . U .
H5AA H 0.7260 -0.3625 0.1622 0.073 Uiso 1 1 calc R . .
C6AA C 0.7817(2) -0.3507(2) 0.13179(14) 0.0702(17) Uani 1 1 d . U .
H6AA H 0.7968 -0.3825 0.1339 0.084 Uiso 1 1 calc R . .
C5 C 0.8021(2) -0.3156(2) 0.11180(13) 0.0656(16) Uani 1 1 d . U .
H5 H 0.8311 -0.3239 0.1008 0.079 Uiso 1 1 calc R . .
C6 C 0.7795(2) -0.2676(2) 0.10799(11) 0.0504(13) Uani 1 1 d . U .
C7 C 0.73526(19) -0.25541(19) 0.12465(10) 0.0423(12) Uani 1 1 d . U .
C8 C 0.8034(2) -0.2319(2) 0.08711(10) 0.0493(13) Uani 1 1 d . U .
H8 H 0.8303 -0.2441 0.0756 0.059 Uiso 1 1 calc R . .
C9 C 0.8166(2) -0.1553(2) 0.06099(10) 0.0474(12) Uani 1 1 d . U .
C10 C 0.8696(2) -0.1551(2) 0.05859(12) 0.0602(15) Uani 1 1 d . U .
H10 H 0.8888 -0.1768 0.0707 0.072 Uiso 1 1 calc R . .
C0AA C 0.8938(2) -0.1232(2) 0.03861(13) 0.0702(17) Uani 1 1 d . U .
H0AA H 0.9291 -0.1232 0.0372 0.084 Uiso 1 1 calc R . .
C12 C 0.8650(2) -0.0913(2) 0.02073(14) 0.0681(16) Uani 1 1 d . U .
H12 H 0.8809 -0.0689 0.0075 0.082 Uiso 1 1 calc R . .
C13 C 0.8140(2) -0.0924(2) 0.02234(11) 0.0561(14) Uani 1 1 d . U .
H13 H 0.7956 -0.0715 0.0094 0.067 Uiso 1 1 calc R . .
C14 C 0.78694(18) -0.12353(18) 0.04249(10) 0.0416(11) Uani 1 1 d . U .
C15 C 0.72951(18) -0.12355(17) 0.04300(9) 0.0364(11) Uani 1 1 d . U .
C16 C 0.5274(2) -0.1102(2) 0.15196(12) 0.0632(16) Uani 1 1 d . U .
H16A H 0.5284 -0.0842 0.1671 0.095 Uiso 1 1 calc GR . .
H16B H 0.5177 -0.1419 0.1610 0.095 Uiso 1 1 calc GR . .
H16C H 0.5030 -0.1012 0.1368 0.095 Uiso 1 1 calc GR . .
C17 C 0.60081(18) -0.0704(2) 0.13190(10) 0.0423(11) Uani 1 1 d . U .
C18 C 0.5780(2) -0.0245(2) 0.13142(11) 0.0510(13) Uani 1 1 d . U .
H18 H 0.5433 -0.0220 0.1351 0.061 Uiso 1 1 calc R . .
C19 C 0.6069(2) 0.0203(2) 0.12532(11) 0.0544(14) Uani 1 1 d . U .
H19 H 0.5918 0.0523 0.1256 0.065 Uiso 1 1 calc R . .
C20 C 0.6570(2) 0.01466(19) 0.11918(10) 0.0472(12) Uani 1 1 d . U .
H20 H 0.6759 0.0436 0.1148 0.057 Uiso 1 1 calc R . .
C21 C 0.68206(18) -0.03280(17) 0.11904(9) 0.0355(10) Uani 1 1 d . U .
C22 C 0.65330(17) -0.07616(18) 0.12592(9) 0.0354(10) Uani 1 1 d . U .
C23 C 0.73654(18) -0.03161(19) 0.11551(9) 0.0383(11) Uani 1 1 d . U .
H23 H 0.7516 0.0004 0.1144 0.046 Uiso 1 1 calc R . .
C24 C 0.81996(18) -0.06295(18) 0.11331(10) 0.0382(11) Uani 1 1 d . U .
C25 C 0.8436(2) -0.02992(18) 0.09313(11) 0.0467(12) Uani 1 1 d . U .
H25 H 0.8236 -0.0096 0.0807 0.056 Uiso 1 1 calc R . .
C26 C 0.8953(2) -0.0267(2) 0.09119(11) 0.0501(13) Uani 1 1 d . U .
H26 H 0.9102 -0.0048 0.0773 0.060 Uiso 1 1 calc R . .
C27 C 0.9253(2) -0.0557(2) 0.10967(12) 0.0531(14) Uani 1 1 d . U .
H27 H 0.9605 -0.0545 0.1077 0.064 Uiso 1 1 calc R . .
C28 C 0.90303(19) -0.0870(2) 0.13140(11) 0.0496(13) Uani 1 1 d . U .
H28 H 0.9237 -0.1044 0.1449 0.060 Uiso 1 1 calc R . .
C29 C 0.85107(18) -0.09261(17) 0.13313(10) 0.0386(11) Uani 1 1 d . U .
C30 C 0.82740(18) -0.12980(19) 0.15528(10) 0.0395(11) Uani 1 1 d . U .
C31 C 0.5979(3) -0.0702(2) 0.00248(18) 0.104(3) Uani 1 1 d . U .
H31A H 0.5904 -0.0466 -0.0134 0.157 Uiso 1 1 calc GR . .
H31B H 0.6294 -0.0609 0.0119 0.157 Uiso 1 1 calc GR . .
H31C H 0.5711 -0.0695 0.0172 0.157 Uiso 1 1 calc GR . .
C32 C 0.5628(2) -0.1525(2) -0.00374(10) 0.0454(12) Uani 1 1 d . U .
C33 C 0.5132(2) -0.1384(2) -0.00160(10) 0.0553(14) Uani 1 1 d . U .
H33 H 0.5038 -0.1046 -0.0039 0.066 Uiso 1 1 calc R . .
C34 C 0.4768(2) -0.1756(3) 0.00406(11) 0.0624(15) Uani 1 1 d . U .
H34 H 0.4426 -0.1665 0.0055 0.075 Uiso 1 1 calc R . .
C35 C 0.4906(2) -0.2249(2) 0.00749(11) 0.0570(14) Uani 1 1 d . U .
H35 H 0.4657 -0.2495 0.0107 0.068 Uiso 1 1 calc R . .
C36 C 0.54191(19) -0.2397(2) 0.00630(10) 0.0443(12) Uani 1 1 d . U .
C37 C 0.57823(19) -0.20377(19) -0.00056(10) 0.0395(11) Uani 1 1 d . U .
C38 C 0.5529(2) -0.2941(2) 0.00743(10) 0.0491(13) Uani 1 1 d . U .
H38 H 0.5252 -0.3161 0.0084 0.059 Uiso 1 1 calc R . .
C39 C 0.6016(2) -0.3672(2) 0.00371(11) 0.0547(14) Uani 1 1 d . U .
C40 C 0.5738(2) -0.4005(2) 0.02172(13) 0.0713(18) Uani 1 1 d . U .
H40 H 0.5512 -0.3872 0.0358 0.086 Uiso 1 1 calc R . .
C41 C 0.5787(3) -0.4517(3) 0.01932(16) 0.107(3) Uani 1 1 d . U .
H41 H 0.5595 -0.4735 0.0313 0.128 Uiso 1 1 calc R . .
C42 C 0.6134(4) -0.4708(3) -0.00163(16) 0.111(3) Uani 1 1 d . U .
H42 H 0.6182 -0.5057 -0.0030 0.133 Uiso 1 1 calc R . .
C43 C 0.6406(3) -0.4392(2) -0.02035(13) 0.082(2) Uani 1 1 d . U .
H43 H 0.6625 -0.4527 -0.0347 0.099 Uiso 1 1 calc R . .
C44 C 0.6349(2) -0.3866(2) -0.01757(10) 0.0548(14) Uani 1 1 d . U .
C45 C 0.6671(2) -0.35382(19) -0.03808(10) 0.0461(12) Uani 1 1 d . U .
C1AA C 0.8091(2) -0.1427(2) -0.05299(14) 0.083(2) Uani 1 1 d . U .
H1AA H 0.8380 -0.1245 -0.0454 0.124 Uiso 1 1 calc GR . .
H1AB H 0.7865 -0.1194 -0.0630 0.124 Uiso 1 1 calc GR . .
H1AC H 0.8202 -0.1682 -0.0670 0.124 Uiso 1 1 calc GR . .
C2AA C 0.8062(2) -0.2084(2) -0.01515(12) 0.0560(14) Uani 1 1 d . U .
C48 C 0.8566(2) -0.2210(3) -0.01732(14) 0.0717(18) Uani 1 1 d . U .
H48 H 0.8776 -0.2007 -0.0291 0.086 Uiso 1 1 calc R . .
C49 C 0.8768(2) -0.2610(3) -0.00327(16) 0.0783(19) Uani 1 1 d . U .
H49 H 0.9114 -0.2676 -0.0049 0.094 Uiso 1 1 calc R . .
C50 C 0.8454(2) -0.2934(3) 0.01413(15) 0.0775(19) Uani 1 1 d . U .
H50 H 0.8599 -0.3210 0.0241 0.093 Uiso 1 1 calc R . .
C51 C 0.7924(2) -0.2849(2) 0.01679(12) 0.0585(14) Uani 1 1 d . U .
C52 C 0.7728(2) -0.2406(2) 0.00241(11) 0.0490(13) Uani 1 1 d . U .
C53 C 0.7642(2) -0.3191(2) 0.03438(12) 0.0604(15) Uani 1 1 d . U .
H53 H 0.7826 -0.3431 0.0452 0.072 Uiso 1 1 calc R . .
C54 C 0.6921(2) -0.3566(2) 0.05718(11) 0.0598(15) Uani 1 1 d . U .
C55 C 0.7058(3) -0.4086(2) 0.05631(14) 0.085(2) Uani 1 1 d . U .
H55 H 0.7320 -0.4192 0.0437 0.102 Uiso 1 1 calc R . .
C56 C 0.6808(3) -0.4439(3) 0.07385(17) 0.101(3) Uani 1 1 d . U .
H56 H 0.6877 -0.4784 0.0718 0.122 Uiso 1 1 calc R . .
C57 C 0.6461(3) -0.4273(2) 0.09420(15) 0.095(2) Uani 1 1 d . U .
H57 H 0.6300 -0.4503 0.1069 0.114 Uiso 1 1 calc R . .
C58 C 0.6350(3) -0.3771(2) 0.09589(13) 0.0785(19) Uani 1 1 d . U .
H58 H 0.6123 -0.3667 0.1107 0.094 Uiso 1 1 calc R . .
C59 C 0.6551(2) -0.3404(2) 0.07723(11) 0.0551(14) Uani 1 1 d . U .
C60 C 0.63882(19) -0.2872(2) 0.07963(10) 0.0471(13) Uani 1 1 d . U .
C61 C 0.5829(2) 0.0540(2) 0.20652(14) 0.0771(19) Uani 1 1 d . U .
H61A H 0.5706 0.0339 0.1900 0.116 Uiso 1 1 calc GR . .
H61B H 0.5609 0.0827 0.2094 0.116 Uiso 1 1 calc GR . .
H61C H 0.5833 0.0336 0.2245 0.116 Uiso 1 1 calc GR . .
C62 C 0.6699(2) 0.0339(2) 0.19466(10) 0.0509(13) Uani 1 1 d . U .
C63 C 0.6607(2) -0.0183(2) 0.19363(10) 0.0547(14) Uani 1 1 d . U .
H63 H 0.6277 -0.0303 0.1965 0.066 Uiso 1 1 calc R . .
C64 C 0.6994(2) -0.0522(2) 0.18849(11) 0.0572(14) Uani 1 1 d . U .
H64 H 0.6924 -0.0868 0.1876 0.069 Uiso 1 1 calc R . .
C65 C 0.7480(2) -0.0353(2) 0.18470(10) 0.0555(14) Uani 1 1 d . U .
H65 H 0.7742 -0.0588 0.1821 0.067 Uiso 1 1 calc R . .
C66 C 0.7593(2) 0.0173(2) 0.18469(10) 0.0470(12) Uani 1 1 d . U .
C67 C 0.7189(2) 0.05297(19) 0.18993(9) 0.0425(12) Uani 1 1 d . U .
C68 C 0.8129(2) 0.0308(2) 0.18274(10) 0.0462(12) Uani 1 1 d . U .
H68 H 0.8363 0.0043 0.1834 0.055 Uiso 1 1 calc R . .
C69 C 0.8841(2) 0.0819(2) 0.18254(10) 0.0480(13) Uani 1 1 d . U .
C70 C 0.9163(2) 0.0542(2) 0.16493(12) 0.0595(15) Uani 1 1 d . U .
H70 H 0.9037 0.0301 0.1515 0.071 Uiso 1 1 calc R . .
C71 C 0.9690(3) 0.0625(2) 0.16737(15) 0.0777(19) Uani 1 1 d . U .
H71 H 0.9906 0.0433 0.1553 0.093 Uiso 1 1 calc R . .
C72 C 0.9903(2) 0.0974(3) 0.18649(14) 0.0773(19) Uani 1 1 d . U .
H72 H 1.0253 0.1023 0.1877 0.093 Uiso 1 1 calc R . .
C73 C 0.9552(2) 0.1256(2) 0.20450(11) 0.0567(14) Uani 1 1 d . U .
H73 H 0.9680 0.1491 0.2182 0.068 Uiso 1 1 calc R . .
C74 C 0.90295(19) 0.11946(19) 0.20247(10) 0.0443(12) Uani 1 1 d . U .
C75 C 0.86922(18) 0.15236(18) 0.22203(10) 0.0407(11) Uani 1 1 d . U .
C76 C 0.6668(2) 0.2807(2) 0.24273(13) 0.0792(19) Uani 1 1 d . U .
H76A H 0.6915 0.2959 0.2559 0.119 Uiso 1 1 calc GR . .
H76B H 0.6459 0.2577 0.2540 0.119 Uiso 1 1 calc GR . .
H76C H 0.6460 0.3068 0.2340 0.119 Uiso 1 1 calc GR . .
C77 C 0.7274(2) 0.2795(2) 0.20202(11) 0.0511(13) Uani 1 1 d . U .
C78 C 0.7379(2) 0.3308(2) 0.20325(13) 0.0653(16) Uani 1 1 d . U .
H78 H 0.7194 0.3520 0.2160 0.078 Uiso 1 1 calc R . .
C79 C 0.7764(3) 0.3505(2) 0.18533(15) 0.0717(18) Uani 1 1 d . U .
H79 H 0.7834 0.3852 0.1859 0.086 Uiso 1 1 calc R . .
C80 C 0.8036(2) 0.3203(2) 0.16718(13) 0.0624(15) Uani 1 1 d . U .
H80 H 0.8294 0.3339 0.1554 0.075 Uiso 1 1 calc R . .
C81 C 0.7929(2) 0.2682(2) 0.16602(11) 0.0516(13) Uani 1 1 d . U .
C82 C 0.7542(2) 0.24730(19) 0.18286(10) 0.0428(12) Uani 1 1 d . U .
C83 C 0.8251(2) 0.2375(2) 0.14637(11) 0.0532(14) Uani 1 1 d . U .
H83 H 0.8465 0.2552 0.1334 0.064 Uiso 1 1 calc R . .
C84 C 0.8595(2) 0.1656(2) 0.12336(10) 0.0492(13) Uani 1 1 d . U .
C85 C 0.9099(2) 0.1769(2) 0.12179(13) 0.0611(15) Uani 1 1 d . U .
H85 H 0.9240 0.2014 0.1344 0.073 Uiso 1 1 calc R . .
C86 C 0.9405(2) 0.1508(2) 0.10066(14) 0.0720(17) Uani 1 1 d . U .
H86 H 0.9751 0.1579 0.0996 0.086 Uiso 1 1 calc R . .
C87 C 0.9202(2) 0.1153(2) 0.08178(14) 0.0659(16) Uani 1 1 d . U .
H87 H 0.9409 0.0981 0.0682 0.079 Uiso 1 1 calc R . .
C88 C 0.8703(2) 0.1054(2) 0.08304(12) 0.0545(14) Uani 1 1 d . U .
H88 H 0.8565 0.0824 0.0694 0.065 Uiso 1 1 calc R . .
C89 C 0.8386(2) 0.12828(19) 0.10380(10) 0.0449(12) Uani 1 1 d . U .
C90 C 0.7834(2) 0.11432(18) 0.10474(10) 0.0427(12) Uani 1 1 d . U .
C91 C 0.8523(2) 0.1538(2) 0.01201(14) 0.0754(18) Uani 1 1 d . U .
H91A H 0.8574 0.1801 -0.0027 0.113 Uiso 1 1 calc GR . .
H91B H 0.8395 0.1238 0.0023 0.113 Uiso 1 1 calc GR . .
H91C H 0.8841 0.1462 0.0216 0.113 Uiso 1 1 calc GR . .
C92 C 0.8269(2) 0.2166(2) 0.04651(11) 0.0509(13) Uani 1 1 d . U .
C93 C 0.8716(2) 0.2408(2) 0.04399(14) 0.0712(18) Uani 1 1 d . U .
H93 H 0.8982 0.2261 0.0333 0.085 Uiso 1 1 calc R . .
C94 C 0.8778(3) 0.2889(3) 0.05770(17) 0.089(2) Uani 1 1 d . U .
H94 H 0.9092 0.3052 0.0563 0.107 Uiso 1 1 calc R . .
C95 C 0.8392(3) 0.3120(3) 0.07286(15) 0.0775(19) Uani 1 1 d . U .
H95 H 0.8438 0.3440 0.0814 0.093 Uiso 1 1 calc R . .
C96 C 0.7922(2) 0.2871(2) 0.07537(11) 0.0551(14) Uani 1 1 d . U .
C97 C 0.7850(2) 0.2380(2) 0.06259(10) 0.0460(12) Uani 1 1 d . U .
C98 C 0.7544(2) 0.3134(2) 0.09245(11) 0.0548(14) Uani 1 1 d . U .
H98 H 0.7657 0.3417 0.1031 0.066 Uiso 1 1 calc R . .
C99 C 0.6760(2) 0.3327(2) 0.11440(11) 0.0535(14) Uani 1 1 d . U .
C100 C 0.6742(3) 0.3850(2) 0.11020(15) 0.0767(19) Uani 1 1 d . U .
H100 H 0.6933 0.4008 0.0952 0.092 Uiso 1 1 calc R . .
C101 C 0.6426(3) 0.4132(2) 0.12935(16) 0.090(2) Uani 1 1 d . U .
H101 H 0.6404 0.4483 0.1268 0.108 Uiso 1 1 calc R . .
C102 C 0.6147(3) 0.3904(3) 0.15168(16) 0.089(2) Uani 1 1 d . U .
H102 H 0.5945 0.4098 0.1645 0.107 Uiso 1 1 calc R . .
C103 C 0.6170(2) 0.3390(2) 0.15482(12) 0.0619(15) Uani 1 1 d . U .
H103 H 0.5981 0.3234 0.1700 0.074 Uiso 1 1 calc R . .
C104 C 0.6465(2) 0.30950(19) 0.13612(11) 0.0468(12) Uani 1 1 d . U .
C105 C 0.64675(19) 0.2526(2) 0.14101(10) 0.0447(12) Uani 1 1 d . U .
C106 C 0.6617(2) 0.01965(19) 0.04429(12) 0.0664(17) Uani 1 1 d . U .
H10A H 0.6516 -0.0023 0.0605 0.100 Uiso 1 1 calc GR . .
H10B H 0.6960 0.0118 0.0384 0.100 Uiso 1 1 calc GR . .
H10C H 0.6394 0.0147 0.0274 0.100 Uiso 1 1 calc GR . .
C107 C 0.6116(2) 0.09151(19) 0.06025(10) 0.0472(12) Uani 1 1 d . U .
C108 C 0.5670(2) 0.0633(2) 0.06259(12) 0.0563(14) Uani 1 1 d . U .
H108 H 0.5673 0.0285 0.0588 0.068 Uiso 1 1 calc R . .
C109 C 0.5222(2) 0.0876(2) 0.07067(12) 0.0649(16) Uani 1 1 d . U .
H109 H 0.4926 0.0687 0.0727 0.078 Uiso 1 1 calc R . .
C110 C 0.5209(2) 0.1387(2) 0.07562(11) 0.0545(14) Uani 1 1 d . U .
H110 H 0.4904 0.1544 0.0807 0.065 Uiso 1 1 calc R . .
C111 C 0.56519(19) 0.16737(19) 0.07303(10) 0.0443(12) Uani 1 1 d . U .
C112 C 0.6108(2) 0.14420(19) 0.06494(10) 0.0424(11) Uani 1 1 d . U .
C113 C 0.5587(2) 0.2221(2) 0.07292(10) 0.0476(12) Uani 1 1 d . U .
H113 H 0.5258 0.2340 0.0759 0.057 Uiso 1 1 calc R . .
C114 C 0.58181(19) 0.30792(19) 0.06458(10) 0.0443(12) Uani 1 1 d . U .
C115 C 0.5454(2) 0.3331(2) 0.08234(12) 0.0600(15) Uani 1 1 d . U .
H115 H 0.5284 0.3154 0.0974 0.072 Uiso 1 1 calc R . .
C116 C 0.5347(3) 0.3839(2) 0.07763(14) 0.080(2) Uani 1 1 d . U .
H116 H 0.5105 0.4002 0.0895 0.097 Uiso 1 1 calc R . .
C117 C 0.5597(3) 0.4102(2) 0.05559(14) 0.084(2) Uani 1 1 d . U .
H117 H 0.5531 0.4446 0.0527 0.101 Uiso 1 1 calc R . .
C118 C 0.5946(2) 0.3859(2) 0.03765(13) 0.0632(15) Uani 1 1 d . U .
H118 H 0.6104 0.4039 0.0223 0.076 Uiso 1 1 calc R . .
C119 C 0.60682(19) 0.33497(18) 0.04190(10) 0.0429(12) Uani 1 1 d . U .
C120 C 0.6462(2) 0.31099(18) 0.02174(10) 0.0418(12) Uani 1 1 d . U .
C121 C 0.7588(2) 0.0443(2) -0.01141(13) 0.0619(15) Uani 1 1 d . U .
C122 C 0.7738(3) 0.0638(3) -0.04143(14) 0.105(3) Uani 1 1 d . U .
H12A H 0.7518 0.0914 -0.0470 0.158 Uiso 1 1 calc GR . .
H12B H 0.7710 0.0371 -0.0560 0.158 Uiso 1 1 calc GR . .
H12C H 0.8083 0.0757 -0.0407 0.158 Uiso 1 1 calc GR . .
N0AA N 0.79044(15) -0.18481(16) 0.08319(8) 0.0417(10) Uani 1 1 d . U .
N2 N 0.76617(14) -0.06974(14) 0.11376(8) 0.0362(9) Uani 1 1 d . U .
N3 N 0.59785(17) -0.31449(16) 0.00723(8) 0.0459(10) Uani 1 1 d . U .
N4 N 0.71493(18) -0.32061(16) 0.03706(9) 0.0523(11) Uani 1 1 d . U .
N5 N 0.83048(16) 0.07533(16) 0.18021(8) 0.0434(10) Uani 1 1 d . U .
N6 N 0.82702(16) 0.18916(17) 0.14500(8) 0.0467(10) Uani 1 1 d . U .
N7 N 0.70651(18) 0.30303(15) 0.09496(9) 0.0495(11) Uani 1 1 d . U .
N8 N 0.59419(15) 0.25682(15) 0.06905(8) 0.0426(10) Uani 1 1 d . U .
N9 N 0.5319(2) -0.2515(2) 0.14367(11) 0.0686(14) Uani 1 1 d . U .
N10 N 0.5594(3) 0.1935(3) 0.20452(17) 0.0932(19) Uani 1 1 d . U .
O0AA O 0.67526(14) -0.27397(13) 0.16124(7) 0.0499(9) Uani 1 1 d . U .
O1AA O 0.70914(12) -0.21200(12) 0.12168(7) 0.0419(8) Uani 1 1 d . U .
O2AA O 0.70665(12) -0.12690(12) 0.06760(6) 0.0421(8) Uani 1 1 d . U .
O3AA O 0.70727(12) -0.11835(12) 0.01782(6) 0.0437(8) Uani 1 1 d . U .
O5 O 0.57604(12) -0.11526(13) 0.13863(7) 0.0485(8) Uani 1 1 d . U .
O6 O 0.67270(11) -0.12246(12) 0.12863(6) 0.0362(7) Uani 1 1 d . U .
O7 O 0.78793(12) -0.15335(12) 0.14773(6) 0.0410(8) Uani 1 1 d . U .
O8 O 0.85008(12) -0.13644(13) 0.17999(7) 0.0471(9) Uani 1 1 d . U .
O9 O 0.60204(14) -0.11888(13) -0.00944(7) 0.0521(9) Uani 1 1 d . U .
O10 O 0.62694(12) -0.21336(12) -0.00427(7) 0.0398(8) Uani 1 1 d . U .
O4AA O 0.68508(13) -0.31368(12) -0.02781(7) 0.0480(8) Uani 1 1 d . U .
O12 O 0.67433(13) -0.36925(13) -0.06443(7) 0.0492(9) Uani 1 1 d . U .
O13 O 0.78243(13) -0.16697(14) -0.02809(8) 0.0535(9) Uani 1 1 d . U .
O14 O 0.72391(13) -0.22612(12) 0.00448(7) 0.0442(8) Uani 1 1 d . U .
O15 O 0.63941(13) -0.25733(12) 0.05731(7) 0.0464(8) Uani 1 1 d . U .
O16 O 0.62242(13) -0.27254(13) 0.10519(7) 0.0488(9) Uani 1 1 d . U .
O17 O 0.63382(14) 0.07152(13) 0.20001(7) 0.0538(9) Uani 1 1 d . U .
O18 O 0.72564(12) 0.10306(12) 0.19109(7) 0.0443(8) Uani 1 1 d . U .
O19 O 0.82612(13) 0.16540(13) 0.21143(7) 0.0516(9) Uani 1 1 d . U .
O20 O 0.88552(12) 0.16637(13) 0.24692(7) 0.0476(9) Uani 1 1 d . U .
O21 O 0.69211(14) 0.25383(13) 0.21957(7) 0.0537(9) Uani 1 1 d . U .
O22 O 0.73890(12) 0.19937(12) 0.18150(7) 0.0438(8) Uani 1 1 d . U .
O23 O 0.75985(13) 0.11224(12) 0.12955(7) 0.0474(8) Uani 1 1 d . U .
O24 O 0.76195(13) 0.10278(12) 0.08032(7) 0.0465(8) Uani 1 1 d . U .
O25 O 0.81687(13) 0.17065(13) 0.03391(7) 0.0507(9) Uani 1 1 d . U .
O26 O 0.74323(13) 0.21160(12) 0.06511(7) 0.0430(8) Uani 1 1 d . U .
O27 O 0.65575(13) 0.22330(12) 0.11870(7) 0.0480(9) Uani 1 1 d . U .
O28 O 0.63776(13) 0.23692(13) 0.16682(7) 0.0487(9) Uani 1 1 d . U .
O29 O 0.65897(14) 0.07192(12) 0.05409(7) 0.0488(9) Uani 1 1 d . U .
O30 O 0.65532(12) 0.16869(11) 0.06059(6) 0.0415(8) Uani 1 1 d . U .
O31 O 0.67709(13) 0.27927(12) 0.03244(7) 0.0456(8) Uani 1 1 d . U .
O32 O 0.64632(14) 0.32412(14) -0.00492(7) 0.0577(10) Uani 1 1 d . U .
O33 O 0.76401(14) 0.07393(13) 0.01129(8) 0.0581(10) Uani 1 1 d . U .
O34 O 0.74243(16) -0.00024(15) -0.00895(9) 0.0717(12) Uani 1 1 d . U .
O35 O 0.56695(16) -0.25307(16) 0.16197(8) 0.0697(12) Uani 1 1 d . U .
O36 O 0.53630(14) -0.21746(16) 0.12336(9) 0.0691(11) Uani 1 1 d . U .
O37 O 0.49442(18) -0.27888(19) 0.14458(10) 0.0920(15) Uani 1 1 d . U .
O41 O 0.59233(17) 0.19724(18) 0.22388(11) 0.0825(13) Uani 1 1 d . U .
O42 O 0.52088(19) 0.2167(2) 0.20091(14) 0.119(2) Uani 1 1 d . U .
O43 O 0.57161(17) 0.15920(19) 0.18181(12) 0.0922(14) Uani 1 1 d . U .
O1W O 0.61344(12) -0.16867(13) 0.08366(6) 0.0448(8) Uani 1 1 d . U .
H1WA H 0.6145 -0.1940 0.0715 0.067 Uiso 1 1 d GR . .
H1WB H 0.6370 -0.1475 0.0790 0.067 Uiso 1 1 d GR . .
O2W O 0.70555(13) -0.07807(12) -0.04229(7) 0.0568(10) Uani 1 1 d . U .
H2WA H 0.7017 -0.0568 -0.0279 0.085 Uiso 1 1 d GR . .
H2WB H 0.7005 -0.0764 -0.0613 0.085 Uiso 1 1 d GR . .
O3W O 0.71069(13) -0.22724(13) -0.05728(7) 0.0528(9) Uani 1 1 d . U .
H3WA H 0.6888 -0.2307 -0.0716 0.079 Uiso 1 1 d GR . .
H3WB H 0.7122 -0.2552 -0.0472 0.079 Uiso 1 1 d GR . .
O4W O 0.65977(13) 0.13421(13) 0.14539(6) 0.0517(9) Uani 1 1 d . U .
H4WA H 0.6849 0.1139 0.1426 0.078 Uiso 1 1 d GR . .
H4WB H 0.6620 0.1591 0.1329 0.078 Uiso 1 1 d GR . .
O5W O 0.72814(13) 0.20410(12) 0.00307(7) 0.0466(8) Uani 1 1 d . U .
H5WA H 0.7339 0.2324 0.0125 0.070 Uiso 1 1 d GR . .
H5WB H 0.6993 0.2065 -0.0062 0.070 Uiso 1 1 d GR . .
O1 O 1.0470(4) 0.4529(4) 0.1105(2) 0.103(3) Uani 0.5 1 d . U P
O5AA O 1.0534(4) 0.4465(4) 0.1615(2) 0.099(3) Uani 0.5 1 d . U P
O6AA O 1.0985(4) 0.3988(4) 0.1299(2) 0.105(3) Uani 0.5 1 d . U P
N1AA N 1.0652(5) 0.4317(5) 0.1342(3) 0.098(4) Uani 0.5 1 d . U P
N1 N 1.0572(5) 0.2296(5) 0.1336(3) 0.110(5) Uani 0.5 1 d D U P
O2 O 1.0371(4) 0.2102(5) 0.1540(2) 0.129(5) Uani 0.5 1 d D U P
O3 O 1.0506(5) 0.2317(6) 0.1074(2) 0.161(6) Uani 0.5 1 d D U P
O4 O 1.1002(6) 0.2346(7) 0.1406(3) 0.202(7) Uani 0.5 1 d D U P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Co Co 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
N0AA Co1 N2 109.29(15) . .
N0AA Co1 O2AA 82.95(13) . .
N0AA Co1 O7 91.15(14) . .
N2 Co1 O2AA 90.68(13) . .
N2 Co1 O7 81.02(13) . .
O1AA Co1 N0AA 87.40(14) . .
O1AA Co1 N2 158.87(13) . .
O1AA Co1 O2AA 104.55(12) . .
O1AA Co1 O6 77.58(12) . .
O1AA Co1 O7 85.91(12) . .
O2AA Co1 O7 167.66(13) . .
O6 Co1 N0AA 158.86(14) . .
O6 Co1 N2 89.04(14) . .
O6 Co1 O2AA 86.48(12) . .
O6 Co1 O7 102.38(12) . .
N3 Co2 N4 107.98(18) . .
N3 Co2 O4AA 81.68(14) . .
N3 Co2 O15 87.65(14) . .
N4 Co2 O4AA 89.70(14) . .
N4 Co2 O15 81.81(14) . .
O10 Co2 N3 86.15(15) . .
O10 Co2 N4 164.10(15) . .
O10 Co2 O4AA 99.80(12) . .
O10 Co2 O15 91.77(12) . .
O14 Co2 N3 159.49(14) . .
O14 Co2 N4 88.91(16) . .
O14 Co2 O10 78.96(13) . .
O14 Co2 O4AA 87.01(13) . .
O14 Co2 O15 106.68(13) . .
O15 Co2 O4AA 163.64(13) . .
N5 Co3 N6 109.17(17) . .
N5 Co3 O19 82.34(14) . .
N5 Co3 O23 92.52(13) . .
N6 Co3 O19 92.50(14) . .
N6 Co3 O23 81.23(13) . .
O18 Co3 N5 89.01(15) . .
O18 Co3 N6 158.03(15) . .
O18 Co3 O19 102.36(13) . .
O18 Co3 O23 85.86(12) . .
O19 Co3 O23 170.16(13) . .
O22 Co3 N5 159.56(13) . .
O22 Co3 N6 87.12(16) . .
O22 Co3 O18 78.34(13) . .
O22 Co3 O19 84.75(12) . .
O22 Co3 O23 102.38(12) . .
N7 Co4 N8 108.39(17) . .
N7 Co4 O31 89.15(14) . .
N8 Co4 O31 82.58(14) . .
O26 Co4 N7 89.02(16) . .
O26 Co4 N8 159.49(14) . .
O26 Co4 O27 106.86(13) . .
O26 Co4 O31 87.05(12) . .
O27 Co4 N7 80.96(14) . .
O27 Co4 N8 87.04(14) . .
O27 Co4 O31 162.65(13) . .
O30 Co4 N7 162.60(16) . .
O30 Co4 N8 86.84(15) . .
O30 Co4 O26 77.90(13) . .
O30 Co4 O27 91.80(12) . .
O30 Co4 O31 101.42(12) . .
O0AA Dy1 N9 89.87(14) . .
O1AA Dy1 N9 141.31(13) . .
O1AA Dy1 O0AA 61.99(11) . .
O1AA Dy1 O5 129.83(11) . .
O1AA Dy1 O6 66.80(11) . .
O1AA Dy1 O12 104.10(11) . 4_655
O1AA Dy1 O16 76.30(11) . .
O1AA Dy1 O35 130.16(13) . .
O1AA Dy1 O36 145.43(12) . .
O1AA Dy1 O1W 86.32(11) . .
O5 Dy1 N9 87.91(14) . .
O5 Dy1 O0AA 150.43(10) . .
O6 Dy1 N9 151.20(14) . .
O6 Dy1 O0AA 115.92(10) . .
O6 Dy1 O5 63.37(10) . .
O6 Dy1 O16 130.59(10) . .
O6 Dy1 O35 153.24(12) . .
O6 Dy1 O36 129.96(12) . .
O6 Dy1 O1W 71.66(10) . .
O12 Dy1 N9 92.89(13) 4_655 .
O12 Dy1 O0AA 75.93(11) 4_655 .
O12 Dy1 O5 74.75(11) 4_655 .
O12 Dy1 O6 82.04(11) 4_655 .
O12 Dy1 O16 140.09(11) 4_655 .
O12 Dy1 O35 73.91(12) 4_655 .
O12 Dy1 O36 107.96(12) 4_655 .
O12 Dy1 O1W 145.22(11) 4_655 .
O16 Dy1 N9 68.68(13) . .
O16 Dy1 O0AA 69.23(11) . .
O16 Dy1 O5 135.92(11) . .
O16 Dy1 O35 76.17(12) . .
O16 Dy1 O36 70.94(13) . .
O16 Dy1 O1W 74.38(11) . .
O35 Dy1 N9 25.12(13) . .
O35 Dy1 O0AA 69.65(13) . .
O35 Dy1 O5 98.42(13) . .
O35 Dy1 O36 51.07(13) . .
O35 Dy1 O1W 124.14(12) . .
O36 Dy1 N9 26.30(13) . .
O36 Dy1 O0AA 114.06(13) . .
O36 Dy1 O5 72.18(12) . .
O1W Dy1 N9 99.28(13) . .
O1W Dy1 O0AA 136.03(10) . .
O1W Dy1 O5 73.30(10) . .
O1W Dy1 O36 74.68(12) . .
O3AA Dy2 O8 140.23(11) . 6_534
O3AA Dy2 O9 76.59(11) . .
O3AA Dy2 O10 96.54(11) . .
O3AA Dy2 O13 80.90(11) . .
O3AA Dy2 O14 77.90(11) . .
O3AA Dy2 O2W 76.91(11) . .
O3AA Dy2 O3W 144.36(11) . .
O8 Dy2 O9 72.45(11) 6_534 .
O8 Dy2 O13 121.17(11) 6_534 .
O10 Dy2 O8 91.40(11) . 6_534
O10 Dy2 O9 63.40(11) . .
O10 Dy2 O13 131.45(11) . .
O10 Dy2 O14 67.41(11) . .
O10 Dy2 O2W 146.26(12) . .
O10 Dy2 O3W 88.53(11) . .
O13 Dy2 O9 154.69(11) . .
O14 Dy2 O8 140.01(11) . 6_534
O14 Dy2 O9 120.50(11) . .
O14 Dy2 O13 64.66(11) . .
O2W Dy2 O8 75.11(11) . 6_534
O2W Dy2 O9 82.96(12) . .
O2W Dy2 O13 80.81(12) . .
O2W Dy2 O14 139.84(12) . .
O2W Dy2 O3W 116.21(12) . .
O3W Dy2 O8 74.47(11) . 6_534
O3W Dy2 O9 135.34(11) . .
O3W Dy2 O13 69.75(11) . .
O3W Dy2 O14 71.60(11) . .
O17 Dy3 N10 88.01(15) . .
O17 Dy3 O21 152.31(10) . .
O18 Dy3 N10 150.96(15) . .
O18 Dy3 O17 62.95(11) . .
O18 Dy3 O21 115.47(11) . .
O18 Dy3 O28 134.42(11) . .
O18 Dy3 O41 147.35(13) . .
O18 Dy3 O43 128.32(15) . .
O18 Dy3 O4W 72.34(11) . .
O21 Dy3 N10 89.98(17) . .
O22 Dy3 N10 140.90(15) . .
O22 Dy3 O17 130.15(12) . .
O22 Dy3 O18 67.77(11) . .
O22 Dy3 O21 60.68(11) . .
O22 Dy3 O28 77.24(11) . .
O22 Dy3 O41 133.33(14) . .
O22 Dy3 O43 143.75(13) . .
O22 Dy3 O4W 84.20(11) . .
O28 Dy3 N10 66.99(15) . .
O28 Dy3 O17 136.29(11) . .
O28 Dy3 O21 66.59(11) . .
O28 Dy3 O41 78.24(13) . .
O28 Dy3 O43 69.87(13) . .
O28 Dy3 O4W 76.02(11) . .
O32 Dy3 N10 94.37(18) 2_645 .
O32 Dy3 O17 76.39(12) 2_645 .
O32 Dy3 O18 79.45(12) 2_645 .
O32 Dy3 O21 76.24(11) 2_645 .
O32 Dy3 O22 102.05(12) 2_645 .
O32 Dy3 O28 137.68(12) 2_645 .
O32 Dy3 O41 72.12(15) 2_645 .
O32 Dy3 O43 112.37(15) 2_645 .
O32 Dy3 O4W 146.29(12) 2_645 .
O41 Dy3 N10 25.37(17) . .
O41 Dy3 O17 94.38(14) . .
O41 Dy3 O21 73.25(14) . .
O41 Dy3 O43 53.78(17) . .
O41 Dy3 O4W 126.69(15) . .
O43 Dy3 N10 29.46(17) . .
O43 Dy3 O17 71.25(14) . .
O43 Dy3 O21 116.20(15) . .
O4W Dy3 N10 101.33(19) . .
O4W Dy3 O17 74.58(11) . .
O4W Dy3 O21 132.72(11) . .
O4W Dy3 O43 73.64(16) . .
O20 Dy4 O25 129.13(11) 8_554 .
O20 Dy4 O29 67.81(10) 8_554 .
O24 Dy4 O20 141.92(11) . 8_554
O24 Dy4 O25 78.35(11) . .
O24 Dy4 O26 78.96(11) . .
O24 Dy4 O29 78.22(11) . .
O24 Dy4 O5W 144.27(11) . .
O26 Dy4 O20 133.91(11) . 8_554
O26 Dy4 O25 63.46(11) . .
O26 Dy4 O29 122.44(11) . .
O29 Dy4 O25 153.85(11) . .
O30 Dy4 O20 84.37(11) . 8_554
O30 Dy4 O24 96.09(11) . .
O30 Dy4 O25 130.31(11) . .
O30 Dy4 O26 66.99(11) . .
O30 Dy4 O29 63.92(11) . .
O30 Dy4 O5W 91.45(11) . .
O33 Dy4 O20 74.88(12) . 8_554
O33 Dy4 O24 88.18(12) . .
O33 Dy4 O25 78.88(12) . .
O33 Dy4 O26 141.87(12) . .
O33 Dy4 O29 88.94(13) . .
O33 Dy4 O30 150.78(12) . .
O33 Dy4 O5W 101.85(12) . .
O5W Dy4 O20 73.50(11) . 8_554
O5W Dy4 O25 70.32(11) . .
O5W Dy4 O26 72.04(11) . .
O5W Dy4 O29 135.38(11) . .
C5AA C4AA C7 120.5(5) . .
O0AA C4AA C5AA 127.7(5) . .
O0AA C4AA C7 111.7(5) . .
C4AA C5AA C6AA 120.4(6) . .
C5AA C6AA C5 120.6(6) . .
C6AA C5 C6 120.8(6) . .
C5 C6 C7 119.2(5) . .
C5 C6 C8 118.2(5) . .
C7 C6 C8 122.6(5) . .
C6 C7 C4AA 118.5(5) . .
O1AA C7 C4AA 117.1(5) . .
O1AA C7 C6 124.3(5) . .
N0AA C8 C6 125.9(5) . .
C10 C9 C14 120.4(5) . .
C10 C9 N0AA 122.2(5) . .
C14 C9 N0AA 117.2(5) . .
C0AA C10 C9 120.8(6) . .
C10 C0AA C12 119.2(6) . .
C13 C12 C0AA 120.2(6) . .
C12 C13 C14 123.5(5) . .
C9 C14 C15 123.0(4) . .
C13 C14 C9 115.9(5) . .
C13 C14 C15 121.1(4) . .
O2AA C15 C14 119.6(4) . .
O2AA C15 O3AA 123.8(4) . .
O3AA C15 C14 116.6(4) . .
C18 C17 C22 121.8(5) . .
C18 C17 O5 123.9(5) . .
O5 C17 C22 114.2(4) . .
C17 C18 C19 120.3(5) . .
C20 C19 C18 117.8(5) . .
C19 C20 C21 123.5(5) . .
C20 C21 C23 116.5(4) . .
C22 C21 C20 117.8(4) . .
C22 C21 C23 125.3(4) . .
C21 C22 C17 118.7(4) . .
O6 C22 C17 117.2(4) . .
O6 C22 C21 124.0(4) . .
N2 C23 C21 126.7(5) . .
C25 C24 C29 118.7(4) . .
C25 C24 N2 121.9(4) . .
N2 C24 C29 119.3(4) . .
C26 C25 C24 121.5(5) . .
C25 C26 C27 120.1(5) . .
C26 C27 C28 120.0(5) . .
C29 C28 C27 121.2(5) . .
C24 C29 C30 120.9(4) . .
C28 C29 C24 118.3(4) . .
C28 C29 C30 120.7(4) . .
O7 C30 C29 118.9(4) . .
O7 C30 O8 123.8(4) . .
O8 C30 C29 117.3(4) . .
C33 C32 C37 121.9(5) . .
C33 C32 O9 123.7(5) . .
O9 C32 C37 114.4(4) . .
C32 C33 C34 118.8(6) . .
C35 C34 C33 120.5(6) . .
C34 C35 C36 121.1(6) . .
C35 C36 C38 117.3(5) . .
C37 C36 C35 119.0(5) . .
C37 C36 C38 122.9(5) . .
C36 C37 C32 118.4(5) . .
O10 C37 C32 116.8(4) . .
O10 C37 C36 124.8(5) . .
N3 C38 C36 125.7(5) . .
C40 C39 N3 121.4(5) . .
C44 C39 C40 119.4(5) . .
C44 C39 N3 119.1(5) . .
C41 C40 C39 121.9(6) . .
C40 C41 C42 118.0(6) . .
C43 C42 C41 121.7(7) . .
C42 C43 C44 119.3(6) . .
C39 C44 C43 119.5(5) . .
C39 C44 C45 123.6(5) . .
C43 C44 C45 116.9(5) . .
O4AA C45 C44 118.4(4) . .
O4AA C45 O12 124.1(5) . .
O12 C45 C44 117.5(5) . .
C48 C2AA C52 118.9(6) . .
C48 C2AA O13 126.8(6) . .
O13 C2AA C52 114.3(5) . .
C49 C48 C2AA 122.9(7) . .
C48 C49 C50 119.9(6) . .
C51 C50 C49 121.6(6) . .
C50 C51 C52 116.6(6) . .
C53 C51 C50 117.7(6) . .
C53 C51 C52 125.6(5) . .
C51 C52 C2AA 120.0(5) . .
O14 C52 C2AA 116.9(5) . .
O14 C52 C51 123.2(5) . .
N4 C53 C51 126.6(5) . .
C55 C54 N4 121.0(5) . .
C59 C54 C55 119.6(5) . .
C59 C54 N4 119.4(5) . .
C56 C55 C54 120.9(7) . .
C57 C56 C55 118.8(6) . .
C58 C57 C56 119.7(6) . .
C57 C58 C59 124.6(6) . .
C54 C59 C60 123.0(5) . .
C58 C59 C54 116.1(6) . .
C58 C59 C60 120.9(5) . .
O15 C60 C59 122.1(4) . .
O15 C60 O16 120.9(5) . .
O16 C60 C59 116.9(4) . .
C63 C62 C67 120.7(5) . .
O17 C62 C63 125.9(5) . .
O17 C62 C67 113.5(5) . .
C64 C63 C62 121.0(6) . .
C65 C64 C63 120.3(5) . .
C64 C65 C66 121.0(6) . .
C65 C66 C67 118.9(5) . .
C65 C66 C68 116.3(5) . .
C67 C66 C68 124.4(5) . .
C62 C67 C66 118.1(5) . .
O18 C67 C62 118.3(5) . .
O18 C67 C66 123.6(5) . .
N5 C68 C66 125.9(5) . .
C70 C69 C74 120.8(5) . .
C70 C69 N5 120.6(5) . .
C74 C69 N5 118.5(4) . .
C69 C70 C71 118.9(5) . .
C72 C71 C70 123.8(6) . .
C71 C72 C73 115.4(6) . .
C74 C73 C72 123.0(5) . .
C69 C74 C75 123.5(5) . .
C73 C74 C69 118.0(5) . .
C73 C74 C75 118.5(4) . .
O19 C75 C74 117.6(4) . .
O20 C75 C74 118.6(4) . .
O20 C75 O19 123.8(4) . .
C78 C77 C82 121.2(5) . .
C78 C77 O21 126.0(5) . .
O21 C77 C82 112.8(5) . .
C77 C78 C79 119.2(6) . .
C80 C79 C78 120.9(6) . .
C79 C80 C81 119.8(6) . .
C80 C81 C83 116.6(5) . .
C82 C81 C80 121.3(5) . .
C82 C81 C83 122.1(5) . .
C81 C82 C77 117.6(5) . .
O22 C82 C77 117.0(5) . .
O22 C82 C81 125.4(5) . .
N6 C83 C81 127.1(5) . .
C85 C84 C89 119.7(5) . .
C85 C84 N6 121.6(5) . .
C89 C84 N6 118.7(5) . .
C84 C85 C86 118.9(6) . .
C87 C86 C85 121.2(6) . .
C88 C87 C86 119.3(6) . .
C87 C88 C89 122.4(5) . .
C84 C89 C90 121.8(5) . .
C88 C89 C84 118.4(5) . .
C88 C89 C90 119.8(5) . .
O23 C90 C89 120.6(4) . .
O24 C90 C89 117.9(4) . .
O24 C90 O23 121.4(5) . .
C93 C92 C97 122.0(6) . .
C93 C92 O25 124.0(5) . .
O25 C92 C97 114.0(5) . .
C92 C93 C94 119.4(6) . .
C95 C94 C93 121.7(6) . .
C94 C95 C96 119.2(6) . .
C95 C96 C97 120.6(6) . .
C95 C96 C98 115.3(5) . .
C97 C96 C98 124.1(5) . .
C96 C97 C92 117.1(5) . .
O26 C97 C92 119.0(5) . .
O26 C97 C96 124.0(5) . .
N7 C98 C96 128.3(5) . .
C100 C99 N7 118.9(5) . .
C104 C99 C100 120.8(5) . .
C104 C99 N7 120.2(5) . .
C99 C100 C101 117.5(6) . .
C102 C101 C100 121.7(6) . .
C103 C102 C101 119.0(6) . .
C102 C103 C104 121.6(6) . .
C99 C104 C105 122.4(5) . .
C103 C104 C99 119.3(5) . .
C103 C104 C105 118.3(5) . .
O27 C105 C104 119.1(4) . .
O28 C105 C104 117.4(4) . .
O28 C105 O27 123.5(5) . .
C108 C107 C112 120.3(5) . .
O29 C107 C108 125.3(5) . .
O29 C107 C112 114.4(5) . .
C109 C108 C107 119.1(6) . .
C110 C109 C108 121.3(5) . .
C109 C110 C111 120.0(6) . .
C110 C111 C113 116.1(5) . .
C112 C111 C110 120.3(5) . .
C112 C111 C113 122.4(5) . .
C111 C112 C107 119.0(5) . .
O30 C112 C107 115.9(5) . .
O30 C112 C111 125.1(5) . .
N8 C113 C111 127.3(5) . .
C119 C114 C115 119.0(5) . .
N8 C114 C115 122.1(5) . .
N8 C114 C119 118.8(4) . .
C116 C115 C114 120.6(5) . .
C117 C116 C115 120.0(6) . .
C116 C117 C118 120.0(6) . .
C117 C118 C119 121.7(5) . .
C114 C119 C120 122.6(4) . .
C118 C119 C114 118.6(5) . .
C118 C119 C120 118.8(4) . .
O31 C120 C119 119.8(4) . .
O32 C120 C119 117.1(5) . .
O32 C120 O31 123.1(5) . .
O33 C121 C122 117.9(6) . .
O34 C121 C122 119.6(5) . .
O34 C121 O33 122.5(6) . .
C8 N0AA Co1 125.9(3) . .
C8 N0AA C9 119.0(4) . .
C9 N0AA Co1 114.7(3) . .
C23 N2 Co1 123.2(3) . .
C23 N2 C24 120.6(4) . .
C24 N2 Co1 116.1(3) . .
C38 N3 Co2 124.4(4) . .
C38 N3 C39 118.3(5) . .
C39 N3 Co2 117.2(4) . .
C53 N4 Co2 124.5(4) . .
C53 N4 C54 119.6(5) . .
C54 N4 Co2 115.9(4) . .
C68 N5 Co3 125.0(4) . .
C68 N5 C69 118.0(4) . .
C69 N5 Co3 117.0(3) . .
C83 N6 Co3 125.0(4) . .
C83 N6 C84 119.3(4) . .
C84 N6 Co3 115.8(3) . .
C98 N7 Co4 123.5(4) . .
C98 N7 C99 119.3(5) . .
C99 N7 Co4 117.0(4) . .
C113 N8 Co4 122.4(4) . .
C113 N8 C114 121.4(4) . .
C114 N8 Co4 115.8(3) . .
O35 N9 Dy1 57.0(3) . .
O35 N9 O36 114.9(5) . .
O36 N9 Dy1 59.1(3) . .
O37 N9 Dy1 171.2(4) . .
O37 N9 O35 124.3(6) . .
O37 N9 O36 120.7(5) . .
O41 N10 Dy3 56.2(4) . .
O41 N10 O43 113.5(6) . .
O42 N10 Dy3 157.8(5) . .
O42 N10 O41 130.8(8) . .
O42 N10 O43 115.5(8) . .
O43 N10 Dy3 60.6(3) . .
C3AA O0AA Dy1 128.6(3) . .
C4AA O0AA Dy1 115.0(3) . .
C4AA O0AA C3AA 115.4(4) . .
Co1 O1AA Dy1 108.47(14) . .
C7 O1AA Co1 124.4(3) . .
C7 O1AA Dy1 126.6(3) . .
C15 O2AA Co1 125.7(3) . .
C15 O3AA Dy2 142.9(3) . .
C16 O5 Dy1 124.8(3) . .
C17 O5 Dy1 118.3(3) . .
C17 O5 C16 115.9(4) . .
Co1 O6 Dy1 105.36(13) . .
C22 O6 Co1 123.5(3) . .
C22 O6 Dy1 126.0(3) . .
C30 O7 Co1 130.2(3) . .
C30 O8 Dy2 137.8(3) . 4_655
C31 O9 Dy2 124.1(3) . .
C32 O9 Dy2 115.2(3) . .
C32 O9 C31 117.5(4) . .
Co2 O10 Dy2 107.13(14) . .
C37 O10 Co2 125.3(3) . .
C37 O10 Dy2 127.0(3) . .
C45 O4AA Co2 128.4(3) . .
C45 O12 Dy1 162.9(4) . 6_534
C1AA O13 Dy2 119.1(3) . .
C2AA O13 Dy2 118.9(3) . .
C2AA O13 C1AA 116.4(4) . .
Co2 O14 Dy2 104.44(14) . .
C52 O14 Co2 124.3(3) . .
C52 O14 Dy2 123.8(3) . .
C60 O15 Co2 126.5(3) . .
C60 O16 Dy1 137.5(3) . .
C61 O17 Dy3 125.9(3) . .
C62 O17 Dy3 118.1(3) . .
C62 O17 C61 116.0(4) . .
Co3 O18 Dy3 105.40(13) . .
C67 O18 Co3 124.0(3) . .
C67 O18 Dy3 126.7(3) . .
C75 O19 Co3 130.4(3) . .
C75 O20 Dy4 139.9(3) . 2_645
C76 O21 Dy3 125.7(4) . .
C77 O21 Dy3 113.4(3) . .
C77 O21 C76 118.7(4) . .
Co3 O22 Dy3 107.47(14) . .
C82 O22 Co3 123.0(3) . .
C82 O22 Dy3 128.7(3) . .
C90 O23 Co3 126.4(3) . .
C90 O24 Dy4 143.9(3) . .
C91 O25 Dy4 122.9(3) . .
C92 O25 Dy4 118.3(3) . .
C92 O25 C91 115.6(4) . .
Co4 O26 Dy4 103.63(13) . .
C97 O26 Co4 125.7(3) . .
C97 O26 Dy4 124.2(3) . .
C105 O27 Co4 130.1(3) . .
C105 O28 Dy3 135.5(3) . .
C106 O29 Dy4 120.5(3) . .
C107 O29 Dy4 115.9(3) . .
C107 O29 C106 117.5(4) . .
Co4 O30 Dy4 108.17(14) . .
C112 O30 Co4 126.0(3) . .
C112 O30 Dy4 125.9(3) . .
C120 O31 Co4 127.3(3) . .
C120 O32 Dy3 165.8(4) . 8_554
C121 O33 Dy4 143.2(4) . .
N9 O35 Dy1 97.9(3) . .
N9 O36 Dy1 94.6(3) . .
N10 O41 Dy3 98.5(5) . .
N10 O43 Dy3 90.0(4) . .
O1 N1AA O5AA 122.7(12) . .
O6AA N1AA O1 115.9(13) . .
O6AA N1AA O5AA 121.0(13) . .
O2 N1 O3 136.3(15) . .
O2 N1 O4 105.9(15) . .
O3 N1 O4 113.5(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N0AA 2.060(4) .
Co1 N2 2.080(4) .
Co1 O1AA 2.034(3) .
Co1 O2AA 2.115(3) .
Co1 O6 2.052(3) .
Co1 O7 2.117(3) .
Co2 N3 2.072(4) .
Co2 N4 2.075(4) .
Co2 O10 2.047(3) .
Co2 O4AA 2.164(3) .
Co2 O14 2.042(3) .
Co2 O15 2.112(3) .
Co3 N5 2.071(4) .
Co3 N6 2.073(4) .
Co3 O18 2.054(3) .
Co3 O19 2.100(3) .
Co3 O22 2.048(3) .
Co3 O23 2.181(3) .
Co4 N7 2.085(4) .
Co4 N8 2.099(4) .
Co4 O26 2.065(3) .
Co4 O27 2.073(3) .
Co4 O30 2.038(3) .
Co4 O31 2.116(3) .
Dy1 N9 2.870(5) .
Dy1 O0AA 2.638(3) .
Dy1 O1AA 2.291(3) .
Dy1 O5 2.555(3) .
Dy1 O6 2.358(3) .
Dy1 O12 2.329(3) 4_655
Dy1 O16 2.363(3) .
Dy1 O35 2.430(4) .
Dy1 O36 2.470(4) .
Dy1 O1W 2.438(3) .
Dy2 O3AA 2.273(3) .
Dy2 O8 2.406(3) 6_534
Dy2 O9 2.584(3) .
Dy2 O10 2.303(3) .
Dy2 O13 2.517(3) .
Dy2 O14 2.381(3) .
Dy2 O2W 2.343(3) .
Dy2 O3W 2.344(3) .
Dy3 N10 2.825(7) .
Dy3 O17 2.583(3) .
Dy3 O18 2.349(3) .
Dy3 O21 2.676(3) .
Dy3 O22 2.297(3) .
Dy3 O28 2.364(3) .
Dy3 O32 2.278(3) 2_645
Dy3 O41 2.372(4) .
Dy3 O43 2.461(4) .
Dy3 O4W 2.378(3) .
Dy4 O20 2.445(3) 8_554
Dy4 O24 2.300(3) .
Dy4 O25 2.572(3) .
Dy4 O26 2.386(3) .
Dy4 O29 2.537(3) .
Dy4 O30 2.285(3) .
Dy4 O33 2.238(3) .
Dy4 O5W 2.357(3) .
C3AA O0AA 1.421(6) .
C4AA C5AA 1.374(7) .
C4AA C7 1.436(7) .
C4AA O0AA 1.361(6) .
C5AA C6AA 1.385(8) .
C6AA C5 1.389(8) .
C5 C6 1.403(7) .
C6 C7 1.416(7) .
C6 C8 1.460(7) .
C7 O1AA 1.338(5) .
C8 N0AA 1.296(6) .
C9 C10 1.397(7) .
C9 C14 1.407(7) .
C9 N0AA 1.431(6) .
C10 C0AA 1.376(8) .
C0AA C12 1.381(8) .
C12 C13 1.342(7) .
C13 C14 1.405(7) .
C14 C15 1.510(6) .
C15 O2AA 1.249(5) .
C15 O3AA 1.269(5) .
C16 O5 1.415(6) .
C17 C18 1.347(6) .
C17 C22 1.413(6) .
C17 O5 1.379(6) .
C18 C19 1.428(7) .
C19 C20 1.352(7) .
C20 C21 1.411(6) .
C21 C22 1.402(6) .
C21 C23 1.441(6) .
C22 O6 1.325(5) .
C23 N2 1.272(5) .
C24 C25 1.393(6) .
C24 C29 1.432(6) .
C24 N2 1.425(6) .
C25 C26 1.366(7) .
C26 C27 1.370(7) .
C27 C28 1.398(7) .
C28 C29 1.376(6) .
C29 C30 1.520(6) .
C30 O7 1.254(5) .
C30 O8 1.261(5) .
C31 O9 1.389(6) .
C32 C33 1.357(7) .
C32 C37 1.414(7) .
C32 O9 1.383(6) .
C33 C34 1.391(8) .
C34 C35 1.356(8) .
C35 C36 1.405(7) .
C36 C37 1.376(7) .
C36 C38 1.461(7) .
C37 O10 1.315(5) .
C38 N3 1.298(6) .
C39 C40 1.393(7) .
C39 C44 1.385(7) .
C39 N3 1.397(6) .
C40 C41 1.358(8) .
C41 C42 1.395(10) .
C42 C43 1.376(9) .
C43 C44 1.395(7) .
C44 C45 1.512(7) .
C45 O4AA 1.243(5) .
C45 O12 1.253(5) .
C1AA O13 1.455(6) .
C2AA C48 1.368(8) .
C2AA C52 1.447(8) .
C2AA O13 1.381(6) .
C48 C49 1.334(8) .
C49 C50 1.415(9) .
C50 C51 1.415(8) .
C51 C52 1.425(7) .
C51 C53 1.402(8) .
C52 O14 1.343(6) .
C53 N4 1.302(7) .
C54 C55 1.414(8) .
C54 C59 1.385(7) .
C54 N4 1.433(7) .
C55 C56 1.376(9) .
C56 C57 1.356(9) .
C57 C58 1.354(8) .
C58 C59 1.376(7) .
C59 C60 1.466(7) .
C60 O15 1.265(5) .
C60 O16 1.273(5) .
C61 O17 1.446(6) .
C62 C63 1.393(7) .
C62 C67 1.397(7) .
C62 O17 1.392(6) .
C63 C64 1.372(8) .
C64 C65 1.365(7) .
C65 C66 1.414(7) .
C66 C67 1.438(7) .
C66 C68 1.454(7) .
C67 O18 1.329(5) .
C68 N5 1.262(6) .
C69 C70 1.365(7) .
C69 C74 1.415(7) .
C69 N5 1.423(6) .
C70 C71 1.407(8) .
C71 C72 1.368(8) .
C72 C73 1.429(7) .
C73 C74 1.386(7) .
C74 C75 1.513(6) .
C75 O19 1.274(5) .
C75 O20 1.241(5) .
C76 O21 1.413(6) .
C77 C78 1.380(7) .
C77 C82 1.390(7) .
C77 O21 1.387(6) .
C78 C79 1.387(8) .
C79 C80 1.338(8) .
C80 C81 1.398(7) .
C81 C82 1.378(7) .
C81 C83 1.458(8) .
C82 O22 1.324(6) .
C83 N6 1.274(6) .
C84 C85 1.359(7) .
C84 C89 1.421(7) .
C84 N6 1.426(6) .
C85 C86 1.413(8) .
C86 C87 1.362(8) .
C87 C88 1.338(7) .
C88 C89 1.380(7) .
C89 C90 1.498(7) .
C90 O23 1.264(5) .
C90 O24 1.259(5) .
C91 O25 1.418(6) .
C92 C93 1.340(7) .
C92 C97 1.427(7) .
C92 O25 1.357(6) .
C93 C94 1.413(9) .
C94 C95 1.362(9) .
C95 C96 1.403(8) .
C96 C97 1.423(7) .
C96 C98 1.429(8) .
C97 O26 1.304(6) .
C98 N7 1.293(6) .
C99 C100 1.390(7) .
C99 C104 1.378(7) .
C99 N7 1.413(7) .
C100 C101 1.401(9) .
C101 C102 1.371(9) .
C102 C103 1.359(8) .
C103 C104 1.376(7) .
C104 C105 1.512(7) .
C105 O27 1.276(5) .
C105 O28 1.240(5) .
C106 O29 1.443(6) .
C107 C108 1.390(7) .
C107 C112 1.401(7) .
C107 O29 1.376(6) .
C108 C109 1.388(8) .
C109 C110 1.359(7) .
C110 C111 1.392(7) .
C111 C112 1.391(7) .
C111 C113 1.448(7) .
C112 O30 1.350(5) .
C113 N8 1.317(6) .
C114 C115 1.405(7) .
C114 C119 1.397(6) .
C114 N8 1.396(6) .
C115 C116 1.381(7) .
C116 C117 1.367(8) .
C117 C118 1.373(8) .
C118 C119 1.389(7) .
C119 C120 1.506(7) .
C120 O31 1.257(5) .
C120 O32 1.233(5) .
C121 C122 1.482(8) .
C121 O33 1.282(6) .
C121 O34 1.251(7) .
N9 O35 1.230(6) .
N9 O36 1.276(6) .
N9 O37 1.219(6) .
N10 O41 1.224(7) .
N10 O42 1.193(7) .
N10 O43 1.389(8) .
O8 Dy2 2.406(3) 4_655
O12 Dy1 2.329(3) 6_534
O20 Dy4 2.445(3) 2_645
O32 Dy3 2.278(3) 8_554
O1 N1AA 1.284(14) .
O5AA N1AA 1.308(14) .
O6AA N1AA 1.246(14) .
N1 O2 1.167(12) .
N1 O3 1.176(12) .
N1 O4 1.183(14) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.006 -0.081 -0.090 7870 1382 ' '
2 0.500 0.000 -0.006 33 0 ' '
3 0.000 0.000 0.244 33 0 ' '
4 0.000 0.500 0.494 33 0 ' '
5 0.500 0.500 0.744 33 0 ' '
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.600(4)
2 0.400(4)
platon_squeeze_details
;
 ?
;
