#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/65/7036594.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_7036594
loop_
_publ_author_name
'Zou, Hua-Hong'
'Sheng, Liang-Bing'
'Liang, Fu-Pei'
'Chen, Zi-Lu'
'Zhang, Yi-Quan'
_publ_section_title
;
 Experimental and theoretical investigations of four 3d-4f butterfly
 single-molecule magnets.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18544
_journal_page_last               18552
_journal_paper_doi               10.1039/c5dt03368c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C82 H150 Co2 Dy4 N0 O44'
_chemical_formula_weight         2607.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-26 deposited with the CCDC.
2015-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                112.329(6)
_cell_angle_beta                 91.119(8)
_cell_angle_gamma                107.560(8)
_cell_formula_units_Z            1
_cell_length_a                   12.5549(17)
_cell_length_b                   14.5434(9)
_cell_length_c                   17.2581(12)
_cell_measurement_temperature    293(2)
_cell_volume                     2746.7(5)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 20-10-2014 CrysAlis171 .NET)
(compiled Oct 20 2014,15:11:02)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 20-10-2014 CrysAlis171 .NET)
(compiled Oct 20 2014,15:11:02)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 20-10-2014 CrysAlis171 .NET)
(compiled Oct 20 2014,15:11:02)
;
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'area detector'
_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  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0577
_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       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20223
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    3.061
_exptl_absorpt_correction_T_max  0.163
_exptl_absorpt_correction_T_min  0.112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-10-2014 CrysAlis171 .NET)
(compiled Oct 20 2014,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.551
_refine_diff_density_min         -1.646
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         9657
_refine_ls_number_restraints     1477
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0576P)²+11.2832P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1386
_reflns_number_gt                7809
_reflns_number_total             9657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03368c2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036592--7036595.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7036594
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.33690(3) 0.92092(3) 0.33074(2) 0.03522(12) Uani 1 1 d .
Dy2 Dy 0.33513(3) 0.92570(3) 0.09973(2) 0.03797(13) Uani 1 1 d .
O1 O 0.4770(5) 0.9177(4) 0.4323(3) 0.0384(10) Uani 1 1 d DU
H1E H 0.4921 0.8613 0.4215 0.046 Uiso 1 1 d RD
O3 O 0.4953(5) 1.0816(4) 0.4027(3) 0.0384(10) Uani 1 1 d U
O4 O 0.3890(5) 1.0078(4) 0.2413(3) 0.0443(10) Uani 1 1 d U
O5 O 0.3118(5) 0.9882(4) 0.4734(3) 0.0424(11) Uani 1 1 d U
O9 O 0.4070(6) 1.0941(5) 0.0892(4) 0.0562(13) Uani 1 1 d U
O11 O 0.2157(5) 1.0381(5) 0.3711(4) 0.0504(12) Uani 1 1 d U
O12 O 0.3035(5) 0.8098(4) 0.4982(3) 0.0492(12) Uani 1 1 d U
O14 O 0.6653(5) 1.0173(5) 0.3693(4) 0.0548(13) Uani 1 1 d U
O15 O 0.5228(5) 0.9418(4) 0.0717(4) 0.0523(14) Uani 1 1 d U
H15E H 0.5683 1.0032 0.1022 0.063 Uiso 1 1 d R
H15F H 0.5268 0.9295 0.0198 0.063 Uiso 1 1 d R
O16 O 0.2378(6) 1.0524(5) 0.1205(4) 0.0626(14) Uani 1 1 d U
O34 O 0.5523(8) 0.7503(6) 0.3936(5) 0.097(2) Uani 1 1 d U
O35 O 0.5720(8) 0.7511(6) 0.5218(5) 0.096(2) Uani 1 1 d U
H35 H 0.5515 0.8026 0.5338 0.144 Uiso 1 1 calc R
O36 O 0.2962(6) 0.8515(5) -0.0397(4) 0.0680(15) Uani 1 1 d U
O37 O 0.2986(7) 0.8858(6) -0.1526(4) 0.080(2) Uani 1 1 d U
O38 O 0.3603(6) 0.7820(4) 0.1117(4) 0.0565(13) Uani 1 1 d U
O39 O 0.4119(6) 0.8041(4) 0.2432(4) 0.0554(12) Uani 1 1 d U
O40 O 0.1518(6) 0.8319(5) 0.1026(4) 0.0690(15) Uani 1 1 d U
O41 O 0.1796(6) 0.8370(5) 0.2312(4) 0.0675(14) Uani 1 1 d U
O42 O 0.2425(5) 0.7752(4) 0.3645(4) 0.0565(13) Uani 1 1 d U
O43 O 0.0032(16) 0.7709(18) 0.6381(11) 0.271(8) Uani 1 1 d U
H43B H 0.0471 0.7398 0.6115 0.326 Uiso 1 1 d R
H43C H 0.0394 0.8215 0.6844 0.326 Uiso 1 1 d R
O44 O 0.1276(14) 0.9657(15) 0.7994(9) 0.228(7) Uani 1 1 d U
H44C H 0.1753 0.9437 0.8161 0.273 Uiso 1 1 d R
H44D H 0.0876 0.9825 0.8381 0.273 Uiso 1 1 d R
O45 O 0.0050(9) 0.9845(8) 0.0853(7) 0.140(3) Uani 1 1 d U
H45C H 0.0757 1.0113 0.1028 0.168 Uiso 1 1 d R
H45A H -0.0156 0.9176 0.0651 0.168 Uiso 1 1 d R
C1 C 0.2359(8) 1.0344(7) 0.5045(5) 0.0490(15) Uani 1 1 d U
C2 C 0.2059(8) 1.0527(7) 0.5843(6) 0.0525(17) Uani 1 1 d U
C3 C 0.1282(9) 1.1049(8) 0.6109(6) 0.065(2) Uani 1 1 d U
H3 H 0.1109 1.1202 0.6656 0.079 Uiso 1 1 calc R
C4 C 0.0766(9) 1.1343(8) 0.5579(6) 0.068(2) Uani 1 1 d U
H4 H 0.0242 1.1684 0.5763 0.081 Uiso 1 1 calc R
C5 C 0.1034(9) 1.1125(8) 0.4762(6) 0.0612(18) Uani 1 1 d U
H5 H 0.0679 1.1307 0.4392 0.073 Uiso 1 1 calc R
C6 C 0.1826(8) 1.0641(7) 0.4510(6) 0.0532(17) Uani 1 1 d U
C7 C 0.1661(9) 1.0693(8) 0.3132(6) 0.062(2) Uani 1 1 d U
H7A H 0.0864 1.0308 0.2985 0.094 Uiso 1 1 calc R
H7B H 0.2009 1.0544 0.2629 0.094 Uiso 1 1 calc R
H7C H 0.1779 1.1436 0.3397 0.094 Uiso 1 1 calc R
C8 C 0.1237(9) 0.7987(7) 0.1584(6) 0.0587(18) Uani 1 1 d U
C9 C 0.0147(10) 0.7066(8) 0.1366(7) 0.070(2) Uani 1 1 d U
C10 C -0.0516(12) 0.6768(11) 0.0582(9) 0.122(4) Uani 1 1 d U
H10A H -0.1028 0.6059 0.0404 0.182 Uiso 1 1 calc R
H10B H -0.0031 0.6806 0.0164 0.182 Uiso 1 1 calc R
H10C H -0.0939 0.7236 0.0647 0.182 Uiso 1 1 calc R
C11 C -0.0414(13) 0.7128(12) 0.2112(9) 0.122(4) Uani 1 1 d U
H11A H -0.0877 0.7564 0.2180 0.184 Uiso 1 1 calc R
H11B H 0.0146 0.7428 0.2607 0.184 Uiso 1 1 calc R
H11C H -0.0878 0.6433 0.2039 0.184 Uiso 1 1 calc R
C12 C 0.0609(13) 0.6131(11) 0.1240(10) 0.123(4) Uani 1 1 d U
H12A H 0.0985 0.6000 0.0750 0.185 Uiso 1 1 calc R
H12B H -0.0010 0.5508 0.1161 0.185 Uiso 1 1 calc R
H12C H 0.1133 0.6318 0.1731 0.185 Uiso 1 1 calc R
C13 C 0.2441(8) 0.7506(7) 0.4255(6) 0.0542(18) Uani 1 1 d U
C14 C 0.1711(9) 0.6424(7) 0.4181(6) 0.065(2) Uani 1 1 d U
C15 C 0.2011(12) 0.6178(9) 0.4881(8) 0.101(3) Uani 1 1 d U
H15A H 0.1892 0.6669 0.5401 0.151 Uiso 1 1 calc R
H15B H 0.2792 0.6227 0.4916 0.151 Uiso 1 1 calc R
H15C H 0.1547 0.5475 0.4787 0.151 Uiso 1 1 calc R
C16 C 0.0538(12) 0.6353(10) 0.4059(10) 0.107(4) Uani 1 1 d U
H16A H 0.0057 0.5669 0.3998 0.161 Uiso 1 1 calc R
H16B H 0.0385 0.6458 0.3557 0.161 Uiso 1 1 calc R
H16C H 0.0396 0.6885 0.4540 0.161 Uiso 1 1 calc R
C17 C 0.1811(13) 0.5604(9) 0.3354(8) 0.106(4) Uani 1 1 d U
H17A H 0.1272 0.4929 0.3262 0.159 Uiso 1 1 calc R
H17B H 0.2560 0.5566 0.3376 0.159 Uiso 1 1 calc R
H17C H 0.1663 0.5794 0.2898 0.159 Uiso 1 1 calc R
C18 C 0.2690(9) 0.8218(8) -0.1182(6) 0.063(2) Uani 1 1 d U
C19 C 0.1972(11) 0.7091(9) -0.1686(7) 0.081(3) Uani 1 1 d U
C20 C 0.2137(13) 0.6734(11) -0.2595(8) 0.118(4) Uani 1 1 d U
H20A H 0.1861 0.7117 -0.2851 0.176 Uiso 1 1 calc R
H20B H 0.1729 0.5993 -0.2888 0.176 Uiso 1 1 calc R
H20C H 0.2927 0.6862 -0.2630 0.176 Uiso 1 1 calc R
C21 C 0.0753(12) 0.7037(11) -0.1547(9) 0.119(4) Uani 1 1 d U
H21A H 0.0713 0.7293 -0.0951 0.179 Uiso 1 1 calc R
H21B H 0.0258 0.6319 -0.1824 0.179 Uiso 1 1 calc R
H21C H 0.0526 0.7464 -0.1781 0.179 Uiso 1 1 calc R
C22 C 0.2259(13) 0.6373(10) -0.1326(9) 0.110(4) Uani 1 1 d U
H22A H 0.3046 0.6454 -0.1330 0.166 Uiso 1 1 calc R
H22B H 0.1812 0.5653 -0.1668 0.166 Uiso 1 1 calc R
H22C H 0.2100 0.6559 -0.0756 0.166 Uiso 1 1 calc R
C23 C 0.3213(9) 1.1181(7) 0.1093(6) 0.0603(17) Uani 1 1 d U
C24 C 0.3158(10) 1.2257(8) 0.1218(7) 0.069(2) Uani 1 1 d U
C25 C 0.4352(13) 1.3037(10) 0.1473(10) 0.117(4) Uani 1 1 d U
H25A H 0.4744 1.2907 0.0991 0.176 Uiso 1 1 calc R
H25B H 0.4741 1.2956 0.1915 0.176 Uiso 1 1 calc R
H25C H 0.4327 1.3742 0.1674 0.176 Uiso 1 1 calc R
C26 C 0.2552(14) 1.2647(11) 0.1919(10) 0.120(4) Uani 1 1 d U
H26A H 0.1754 1.2287 0.1739 0.180 Uiso 1 1 calc R
H26B H 0.2713 1.3390 0.2090 0.180 Uiso 1 1 calc R
H26C H 0.2791 1.2518 0.2389 0.180 Uiso 1 1 calc R
C27 C 0.2788(14) 1.2197(10) 0.0391(9) 0.113(4) Uani 1 1 d U
H27A H 0.1987 1.1841 0.0240 0.169 Uiso 1 1 calc R
H27B H 0.3169 1.1814 -0.0024 0.169 Uiso 1 1 calc R
H27C H 0.2966 1.2897 0.0412 0.169 Uiso 1 1 calc R
C28 C 0.4685(7) 1.1116(6) 0.2791(5) 0.0449(14) Uani 1 1 d U
H28A H 0.4298 1.1613 0.3061 0.054 Uiso 1 1 calc R
H28B H 0.5055 1.1304 0.2358 0.054 Uiso 1 1 calc R
C29 C 0.5553(7) 1.1176(6) 0.3438(5) 0.0432(15) Uani 1 1 d U
H29 H 0.6060 1.1905 0.3736 0.052 Uiso 1 1 calc R
C30 C 0.6228(8) 1.0464(7) 0.3047(5) 0.0476(15) Uani 1 1 d U
H30A H 0.5755 0.9833 0.2576 0.057 Uiso 1 1 calc R
H30B H 0.6857 1.0823 0.2834 0.057 Uiso 1 1 calc R
C31 C 0.7435(8) 0.9768(7) 0.3573(5) 0.0495(17) Uani 1 1 d U
H31 H 0.7706 0.9651 0.3058 0.059 Uiso 1 1 calc R
C32 C 0.5619(12) 0.6987(10) 0.1518(9) 0.106(4) Uani 1 1 d U
H32A H 0.5844 0.7448 0.2108 0.159 Uiso 1 1 calc R
H32B H 0.5934 0.7367 0.1181 0.159 Uiso 1 1 calc R
H32C H 0.5889 0.6402 0.1397 0.159 Uiso 1 1 calc R
C33 C 0.4364(10) 0.6589(8) 0.1315(6) 0.066(2) Uani 1 1 d U
C34 C 0.3889(13) 0.5899(9) 0.1760(8) 0.098(3) Uani 1 1 d U
H34A H 0.4149 0.5304 0.1565 0.146 Uiso 1 1 calc R
H34B H 0.3079 0.5658 0.1645 0.146 Uiso 1 1 calc R
H34C H 0.4133 0.6289 0.2359 0.146 Uiso 1 1 calc R
C35 C 0.3961(13) 0.5958(9) 0.0370(8) 0.100(3) Uani 1 1 d U
H35A H 0.4050 0.5279 0.0204 0.150 Uiso 1 1 calc R
H35B H 0.4400 0.6328 0.0064 0.150 Uiso 1 1 calc R
H35C H 0.3179 0.5868 0.0246 0.150 Uiso 1 1 calc R
C36 C 0.3983(9) 0.7543(7) 0.1633(6) 0.0551(17) Uani 1 1 d U
C37 C 0.5755(12) 0.7102(9) 0.4393(8) 0.084(3) Uani 1 1 d U
C38 C 0.6132(14) 0.6128(10) 0.4102(9) 0.102(3) Uani 1 1 d U
C39 C 0.6956(14) 0.6188(11) 0.4793(10) 0.114(4) Uani 1 1 d U
H39A H 0.6758 0.6531 0.5337 0.172 Uiso 1 1 calc R
H39B H 0.7709 0.6582 0.4764 0.172 Uiso 1 1 calc R
H39C H 0.6920 0.5488 0.4712 0.172 Uiso 1 1 calc R
C40 C 0.5074(14) 0.5229(11) 0.3905(10) 0.127(4) Uani 1 1 d U
H40A H 0.5250 0.4591 0.3762 0.190 Uiso 1 1 calc R
H40B H 0.4597 0.5170 0.3435 0.190 Uiso 1 1 calc R
H40C H 0.4690 0.5342 0.4391 0.190 Uiso 1 1 calc R
C41 C 0.6689(15) 0.6058(12) 0.3309(10) 0.127(4) Uani 1 1 d U
H41A H 0.7057 0.5539 0.3182 0.191 Uiso 1 1 calc R
H41B H 0.7236 0.6731 0.3409 0.191 Uiso 1 1 calc R
H41C H 0.6122 0.5860 0.2840 0.191 Uiso 1 1 calc R
Co5 Co 0.59443(8) 1.05080(7) 0.46659(6) 0.0328(2) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O39 Dy1 O41 86.6(2) . .
O39 Dy1 O4 84.0(2) . .
O41 Dy1 O4 80.4(2) . .
O39 Dy1 O5 139.22(19) . .
O41 Dy1 O5 117.6(2) . .
O4 Dy1 O5 129.71(18) . .
O39 Dy1 O42 82.4(2) . .
O41 Dy1 O42 78.3(2) . .
O4 Dy1 O42 155.30(19) . .
O5 Dy1 O42 72.20(19) . .
O39 Dy1 O3 105.2(2) . .
O41 Dy1 O3 146.3(2) . .
O4 Dy1 O3 69.94(18) . .
O5 Dy1 O3 73.45(18) . .
O42 Dy1 O3 133.76(18) . .
O39 Dy1 O1 78.42(19) . .
O41 Dy1 O1 150.3(2) . .
O4 Dy1 O1 122.58(19) . .
O5 Dy1 O1 64.48(17) . .
O42 Dy1 O1 74.47(19) . .
O3 Dy1 O1 63.17(16) . .
O39 Dy1 O11 156.9(2) . .
O41 Dy1 O11 73.9(2) . .
O4 Dy1 O11 80.85(19) . .
O5 Dy1 O11 63.00(18) . .
O42 Dy1 O11 104.9(2) . .
O3 Dy1 O11 85.72(18) . .
O1 Dy1 O11 124.49(17) . .
O39 Dy1 Co5 107.96(15) . 2_676
O41 Dy1 Co5 136.01(19) . 2_676
O4 Dy1 Co5 140.81(14) . 2_676
O5 Dy1 Co5 31.87(13) . 2_676
O42 Dy1 Co5 63.53(14) . 2_676
O3 Dy1 Co5 70.90(11) . 2_676
O1 Dy1 Co5 33.81(12) . 2_676
O11 Dy1 Co5 94.72(13) . 2_676
O39 Dy1 Co5 89.53(17) . .
O41 Dy1 Co5 174.08(19) . .
O4 Dy1 Co5 94.76(14) . .
O5 Dy1 Co5 68.15(14) . .
O42 Dy1 Co5 105.63(14) . .
O3 Dy1 Co5 31.43(11) . .
O1 Dy1 Co5 31.99(12) . .
O11 Dy1 Co5 108.87(14) . .
Co5 Dy1 Co5 49.64(3) 2_676 .
O36 Dy2 O4 175.5(2) . .
O36 Dy2 O38 94.7(2) . .
O4 Dy2 O38 85.94(19) . .
O36 Dy2 O40 87.8(3) . .
O4 Dy2 O40 96.7(2) . .
O38 Dy2 O40 79.4(2) . .
O36 Dy2 O15 82.5(2) . .
O4 Dy2 O15 93.3(2) . .
O38 Dy2 O15 77.1(2) . .
O40 Dy2 O15 153.8(2) . .
O36 Dy2 O9 87.7(2) . .
O4 Dy2 O9 89.6(2) . .
O38 Dy2 O9 151.7(2) . .
O40 Dy2 O9 128.9(2) . .
O15 Dy2 O9 75.2(2) . .
O36 Dy2 O16 96.5(2) . .
O4 Dy2 O16 84.8(2) . .
O38 Dy2 O16 153.4(2) . .
O40 Dy2 O16 77.0(2) . .
O15 Dy2 O16 128.2(2) . .
O9 Dy2 O16 53.1(2) . .
O36 Dy2 C23 93.3(3) . .
O4 Dy2 C23 85.9(2) . .
O38 Dy2 C23 171.6(3) . .
O40 Dy2 C23 103.4(3) . .
O15 Dy2 C23 101.5(3) . .
O9 Dy2 C23 26.4(3) . .
O16 Dy2 C23 26.8(3) . .
H1E O1 Co5 121.2 . .
H1E O1 Co5 109.6 . 2_676
Co5 O1 Co5 97.9(2) . 2_676
H1E O1 Dy1 119.1 . .
Co5 O1 Dy1 104.5(2) . .
Co5 O1 Dy1 100.8(2) 2_676 .
H1E O1 H1E 0.0 . .
Co5 O1 H1E 121.2 . .
Co5 O1 H1E 109.6 2_676 .
Dy1 O1 H1E 119.1 . .
C29 O3 Co5 109.1(5) . .
C29 O3 Dy1 111.7(4) . .
Co5 O3 Dy1 107.0(2) . .
C28 O4 Dy2 121.0(4) . .
C28 O4 Dy1 116.3(4) . .
Dy2 O4 Dy1 122.2(2) . .
C1 O5 Co5 126.2(5) . 2_676
C1 O5 Dy1 126.1(5) . .
Co5 O5 Dy1 107.2(2) 2_676 .
C23 O9 Dy2 94.0(6) . .
C6 O11 C7 116.8(7) . .
C6 O11 Dy1 118.4(5) . .
C7 O11 Dy1 124.3(5) . .
C13 O12 Co5 127.4(5) . 2_676
C31 O14 C30 120.8(7) . .
C31 O14 Co5 126.7(6) . .
C30 O14 Co5 112.5(5) . .
Dy2 O15 H15E 111.0 . .
Dy2 O15 H15F 110.9 . .
H15E O15 H15F 109.1 . .
C23 O16 Dy2 93.2(6) . .
C37 O35 H35 109.5 . .
C18 O36 Dy2 170.6(7) . .
C36 O38 Dy2 142.0(6) . .
C36 O39 Dy1 133.7(6) . .
C8 O40 Dy2 123.6(6) . .
C8 O41 Dy1 156.4(7) . .
C13 O42 Dy1 137.8(6) . .
H43B O43 H43C 110.1 . .
H44C O44 H44D 108.5 . .
H45C O45 H45A 110.4 . .
O5 C1 C2 124.8(8) . .
O5 C1 C6 116.5(7) . .
C2 C1 C6 118.7(8) . .
C1 C2 C3 119.6(9) . .
C1 C2 C31 121.8(8) . 2_676
C3 C2 C31 118.6(8) . 2_676
C4 C3 C2 121.3(9) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C3 C4 C5 119.4(10) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
C6 C5 C4 119.4(9) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C5 C6 C1 121.7(9) . .
C5 C6 O11 124.4(8) . .
C1 C6 O11 113.9(7) . .
O11 C7 H7A 109.5 . .
O11 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
O11 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O40 C8 O41 124.1(9) . .
O40 C8 C9 117.4(9) . .
O41 C8 C9 118.5(9) . .
C10 C9 C11 118.9(13) . .
C10 C9 C8 115.4(10) . .
C11 C9 C8 111.3(9) . .
C10 C9 C12 105.3(11) . .
C11 C9 C12 101.5(11) . .
C8 C9 C12 101.5(10) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O42 C13 O12 125.4(8) . .
O42 C13 C14 120.5(8) . .
O12 C13 C14 114.1(7) . .
C16 C14 C15 114.2(11) . .
C16 C14 C17 102.6(10) . .
C15 C14 C17 109.7(11) . .
C16 C14 C13 107.8(9) . .
C15 C14 C13 113.2(8) . .
C17 C14 C13 108.8(9) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C14 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C14 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O37 C18 O36 120.7(9) . .
O37 C18 C19 121.2(9) . .
O36 C18 C19 118.0(9) . .
C20 C19 C18 111.3(10) . .
C20 C19 C22 108.6(12) . .
C18 C19 C22 110.5(10) . .
C20 C19 C21 114.0(11) . .
C18 C19 C21 105.7(10) . .
C22 C19 C21 106.5(11) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O9 C23 O16 119.6(8) . .
O9 C23 C24 121.2(9) . .
O16 C23 C24 119.3(10) . .
O9 C23 Dy2 59.7(5) . .
O16 C23 Dy2 60.0(5) . .
C24 C23 Dy2 175.7(7) . .
C27 C24 C26 118.9(12) . .
C27 C24 C25 104.4(11) . .
C26 C24 C25 105.9(11) . .
C27 C24 C23 107.4(9) . .
C26 C24 C23 111.4(10) . .
C25 C24 C23 108.3(10) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C24 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C24 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O4 C28 C29 109.9(6) . .
O4 C28 H28A 109.7 . .
C29 C28 H28A 109.7 . .
O4 C28 H28B 109.7 . .
C29 C28 H28B 109.7 . .
H28A C28 H28B 108.2 . .
O3 C29 C30 107.3(6) . .
O3 C29 C28 107.3(7) . .
C30 C29 C28 112.2(7) . .
O3 C29 H29 110.0 . .
C30 C29 H29 110.0 . .
C28 C29 H29 110.0 . .
O14 C30 C29 109.3(6) . .
O14 C30 H30A 109.8 . .
C29 C30 H30A 109.8 . .
O14 C30 H30B 109.8 . .
C29 C30 H30B 109.8 . .
H30A C30 H30B 108.3 . .
O14 C31 C2 126.3(8) . 2_676
O14 C31 H31 116.9 . .
C2 C31 H31 116.9 2_676 .
C33 C32 H32A 109.5 . .
C33 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C33 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 C32 109.2(11) . .
C34 C33 C36 109.9(9) . .
C32 C33 C36 106.9(9) . .
C34 C33 C35 108.5(10) . .
C32 C33 C35 111.8(11) . .
C36 C33 C35 110.5(9) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O38 C36 O39 124.0(8) . .
O38 C36 C33 119.9(8) . .
O39 C36 C33 116.1(8) . .
O34 C37 O35 121.1(11) . .
O34 C37 C38 125.3(12) . .
O35 C37 C38 113.6(11) . .
C40 C38 C39 111.0(13) . .
C40 C38 C37 104.6(13) . .
C39 C38 C37 111.4(11) . .
C40 C38 C41 111.2(12) . .
C39 C38 C41 110.1(14) . .
C37 C38 C41 108.4(12) . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C38 C41 H41A 109.5 . .
C38 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C38 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O14 Co5 O5 93.8(3) . 2_676
O14 Co5 O12 86.5(3) . 2_676
O5 Co5 O12 93.5(2) 2_676 2_676
O14 Co5 O3 85.5(2) . .
O5 Co5 O3 176.7(2) 2_676 .
O12 Co5 O3 89.7(2) 2_676 .
O14 Co5 O1 97.3(2) . .
O5 Co5 O1 92.2(2) 2_676 .
O12 Co5 O1 172.9(2) 2_676 .
O3 Co5 O1 84.7(2) . .
O14 Co5 O1 178.2(2) . 2_676
O5 Co5 O1 84.5(2) 2_676 2_676
O12 Co5 O1 94.2(2) 2_676 2_676
O3 Co5 O1 96.1(2) . 2_676
O1 Co5 O1 82.1(2) . 2_676
O14 Co5 Co5 138.69(19) . 2_676
O5 Co5 Co5 87.81(17) 2_676 2_676
O12 Co5 Co5 134.61(19) 2_676 2_676
O3 Co5 Co5 90.57(16) . 2_676
O1 Co5 Co5 41.45(15) . 2_676
O1 Co5 Co5 40.66(15) 2_676 2_676
O14 Co5 Dy1 133.2(2) . 2_676
O5 Co5 Dy1 40.89(15) 2_676 2_676
O12 Co5 Dy1 85.67(16) 2_676 2_676
O3 Co5 Dy1 140.48(16) . 2_676
O1 Co5 Dy1 95.94(15) . 2_676
O1 Co5 Dy1 45.39(15) 2_676 2_676
Co5 Co5 Dy1 66.35(4) 2_676 2_676
O14 Co5 Dy1 87.3(2) . .
O5 Co5 Dy1 135.23(17) 2_676 .
O12 Co5 Dy1 131.17(17) 2_676 .
O3 Co5 Dy1 41.53(15) . .
O1 Co5 Dy1 43.52(15) . .
O1 Co5 Dy1 93.33(16) 2_676 .
Co5 Co5 Dy1 64.01(4) 2_676 .
Dy1 Co5 Dy1 130.36(3) 2_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O39 2.264(6) .
Dy1 O41 2.272(6) .
Dy1 O4 2.330(5) .
Dy1 O5 2.347(5) .
Dy1 O42 2.384(5) .
Dy1 O3 2.419(5) .
Dy1 O1 2.481(5) .
Dy1 O11 2.532(6) .
Dy1 Co5 3.4238(10) 2_676
Dy1 Co5 3.4889(12) .
Dy2 O36 2.203(6) .
Dy2 O4 2.254(5) .
Dy2 O38 2.288(5) .
Dy2 O40 2.307(7) .
Dy2 O15 2.375(6) .
Dy2 O9 2.421(6) .
Dy2 O16 2.427(6) .
Dy2 C23 2.798(9) .
O1 H1E 0.8500 .
O1 Co5 1.909(5) .
O1 Co5 1.940(5) 2_676
O1 H1E 0.8500 .
O3 C29 1.440(9) .
O3 Co5 1.903(5) .
O4 C28 1.421(9) .
O5 C1 1.334(10) .
O5 Co5 1.893(5) 2_676
O9 C23 1.245(12) .
O11 C6 1.392(10) .
O11 C7 1.443(10) .
O12 C13 1.276(10) .
O12 Co5 1.894(5) 2_676
O14 C31 1.272(10) .
O14 C30 1.475(10) .
O14 Co5 1.884(6) .
O15 H15E 0.8501 .
O15 H15F 0.8501 .
O16 C23 1.262(12) .
O34 C37 1.221(13) .
O35 C37 1.325(14) .
O35 H35 0.8200 .
O36 C18 1.261(11) .
O37 C18 1.255(11) .
O38 C36 1.246(10) .
O39 C36 1.270(10) .
O40 C8 1.245(11) .
O41 C8 1.257(11) .
O42 C13 1.236(10) .
O43 H43B 0.8501 .
O43 H43C 0.8500 .
O44 H44C 0.8500 .
O44 H44D 0.8501 .
O45 H45C 0.8500 .
O45 H45A 0.8501 .
C1 C2 1.383(12) .
C1 C6 1.392(12) .
C2 C3 1.393(12) .
C2 C31 1.439(12) 2_676
C3 C4 1.370(14) .
C3 H3 0.9300 .
C4 C5 1.395(13) .
C4 H4 0.9300 .
C5 C6 1.371(12) .
C5 H5 0.9300 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.516(13) .
C9 C10 1.415(16) .
C9 C11 1.466(16) .
C9 C12 1.576(18) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.518(12) .
C14 C16 1.450(17) .
C14 C15 1.456(14) .
C14 C17 1.510(16) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.500(14) .
C19 C20 1.494(16) .
C19 C22 1.522(18) .
C19 C21 1.536(19) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.521(13) .
C24 C27 1.454(16) .
C24 C26 1.462(17) .
C24 C25 1.515(18) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.504(11) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.505(11) .
C29 H29 0.9800 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C2 1.439(12) 2_676
C31 H31 0.9300 .
C32 C33 1.488(17) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.481(16) .
C33 C36 1.513(12) .
C33 C35 1.519(15) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C37 C38 1.535(16) .
C38 C40 1.48(2) .
C38 C39 1.522(18) .
C38 C41 1.53(2) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
Co5 O5 1.893(5) 2_676
Co5 O12 1.894(5) 2_676
Co5 O1 1.940(5) 2_676
Co5 Co5 2.902(2) 2_676
Co5 Dy1 3.4238(10) 2_676
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
O39 Dy1 O1 H1E -30.9 . .
O41 Dy1 O1 H1E 30.3 . .
O4 Dy1 O1 H1E -105.9 . .
O5 Dy1 O1 H1E 131.7 . .
O42 Dy1 O1 H1E 54.4 . .
O3 Dy1 O1 H1E -144.7 . .
O11 Dy1 O1 H1E 152.0 . .
Co5 Dy1 O1 H1E 119.8 2_676 .
Co5 Dy1 O1 H1E -139.1 . .
O39 Dy1 O1 Co5 108.2(3) . .
O41 Dy1 O1 Co5 169.4(4) . .
O4 Dy1 O1 Co5 33.2(3) . .
O5 Dy1 O1 Co5 -89.2(2) . .
O42 Dy1 O1 Co5 -166.5(3) . .
O3 Dy1 O1 Co5 -5.64(19) . .
O11 Dy1 O1 Co5 -69.0(3) . .
Co5 Dy1 O1 Co5 -101.2(3) 2_676 .
O39 Dy1 O1 Co5 -150.7(3) . 2_676
O41 Dy1 O1 Co5 -89.5(5) . 2_676
O4 Dy1 O1 Co5 134.3(2) . 2_676
O5 Dy1 O1 Co5 11.97(18) . 2_676
O42 Dy1 O1 Co5 -65.4(2) . 2_676
O3 Dy1 O1 Co5 95.5(2) . 2_676
O11 Dy1 O1 Co5 32.2(3) . 2_676
Co5 Dy1 O1 Co5 101.2(3) . 2_676
O39 Dy1 O3 C29 56.9(5) . .
O41 Dy1 O3 C29 -50.4(6) . .
O4 Dy1 O3 C29 -20.6(4) . .
O5 Dy1 O3 C29 -165.5(5) . .
O42 Dy1 O3 C29 151.0(5) . .
O1 Dy1 O3 C29 125.2(5) . .
O11 Dy1 O3 C29 -102.5(5) . .
Co5 Dy1 O3 C29 161.0(5) 2_676 .
Co5 Dy1 O3 C29 119.4(5) . .
O39 Dy1 O3 Co5 -62.5(3) . .
O41 Dy1 O3 Co5 -169.8(3) . .
O4 Dy1 O3 Co5 -140.1(3) . .
O5 Dy1 O3 Co5 75.0(2) . .
O42 Dy1 O3 Co5 31.6(4) . .
O1 Dy1 O3 Co5 5.73(19) . .
O11 Dy1 O3 Co5 138.1(2) . .
Co5 Dy1 O3 Co5 41.61(17) 2_676 .
O36 Dy2 O4 C28 37(3) . .
O38 Dy2 O4 C28 134.5(6) . .
O40 Dy2 O4 C28 -146.7(5) . .
O15 Dy2 O4 C28 57.6(5) . .
O9 Dy2 O4 C28 -17.5(5) . .
O16 Dy2 O4 C28 -70.5(5) . .
C23 Dy2 O4 C28 -43.6(6) . .
O36 Dy2 O4 Dy1 -135(3) . .
O38 Dy2 O4 Dy1 -37.4(3) . .
O40 Dy2 O4 Dy1 41.5(3) . .
O15 Dy2 O4 Dy1 -114.2(3) . .
O9 Dy2 O4 Dy1 170.6(3) . .
O16 Dy2 O4 Dy1 117.7(3) . .
C23 Dy2 O4 Dy1 144.5(3) . .
O39 Dy1 O4 C28 -118.6(5) . .
O41 Dy1 O4 C28 153.8(5) . .
O5 Dy1 O4 C28 35.8(6) . .
O42 Dy1 O4 C28 -175.5(5) . .
O3 Dy1 O4 C28 -10.0(5) . .
O1 Dy1 O4 C28 -46.5(5) . .
O11 Dy1 O4 C28 78.8(5) . .
Co5 Dy1 O4 C28 -7.4(6) 2_676 .
Co5 Dy1 O4 C28 -29.6(5) . .
O39 Dy1 O4 Dy2 53.6(3) . .
O41 Dy1 O4 Dy2 -34.0(3) . .
O5 Dy1 O4 Dy2 -152.0(2) . .
O42 Dy1 O4 Dy2 -3.3(7) . .
O3 Dy1 O4 Dy2 162.2(3) . .
O1 Dy1 O4 Dy2 125.7(3) . .
O11 Dy1 O4 Dy2 -109.0(3) . .
Co5 Dy1 O4 Dy2 164.73(11) 2_676 .
Co5 Dy1 O4 Dy2 142.6(2) . .
O39 Dy1 O5 C1 -158.9(6) . .
O41 Dy1 O5 C1 -38.7(7) . .
O4 Dy1 O5 C1 62.2(7) . .
O42 Dy1 O5 C1 -104.6(7) . .
O3 Dy1 O5 C1 106.8(6) . .
O1 Dy1 O5 C1 174.5(7) . .
O11 Dy1 O5 C1 13.1(6) . .
Co5 Dy1 O5 C1 -172.9(8) 2_676 .
Co5 Dy1 O5 C1 139.7(6) . .
O39 Dy1 O5 Co5 14.0(4) . 2_676
O41 Dy1 O5 Co5 134.2(3) . 2_676
O4 Dy1 O5 Co5 -124.9(3) . 2_676
O42 Dy1 O5 Co5 68.3(3) . 2_676
O3 Dy1 O5 Co5 -80.3(2) . 2_676
O1 Dy1 O5 Co5 -12.6(2) . 2_676
O11 Dy1 O5 Co5 -174.0(3) . 2_676
Co5 Dy1 O5 Co5 -47.43(19) . 2_676
O36 Dy2 O9 C23 102.2(6) . .
O4 Dy2 O9 C23 -81.4(6) . .
O38 Dy2 O9 C23 -162.1(6) . .
O40 Dy2 O9 C23 16.9(7) . .
O15 Dy2 O9 C23 -174.9(6) . .
O16 Dy2 O9 C23 2.4(5) . .
O39 Dy1 O11 C6 155.5(6) . .
O41 Dy1 O11 C6 122.3(6) . .
O4 Dy1 O11 C6 -155.1(6) . .
O5 Dy1 O11 C6 -11.2(6) . .
O42 Dy1 O11 C6 49.5(6) . .
O3 Dy1 O11 C6 -84.7(6) . .
O1 Dy1 O11 C6 -31.7(7) . .
Co5 Dy1 O11 C6 -14.3(6) 2_676 .
Co5 Dy1 O11 C6 -63.2(6) . .
O39 Dy1 O11 C7 -16.2(10) . .
O41 Dy1 O11 C7 -49.4(7) . .
O4 Dy1 O11 C7 33.2(7) . .
O5 Dy1 O11 C7 177.1(7) . .
O42 Dy1 O11 C7 -122.2(7) . .
O3 Dy1 O11 C7 103.5(7) . .
O1 Dy1 O11 C7 156.6(6) . .
Co5 Dy1 O11 C7 173.9(6) 2_676 .
Co5 Dy1 O11 C7 125.1(6) . .
O36 Dy2 O16 C23 -84.5(6) . .
O4 Dy2 O16 C23 91.1(6) . .
O38 Dy2 O16 C23 161.2(6) . .
O40 Dy2 O16 C23 -170.8(6) . .
O15 Dy2 O16 C23 1.0(7) . .
O9 Dy2 O16 C23 -2.3(5) . .
O4 Dy2 O36 C18 -93(5) . .
O38 Dy2 O36 C18 169(4) . .
O40 Dy2 O36 C18 90(4) . .
O15 Dy2 O36 C18 -114(4) . .
O9 Dy2 O36 C18 -39(4) . .
O16 Dy2 O36 C18 13(4) . .
C23 Dy2 O36 C18 -13(4) . .
O36 Dy2 O38 C36 166.6(10) . .
O4 Dy2 O38 C36 -9.0(10) . .
O40 Dy2 O38 C36 -106.5(11) . .
O15 Dy2 O38 C36 85.4(10) . .
O9 Dy2 O38 C36 72.7(12) . .
O16 Dy2 O38 C36 -78.8(12) . .
C23 Dy2 O38 C36 4(3) . .
O41 Dy1 O39 C36 29.9(8) . .
O4 Dy1 O39 C36 -50.8(8) . .
O5 Dy1 O39 C36 159.8(7) . .
O42 Dy1 O39 C36 108.5(8) . .
O3 Dy1 O39 C36 -118.1(8) . .
O1 Dy1 O39 C36 -175.9(8) . .
O11 Dy1 O39 C36 -1.9(12) . .
Co5 Dy1 O39 C36 167.5(8) 2_676 .
Co5 Dy1 O39 C36 -145.7(8) . .
O36 Dy2 O40 C8 147.4(8) . .
O4 Dy2 O40 C8 -32.4(8) . .
O38 Dy2 O40 C8 52.2(8) . .
O15 Dy2 O40 C8 79.2(10) . .
O9 Dy2 O40 C8 -127.3(7) . .
O16 Dy2 O40 C8 -115.5(8) . .
C23 Dy2 O40 C8 -119.7(8) . .
O39 Dy1 O41 C8 -52.1(16) . .
O4 Dy1 O41 C8 32.3(16) . .
O5 Dy1 O41 C8 162.3(15) . .
O42 Dy1 O41 C8 -135.1(16) . .
O3 Dy1 O41 C8 60.5(17) . .
O1 Dy1 O41 C8 -111.4(15) . .
O11 Dy1 O41 C8 115.5(16) . .
Co5 Dy1 O41 C8 -164.6(15) 2_676 .
Co5 Dy1 O41 C8 -3(3) . .
O39 Dy1 O42 C13 111.0(10) . .
O41 Dy1 O42 C13 -160.9(10) . .
O4 Dy1 O42 C13 168.1(9) . .
O5 Dy1 O42 C13 -36.7(10) . .
O3 Dy1 O42 C13 7.1(11) . .
O1 Dy1 O42 C13 31.0(10) . .
O11 Dy1 O42 C13 -91.3(10) . .
Co5 Dy1 O42 C13 -3.4(9) 2_676 .
Co5 Dy1 O42 C13 23.6(10) . .
Co5 O5 C1 C2 -6.4(13) 2_676 .
Dy1 O5 C1 C2 165.2(7) . .
Co5 O5 C1 C6 174.9(6) 2_676 .
Dy1 O5 C1 C6 -13.6(11) . .
O5 C1 C2 C3 177.8(9) . .
C6 C1 C2 C3 -3.4(14) . .
O5 C1 C2 C31 0.6(15) . 2_676
C6 C1 C2 C31 179.4(9) . 2_676
C1 C2 C3 C4 3.2(16) . .
C31 C2 C3 C4 -179.5(10) 2_676 .
C2 C3 C4 C5 -0.7(17) . .
C3 C4 C5 C6 -1.3(16) . .
C4 C5 C6 C1 1.0(15) . .
C4 C5 C6 O11 179.7(9) . .
O5 C1 C6 C5 -179.8(9) . .
C2 C1 C6 C5 1.4(15) . .
O5 C1 C6 O11 1.4(12) . .
C2 C1 C6 O11 -177.4(8) . .
C7 O11 C6 C5 3.0(13) . .
Dy1 O11 C6 C5 -169.4(8) . .
C7 O11 C6 C1 -178.3(8) . .
Dy1 O11 C6 C1 9.4(10) . .
Dy2 O40 C8 O41 22.9(14) . .
Dy2 O40 C8 C9 -157.4(7) . .
Dy1 O41 C8 O40 -29(2) . .
Dy1 O41 C8 C9 151.7(12) . .
O40 C8 C9 C10 -8.1(17) . .
O41 C8 C9 C10 171.7(12) . .
O40 C8 C9 C11 -147.5(12) . .
O41 C8 C9 C11 32.2(16) . .
O40 C8 C9 C12 105.2(11) . .
O41 C8 C9 C12 -75.1(12) . .
Dy1 O42 C13 O12 4.1(17) . .
Dy1 O42 C13 C14 -176.3(7) . .
Co5 O12 C13 O42 -0.7(15) 2_676 .
Co5 O12 C13 C14 179.7(7) 2_676 .
O42 C13 C14 C16 -65.5(14) . .
O12 C13 C14 C16 114.1(11) . .
O42 C13 C14 C15 167.2(11) . .
O12 C13 C14 C15 -13.1(15) . .
O42 C13 C14 C17 45.0(14) . .
O12 C13 C14 C17 -135.3(10) . .
Dy2 O36 C18 O37 45(5) . .
Dy2 O36 C18 C19 -133(4) . .
O37 C18 C19 C20 27.2(18) . .
O36 C18 C19 C20 -154.9(12) . .
O37 C18 C19 C22 148.0(12) . .
O36 C18 C19 C22 -34.1(16) . .
O37 C18 C19 C21 -97.1(13) . .
O36 C18 C19 C21 80.8(13) . .
Dy2 O9 C23 O16 -4.2(10) . .
Dy2 O9 C23 C24 175.0(8) . .
Dy2 O16 C23 O9 4.2(10) . .
Dy2 O16 C23 C24 -175.1(8) . .
O36 Dy2 C23 O9 -78.0(6) . .
O4 Dy2 C23 O9 97.6(6) . .
O38 Dy2 C23 O9 85(2) . .
O40 Dy2 C23 O9 -166.5(5) . .
O15 Dy2 C23 O9 5.0(6) . .
O16 Dy2 C23 O9 -175.8(10) . .
O36 Dy2 C23 O16 97.8(6) . .
O4 Dy2 C23 O16 -86.6(6) . .
O38 Dy2 C23 O16 -100(2) . .
O40 Dy2 C23 O16 9.3(6) . .
O15 Dy2 C23 O16 -179.2(5) . .
O9 Dy2 C23 O16 175.8(10) . .
O36 Dy2 C23 C24 180(100) . .
O4 Dy2 C23 C24 -5(10) . .
O38 Dy2 C23 C24 -18(12) . .
O40 Dy2 C23 C24 91(10) . .
O15 Dy2 C23 C24 -97(10) . .
O9 Dy2 C23 C24 -102(11) . .
O16 Dy2 C23 C24 82(10) . .
O9 C23 C24 C27 85.6(13) . .
O16 C23 C24 C27 -95.2(13) . .
Dy2 C23 C24 C27 -175(10) . .
O9 C23 C24 C26 -142.7(12) . .
O16 C23 C24 C26 36.6(15) . .
Dy2 C23 C24 C26 -43(11) . .
O9 C23 C24 C25 -26.6(15) . .
O16 C23 C24 C25 152.6(11) . .
Dy2 C23 C24 C25 73(11) . .
Dy2 O4 C28 C29 -134.3(5) . .
Dy1 O4 C28 C29 38.0(8) . .
Co5 O3 C29 C30 43.5(7) . .
Dy1 O3 C29 C30 -74.7(7) . .
Co5 O3 C29 C28 164.3(5) . .
Dy1 O3 C29 C28 46.1(7) . .
O4 C28 C29 O3 -55.2(8) . .
O4 C28 C29 C30 62.4(9) . .
C31 O14 C30 C29 -164.9(8) . .
Co5 O14 C30 C29 13.5(8) . .
O3 C29 C30 O14 -36.5(9) . .
C28 C29 C30 O14 -154.1(7) . .
C30 O14 C31 C2 178.5(8) . 2_676
Co5 O14 C31 C2 0.4(13) . 2_676
Dy2 O38 C36 O39 21.1(17) . .
Dy2 O38 C36 C33 -156.0(8) . .
Dy1 O39 C36 O38 21.3(15) . .
Dy1 O39 C36 C33 -161.5(7) . .
C34 C33 C36 O38 -132.8(11) . .
C32 C33 C36 O38 108.9(12) . .
C35 C33 C36 O38 -13.0(15) . .
C34 C33 C36 O39 49.9(13) . .
C32 C33 C36 O39 -68.5(12) . .
C35 C33 C36 O39 169.6(10) . .
O34 C37 C38 C40 -92.6(18) . .
O35 C37 C38 C40 88.8(14) . .
O34 C37 C38 C39 147.4(15) . .
O35 C37 C38 C39 -31.3(19) . .
O34 C37 C38 C41 26(2) . .
O35 C37 C38 C41 -152.5(13) . .
C31 O14 Co5 O5 3.6(7) . 2_676
C30 O14 Co5 O5 -174.6(5) . 2_676
C31 O14 Co5 O12 96.9(7) . 2_676
C30 O14 Co5 O12 -81.3(5) . 2_676
C31 O14 Co5 O3 -173.1(7) . .
C30 O14 Co5 O3 8.6(5) . .
C31 O14 Co5 O1 -89.1(7) . .
C30 O14 Co5 O1 92.7(5) . .
C31 O14 Co5 O1 -20(9) . 2_676
C30 O14 Co5 O1 162(8) . 2_676
C31 O14 Co5 Co5 -87.4(8) . 2_676
C30 O14 Co5 Co5 94.3(5) . 2_676
C31 O14 Co5 Dy1 16.2(8) . 2_676
C30 O14 Co5 Dy1 -162.1(4) . 2_676
C31 O14 Co5 Dy1 -131.5(7) . .
C30 O14 Co5 Dy1 50.2(5) . .
C29 O3 Co5 O14 -30.0(5) . .
Dy1 O3 Co5 O14 91.1(2) . .
C29 O3 Co5 O5 -108(4) . 2_676
Dy1 O3 Co5 O5 13(4) . 2_676
C29 O3 Co5 O12 56.6(5) . 2_676
Dy1 O3 Co5 O12 177.6(2) . 2_676
C29 O3 Co5 O1 -127.8(5) . .
Dy1 O3 Co5 O1 -6.7(2) . .
C29 O3 Co5 O1 150.8(5) . 2_676
Dy1 O3 Co5 O1 -88.1(2) . 2_676
C29 O3 Co5 Co5 -168.8(4) . 2_676
Dy1 O3 Co5 Co5 -47.76(18) . 2_676
C29 O3 Co5 Dy1 139.4(4) . 2_676
Dy1 O3 Co5 Dy1 -99.6(2) . 2_676
C29 O3 Co5 Dy1 -121.1(5) . .
H1E O1 Co5 O14 59.7 . .
Co5 O1 Co5 O14 178.3(2) 2_676 .
Dy1 O1 Co5 O14 -78.3(3) . .
H1E O1 Co5 O5 -34.4 . 2_676
Co5 O1 Co5 O5 84.2(2) 2_676 2_676
Dy1 O1 Co5 O5 -172.5(2) . 2_676
H1E O1 Co5 O12 -178.1 . 2_676
Co5 O1 Co5 O12 -59.4(19) 2_676 2_676
Dy1 O1 Co5 O12 43.9(19) . 2_676
H1E O1 Co5 O3 144.5 . .
Co5 O1 Co5 O3 -96.9(2) 2_676 .
Dy1 O1 Co5 O3 6.4(2) . .
H1E O1 Co5 O1 -118.6 . 2_676
Co5 O1 Co5 O1 0.0 2_676 2_676
Dy1 O1 Co5 O1 103.4(3) . 2_676
H1E O1 Co5 Co5 -118.6 . 2_676
Dy1 O1 Co5 Co5 103.4(3) . 2_676
H1E O1 Co5 Dy1 -75.3 . 2_676
Co5 O1 Co5 Dy1 43.35(18) 2_676 2_676
Dy1 O1 Co5 Dy1 146.71(15) . 2_676
H1E O1 Co5 Dy1 138.0 . .
Co5 O1 Co5 Dy1 -103.4(3) 2_676 .
O39 Dy1 Co5 O14 34.9(2) . .
O41 Dy1 Co5 O14 -14.1(16) . .
O4 Dy1 Co5 O14 -49.0(2) . .
O5 Dy1 Co5 O14 179.9(2) . .
O42 Dy1 Co5 O14 116.9(2) . .
O3 Dy1 Co5 O14 -86.2(3) . .
O1 Dy1 Co5 O14 103.5(3) . .
O11 Dy1 Co5 O14 -130.9(2) . .
Co5 Dy1 Co5 O14 149.25(19) 2_676 .
O39 Dy1 Co5 O5 -57.8(3) . 2_676
O41 Dy1 Co5 O5 -106.9(16) . 2_676
O4 Dy1 Co5 O5 -141.7(3) . 2_676
O5 Dy1 Co5 O5 87.2(3) . 2_676
O42 Dy1 Co5 O5 24.2(3) . 2_676
O3 Dy1 Co5 O5 -178.9(3) . 2_676
O1 Dy1 Co5 O5 10.7(3) . 2_676
O11 Dy1 Co5 O5 136.3(3) . 2_676
Co5 Dy1 Co5 O5 56.5(2) 2_676 2_676
O39 Dy1 Co5 O12 118.0(3) . 2_676
O41 Dy1 Co5 O12 68.9(16) . 2_676
O4 Dy1 Co5 O12 34.1(3) . 2_676
O5 Dy1 Co5 O12 -97.0(3) . 2_676
O42 Dy1 Co5 O12 -160.0(3) . 2_676
O3 Dy1 Co5 O12 -3.1(3) . 2_676
O1 Dy1 Co5 O12 -173.5(3) . 2_676
O11 Dy1 Co5 O12 -47.9(3) . 2_676
Co5 Dy1 Co5 O12 -127.7(3) 2_676 2_676
O39 Dy1 Co5 O3 121.1(3) . .
O41 Dy1 Co5 O3 72.1(16) . .
O4 Dy1 Co5 O3 37.2(3) . .
O5 Dy1 Co5 O3 -93.9(3) . .
O42 Dy1 Co5 O3 -156.9(3) . .
O1 Dy1 Co5 O3 -170.3(3) . .
O11 Dy1 Co5 O3 -44.7(3) . .
Co5 Dy1 Co5 O3 -124.6(2) 2_676 .
O39 Dy1 Co5 O1 -68.5(3) . .
O41 Dy1 Co5 O1 -117.6(16) . .
O4 Dy1 Co5 O1 -152.4(3) . .
O5 Dy1 Co5 O1 76.4(3) . .
O42 Dy1 Co5 O1 13.5(3) . .
O3 Dy1 Co5 O1 170.3(3) . .
O11 Dy1 Co5 O1 125.6(3) . .
Co5 Dy1 Co5 O1 45.8(2) 2_676 .
O39 Dy1 Co5 O1 -143.4(2) . 2_676
O41 Dy1 Co5 O1 167.5(16) . 2_676
O4 Dy1 Co5 O1 132.68(19) . 2_676
O5 Dy1 Co5 O1 1.57(19) . 2_676
O42 Dy1 Co5 O1 -61.4(2) . 2_676
O3 Dy1 Co5 O1 95.5(3) . 2_676
O1 Dy1 Co5 O1 -74.9(3) . 2_676
O11 Dy1 Co5 O1 50.7(2) . 2_676
Co5 Dy1 Co5 O1 -29.11(14) 2_676 2_676
O39 Dy1 Co5 Co5 -114.32(15) . 2_676
O41 Dy1 Co5 Co5 -163.4(16) . 2_676
O4 Dy1 Co5 Co5 161.79(13) . 2_676
O5 Dy1 Co5 Co5 30.68(14) . 2_676
O42 Dy1 Co5 Co5 -32.31(17) . 2_676
O3 Dy1 Co5 Co5 124.6(2) . 2_676
O1 Dy1 Co5 Co5 -45.8(2) . 2_676
O11 Dy1 Co5 Co5 79.84(14) . 2_676
O39 Dy1 Co5 Dy1 -114.32(15) . 2_676
O41 Dy1 Co5 Dy1 -163.4(16) . 2_676
O4 Dy1 Co5 Dy1 161.79(13) . 2_676
O5 Dy1 Co5 Dy1 30.68(14) . 2_676
O42 Dy1 Co5 Dy1 -32.31(17) . 2_676
O3 Dy1 Co5 Dy1 124.6(2) . 2_676
O1 Dy1 Co5 Dy1 -45.8(2) . 2_676
O11 Dy1 Co5 Dy1 79.84(14) . 2_676
Co5 Dy1 Co5 Dy1 0.0 2_676 2_676
