#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:25:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179895 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/91/7019168.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_7019168
loop_
_publ_author_name
'Fang, Ming'
'Shi, Peng-Fei'
'Zhao, Bin'
'Jiang, Dong-Xue'
'Cheng, Peng'
'Shi, Wei'
_publ_section_title
;
 A series of 3d-4f heterometallic three-dimensional coordination polymers:
 syntheses, structures and magnetic properties.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6820
_journal_page_last               6826
_journal_paper_doi               10.1039/c2dt30391d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C72 H69 Cl2 Co2 Dy3 N12 O48'
_chemical_formula_weight         2546.65
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   48.8513(5)
_cell_length_b                   18.5561(3)
_cell_length_c                   18.3965(3)
_cell_measurement_reflns_used    14925
_cell_measurement_temperature    120
_cell_measurement_theta_max      29.0828
_cell_measurement_theta_min      2.4327
_cell_volume                     16676.2(4)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0628
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            49638
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    3.226
_exptl_absorpt_correction_T_max  0.8818
_exptl_absorpt_correction_T_min  0.7824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'Salmon pink'
_exptl_crystal_density_diffrn    2.029
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10038
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.640
_refine_diff_density_min         -3.628
_refine_diff_density_rms         0.292
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1280
_refine_ls_number_reflns         14613
_refine_ls_number_restraints     1627
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.1196
_refine_ls_R_factor_gt           0.1001
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+1285.9222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.1943
_reflns_number_gt                11942
_reflns_number_total             14613
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30391d.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7019168
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.121736(13) 0.42854(3) 0.20007(3) 0.00347(15) Uani 1 1 d U . .
Dy2 Dy 0.375978(13) 0.48712(4) 0.31737(4) 0.00664(16) Uani 1 1 d U . .
Dy3 Dy -0.122257(13) 0.40166(3) -0.36892(3) 0.00398(15) Uani 1 1 d U . .
Co4 Co 0.24483(4) 0.38559(10) 0.54525(10) 0.0027(4) Uani 1 1 d U . .
Co5 Co 0.00210(3) 0.25252(10) -0.10867(9) 0.0014(4) Uani 1 1 d U . .
C1 C 0.0760(3) 0.3305(8) 0.1059(8) 0.0085(9) Uani 1 1 d U . .
C2 C 0.0411(3) 0.2965(8) 0.0071(7) 0.0071(8) Uani 1 1 d U . .
H2 H 0.0518 0.2569 -0.0049 0.009 Uiso 1 1 calc R . .
C3 C 0.0489(3) 0.3408(8) 0.0643(8) 0.0076(8) Uani 1 1 d U . .
C4 C 0.0316(3) 0.3961(8) 0.0855(8) 0.0073(8) Uani 1 1 d U . .
H4 H 0.0360 0.4242 0.1257 0.009 Uiso 1 1 calc R . .
C5 C 0.0084(3) 0.4092(8) 0.0476(7) 0.0069(8) Uani 1 1 d U . .
H5 H -0.0033 0.4463 0.0616 0.008 Uiso 1 1 calc R . .
C6 C 0.0023(3) 0.3670(7) -0.0120(7) 0.0064(8) Uani 1 1 d U . .
C7 C -0.0212(3) 0.3794(8) -0.0611(7) 0.0058(8) Uani 1 1 d U . .
C8 C -0.0410(3) 0.4316(8) -0.0490(7) 0.0056(8) Uani 1 1 d U . .
H8 H -0.0401 0.4606 -0.0078 0.007 Uiso 1 1 calc R . .
C9 C -0.0616(3) 0.4403(8) -0.0982(7) 0.0055(8) Uani 1 1 d U . .
H9 H -0.0750 0.4752 -0.0903 0.007 Uiso 1 1 calc R . .
C10 C -0.0627(3) 0.3975(7) -0.1595(7) 0.0054(8) Uani 1 1 d U . .
C11 C -0.0427(3) 0.3438(7) -0.1677(7) 0.0055(8) Uani 1 1 d U . .
H11 H -0.0434 0.3139 -0.2082 0.007 Uiso 1 1 calc R . .
C12 C -0.0852(3) 0.4098(7) -0.2155(7) 0.0054(8) Uani 1 1 d U . .
C13 C -0.0869(3) 0.2534(8) 0.5706(8) 0.0063(9) Uani 1 1 d U . .
C14 C -0.0466(3) 0.2618(8) 0.4883(8) 0.0059(8) Uani 1 1 d U . .
H14 H -0.0547 0.2247 0.4619 0.007 Uiso 1 1 calc R . .
C15 C -0.0602(3) 0.2882(7) 0.5478(7) 0.0059(8) Uani 1 1 d U . .
C16 C -0.0487(3) 0.3434(7) 0.5871(8) 0.0058(8) Uani 1 1 d U . .
H16 H -0.0574 0.3619 0.6279 0.007 Uiso 1 1 calc R . .
C17 C -0.0234(3) 0.3710(8) 0.5643(7) 0.0057(8) Uani 1 1 d U . .
H17 H -0.0151 0.4079 0.5904 0.007 Uiso 1 1 calc R . .
C18 C -0.0109(3) 0.3434(8) 0.5031(7) 0.0057(8) Uani 1 1 d U . .
C19 C 0.0146(3) 0.3701(8) 0.4709(7) 0.0058(8) Uani 1 1 d U . .
C20 C 0.0279(3) 0.4318(8) 0.4957(8) 0.0060(8) Uani 1 1 d U . .
H20 H 0.0223 0.4551 0.5380 0.007 Uiso 1 1 calc R . .
C21 C 0.0502(3) 0.4575(8) 0.4545(7) 0.0060(8) Uani 1 1 d U . .
H21 H 0.0598 0.4980 0.4696 0.007 Uiso 1 1 calc R . .
C22 C 0.0575(3) 0.4223(8) 0.3919(7) 0.0061(8) Uani 1 1 d U . .
C23 C 0.0442(3) 0.3589(7) 0.3736(8) 0.0059(8) Uani 1 1 d U . .
H23 H 0.0501 0.3333 0.3330 0.007 Uiso 1 1 calc R . .
C24 C 0.0805(3) 0.4505(8) 0.3444(7) 0.0063(8) Uani 1 1 d U . .
C25 C 0.4298(3) 0.4290(8) 0.2282(8) 0.0109(9) Uani 1 1 d U . .
C26 C 0.4656(3) 0.3460(8) 0.1812(8) 0.0098(9) Uani 1 1 d U . .
H26 H 0.4603 0.3614 0.1351 0.012 Uiso 1 1 calc R . .
C27 C 0.4526(3) 0.3741(8) 0.2431(8) 0.0101(8) Uani 1 1 d U . .
C28 C 0.4605(3) 0.3510(8) 0.3103(8) 0.0097(9) Uani 1 1 d U . .
H28 H 0.4517 0.3684 0.3516 0.012 Uiso 1 1 calc R . .
C29 C 0.4815(3) 0.3018(8) 0.3170(8) 0.0094(9) Uani 1 1 d U . .
H29 H 0.4872 0.2868 0.3627 0.011 Uiso 1 1 calc R . .
C30 C 0.4939(3) 0.2750(8) 0.2556(8) 0.0090(8) Uani 1 1 d U . .
C31 C 0.5179(3) 0.2255(8) 0.2530(8) 0.0084(8) Uani 1 1 d U . .
C32 C 0.5311(3) 0.1995(8) 0.3117(8) 0.0083(9) Uani 1 1 d U . .
H32 H 0.5245 0.2085 0.3582 0.010 Uiso 1 1 calc R . .
C33 C 0.5551(3) 0.1586(8) 0.3020(8) 0.0081(10) Uani 1 1 d U . .
H33 H 0.5646 0.1403 0.3418 0.010 Uiso 1 1 calc R . .
C34 C 0.5642(3) 0.1465(8) 0.2321(8) 0.0080(10) Uani 1 1 d U . .
C35 C 0.5491(3) 0.1724(8) 0.1738(8) 0.0080(10) Uani 1 1 d U . .
H35 H 0.5551 0.1632 0.1266 0.010 Uiso 1 1 calc R . .
C36 C 0.4101(3) 0.6028(8) 0.2842(8) 0.0102(14) Uani 1 1 d U . .
C37 C 0.3302(3) 0.2004(8) 0.4627(8) 0.0113(9) Uani 1 1 d U . .
C38 C 0.2902(3) 0.2798(8) 0.4912(8) 0.0099(9) Uani 1 1 d U . .
H38 H 0.3013 0.3011 0.5261 0.012 Uiso 1 1 calc R . .
C39 C 0.3009(3) 0.2222(8) 0.4502(8) 0.0104(8) Uani 1 1 d U . .
C40 C 0.2836(3) 0.1897(8) 0.3997(8) 0.0100(9) Uani 1 1 d U . .
H40 H 0.2894 0.1500 0.3731 0.012 Uiso 1 1 calc R . .
C41 C 0.2580(3) 0.2169(8) 0.3899(8) 0.0097(9) Uani 1 1 d U . .
H41 H 0.2464 0.1957 0.3559 0.012 Uiso 1 1 calc R . .
C42 C 0.2489(3) 0.2752(8) 0.4294(8) 0.0094(8) Uani 1 1 d U . .
C43 C 0.2221(3) 0.3124(8) 0.4178(8) 0.0091(8) Uani 1 1 d U . .
C44 C 0.2032(3) 0.2869(8) 0.3674(8) 0.0091(8) Uani 1 1 d U . .
H44 H 0.2056 0.2426 0.3445 0.011 Uiso 1 1 calc R . .
C45 C 0.1806(3) 0.3301(8) 0.3525(8) 0.0092(9) Uani 1 1 d U . .
H45 H 0.1677 0.3154 0.3182 0.011 Uiso 1 1 calc R . .
C46 C 0.1770(3) 0.3954(8) 0.3887(8) 0.0092(8) Uani 1 1 d U . .
C47 C 0.1963(3) 0.4133(8) 0.4417(8) 0.0091(9) Uani 1 1 d U . .
H47 H 0.1938 0.4556 0.4679 0.011 Uiso 1 1 calc R . .
C48 C 0.1551(3) 0.4481(8) 0.3652(8) 0.0094(9) Uani 1 1 d U . .
C49 C 0.3318(3) 0.5171(8) 0.4091(8) 0.0124(9) Uani 1 1 d U . .
C50 C 0.2896(3) 0.4696(8) 0.4671(8) 0.0116(9) Uani 1 1 d U . .
H50 H 0.2952 0.4246 0.4506 0.014 Uiso 1 1 calc R . .
C51 C 0.3057(3) 0.5300(8) 0.4500(8) 0.0120(8) Uani 1 1 d U . .
C52 C 0.2965(3) 0.5962(8) 0.4724(8) 0.0118(9) Uani 1 1 d U . .
H52 H 0.3065 0.6374 0.4617 0.014 Uiso 1 1 calc R . .
C53 C 0.2724(3) 0.6015(8) 0.5107(8) 0.0117(9) Uani 1 1 d U . .
H53 H 0.2661 0.6462 0.5264 0.014 Uiso 1 1 calc R . .
C54 C 0.2576(3) 0.5402(8) 0.5257(8) 0.0116(8) Uani 1 1 d U . .
C55 C 0.2319(3) 0.5395(8) 0.5697(8) 0.0117(8) Uani 1 1 d U . .
C56 C 0.2177(3) 0.6011(8) 0.5891(8) 0.0119(9) Uani 1 1 d U . .
H56 H 0.2239 0.6461 0.5742 0.014 Uiso 1 1 calc R . .
C57 C 0.1942(3) 0.5954(8) 0.6309(8) 0.0121(9) Uani 1 1 d U . .
H57 H 0.1843 0.6362 0.6439 0.015 Uiso 1 1 calc R . .
C58 C 0.1858(3) 0.5277(8) 0.6531(8) 0.0123(8) Uani 1 1 d U . .
C59 C 0.2009(3) 0.4681(8) 0.6308(8) 0.0122(9) Uani 1 1 d U . .
H59 H 0.1952 0.4226 0.6454 0.015 Uiso 1 1 calc R . .
C60 C 0.1619(3) 0.5186(8) 0.7046(8) 0.0129(9) Uani 1 1 d U . .
C61 C 0.1615(3) 0.3107(9) 0.1044(8) 0.0141(10) Uani 1 1 d U . .
C62 C 0.2003(3) 0.2253(8) 0.0903(8) 0.0123(9) Uani 1 1 d U . .
H62 H 0.1891 0.2019 0.0570 0.015 Uiso 1 1 calc R . .
C63 C 0.1902(3) 0.2869(8) 0.1250(8) 0.0130(9) Uani 1 1 d U . .
C64 C 0.2065(3) 0.3215(8) 0.1739(8) 0.0126(9) Uani 1 1 d U . .
H64 H 0.2003 0.3625 0.1978 0.015 Uiso 1 1 calc R . .
C65 C 0.2325(3) 0.2948(8) 0.1879(8) 0.0122(9) Uani 1 1 d U . .
H65 H 0.2440 0.3180 0.2206 0.015 Uiso 1 1 calc R . .
C66 C 0.2411(3) 0.2327(8) 0.1521(8) 0.0118(9) Uani 1 1 d U . .
C67 C 0.2677(3) 0.1974(8) 0.1667(8) 0.0114(9) Uani 1 1 d U . .
C68 C 0.2870(3) 0.2252(8) 0.2150(8) 0.0114(10) Uani 1 1 d U . .
H68 H 0.2842 0.2696 0.2372 0.014 Uiso 1 1 calc R . .
C69 C 0.3103(3) 0.1859(8) 0.2294(8) 0.0113(10) Uani 1 1 d U . .
H69 H 0.3235 0.2041 0.2610 0.014 Uiso 1 1 calc R . .
C70 C 0.3142(3) 0.1196(8) 0.1970(8) 0.0112(10) Uani 1 1 d U . .
C71 C 0.2947(3) 0.0960(8) 0.1484(8) 0.0112(10) Uani 1 1 d U . .
H71 H 0.2974 0.0517 0.1258 0.013 Uiso 1 1 calc R . .
C72 C 0.1617(3) 0.5737(8) 0.2161(8) 0.0121(14) Uani 1 1 d U . .
Cl1 Cl 0.00784(8) 0.5059(2) 0.2750(2) 0.0178(7) Uani 1 1 d U . .
Cl2 Cl 0.23866(12) 0.4911(3) 0.2949(3) 0.0508(12) Uani 1 1 d DU . .
N1 N 0.5261(2) 0.2103(6) 0.1841(6) 0.0080(9) Uani 1 1 d U . .
N2 N 0.4854(2) 0.2971(6) 0.1886(7) 0.0093(9) Uani 1 1 d U . .
N3 N 0.0232(2) 0.3332(6) 0.4125(6) 0.0058(8) Uani 1 1 d U . .
N4 N -0.0219(2) 0.2874(6) 0.4662(6) 0.0057(8) Uani 1 1 d U . .
N5 N 0.0181(2) 0.3103(6) -0.0315(6) 0.0066(8) Uani 1 1 d U . .
N6 N -0.0228(2) 0.3342(6) -0.1196(6) 0.0056(8) Uani 1 1 d U . .
N7 N 0.2182(2) 0.3730(6) 0.4568(7) 0.0090(8) Uani 1 1 d U . .
N8 N 0.2648(2) 0.3052(7) 0.4821(6) 0.0095(9) Uani 1 1 d U . .
N9 N 0.2254(3) 0.1983(7) 0.1027(7) 0.0119(9) Uani 1 1 d U . .
N10 N 0.2722(2) 0.1331(7) 0.1321(7) 0.0112(10) Uani 1 1 d U . .
N11 N 0.2667(2) 0.4741(7) 0.5058(7) 0.0115(9) Uani 1 1 d U . .
N12 N 0.2233(3) 0.4733(7) 0.5890(7) 0.0118(9) Uani 1 1 d U . .
O1 O 0.0849(2) 0.2681(5) 0.1122(5) 0.0093(12) Uani 1 1 d U . .
O2 O 0.08539(19) 0.3871(5) 0.1322(5) 0.0092(10) Uani 1 1 d U . .
O3 O -0.09866(19) 0.4653(5) -0.2051(5) 0.0054(9) Uani 1 1 d U . .
O4 O -0.08818(19) 0.3673(5) -0.2683(5) 0.0054(9) Uani 1 1 d U . .
O5 O -0.0905(2) 0.1900(5) 0.5512(5) 0.0089(12) Uani 1 1 d U . .
O6 O -0.10327(19) 0.2908(5) 0.6073(5) 0.0061(10) Uani 1 1 d U . .
O7 O 0.08611(19) 0.4141(5) 0.2889(5) 0.0065(10) Uani 1 1 d U . .
O8 O 0.09108(19) 0.5076(5) 0.3650(5) 0.0065(10) Uani 1 1 d U . .
O9 O 0.4068(2) 0.5835(5) 0.3494(5) 0.0100(14) Uani 1 1 d U . .
O10 O 0.3941(2) 0.5869(5) 0.2356(5) 0.0105(14) Uani 1 1 d U . .
O11 O 0.4262(2) 0.4482(6) 0.1636(5) 0.0126(13) Uani 1 1 d U . .
O12 O 0.4178(2) 0.4484(5) 0.2847(5) 0.0113(10) Uani 1 1 d U . .
O13 O 0.14348(19) 0.4322(5) 0.3082(5) 0.0095(10) Uani 1 1 d U . .
O14 O 0.1511(2) 0.5014(5) 0.4048(5) 0.0095(10) Uani 1 1 d U . .
O15 O 0.3402(2) 0.1575(5) 0.4180(5) 0.0115(10) Uani 1 1 d U . .
O16 O 0.3423(2) 0.2274(6) 0.5175(6) 0.0140(13) Uani 1 1 d U . .
O17 O 0.1627(2) 0.4672(6) 0.7490(6) 0.0132(10) Uani 1 1 d U . .
O18 O 0.1426(2) 0.5617(6) 0.7037(6) 0.0131(10) Uani 1 1 d U . .
O19 O 0.3363(2) 0.4547(6) 0.3865(6) 0.0128(10) Uani 1 1 d U . .
O20 O 0.3480(2) 0.5679(6) 0.3991(6) 0.0127(10) Uani 1 1 d U . .
O21 O 0.1544(2) 0.3706(6) 0.1314(6) 0.0145(11) Uani 1 1 d U . .
O22 O 0.1476(2) 0.2711(6) 0.0664(6) 0.0165(13) Uani 1 1 d U . .
O23 O 0.1575(2) 0.5172(6) 0.1823(6) 0.0121(14) Uani 1 1 d U . .
O24 O 0.1477(2) 0.5966(6) 0.2694(6) 0.0122(14) Uani 1 1 d U . .
O25 O 0.3735(2) 0.3565(5) 0.3278(6) 0.013(2) Uani 1 1 d U . .
H25B H 0.3745 0.3332 0.3672 0.019 Uiso 1 1 d R . .
H25A H 0.3671 0.3284 0.2934 0.019 Uiso 1 1 d R . .
O26 O 0.3968(2) 0.4563(6) 0.4346(6) 0.018(2) Uani 1 1 d U . .
H26A H 0.3937 0.4527 0.4799 0.022 Uiso 1 1 d R . .
H26B H 0.4134 0.4687 0.4293 0.022 Uiso 1 1 d R . .
O27 O 0.1229(2) 0.4808(7) 0.0671(6) 0.026(3) Uani 1 1 d U . .
H27A H 0.1318 0.4551 0.0377 0.039 Uiso 1 1 d R . .
H27B H 0.1276 0.5244 0.0647 0.039 Uiso 1 1 d R . .
O28 O 0.1203(2) 0.3026(5) 0.2333(6) 0.015(2) Uani 1 1 d U . .
H28A H 0.1114 0.2771 0.2032 0.018 Uiso 1 1 d R . .
H28B H 0.1342 0.2784 0.2466 0.018 Uiso 1 1 d R . .
O29 O -0.1073(2) 0.4162(6) -0.4896(6) 0.020(3) Uani 1 1 d U . .
H29A H -0.1079 0.4252 -0.5349 0.024 Uiso 1 1 d R . .
H3 H -0.0925 0.3940 -0.4810 0.024 Uiso 1 1 d R . .
O30 O -0.0071(2) 0.4966(6) 0.3419(6) 0.0201(12) Uani 1 1 d U . .
O31 O 0.0320(2) 0.5458(6) 0.2913(6) 0.0186(12) Uani 1 1 d U . .
O32 O 0.0152(2) 0.4367(6) 0.2465(6) 0.0180(12) Uani 1 1 d U . .
O33 O 0.2403(5) 0.5304(14) 0.3586(14) 0.0507(15) Uani 0.602(15) 1 d PDU A 2
O34 O 0.2144(9) 0.464(2) 0.269(2) 0.0509(15) Uani 0.398(15) 1 d PDU A 1
O36' O 0.2409(8) 0.471(2) 0.219(2) 0.0508(14) Uani 0.398(15) 1 d PU A 1
O37 O 0.0976(3) 0.7781(7) 0.2272(7) 0.028(3) Uani 1 1 d U . .
H37A H 0.1142 0.7692 0.2171 0.042 Uiso 1 1 d R . .
H37B H 0.0961 0.7967 0.2688 0.042 Uiso 1 1 d R . .
O38 O 0.1202(3) 0.8364(7) 0.1017(7) 0.037(3) Uani 1 1 d U . .
H38A H 0.1177 0.7908 0.1003 0.056 Uiso 1 1 d R . .
H38B H 0.1304 0.8479 0.1371 0.056 Uiso 1 1 d R . .
O39 O 0.1130(3) 0.1562(9) 0.4758(9) 0.059(5) Uani 1 1 d U . .
H39B H 0.1109 0.1190 0.5007 0.088 Uiso 1 1 d R . .
H39A H 0.0990 0.1819 0.4746 0.088 Uiso 1 1 d R . .
O40 O 0.0995(3) 0.2631(7) 0.3698(7) 0.033(3) Uani 1 1 d U . .
H40A H 0.1072 0.2773 0.3308 0.039 Uiso 1 1 d R . .
H40B H 0.1120 0.2583 0.4018 0.039 Uiso 1 1 d R . .
O41 O 0.1023(2) 0.0365(6) 0.0696(6) 0.022(3) Uani 1 1 d U . .
H41A H 0.1033 0.0032 0.1006 0.033 Uiso 1 1 d R . .
H41B H 0.1154 0.0659 0.0744 0.033 Uiso 1 1 d R . .
O42 O 0.1433(3) 0.1266(7) 0.1194(7) 0.032(3) Uani 1 1 d U . .
H42B H 0.1395 0.1644 0.1457 0.048 Uiso 1 1 d R . .
H42A H 0.1410 0.1453 0.0730 0.048 Uiso 1 1 d R . .
O43 O 0.2067(3) 0.1354(7) 0.2805(7) 0.030(3) Uani 1 1 d U . .
H43A H 0.1899 0.1292 0.2688 0.045 Uiso 1 1 d R . .
H43B H 0.2108 0.1031 0.3195 0.045 Uiso 1 1 d R . .
O44 O 0.1533(3) 0.6140(8) 0.0272(8) 0.048(4) Uani 1 1 d U . .
H44A H 0.1400 0.6351 0.0489 0.072 Uiso 1 1 d R . .
H44B H 0.1521 0.6184 -0.0185 0.072 Uiso 1 1 d R . .
O45 O 0.0880(3) 0.1681(7) 0.0026(7) 0.037(3) Uani 1 1 d U . .
H45B H 0.0902 0.1935 0.0406 0.045 Uiso 1 1 d R . .
H45A H 0.1003 0.1358 0.0025 0.045 Uiso 1 1 d R . .
O46 O 0.0403(2) 0.0227(6) 0.4005(6) 0.020(3) Uani 1 1 d U . .
H46A H 0.0412 -0.0232 0.3932 0.030 Uiso 1 1 d R . .
H46B H 0.0564 0.0408 0.3999 0.030 Uiso 1 1 d R . .
O47 O -0.0078(2) 0.5450(6) 0.2225(6) 0.0209(12) Uani 1 1 d U . .
O48 O 0.2994(4) 0.3590(11) 0.3105(11) 0.084(6) Uani 1 1 d U . .
H48B H 0.3112 0.3899 0.3241 0.101 Uiso 1 1 d R . .
H48A H 0.2839 0.3799 0.3088 0.101 Uiso 1 1 d R . .
O33' O 0.2449(8) 0.575(2) 0.283(2) 0.0509(15) Uani 0.398(15) 1 d PDU A 1
O34' O 0.2082(6) 0.4974(16) 0.2927(15) 0.0511(15) Uani 0.602(15) 1 d PDU A 2
O35 O 0.2512(3) 0.4241(9) 0.3231(9) 0.0541(16) Uani 1 1 d DU A 2
O36 O 0.2563(6) 0.5135(15) 0.2398(14) 0.0509(14) Uani 0.602(15) 1 d PDU A 2
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'
Cl Cl 0.1484 0.1585 '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
O13 Dy1 O3 99.9(3) . 5_565
O13 Dy1 O21 99.9(4) . .
O3 Dy1 O21 140.5(4) 5_565 .
O13 Dy1 O2 148.3(3) . .
O3 Dy1 O2 85.9(3) 5_565 .
O21 Dy1 O2 94.6(4) . .
O13 Dy1 O7 75.2(3) . .
O3 Dy1 O7 73.1(3) 5_565 .
O21 Dy1 O7 145.4(3) . .
O2 Dy1 O7 76.9(3) . .
O13 Dy1 O28 79.6(4) . .
O3 Dy1 O28 144.5(3) 5_565 .
O21 Dy1 O28 73.0(4) . .
O2 Dy1 O28 78.0(4) . .
O7 Dy1 O28 72.5(3) . .
O13 Dy1 O23 76.1(3) . .
O3 Dy1 O23 77.0(3) 5_565 .
O21 Dy1 O23 75.1(4) . .
O2 Dy1 O23 135.2(3) . .
O7 Dy1 O23 133.7(3) . .
O28 Dy1 O23 135.4(3) . .
O13 Dy1 O27 143.0(4) . .
O3 Dy1 O27 74.3(4) 5_565 .
O21 Dy1 O27 69.3(4) . .
O2 Dy1 O27 68.6(4) . .
O7 Dy1 O27 133.5(3) . .
O28 Dy1 O27 126.3(4) . .
O23 Dy1 O27 67.0(4) . .
O12 Dy2 O19 142.9(4) . .
O12 Dy2 O9 74.6(3) . .
O19 Dy2 O9 124.2(3) . .
O12 Dy2 O17 133.0(4) . 2_564
O19 Dy2 O17 74.4(3) . 2_564
O9 Dy2 O17 110.8(3) . 2_564
O12 Dy2 O25 75.4(3) . .
O19 Dy2 O25 70.6(3) . .
O9 Dy2 O25 138.6(3) . .
O17 Dy2 O25 110.5(3) 2_564 .
O12 Dy2 O26 77.5(4) . .
O19 Dy2 O26 79.1(4) . .
O9 Dy2 O26 72.5(3) . .
O17 Dy2 O26 149.5(4) 2_564 .
O25 Dy2 O26 73.7(3) . .
O12 Dy2 O18 89.5(3) . 2_564
O19 Dy2 O18 93.4(3) . 2_564
O9 Dy2 O18 135.5(3) . 2_564
O17 Dy2 O18 53.0(3) 2_564 2_564
O25 Dy2 O18 71.4(3) . 2_564
O26 Dy2 O18 144.8(3) . 2_564
O12 Dy2 O20 147.3(3) . .
O19 Dy2 O20 52.8(3) . .
O9 Dy2 O20 75.7(3) . .
O17 Dy2 O20 71.3(3) 2_564 .
O25 Dy2 O20 121.2(3) . .
O26 Dy2 O20 80.8(3) . .
O18 Dy2 O20 121.7(3) 2_564 .
O12 Dy2 O10 76.0(3) . .
O19 Dy2 O10 141.1(3) . .
O9 Dy2 O10 52.2(3) . .
O17 Dy2 O10 73.1(3) 2_564 .
O25 Dy2 O10 142.0(3) . .
O26 Dy2 O10 123.1(3) . .
O18 Dy2 O10 83.9(3) 2_564 .
O20 Dy2 O10 96.2(3) . .
O12 Dy2 C60 113.1(4) . 2_564
O19 Dy2 C60 81.3(4) . 2_564
O9 Dy2 C60 128.7(4) . 2_564
O17 Dy2 C60 26.8(4) 2_564 2_564
O25 Dy2 C60 89.3(4) . 2_564
O26 Dy2 C60 157.4(4) . 2_564
O18 Dy2 C60 26.3(4) 2_564 2_564
O20 Dy2 C60 96.1(4) . 2_564
O10 Dy2 C60 79.5(4) . 2_564
O12 Dy2 C36 69.2(4) . .
O19 Dy2 C36 142.6(4) . .
O9 Dy2 C36 26.9(4) . .
O17 Dy2 C36 94.8(4) 2_564 .
O25 Dy2 C36 144.5(4) . .
O26 Dy2 C36 97.1(4) . .
O18 Dy2 C36 108.6(4) 2_564 .
O20 Dy2 C36 89.8(4) . .
O10 Dy2 C36 26.1(4) . .
C60 Dy2 C36 105.3(4) 2_564 .
O12 Dy2 C49 158.0(4) . .
O19 Dy2 C49 26.4(4) . .
O9 Dy2 C49 100.8(4) . .
O17 Dy2 C49 69.0(4) 2_564 .
O25 Dy2 C49 96.5(4) . .
O26 Dy2 C49 80.6(4) . .
O18 Dy2 C49 107.5(4) 2_564 .
O20 Dy2 C49 26.5(4) . .
O10 Dy2 C49 118.7(4) . .
C60 Dy2 C49 86.8(4) 2_564 .
C36 Dy2 C49 116.2(4) . .
O24 Dy3 O8 109.9(4) 5_565 5_565
O24 Dy3 O6 113.4(4) 5_565 1_554
O8 Dy3 O6 113.5(3) 5_565 1_554
O24 Dy3 O15 83.4(4) 5_565 3_455
O8 Dy3 O15 153.2(3) 5_565 3_455
O6 Dy3 O15 79.7(3) 1_554 3_455
O24 Dy3 O29 162.4(4) 5_565 .
O8 Dy3 O29 74.7(4) 5_565 .
O6 Dy3 O29 78.4(4) 1_554 .
O15 Dy3 O29 86.1(4) 3_455 .
O24 Dy3 O14 83.5(4) 5_565 5_565
O8 Dy3 O14 81.1(3) 5_565 5_565
O6 Dy3 O14 149.7(3) 1_554 5_565
O15 Dy3 O14 77.4(3) 3_455 5_565
O29 Dy3 O14 80.5(4) . 5_565
O24 Dy3 O4 76.8(3) 5_565 .
O8 Dy3 O4 74.1(3) 5_565 .
O6 Dy3 O4 69.7(3) 1_554 .
O15 Dy3 O4 132.5(3) 3_455 .
O29 Dy3 O4 120.5(3) . .
O14 Dy3 O4 140.5(3) 5_565 .
O24 Dy3 H3 177.4 5_565 .
O8 Dy3 H3 71.4 5_565 .
O6 Dy3 H3 64.0 1_554 .
O15 Dy3 H3 96.4 3_455 .
O29 Dy3 H3 19.7 . .
O14 Dy3 H3 99.0 5_565 .
O4 Dy3 H3 101.6 . .
N11 Co4 N7 97.7(5) . .
N11 Co4 N12 77.3(5) . .
N7 Co4 N12 94.2(5) . .
N11 Co4 N9 170.1(5) . 8_566
N7 Co4 N9 91.6(5) . 8_566
N12 Co4 N9 98.9(5) . 8_566
N11 Co4 N10 93.9(5) . 8_566
N7 Co4 N10 164.1(5) . 8_566
N12 Co4 N10 98.9(5) . 8_566
N9 Co4 N10 77.5(5) 8_566 8_566
N11 Co4 N8 97.3(5) . .
N7 Co4 N8 77.4(5) . .
N12 Co4 N8 169.4(5) . .
N9 Co4 N8 87.9(5) 8_566 .
N10 Co4 N8 90.5(5) 8_566 .
N2 Co5 N3 89.2(5) 3_455 8_565
N2 Co5 N1 83.1(5) 3_455 3_455
N3 Co5 N1 96.5(5) 8_565 3_455
N2 Co5 N5 175.2(5) 3_455 .
N3 Co5 N5 95.3(5) 8_565 .
N1 Co5 N5 94.8(5) 3_455 .
N2 Co5 N6 91.6(5) 3_455 .
N3 Co5 N6 171.9(5) 8_565 .
N1 Co5 N6 91.6(5) 3_455 .
N5 Co5 N6 84.1(5) . .
N2 Co5 N4 95.9(5) 3_455 8_565
N3 Co5 N4 82.4(5) 8_565 8_565
N1 Co5 N4 178.5(5) 3_455 8_565
N5 Co5 N4 86.3(5) . 8_565
N6 Co5 N4 89.6(5) . 8_565
O1 C1 O2 128.3(13) . .
O1 C1 C3 117.6(12) . .
O2 C1 C3 114.0(12) . .
N5 C2 C3 120.9(13) . .
N5 C2 H2 119.6 . .
C3 C2 H2 119.6 . .
C4 C3 C2 119.0(13) . .
C4 C3 C1 118.4(13) . .
C2 C3 C1 122.6(13) . .
C5 C4 C3 120.0(14) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 119.2(13) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
N5 C6 C5 121.9(13) . .
N5 C6 C7 113.7(12) . .
C5 C6 C7 124.4(13) . .
N6 C7 C8 121.1(13) . .
N6 C7 C6 115.4(12) . .
C8 C7 C6 123.4(13) . .
C9 C8 C7 119.4(13) . .
C9 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C8 C9 C10 120.2(13) . .
C8 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C9 C10 C11 117.9(13) . .
C9 C10 C12 119.7(12) . .
C11 C10 C12 122.4(12) . .
N6 C11 C10 122.3(13) . .
N6 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
O3 C12 O4 125.3(13) . .
O3 C12 C10 113.8(12) . .
O4 C12 C10 120.8(12) . .
O5 C13 O6 125.9(13) . .
O5 C13 C15 116.6(12) . .
O6 C13 C15 117.5(12) . .
N4 C14 C15 123.0(13) . .
N4 C14 H14 118.5 . .
C15 C14 H14 118.5 . .
C14 C15 C16 119.1(13) . .
C14 C15 C13 119.1(12) . .
C16 C15 C13 121.7(12) . .
C15 C16 C17 118.5(13) . .
C15 C16 H16 120.7 . .
C17 C16 H16 120.7 . .
C18 C17 C16 119.9(13) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
N4 C18 C17 121.2(13) . .
N4 C18 C19 113.3(12) . .
C17 C18 C19 125.5(13) . .
N3 C19 C20 122.4(13) . .
N3 C19 C18 114.7(12) . .
C20 C19 C18 122.8(12) . .
C19 C20 C21 117.5(13) . .
C19 C20 H20 121.3 . .
C21 C20 H20 121.3 . .
C22 C21 C20 119.5(13) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C23 119.1(13) . .
C21 C22 C24 120.9(13) . .
C23 C22 C24 120.0(12) . .
N3 C23 C22 122.1(13) . .
N3 C23 H23 118.9 . .
C22 C23 H23 118.9 . .
O8 C24 O7 128.3(13) . .
O8 C24 C22 115.3(12) . .
O7 C24 C22 116.4(12) . .
O12 C25 O11 129.9(14) . .
O12 C25 C27 112.7(13) . .
O11 C25 C27 117.5(13) . .
N2 C26 C27 119.8(14) . .
N2 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C28 C27 C26 119.4(14) . .
C28 C27 C25 125.2(13) . .
C26 C27 C25 115.5(13) . .
C27 C28 C29 119.9(14) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C30 C29 C28 119.6(14) . .
C30 C29 H29 120.2 . .
C28 C29 H29 120.2 . .
N2 C30 C29 120.0(13) . .
N2 C30 C31 113.3(12) . .
C29 C30 C31 126.6(13) . .
C32 C31 N1 122.0(13) . .
C32 C31 C30 124.9(13) . .
N1 C31 C30 113.1(12) . .
C31 C32 C33 119.4(14) . .
C31 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C34 C33 C32 118.3(13) . .
C34 C33 H33 120.8 . .
C32 C33 H33 120.8 . .
C33 C34 C35 119.6(13) . .
C33 C34 C36 122.4(13) . 4_645
C35 C34 C36 118.0(13) . 4_645
N1 C35 C34 121.2(13) . .
N1 C35 H35 119.4 . .
C34 C35 H35 119.4 . .
O10 C36 O9 123.1(14) . .
O10 C36 C34 120.7(13) . 4_655
O9 C36 C34 116.3(13) . 4_655
O10 C36 Dy2 65.9(8) . .
O9 C36 Dy2 59.8(7) . .
C34 C36 Dy2 161.1(10) 4_655 .
O15 C37 O16 126.5(14) . .
O15 C37 C39 116.3(13) . .
O16 C37 C39 117.2(13) . .
N8 C38 C39 122.9(14) . .
N8 C38 H38 118.5 . .
C39 C38 H38 118.5 . .
C40 C39 C38 117.3(13) . .
C40 C39 C37 124.4(13) . .
C38 C39 C37 118.3(13) . .
C41 C40 C39 119.2(14) . .
C41 C40 H40 120.4 . .
C39 C40 H40 120.4 . .
C40 C41 C42 121.1(14) . .
C40 C41 H41 119.5 . .
C42 C41 H41 119.5 . .
N8 C42 C41 121.0(13) . .
N8 C42 C43 114.3(13) . .
C41 C42 C43 124.7(13) . .
N7 C43 C44 122.9(13) . .
N7 C43 C42 115.7(12) . .
C44 C43 C42 121.3(13) . .
C45 C44 C43 117.5(14) . .
C45 C44 H44 121.3 . .
C43 C44 H44 121.3 . .
C44 C45 C46 120.4(14) . .
C44 C45 H45 119.8 . .
C46 C45 H45 119.8 . .
C45 C46 C47 117.2(13) . .
C45 C46 C48 120.9(13) . .
C47 C46 C48 121.5(13) . .
N7 C47 C46 123.5(14) . .
N7 C47 H47 118.2 . .
C46 C47 H47 118.2 . .
O13 C48 O14 127.9(14) . .
O13 C48 C46 114.6(13) . .
O14 C48 C46 117.4(13) . .
O20 C49 O19 122.7(14) . .
O20 C49 C51 119.6(14) . .
O19 C49 C51 117.7(13) . .
O20 C49 Dy2 64.5(8) . .
O19 C49 Dy2 58.6(8) . .
C51 C49 Dy2 172.3(11) . .
N11 C50 C51 122.8(14) . .
N11 C50 H50 118.6 . .
C51 C50 H50 118.6 . .
C52 C51 C50 117.8(14) . .
C52 C51 C49 124.8(14) . .
C50 C51 C49 117.4(13) . .
C51 C52 C53 119.8(15) . .
C51 C52 H52 120.1 . .
C53 C52 H52 120.1 . .
C54 C53 C52 119.5(15) . .
C54 C53 H53 120.3 . .
C52 C53 H53 120.3 . .
N11 C54 C53 121.7(13) . .
N11 C54 C55 114.4(13) . .
C53 C54 C55 123.8(14) . .
N12 C55 C56 121.8(14) . .
N12 C55 C54 114.5(13) . .
C56 C55 C54 123.7(14) . .
C55 C56 C57 119.7(14) . .
C55 C56 H56 120.1 . .
C57 C56 H56 120.1 . .
C58 C57 C56 118.6(14) . .
C58 C57 H57 120.7 . .
C56 C57 H57 120.7 . .
C57 C58 C59 118.5(14) . .
C57 C58 C60 121.0(14) . .
C59 C58 C60 120.3(14) . .
N12 C59 C58 123.0(14) . .
N12 C59 H59 118.5 . .
C58 C59 H59 118.5 . .
O18 C60 O17 121.7(14) . .
O18 C60 C58 120.5(14) . .
O17 C60 C58 117.8(13) . .
O18 C60 Dy2 61.8(8) . 2_565
O17 C60 Dy2 60.5(8) . 2_565
C58 C60 Dy2 169.9(11) . 2_565
O22 C61 O21 127.1(15) . .
O22 C61 C63 118.7(14) . .
O21 C61 C63 114.1(13) . .
N9 C62 C63 123.3(14) . .
N9 C62 H62 118.4 . .
C63 C62 H62 118.4 . .
C64 C63 C62 118.6(14) . .
C64 C63 C61 124.7(14) . .
C62 C63 C61 116.7(13) . .
C63 C64 C65 119.4(15) . .
C63 C64 H64 120.3 . .
C65 C64 H64 120.3 . .
C64 C65 C66 119.0(14) . .
C64 C65 H65 120.5 . .
C66 C65 H65 120.5 . .
N9 C66 C65 122.4(14) . .
N9 C66 C67 114.4(13) . .
C65 C66 C67 123.1(14) . .
N10 C67 C68 120.8(14) . .
N10 C67 C66 116.2(13) . .
C68 C67 C66 123.0(14) . .
C69 C68 C67 119.1(14) . .
C69 C68 H68 120.5 . .
C67 C68 H68 120.5 . .
C68 C69 C70 120.0(14) . .
C68 C69 H69 120.0 . .
C70 C69 H69 120.0 . .
C71 C70 C69 118.1(14) . .
C71 C70 C72 121.0(14) . 7_655
C69 C70 C72 120.8(13) . 7_655
N10 C71 C70 123.5(14) . .
N10 C71 H71 118.3 . .
C70 C71 H71 118.3 . .
O23 C72 O24 125.6(14) . .
O23 C72 C70 119.7(13) . 7_665
O24 C72 C70 114.6(13) . 7_665
O31 Cl1 O47 108.7(7) . .
O31 Cl1 O32 109.6(7) . .
O47 Cl1 O32 110.0(7) . .
O31 Cl1 O30 107.5(7) . .
O47 Cl1 O30 111.6(7) . .
O32 Cl1 O30 109.3(7) . .
O34 Cl2 O33 122(2) . .
O34 Cl2 O36 113(2) . .
O33 Cl2 O36 115.0(16) . .
O34 Cl2 O36' 69(2) . .
O33 Cl2 O36' 161(2) . .
O36 Cl2 O36' 47.9(17) . .
O34 Cl2 O35 100(2) . .
O33 Cl2 O35 97.0(13) . .
O36 Cl2 O35 104.4(13) . .
O36' Cl2 O35 95.3(18) . .
O34 Cl2 O34' 32.8(18) . .
O33 Cl2 O34' 92.2(16) . .
O36 Cl2 O34' 125.0(16) . .
O36' Cl2 O34' 94(2) . .
O35 Cl2 O34' 119.3(13) . .
O34 Cl2 O33' 119(2) . .
O33 Cl2 O33' 65.8(18) . .
O36 Cl2 O33' 59.6(17) . .
O36' Cl2 O33' 96(2) . .
O35 Cl2 O33' 141.7(17) . .
O34' Cl2 O33' 96.3(19) . .
C35 N1 C31 119.3(12) . .
C35 N1 Co5 126.3(10) . 3
C31 N1 Co5 114.4(9) . 3
C26 N2 C30 121.2(13) . .
C26 N2 Co5 123.8(10) . 3
C30 N2 Co5 114.8(9) . 3
C23 N3 C19 119.1(12) . .
C23 N3 Co5 126.4(10) . 8_566
C19 N3 Co5 114.4(9) . 8_566
C18 N4 C14 118.1(12) . .
C18 N4 Co5 114.0(9) . 8_566
C14 N4 Co5 127.7(10) . 8_566
C2 N5 C6 118.8(12) . .
C2 N5 Co5 127.8(10) . .
C6 N5 Co5 113.2(9) . .
C11 N6 C7 119.0(12) . .
C11 N6 Co5 129.0(10) . .
C7 N6 Co5 111.0(9) . .
C47 N7 C43 118.1(13) . .
C47 N7 Co4 126.6(10) . .
C43 N7 Co4 114.7(9) . .
C38 N8 C42 118.3(13) . .
C38 N8 Co4 127.1(10) . .
C42 N8 Co4 114.5(9) . .
C62 N9 C66 117.3(13) . .
C62 N9 Co4 126.9(10) . 8_565
C66 N9 Co4 115.4(10) . 8_565
C71 N10 C67 118.5(13) . .
C71 N10 Co4 127.4(10) . 8_565
C67 N10 Co4 113.2(9) . 8_565
C50 N11 C54 118.4(13) . .
C50 N11 Co4 124.6(11) . .
C54 N11 Co4 116.9(10) . .
C59 N12 C55 118.3(13) . .
C59 N12 Co4 125.0(10) . .
C55 N12 Co4 116.6(10) . .
C1 O2 Dy1 141.1(9) . .
C12 O3 Dy1 172.9(9) . 5_565
C12 O4 Dy3 118.4(8) . .
C13 O6 Dy3 148.6(9) . 1_556
C24 O7 Dy1 130.6(9) . .
C24 O8 Dy3 157.4(9) . 5_565
C36 O9 Dy2 93.3(9) . .
C36 O10 Dy2 88.0(9) . .
C25 O12 Dy2 138.1(10) . .
C48 O13 Dy1 167.9(10) . .
C48 O14 Dy3 122.3(9) . 5_565
C37 O15 Dy3 150.4(10) . 3
C60 O17 Dy2 92.7(9) . 2_565
C60 O18 Dy2 91.9(9) . 2_565
C49 O19 Dy2 95.0(9) . .
C49 O20 Dy2 89.0(9) . .
C61 O21 Dy1 144.5(10) . .
C72 O23 Dy1 128.9(9) . .
C72 O24 Dy3 161.2(10) . 5_565
Dy2 O25 H25B 125.0 . .
Dy2 O25 H25A 123.5 . .
H25B O25 H25A 109.6 . .
Dy2 O26 H26A 143.8 . .
Dy2 O26 H26B 103.5 . .
H26A O26 H26B 107.7 . .
Dy1 O27 H27A 113.5 . .
Dy1 O27 H27B 114.1 . .
H27A O27 H27B 111.6 . .
Dy1 O28 H28A 112.9 . .
Dy1 O28 H28B 124.1 . .
H28A O28 H28B 107.7 . .
Dy3 O29 H29A 159.8 . .
Dy3 O29 H3 91.8 . .
H29A O29 H3 107.7 . .
H37A O37 H37B 111.2 . .
H38A O38 H38B 110.8 . .
H39B O39 H39A 112.8 . .
H40A O40 H40B 107.7 . .
H41A O41 H41B 110.9 . .
H42B O42 H42A 100.6 . .
H43A O43 H43B 108.0 . .
H44A O44 H44B 111.4 . .
H45B O45 H45A 107.7 . .
H46A O46 H46B 109.9 . .
H48B O48 H48A 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O13 2.256(10) .
Dy1 O3 2.271(9) 5_565
Dy1 O21 2.302(10) .
Dy1 O2 2.303(10) .
Dy1 O7 2.402(9) .
Dy1 O28 2.417(10) .
Dy1 O23 2.423(10) .
Dy1 O27 2.632(11) .
Dy2 O12 2.248(10) .
Dy2 O19 2.395(10) .
Dy2 O9 2.412(10) .
Dy2 O17 2.425(10) 2_564
Dy2 O25 2.434(10) .
Dy2 O26 2.452(11) .
Dy2 O18 2.453(10) 2_564
Dy2 O20 2.525(10) .
Dy2 O10 2.544(10) .
Dy2 C60 2.782(15) 2_564
Dy2 C36 2.784(15) .
Dy2 C49 2.796(15) .
Dy3 O24 2.213(10) 5_565
Dy3 O8 2.272(9) 5_565
Dy3 O6 2.299(9) 1_554
Dy3 O15 2.322(10) 3_455
Dy3 O29 2.353(11) .
Dy3 O14 2.377(10) 5_565
Dy3 O4 2.569(9) .
Dy3 H3 2.5268 .
Co4 N11 2.089(13) .
Co4 N7 2.096(12) .
Co4 N12 2.099(13) .
Co4 N9 2.108(13) 8_566
Co4 N10 2.111(12) 8_566
Co4 N8 2.128(12) .
Co5 N2 1.919(12) 3_455
Co5 N3 1.936(12) 8_565
Co5 N1 1.943(12) 3_455
Co5 N5 1.944(12) .
Co5 N6 1.955(11) .
Co5 N4 1.955(12) 8_565
C1 O1 1.242(17) .
C1 O2 1.244(17) .
C1 C3 1.540(19) .
C2 N5 1.352(18) .
C2 C3 1.39(2) .
C2 H2 0.9300 .
C3 C4 1.38(2) .
C4 C5 1.351(19) .
C4 H4 0.9300 .
C5 C6 1.38(2) .
C5 H5 0.9300 .
C6 N5 1.353(18) .
C6 C7 1.481(19) .
C7 N6 1.366(18) .
C7 C8 1.385(19) .
C8 C9 1.365(19) .
C8 H8 0.9300 .
C9 C10 1.381(19) .
C9 H9 0.9300 .
C10 C11 1.404(19) .
C10 C12 1.521(19) .
C11 N6 1.326(18) .
C11 H11 0.9300 .
C12 O3 1.237(16) .
C12 O4 1.260(17) .
C13 O5 1.241(17) .
C13 O6 1.256(17) .
C13 C15 1.513(19) .
C14 N4 1.360(17) .
C14 C15 1.370(19) .
C14 H14 0.9300 .
C15 C16 1.375(19) .
C16 C17 1.400(19) .
C16 H16 0.9300 .
C17 C18 1.380(19) .
C17 H17 0.9300 .
C18 N4 1.353(18) .
C18 C19 1.468(19) .
C19 N3 1.342(18) .
C19 C20 1.393(19) .
C20 C21 1.410(19) .
C20 H20 0.9300 .
C21 C22 1.37(2) .
C21 H21 0.9300 .
C22 C23 1.385(19) .
C22 C24 1.516(19) .
C23 N3 1.339(18) .
C23 H23 0.9300 .
C24 O8 1.237(17) .
C24 O7 1.255(17) .
C25 O12 1.246(18) .
C25 O11 1.253(18) .
C25 C27 1.53(2) .
C26 N2 1.333(19) .
C26 C27 1.40(2) .
C26 H26 0.9300 .
C27 C28 1.37(2) .
C28 C29 1.38(2) .
C28 H28 0.9300 .
C29 C30 1.37(2) .
C29 H29 0.9300 .
C30 N2 1.364(19) .
C30 C31 1.49(2) .
C31 C32 1.35(2) .
C31 N1 1.360(18) .
C32 C33 1.407(19) .
C32 H32 0.9300 .
C33 C34 1.38(2) .
C33 H33 0.9300 .
C34 C35 1.39(2) .
C34 C36 1.52(2) 4_645
C35 N1 1.340(18) .
C35 H35 0.9300 .
C36 O10 1.224(17) .
C36 O9 1.261(17) .
C36 C34 1.52(2) 4_655
C37 O15 1.242(18) .
C37 O16 1.272(18) .
C37 C39 1.51(2) .
C38 N8 1.339(19) .
C38 C39 1.41(2) .
C38 H38 0.9300 .
C39 C40 1.39(2) .
C40 C41 1.36(2) .
C40 H40 0.9300 .
C41 C42 1.38(2) .
C41 H41 0.9300 .
C42 N8 1.361(19) .
C42 C43 1.49(2) .
C43 N7 1.348(19) .
C43 C44 1.39(2) .
C44 C45 1.39(2) .
C44 H44 0.9300 .
C45 C46 1.39(2) .
C45 H45 0.9300 .
C46 C47 1.40(2) .
C46 C48 1.51(2) .
C47 N7 1.334(19) .
C47 H47 0.9300 .
C48 O13 1.230(17) .
C48 O14 1.245(17) .
C49 O20 1.246(18) .
C49 O19 1.250(18) .
C49 C51 1.50(2) .
C50 N11 1.329(19) .
C50 C51 1.40(2) .
C50 H50 0.9300 .
C51 C52 1.37(2) .
C52 C53 1.38(2) .
C52 H52 0.9300 .
C53 C54 1.37(2) .
C53 H53 0.9300 .
C54 N11 1.354(19) .
C54 C55 1.49(2) .
C55 N12 1.348(19) .
C55 C56 1.38(2) .
C56 C57 1.39(2) .
C56 H56 0.9300 .
C57 C58 1.38(2) .
C57 H57 0.9300 .
C58 C59 1.39(2) .
C58 C60 1.51(2) .
C59 N12 1.340(19) .
C59 H59 0.9300 .
C60 O18 1.235(18) .
C60 O17 1.256(18) .
C60 Dy2 2.782(15) 2_565
C61 O22 1.220(18) .
C61 O21 1.266(19) .
C61 C63 1.52(2) .
C62 N9 1.345(19) .
C62 C63 1.40(2) .
C62 H62 0.9300 .
C63 C64 1.36(2) .
C64 C65 1.39(2) .
C64 H64 0.9300 .
C65 C66 1.39(2) .
C65 H65 0.9300 .
C66 N9 1.349(19) .
C66 C67 1.48(2) .
C67 N10 1.368(19) .
C67 C68 1.39(2) .
C68 C69 1.38(2) .
C68 H68 0.9300 .
C69 C70 1.38(2) .
C69 H69 0.9300 .
C70 C71 1.38(2) .
C70 C72 1.50(2) 7_655
C71 N10 1.333(19) .
C71 H71 0.9300 .
C72 O23 1.237(18) .
C72 O24 1.270(18) .
C72 C70 1.50(2) 7_665
Cl1 O31 1.426(12) .
Cl1 O47 1.428(12) .
Cl1 O32 1.432(12) .
Cl1 O30 1.442(11) .
Cl2 O34 1.37(4) .
Cl2 O33 1.38(3) .
Cl2 O36 1.40(3) .
Cl2 O36' 1.44(4) .
Cl2 O35 1.480(17) .
Cl2 O34' 1.49(3) .
Cl2 O33' 1.60(4) .
N1 Co5 1.943(12) 3
N2 Co5 1.919(12) 3
N3 Co5 1.936(12) 8_566
N4 Co5 1.955(12) 8_566
N9 Co4 2.108(13) 8_565
N10 Co4 2.111(12) 8_565
O3 Dy1 2.271(9) 5_565
O6 Dy3 2.299(9) 1_556
O8 Dy3 2.272(9) 5_565
O14 Dy3 2.377(10) 5_565
O15 Dy3 2.322(10) 3
O17 Dy2 2.425(10) 2_565
O18 Dy2 2.453(10) 2_565
O24 Dy3 2.213(10) 5_565
O25 H25B 0.8454 .
O25 H25A 0.8775 .
O26 H26A 0.8500 .
O26 H26B 0.8504 .
O27 H27A 0.8433 .
O27 H27B 0.8430 .
O28 H28A 0.8494 .
O28 H28B 0.8502 .
O29 H29A 0.8501 .
O29 H3 0.8502 .
O37 H37A 0.8452 .
O37 H37B 0.8436 .
O38 H38A 0.8559 .
O38 H38B 0.8473 .
O39 H39B 0.8350 .
O39 H39A 0.8347 .
O40 H40A 0.8499 .
O40 H40B 0.8502 .
O41 H41A 0.8434 .
O41 H41B 0.8464 .
O42 H42B 0.8735 .
O42 H42A 0.9280 .
O43 H43A 0.8558 .
O43 H43B 0.9556 .
O44 H44A 0.8591 .
O44 H44B 0.8454 .
O45 H45B 0.8500 .
O45 H45A 0.8502 .
O46 H46A 0.8636 .
O46 H46B 0.8551 .
O48 H48B 0.8500 .
O48 H48A 0.8502 .
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
N5 C2 C3 C4 5(2) . .
N5 C2 C3 C1 -175.2(13) . .
O1 C1 C3 C4 147.6(14) . .
O2 C1 C3 C4 -29.0(19) . .
O1 C1 C3 C2 -32(2) . .
O2 C1 C3 C2 151.5(14) . .
C2 C3 C4 C5 -4(2) . .
C1 C3 C4 C5 176.3(13) . .
C3 C4 C5 C6 0(2) . .
C4 C5 C6 N5 4(2) . .
C4 C5 C6 C7 -175.1(13) . .
N5 C6 C7 N6 -2.6(18) . .
C5 C6 C7 N6 176.2(13) . .
N5 C6 C7 C8 176.0(13) . .
C5 C6 C7 C8 -5(2) . .
N6 C7 C8 C9 -3(2) . .
C6 C7 C8 C9 178.4(13) . .
C7 C8 C9 C10 0(2) . .
C8 C9 C10 C11 2(2) . .
C8 C9 C10 C12 -177.4(13) . .
C9 C10 C11 N6 -1(2) . .
C12 C10 C11 N6 178.5(12) . .
C9 C10 C12 O3 9.5(19) . .
C11 C10 C12 O3 -170.4(13) . .
C9 C10 C12 O4 -173.3(13) . .
C11 C10 C12 O4 7(2) . .
N4 C14 C15 C16 0(2) . .
N4 C14 C15 C13 -176.5(13) . .
O5 C13 C15 C14 23.5(19) . .
O6 C13 C15 C14 -156.5(13) . .
O5 C13 C15 C16 -153.3(13) . .
O6 C13 C15 C16 27(2) . .
C14 C15 C16 C17 1(2) . .
C13 C15 C16 C17 177.4(13) . .
C15 C16 C17 C18 1(2) . .
C16 C17 C18 N4 -3(2) . .
C16 C17 C18 C19 176.1(13) . .
N4 C18 C19 N3 -2.4(17) . .
C17 C18 C19 N3 178.2(13) . .
N4 C18 C19 C20 173.5(13) . .
C17 C18 C19 C20 -6(2) . .
N3 C19 C20 C21 4(2) . .
C18 C19 C20 C21 -171.7(13) . .
C19 C20 C21 C22 1(2) . .
C20 C21 C22 C23 -5(2) . .
C20 C21 C22 C24 177.2(12) . .
C21 C22 C23 N3 5(2) . .
C24 C22 C23 N3 -177.8(12) . .
C21 C22 C24 O8 -2.6(19) . .
C23 C22 C24 O8 179.8(13) . .
C21 C22 C24 O7 178.8(13) . .
C23 C22 C24 O7 1.2(19) . .
N2 C26 C27 C28 0(2) . .
N2 C26 C27 C25 -179.1(13) . .
O12 C25 C27 C28 -4(2) . .
O11 C25 C27 C28 175.5(15) . .
O12 C25 C27 C26 175.4(13) . .
O11 C25 C27 C26 -5(2) . .
C26 C27 C28 C29 1(2) . .
C25 C27 C28 C29 -179.3(14) . .
C27 C28 C29 C30 -2(2) . .
C28 C29 C30 N2 0(2) . .
C28 C29 C30 C31 175.7(14) . .
N2 C30 C31 C32 175.9(14) . .
C29 C30 C31 C32 0(2) . .
N2 C30 C31 N1 -1.8(18) . .
C29 C30 C31 N1 -177.9(14) . .
N1 C31 C32 C33 4(2) . .
C30 C31 C32 C33 -174.0(13) . .
C31 C32 C33 C34 0(2) . .
C32 C33 C34 C35 -2(2) . .
C32 C33 C34 C36 -179.8(13) . 4_645
C33 C34 C35 N1 1(2) . .
C36 C34 C35 N1 179.1(13) 4_645 .
O12 Dy2 C36 O10 101.0(9) . .
O19 Dy2 C36 O10 -104.0(9) . .
O9 Dy2 C36 O10 -161.9(14) . .
O17 Dy2 C36 O10 -33.4(9) 2_564 .
O25 Dy2 C36 O10 102.9(9) . .
O26 Dy2 C36 O10 174.7(8) . .
O18 Dy2 C36 O10 19.0(9) 2_564 .
O20 Dy2 C36 O10 -104.6(8) . .
C60 Dy2 C36 O10 -8.3(9) 2_564 .
C49 Dy2 C36 O10 -102.3(9) . .
O12 Dy2 C36 O9 -97.1(9) . .
O19 Dy2 C36 O9 57.9(11) . .
O17 Dy2 C36 O9 128.5(8) 2_564 .
O25 Dy2 C36 O9 -95.2(10) . .
O26 Dy2 C36 O9 -23.4(9) . .
O18 Dy2 C36 O9 -179.1(8) 2_564 .
O20 Dy2 C36 O9 57.3(8) . .
O10 Dy2 C36 O9 161.9(14) . .
C60 Dy2 C36 O9 153.6(8) 2_564 .
C49 Dy2 C36 O9 59.6(9) . .
O12 Dy2 C36 C34 -14(3) . 4_655
O19 Dy2 C36 C34 141(3) . 4_655
O9 Dy2 C36 C34 83(3) . 4_655
O17 Dy2 C36 C34 -148(3) 2_564 4_655
O25 Dy2 C36 C34 -12(3) . 4_655
O26 Dy2 C36 C34 60(3) . 4_655
O18 Dy2 C36 C34 -96(3) 2_564 4_655
O20 Dy2 C36 C34 141(3) . 4_655
O10 Dy2 C36 C34 -115(3) . 4_655
C60 Dy2 C36 C34 -123(3) 2_564 4_655
C49 Dy2 C36 C34 143(3) . 4_655
N8 C38 C39 C40 -2(2) . .
N8 C38 C39 C37 177.2(13) . .
O15 C37 C39 C40 10(2) . .
O16 C37 C39 C40 -169.8(14) . .
O15 C37 C39 C38 -169.0(13) . .
O16 C37 C39 C38 11(2) . .
C38 C39 C40 C41 3(2) . .
C37 C39 C40 C41 -175.8(14) . .
C39 C40 C41 C42 -1(2) . .
C40 C41 C42 N8 -3(2) . .
C40 C41 C42 C43 174.5(14) . .
N8 C42 C43 N7 4.6(19) . .
C41 C42 C43 N7 -173.3(14) . .
N8 C42 C43 C44 -177.9(13) . .
C41 C42 C43 C44 4(2) . .
N7 C43 C44 C45 6(2) . .
C42 C43 C44 C45 -171.1(13) . .
C43 C44 C45 C46 -2(2) . .
C44 C45 C46 C47 -3(2) . .
C44 C45 C46 C48 170.5(13) . .
C45 C46 C47 N7 3(2) . .
C48 C46 C47 N7 -170.1(13) . .
C45 C46 C48 O13 -8(2) . .
C47 C46 C48 O13 164.8(13) . .
C45 C46 C48 O14 172.1(13) . .
C47 C46 C48 O14 -15(2) . .
O12 Dy2 C49 O20 93.9(13) . .
O19 Dy2 C49 O20 172.6(15) . .
O9 Dy2 C49 O20 18.2(9) . .
O17 Dy2 C49 O20 -90.1(9) 2_564 .
O25 Dy2 C49 O20 160.4(8) . .
O26 Dy2 C49 O20 88.2(9) . .
O18 Dy2 C49 O20 -127.1(8) 2_564 .
O10 Dy2 C49 O20 -34.5(10) . .
C60 Dy2 C49 O20 -110.6(9) 2_564 .
C36 Dy2 C49 O20 -5.2(10) . .
O12 Dy2 C49 O19 -78.7(14) . .
O9 Dy2 C49 O19 -154.4(8) . .
O17 Dy2 C49 O19 97.3(9) 2_564 .
O25 Dy2 C49 O19 -12.2(9) . .
O26 Dy2 C49 O19 -84.4(9) . .
O18 Dy2 C49 O19 60.3(9) 2_564 .
O20 Dy2 C49 O19 -172.6(15) . .
O10 Dy2 C49 O19 152.9(8) . .
C60 Dy2 C49 O19 76.8(9) 2_564 .
C36 Dy2 C49 O19 -177.8(8) . .
O12 Dy2 C49 C51 -142(8) . .
O19 Dy2 C49 C51 -63(8) . .
O9 Dy2 C49 C51 143(8) . .
O17 Dy2 C49 C51 34(8) 2_564 .
O25 Dy2 C49 C51 -75(8) . .
O26 Dy2 C49 C51 -147(8) . .
O18 Dy2 C49 C51 -3(8) 2_564 .
O20 Dy2 C49 C51 124(8) . .
O10 Dy2 C49 C51 90(8) . .
C60 Dy2 C49 C51 14(8) 2_564 .
C36 Dy2 C49 C51 119(8) . .
N11 C50 C51 C52 -2(2) . .
N11 C50 C51 C49 177.0(14) . .
O20 C49 C51 C52 7(2) . .
O19 C49 C51 C52 -173.7(14) . .
Dy2 C49 C51 C52 -114(8) . .
O20 C49 C51 C50 -172.9(14) . .
O19 C49 C51 C50 7(2) . .
Dy2 C49 C51 C50 66(9) . .
C50 C51 C52 C53 1(2) . .
C49 C51 C52 C53 -178.9(14) . .
C51 C52 C53 C54 -1(2) . .
C52 C53 C54 N11 2(2) . .
C52 C53 C54 C55 177.2(14) . .
N11 C54 C55 N12 6.4(19) . .
C53 C54 C55 N12 -168.7(14) . .
N11 C54 C55 C56 -173.1(14) . .
C53 C54 C55 C56 12(2) . .
N12 C55 C56 C57 1(2) . .
C54 C55 C56 C57 -179.1(14) . .
C55 C56 C57 C58 1(2) . .
C56 C57 C58 C59 -2(2) . .
C56 C57 C58 C60 174.2(14) . .
C57 C58 C59 N12 0(2) . .
C60 C58 C59 N12 -175.6(14) . .
C57 C58 C60 O18 32(2) . .
C59 C58 C60 O18 -152.3(15) . .
C57 C58 C60 O17 -146.2(15) . .
C59 C58 C60 O17 30(2) . .
C57 C58 C60 Dy2 -69(7) . 2_565
C59 C58 C60 Dy2 107(6) . 2_565
N9 C62 C63 C64 0(2) . .
N9 C62 C63 C61 179.5(14) . .
O22 C61 C63 C64 -171.7(15) . .
O21 C61 C63 C64 7(2) . .
O22 C61 C63 C62 9(2) . .
O21 C61 C63 C62 -172.9(14) . .
C62 C63 C64 C65 0(2) . .
C61 C63 C64 C65 -179.5(14) . .
C63 C64 C65 C66 -1(2) . .
C64 C65 C66 N9 2(2) . .
C64 C65 C66 C67 -175.9(14) . .
N9 C66 C67 N10 -3.7(19) . .
C65 C66 C67 N10 174.1(14) . .
N9 C66 C67 C68 178.9(14) . .
C65 C66 C67 C68 -3(2) . .
N10 C67 C68 C69 -2(2) . .
C66 C67 C68 C69 175.1(14) . .
C67 C68 C69 C70 -1(2) . .
C68 C69 C70 C71 3(2) . .
C68 C69 C70 C72 -175.4(14) . 7_655
C69 C70 C71 N10 -1(2) . .
C72 C70 C71 N10 176.7(14) 7_655 .
C34 C35 N1 C31 2(2) . .
C34 C35 N1 Co5 -177.8(10) . 3
C32 C31 N1 C35 -5(2) . .
C30 C31 N1 C35 173.3(12) . .
C32 C31 N1 Co5 175.3(11) . 3
C30 C31 N1 Co5 -6.9(15) . 3
C27 C26 N2 C30 -2(2) . .
C27 C26 N2 Co5 173.4(11) . 3
C29 C30 N2 C26 2(2) . .
C31 C30 N2 C26 -174.6(12) . .
C29 C30 N2 Co5 -173.8(11) . 3
C31 C30 N2 Co5 9.8(16) . 3
C22 C23 N3 C19 0(2) . .
C22 C23 N3 Co5 177.7(10) . 8_566
C20 C19 N3 C23 -5(2) . .
C18 C19 N3 C23 171.4(12) . .
C20 C19 N3 Co5 177.7(11) . 8_566
C18 C19 N3 Co5 -6.4(15) . 8_566
C17 C18 N4 C14 4(2) . .
C19 C18 N4 C14 -175.3(12) . .
C17 C18 N4 Co5 -170.6(11) . 8_566
C19 C18 N4 Co5 9.9(15) . 8_566
C15 C14 N4 C18 -3(2) . .
C15 C14 N4 Co5 171.2(10) . 8_566
C3 C2 N5 C6 -2(2) . .
C3 C2 N5 Co5 -175.4(10) . .
C5 C6 N5 C2 -3(2) . .
C7 C6 N5 C2 176.3(12) . .
C5 C6 N5 Co5 171.9(11) . .
C7 C6 N5 Co5 -9.3(15) . .
N2 Co5 N5 C2 -145(6) 3_455 .
N3 Co5 N5 C2 15.0(12) 8_565 .
N1 Co5 N5 C2 -82.0(12) 3_455 .
N6 Co5 N5 C2 -173.1(12) . .
N4 Co5 N5 C2 97.0(12) 8_565 .
N2 Co5 N5 C6 41(7) 3_455 .
N3 Co5 N5 C6 -158.8(10) 8_565 .
N1 Co5 N5 C6 104.2(10) 3_455 .
N6 Co5 N5 C6 13.1(10) . .
N4 Co5 N5 C6 -76.8(10) 8_565 .
C10 C11 N6 C7 -2(2) . .
C10 C11 N6 Co5 165.8(10) . .
C8 C7 N6 C11 4(2) . .
C6 C7 N6 C11 -177.3(12) . .
C8 C7 N6 Co5 -165.7(11) . .
C6 C7 N6 Co5 13.0(15) . .
N2 Co5 N6 C11 -0.5(12) 3_455 .
N3 Co5 N6 C11 -96(4) 8_565 .
N1 Co5 N6 C11 82.7(12) 3_455 .
N5 Co5 N6 C11 177.3(12) . .
N4 Co5 N6 C11 -96.4(12) 8_565 .
N2 Co5 N6 C7 168.0(9) 3_455 .
N3 Co5 N6 C7 72(4) 8_565 .
N1 Co5 N6 C7 -108.8(10) 3_455 .
N5 Co5 N6 C7 -14.2(9) . .
N4 Co5 N6 C7 72.1(9) 8_565 .
C46 C47 N7 C43 1(2) . .
C46 C47 N7 Co4 -169.5(11) . .
C44 C43 N7 C47 -6(2) . .
C42 C43 N7 C47 171.5(13) . .
C44 C43 N7 Co4 165.9(11) . .
C42 C43 N7 Co4 -16.7(16) . .
N11 Co4 N7 C47 -76.7(12) . .
N12 Co4 N7 C47 1.0(12) . .
N9 Co4 N7 C47 100.1(12) 8_566 .
N10 Co4 N7 C47 146.4(16) 8_566 .
N8 Co4 N7 C47 -172.5(13) . .
N11 Co4 N7 C43 112.4(10) . .
N12 Co4 N7 C43 -169.9(10) . .
N9 Co4 N7 C43 -70.9(10) 8_566 .
N10 Co4 N7 C43 -24(2) 8_566 .
N8 Co4 N7 C43 16.6(10) . .
C39 C38 N8 C42 -2(2) . .
C39 C38 N8 Co4 174.6(11) . .
C41 C42 N8 C38 5(2) . .
C43 C42 N8 C38 -173.5(13) . .
C41 C42 N8 Co4 -172.4(11) . .
C43 C42 N8 Co4 9.6(16) . .
N11 Co4 N8 C38 73.1(13) . .
N7 Co4 N8 C38 169.4(13) . .
N12 Co4 N8 C38 132(2) . .
N9 Co4 N8 C38 -98.5(12) 8_566 .
N10 Co4 N8 C38 -21.0(12) 8_566 .
N11 Co4 N8 C42 -110.3(10) . .
N7 Co4 N8 C42 -14.0(10) . .
N12 Co4 N8 C42 -52(3) . .
N9 Co4 N8 C42 78.1(10) 8_566 .
N10 Co4 N8 C42 155.7(10) 8_566 .
C63 C62 N9 C66 1(2) . .
C63 C62 N9 Co4 -171.8(11) . 8_565
C65 C66 N9 C62 -2(2) . .
C67 C66 N9 C62 176.1(13) . .
C65 C66 N9 Co4 171.8(11) . 8_565
C67 C66 N9 Co4 -10.3(16) . 8_565
C70 C71 N10 C67 -2(2) . .
C70 C71 N10 Co4 167.1(11) . 8_565
C68 C67 N10 C71 3(2) . .
C66 C67 N10 C71 -174.0(13) . .
C68 C67 N10 Co4 -166.9(11) . 8_565
C66 C67 N10 Co4 15.7(16) . 8_565
C51 C50 N11 C54 4(2) . .
C51 C50 N11 Co4 -171.1(11) . .
C53 C54 N11 C50 -4(2) . .
C55 C54 N11 C50 -179.4(13) . .
C53 C54 N11 Co4 171.5(11) . .
C55 C54 N11 Co4 -3.7(17) . .
N7 Co4 N11 C50 -91.6(12) . .
N12 Co4 N11 C50 175.9(13) . .
N9 Co4 N11 C50 108(3) 8_566 .
N10 Co4 N11 C50 77.6(12) 8_566 .
N8 Co4 N11 C50 -13.4(13) . .
N7 Co4 N11 C54 93.1(11) . .
N12 Co4 N11 C54 0.5(11) . .
N9 Co4 N11 C54 -68(3) 8_566 .
N10 Co4 N11 C54 -97.8(11) 8_566 .
N8 Co4 N11 C54 171.3(11) . .
C58 C59 N12 C55 2(2) . .
C58 C59 N12 Co4 -173.9(11) . .
C56 C55 N12 C59 -3(2) . .
C54 C55 N12 C59 177.7(13) . .
C56 C55 N12 Co4 173.4(11) . .
C54 C55 N12 Co4 -6.1(17) . .
N11 Co4 N12 C59 179.1(13) . .
N7 Co4 N12 C59 82.1(12) . .
N9 Co4 N12 C59 -10.2(13) 8_566 .
N10 Co4 N12 C59 -88.8(12) 8_566 .
N8 Co4 N12 C59 119(3) . .
N11 Co4 N12 C55 3.3(11) . .
N7 Co4 N12 C55 -93.7(11) . .
N9 Co4 N12 C55 174.0(11) 8_566 .
N10 Co4 N12 C55 95.3(11) 8_566 .
N8 Co4 N12 C55 -57(3) . .
O1 C1 O2 Dy1 3(3) . .
C3 C1 O2 Dy1 179.2(9) . .
O13 Dy1 O2 C1 -68.7(17) . .
O3 Dy1 O2 C1 -171.0(15) 5_565 .
O21 Dy1 O2 C1 48.7(15) . .
O7 Dy1 O2 C1 -97.4(15) . .
O28 Dy1 O2 C1 -22.8(15) . .
O23 Dy1 O2 C1 122.1(14) . .
O27 Dy1 O2 C1 114.3(15) . .
O4 C12 O3 Dy1 -55(8) . 5_565
C10 C12 O3 Dy1 122(7) . 5_565
O3 C12 O4 Dy3 5.0(18) . .
C10 C12 O4 Dy3 -171.9(9) . .
O24 Dy3 O4 C12 -56.5(9) 5_565 .
O8 Dy3 O4 C12 59.0(9) 5_565 .
O6 Dy3 O4 C12 -177.9(10) 1_554 .
O15 Dy3 O4 C12 -124.4(9) 3_455 .
O29 Dy3 O4 C12 120.0(9) . .
O14 Dy3 O4 C12 5.7(12) 5_565 .
O5 C13 O6 Dy3 -144.6(13) . 1_556
C15 C13 O6 Dy3 35(2) . 1_556
O8 C24 O7 Dy1 6(2) . .
C22 C24 O7 Dy1 -175.6(8) . .
O13 Dy1 O7 C24 50.5(11) . .
O3 Dy1 O7 C24 -54.8(11) 5_565 .
O21 Dy1 O7 C24 136.6(11) . .
O2 Dy1 O7 C24 -144.6(12) . .
O28 Dy1 O7 C24 134.1(12) . .
O23 Dy1 O7 C24 -2.8(13) . .
O27 Dy1 O7 C24 -102.1(12) . .
O7 C24 O8 Dy3 -13(4) . 5_565
C22 C24 O8 Dy3 168.3(17) . 5_565
O10 C36 O9 Dy2 19.8(16) . .
C34 C36 O9 Dy2 -158.9(11) 4_655 .
O12 Dy2 O9 C36 74.1(9) . .
O19 Dy2 O9 C36 -141.5(8) . .
O17 Dy2 O9 C36 -56.6(9) 2_564 .
O25 Dy2 O9 C36 119.1(9) . .
O26 Dy2 O9 C36 155.6(9) . .
O18 Dy2 O9 C36 1.2(11) 2_564 .
O20 Dy2 O9 C36 -119.7(9) . .
O10 Dy2 O9 C36 -9.9(8) . .
C60 Dy2 O9 C36 -33.4(10) 2_564 .
C49 Dy2 O9 C36 -128.0(9) . .
O9 C36 O10 Dy2 -18.7(15) . .
C34 C36 O10 Dy2 160.0(13) 4_655 .
O12 Dy2 O10 C36 -71.0(9) . .
O19 Dy2 O10 C36 110.2(9) . .
O9 Dy2 O10 C36 10.2(8) . .
O17 Dy2 O10 C36 145.0(9) 2_564 .
O25 Dy2 O10 C36 -113.1(9) . .
O26 Dy2 O10 C36 -6.3(10) . .
O18 Dy2 O10 C36 -161.9(9) 2_564 .
O20 Dy2 O10 C36 76.7(9) . .
C60 Dy2 O10 C36 171.8(9) 2_564 .
C49 Dy2 O10 C36 91.4(9) . .
O11 C25 O12 Dy2 30(3) . .
C27 C25 O12 Dy2 -150.7(10) . .
O19 Dy2 O12 C25 113.1(15) . .
O9 Dy2 O12 C25 -119.8(15) . .
O17 Dy2 O12 C25 -15.5(17) 2_564 .
O25 Dy2 O12 C25 89.1(15) . .
O26 Dy2 O12 C25 165.2(15) . .
O18 Dy2 O12 C25 18.2(15) 2_564 .
O20 Dy2 O12 C25 -145.2(13) . .
O10 Dy2 O12 C25 -65.7(15) . .
C60 Dy2 O12 C25 6.3(16) 2_564 .
C36 Dy2 O12 C25 -92.0(15) . .
C49 Dy2 O12 C25 159.5(14) . .
O14 C48 O13 Dy1 34(6) . .
C46 C48 O13 Dy1 -146(4) . .
O3 Dy1 O13 C48 -30(5) 5_565 .
O21 Dy1 O13 C48 116(5) . .
O2 Dy1 O13 C48 -128(4) . .
O7 Dy1 O13 C48 -99(5) . .
O28 Dy1 O13 C48 -174(5) . .
O23 Dy1 O13 C48 44(4) . .
O27 Dy1 O13 C48 47(5) . .
O13 C48 O14 Dy3 -9(2) . 5_565
C46 C48 O14 Dy3 171.1(9) . 5_565
O16 C37 O15 Dy3 -12(3) . 3
C39 C37 O15 Dy3 168.5(13) . 3
O18 C60 O17 Dy2 -9.5(15) . 2_565
C58 C60 O17 Dy2 168.6(12) . 2_565
O17 C60 O18 Dy2 9.4(15) . 2_565
C58 C60 O18 Dy2 -168.7(13) . 2_565
O20 C49 O19 Dy2 -7.9(16) . .
C51 C49 O19 Dy2 172.3(12) . .
O12 Dy2 O19 C49 142.5(9) . .
O9 Dy2 O19 C49 30.9(10) . .
O17 Dy2 O19 C49 -73.9(9) 2_564 .
O25 Dy2 O19 C49 167.2(9) . .
O26 Dy2 O19 C49 90.8(9) . .
O18 Dy2 O19 C49 -123.9(9) 2_564 .
O20 Dy2 O19 C49 4.1(8) . .
O10 Dy2 O19 C49 -39.4(11) . .
C60 Dy2 O19 C49 -100.5(9) 2_564 .
C36 Dy2 O19 C49 3.3(12) . .
O19 C49 O20 Dy2 7.5(15) . .
C51 C49 O20 Dy2 -172.7(13) . .
O12 Dy2 O20 C49 -136.2(9) . .
O19 Dy2 O20 C49 -4.1(8) . .
O9 Dy2 O20 C49 -161.5(9) . .
O17 Dy2 O20 C49 80.2(9) 2_564 .
O25 Dy2 O20 C49 -22.9(10) . .
O26 Dy2 O20 C49 -87.4(9) . .
O18 Dy2 O20 C49 63.4(9) 2_564 .
O10 Dy2 O20 C49 150.0(9) . .
C60 Dy2 O20 C49 70.0(9) 2_564 .
C36 Dy2 O20 C49 175.4(9) . .
O22 C61 O21 Dy1 53(3) . .
C63 C61 O21 Dy1 -125.3(15) . .
O13 Dy1 O21 C61 100.5(17) . .
O3 Dy1 O21 C61 -140.5(16) 5_565 .
O2 Dy1 O21 C61 -51.3(17) . .
O7 Dy1 O21 C61 22(2) . .
O28 Dy1 O21 C61 24.6(17) . .
O23 Dy1 O21 C61 173.0(18) . .
O27 Dy1 O21 C61 -116.3(18) . .
O24 C72 O23 Dy1 1(2) . .
C70 C72 O23 Dy1 178.1(9) 7_665 .
O13 Dy1 O23 C72 -58.3(12) . .
O3 Dy1 O23 C72 45.6(12) 5_565 .
O21 Dy1 O23 C72 -162.7(13) . .
O2 Dy1 O23 C72 115.9(12) . .
O7 Dy1 O23 C72 -5.2(14) . .
O28 Dy1 O23 C72 -117.2(12) . .
O27 Dy1 O23 C72 123.8(13) . .
O23 C72 O24 Dy3 34(4) . 5_565
C70 C72 O24 Dy3 -143(2) 7_665 5_565
