#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:17:39 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229304 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/73/7047308.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_7047308
loop_
_publ_author_name
'Richardson, Paul'
'Hsu, Ting-Jung'
'Kuo, Che-Jung'
'Holmberg, Rebecca J.'
'Gabidullin, Bulat'
'Rouzières, Mathieu'
'Clérac, Rodolphe'
'Murugesu, Muralee'
'Lin, Po-Heng'
_publ_section_title
;
 [Ln₁₆] complexes (Ln = GdIII, DyIII):
 molecular analogues of natural minerals such as hydrotalcite.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12847
_journal_page_last               12851
_journal_paper_doi               10.1039/c8dt02609b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C114 H182 Cl15 Dy16 N27 O67'
_chemical_formula_weight         6134.61
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-14 deposited with the CCDC.
2018-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   35.8327(7)
_cell_length_b                   35.8327(7)
_cell_length_c                   28.8733(7)
_cell_measurement_reflns_used    9811
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      33.48
_cell_measurement_theta_min      2.24
_cell_volume                     32106.0(12)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.843
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            83286
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.843
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.126
_diffrn_reflns_theta_min         1.490
_exptl_absorpt_coefficient_mu    5.769
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.4484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_description       rhomboid
_exptl_crystal_F_000             17412
_exptl_crystal_size_max          0.395
_exptl_crystal_size_mid          0.385
_exptl_crystal_size_min          0.110
_refine_diff_density_max         7.486
_refine_diff_density_min         -2.680
_refine_diff_density_rms         0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         24776
_refine_ls_number_restraints     97
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1112
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0714P)²+1575.6665P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1432
_refine_ls_wR_factor_ref         0.1862
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15341
_reflns_number_total             24776
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02609b2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7047307--7047308.cif.'
_cod_original_cell_volume        32106.0(15)
_cod_database_code               7047308
_shelx_shelxl_version_number     2014/7
_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_min   0.209
_shelx_estimated_absorpt_t_max   0.569
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.81219(2) 0.49039(2) 0.47787(2) 0.03117(10) Uani 1 1 d . . . . .
Dy2 Dy 0.77530(2) 0.57128(2) 0.53576(2) 0.02962(10) Uani 1 1 d . . . . .
Dy3 Dy 0.66360(2) 0.49004(2) 0.60504(2) 0.02844(9) Uani 1 1 d . . . . .
Dy4 Dy 0.72067(2) 0.44800(2) 0.54854(2) 0.02700(9) Uani 1 1 d . . . . .
Dy5 Dy 0.78259(2) 0.39575(2) 0.54779(2) 0.02465(9) Uani 1 1 d . . . . .
Dy6 Dy 0.6667 0.3333 0.58139(2) 0.02323(13) Uani 1 3 d S T P . .
C2 C 0.8709(2) 0.4413(3) 0.4788(3) 0.0287(17) Uani 1 1 d . . . . .
C3 C 0.8700(3) 0.4061(3) 0.4590(4) 0.041(2) Uani 1 1 d . . . . .
H3 H 0.8430 0.3810 0.4535 0.050 Uiso 1 1 calc R U . . .
C4 C 0.9073(4) 0.4062(4) 0.4468(4) 0.048(3) Uani 1 1 d . . . . .
H4 H 0.9057 0.3813 0.4331 0.058 Uiso 1 1 calc R U . . .
C5 C 0.9469(4) 0.4425(4) 0.4545(5) 0.056(3) Uani 1 1 d . . . . .
H5 H 0.9728 0.4426 0.4469 0.067 Uiso 1 1 calc R U . . .
C6 C 0.9483(3) 0.4780(4) 0.4732(5) 0.053(3) Uani 1 1 d . . . . .
H6 H 0.9755 0.5030 0.4784 0.064 Uiso 1 1 calc R U . . .
C7 C 0.9112(3) 0.4788(3) 0.4849(4) 0.040(2) Uani 1 1 d . . . . .
C8 C 0.9178(3) 0.5192(3) 0.5054(4) 0.040(2) Uani 1 1 d . . . . .
C11 C 0.8707(3) 0.5787(3) 0.5414(4) 0.038(2) Uani 1 1 d . . . . .
C14 C 0.8628(4) 0.6619(3) 0.5916(4) 0.044(2) Uani 1 1 d . . . . .
C15 C 0.8349(4) 0.6762(3) 0.6071(4) 0.045(2) Uani 1 1 d . . . . .
C16 C 0.8558(4) 0.7189(3) 0.6272(4) 0.053(3) Uani 1 1 d . . . . .
H16 H 0.8864 0.7353 0.6287 0.064 Uiso 1 1 calc R U . . .
C17 C 0.8316(5) 0.7360(4) 0.6444(5) 0.064(4) Uani 1 1 d . . . . .
H17 H 0.8456 0.7642 0.6570 0.076 Uiso 1 1 calc R U . . .
C18 C 0.7869(5) 0.7122(4) 0.6435(6) 0.068(4) Uani 1 1 d . . . . .
H18 H 0.7706 0.7241 0.6560 0.082 Uiso 1 1 calc R U . . .
C19 C 0.7656(4) 0.6709(3) 0.6243(4) 0.051(3) Uani 1 1 d . . . . .
H19 H 0.7350 0.6550 0.6238 0.061 Uiso 1 1 calc R U . . .
C20 C 0.7896(3) 0.6527(3) 0.6057(4) 0.041(2) Uani 1 1 d . . . . .
C24 C 0.8307(4) 0.6436(3) 0.4511(4) 0.045(2) Uani 1 1 d . . . . .
C25 C 0.8719(4) 0.6634(5) 0.4319(6) 0.073(5) Uani 1 1 d . . . . .
H25 H 0.8905 0.6523 0.4381 0.088 Uiso 1 1 calc R U . . .
C26 C 0.8857(6) 0.6994(5) 0.4037(6) 0.086(5) Uani 1 1 d . . . . .
H26 H 0.9138 0.7125 0.3906 0.103 Uiso 1 1 calc R U . . .
C27 C 0.8596(5) 0.7165(4) 0.3944(6) 0.077(5) Uani 1 1 d . . . . .
H27 H 0.8695 0.7413 0.3755 0.093 Uiso 1 1 calc R U . . .
C28 C 0.8194(5) 0.6970(4) 0.4130(5) 0.066(4) Uani 1 1 d . . . . .
H28 H 0.8011 0.7085 0.4064 0.080 Uiso 1 1 calc R U . . .
C29 C 0.8039(4) 0.6605(4) 0.4415(4) 0.050(3) Uani 1 1 d . . . . .
C30 C 0.7605(4) 0.6424(4) 0.4592(5) 0.052(3) Uani 1 1 d . . . . .
C33 C 0.6808(3) 0.5654(3) 0.5284(4) 0.038(2) Uani 1 1 d . . . . .
C36 C 0.5777(3) 0.5039(3) 0.5722(4) 0.041(2) Uani 1 1 d . . . . .
C37 C 0.9172(3) 0.4534(3) 0.5943(4) 0.038(2) Uani 1 1 d . . . . .
C38 C 0.9529(3) 0.4943(4) 0.6026(5) 0.051(3) Uani 1 1 d . . . . .
H38 H 0.9810 0.4994 0.5954 0.061 Uiso 1 1 calc R U . . .
C39 C 0.9481(4) 0.5271(4) 0.6209(5) 0.056(3) Uani 1 1 d . . . . .
H39 H 0.9725 0.5551 0.6244 0.067 Uiso 1 1 calc R U . . .
C40 C 0.9078(3) 0.5193(3) 0.6341(4) 0.045(2) Uani 1 1 d . . . . .
H40 H 0.9046 0.5412 0.6490 0.054 Uiso 1 1 calc R U . . .
C41 C 0.8717(3) 0.4789(3) 0.6254(4) 0.039(2) Uani 1 1 d . . . . .
H41 H 0.8438 0.4737 0.6336 0.047 Uiso 1 1 calc R U . . .
C42 C 0.8761(3) 0.4462(3) 0.6048(3) 0.0266(16) Uani 1 1 d . . . . .
N9 N 0.8878(2) 0.5289(2) 0.5107(3) 0.0362(17) Uani 1 1 d . . . . .
N10 N 0.9012(2) 0.5691(3) 0.5302(3) 0.041(2) Uani 1 1 d . . . . .
H10 H 0.9287 0.5875 0.5350 0.049 Uiso 1 1 calc R U . . .
N12 N 0.8827(3) 0.6168(3) 0.5603(4) 0.047(2) Uani 1 1 d . . . . .
H12 H 0.9099 0.6359 0.5655 0.056 Uiso 1 1 calc R U . . .
O63 O 0.7692(3) 0.4678(3) 0.4083(3) 0.074(3) Uani 1 1 d . . . . .
H63A H 0.7643 0.4424 0.3926 0.089 Uiso 1 1 calc R U . . .
H63B H 0.7571 0.4842 0.3966 0.089 Uiso 1 1 calc R U . . .
N13 N 0.8498(2) 0.6249(2) 0.5713(3) 0.0380(18) Uani 1 1 d . . . . .
N31 N 0.7438(3) 0.6117(3) 0.4890(3) 0.042(2) Uani 1 1 d . . . . .
N32 N 0.7018(3) 0.5999(3) 0.5009(4) 0.047(2) Uani 1 1 d . . . . .
H32 H 0.6896 0.6144 0.4909 0.056 Uiso 1 1 calc R U . . .
N34 N 0.6407(3) 0.5544(3) 0.5414(4) 0.051(3) Uani 1 1 d . . . . .
H34 H 0.6295 0.5706 0.5345 0.061 Uiso 1 1 calc R U . . .
N35 N 0.6179(2) 0.5167(3) 0.5660(3) 0.0374(18) Uani 1 1 d . . . . .
O1 O 0.83424(19) 0.43987(19) 0.4923(2) 0.0332(14) Uani 1 1 d . . . . .
O21 O 0.7689(2) 0.61310(19) 0.5890(3) 0.0401(16) Uani 1 1 d . . . . .
O22 O 0.83164(19) 0.55231(19) 0.5327(2) 0.0336(14) Uani 1 1 d . . . . .
O23 O 0.8169(2) 0.6078(2) 0.4759(3) 0.0430(17) Uani 1 1 d . . . . .
O43 O 0.83998(19) 0.40818(19) 0.5960(3) 0.0342(14) Uani 1 1 d . . . . .
O44 O 0.69793(19) 0.54418(18) 0.5413(2) 0.0312(13) Uani 1 1 d . . . . .
O50 O 0.75543(19) 0.50630(18) 0.4954(2) 0.0306(13) Uani 1 1 d . . . . .
H50 H 0.7370 0.5026 0.4678 0.037 Uiso 1 1 calc R U . . .
O51 O 0.73897(18) 0.51264(17) 0.5891(2) 0.0280(12) Uani 1 1 d . . . . .
H51 H 0.7561 0.5163 0.6178 0.034 Uiso 1 1 calc R U . . .
O52 O 0.6965(2) 0.5616(2) 0.6331(3) 0.0484(19) Uani 1 1 d . . . . .
H52A H 0.7206 0.5721 0.6533 0.058 Uiso 1 1 calc R U . . .
H52B H 0.6855 0.5799 0.6243 0.058 Uiso 1 1 calc R U . . .
O53 O 0.6203(2) 0.4921(2) 0.6690(3) 0.0472(18) Uani 1 1 d . . . . .
H53A H 0.6063 0.4683 0.6895 0.057 Uiso 1 1 calc R U . . .
H53B H 0.6173 0.5168 0.6735 0.057 Uiso 1 1 calc R U . . .
O54 O 0.6940(3) 0.4856(3) 0.6797(3) 0.066(3) Uani 1 1 d . . . . .
H54A H 0.6970 0.4613 0.6866 0.080 Uiso 1 1 calc R U . . .
H54B H 0.7028 0.5082 0.7017 0.080 Uiso 1 1 calc R U . . .
O55 O 0.66116(18) 0.45781(18) 0.5314(2) 0.0291(12) Uani 1 1 d . . . . .
H55 H 0.6608 0.4725 0.5021 0.035 Uiso 1 1 calc R U . . .
O56 O 0.66382(18) 0.42509(18) 0.6044(2) 0.0276(12) Uani 1 1 d . . . . .
H56 H 0.6645 0.4109 0.6340 0.033 Uiso 1 1 calc R U . . .
O57 O 0.72843(17) 0.39670(17) 0.5941(2) 0.0242(11) Uani 1 1 d . . . . .
H57 H 0.7362 0.4046 0.6274 0.029 Uiso 1 1 calc R U . . .
O58 O 0.66370(17) 0.38027(17) 0.5270(2) 0.0261(12) Uani 1 1 d . . . . .
H58 H 0.6641 0.3722 0.4940 0.031 Uiso 1 1 calc R U . . .
O59 O 0.75102(18) 0.42252(18) 0.4928(2) 0.0273(12) Uani 1 1 d . . . . .
H59 H 0.7331 0.4039 0.4667 0.033 Uiso 1 1 calc R U . . .
O60 O 0.79448(17) 0.46794(17) 0.5556(2) 0.0264(12) Uani 1 1 d . . . . .
H60 H 0.8124 0.4869 0.5816 0.032 Uiso 1 1 calc R U . . .
O61 O 0.8571(3) 0.4944(3) 0.4104(3) 0.064(2) Uani 1 1 d . . . . .
H61A H 0.8694 0.4764 0.4091 0.077 Uiso 1 1 calc R U . . .
H61B H 0.8618 0.5140 0.3858 0.077 Uiso 1 1 calc R U . . .
O62 O 0.8401(3) 0.5566(2) 0.4367(3) 0.0486(19) Uani 1 1 d . . . . .
H62A H 0.8668 0.5681 0.4209 0.058 Uiso 1 1 calc R U . . .
H62B H 0.8244 0.5716 0.4360 0.058 Uiso 1 1 calc R U . . .
O64 O 0.6667 0.3333 0.6630(5) 0.058(4) Uani 1 3 d S T P . .
H64A H 0.6673 0.3107 0.6795 0.069 Uiso 0.3333 1 calc R U P . .
H64B H 0.6661 0.3560 0.6795 0.069 Uiso 0.3333 1 calc R U P . .
Cl72 Cl 0.6667 0.3333 0.4356(3) 0.092(3) Uani 0.8698 3 d S T P . .
Cl73 Cl 0.6114(3) 0.4309(3) 0.7456(4) 0.217(5) Uani 1 1 d . . . A 2
Cl74 Cl 1.00738(10) 0.62941(11) 0.52617(17) 0.0791(12) Uani 1 1 d . . . . .
Cl75 Cl 0.77105(13) 0.47274(14) 0.67032(14) 0.0606(9) Uani 0.833 1 d . . P B 1
Cl76 Cl 0.6605(3) 0.58523(18) 0.7137(3) 0.145(3) Uani 0.8771 1 d . . P C 1
Cl77 Cl 0.69982(18) 0.5104(4) 0.41403(19) 0.191(5) Uani 1 1 d . . . . .
O80 O 0.9624(3) 0.6551(6) 0.6015(5) 0.131(7) Uani 1 1 d . . . . .
O81 O 0.6740(6) 0.4047(5) 0.7199(5) 0.123(6) Uani 1 1 d . . . D 2
N87 N 0.8007(8) 0.8015(7) 0.5127(6) 0.251(12) Uani 1 1 d D U . . .
C88 C 0.8328(11) 0.8324(10) 0.5484(9) 0.249(14) Uani 1 1 d D U . . .
H88A H 0.8328 0.8154 0.5754 0.298 Uiso 0.5 1 calc R U P E 1
H88B H 0.8226 0.8519 0.5594 0.298 Uiso 0.5 1 calc R U P E 1
H88C H 0.8552 0.8243 0.5533 0.298 Uiso 0.5 1 calc R U P F 2
H88D H 0.8472 0.8617 0.5350 0.298 Uiso 0.5 1 calc R U P F 2
C89 C 0.8795(14) 0.860(2) 0.531(2) 0.27(3) Uani 0.5 1 d D U P G 1
H89A H 0.8976 0.8787 0.5560 0.399 Uiso 0.5 1 calc R U P G 1
H89B H 0.8904 0.8411 0.5209 0.399 Uiso 0.5 1 calc R U P G 1
H89C H 0.8800 0.8777 0.5048 0.399 Uiso 0.5 1 calc R U P G 1
C89' C 0.815(3) 0.834(3) 0.5950(15) 0.27(3) Uani 0.5 1 d D U P G 2
H89D H 0.8386 0.8551 0.6147 0.405 Uiso 0.5 1 calc R U P G 2
H89E H 0.7936 0.8434 0.5912 0.405 Uiso 0.5 1 calc R U P G 2
H89F H 0.8016 0.8058 0.6095 0.405 Uiso 0.5 1 calc R U P G 2
C90 C 0.8180(11) 0.7738(9) 0.4917(8) 0.240(13) Uani 1 1 d D U . . .
H90A H 0.8004 0.7587 0.4641 0.288 Uiso 1 1 calc R U . . .
H90B H 0.8479 0.7930 0.4810 0.288 Uiso 1 1 calc R U . . .
C91 C 0.8178(17) 0.7402(12) 0.5245(12) 0.30(2) Uani 1 1 d D U . . .
H91A H 0.8292 0.7240 0.5083 0.445 Uiso 1 1 calc R U . . .
H91B H 0.8358 0.7547 0.5515 0.445 Uiso 1 1 calc R U . . .
H91C H 0.7882 0.7204 0.5346 0.445 Uiso 1 1 calc R U . . .
C92 C 0.7576(11) 0.7718(11) 0.5366(10) 0.286(15) Uani 1 1 d D U . . .
H92A H 0.7463 0.7898 0.5495 0.344 Uiso 1 1 calc R U . . .
H92B H 0.7630 0.7574 0.5630 0.344 Uiso 1 1 calc R U . . .
C93 C 0.7229(14) 0.7370(16) 0.5056(17) 0.39(4) Uani 1 1 d D U . . .
H93A H 0.6966 0.7197 0.5237 0.581 Uiso 1 1 calc R U . . .
H93B H 0.7165 0.7508 0.4798 0.581 Uiso 1 1 calc R U . . .
H93C H 0.7333 0.7184 0.4933 0.581 Uiso 1 1 calc R U . . .
C94 C 0.7943(12) 0.8265(10) 0.4735(8) 0.267(15) Uani 1 1 d D U . . .
H94A H 0.7732 0.8054 0.4513 0.320 Uiso 1 1 calc R U . . .
H94B H 0.8220 0.8432 0.4569 0.320 Uiso 1 1 calc R U . . .
C95 C 0.779(2) 0.8576(15) 0.4883(15) 0.35(3) Uani 1 1 d D U . . .
H95A H 0.7756 0.8719 0.4609 0.523 Uiso 1 1 calc R U . . .
H95B H 0.7507 0.8414 0.5040 0.523 Uiso 1 1 calc R U . . .
H95C H 0.7997 0.8793 0.5096 0.523 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Dy1 O59 70.7(2) . .
O1 Dy1 O60 72.9(2) . .
O59 Dy1 O60 61.5(2) . .
O1 Dy1 O62 136.2(2) . .
O59 Dy1 O62 145.9(2) . .
O60 Dy1 O62 136.2(2) . .
O1 Dy1 O63 107.1(3) . .
O59 Dy1 O63 72.4(3) . .
O60 Dy1 O63 131.3(3) . .
O62 Dy1 O63 78.3(3) . .
O1 Dy1 O50 142.2(2) . .
O59 Dy1 O50 75.41(19) . .
O60 Dy1 O50 76.6(2) . .
O62 Dy1 O50 81.6(2) . .
O63 Dy1 O50 77.4(3) . .
O1 Dy1 O61 74.1(3) . .
O59 Dy1 O61 116.3(3) . .
O60 Dy1 O61 145.2(3) . .
O62 Dy1 O61 67.3(3) . .
O63 Dy1 O61 69.7(4) . .
O50 Dy1 O61 138.1(3) . .
O1 Dy1 O22 121.0(2) . .
O59 Dy1 O22 119.8(2) . .
O60 Dy1 O22 67.2(2) . .
O62 Dy1 O22 69.1(2) . .
O63 Dy1 O22 131.8(3) . .
O50 Dy1 O22 63.8(2) . .
O61 Dy1 O22 123.7(3) . .
O1 Dy1 N9 70.9(2) . .
O59 Dy1 N9 133.1(2) . .
O60 Dy1 N9 82.1(2) . .
O62 Dy1 N9 80.9(3) . .
O63 Dy1 N9 145.6(3) . .
O50 Dy1 N9 126.1(2) . .
O61 Dy1 N9 77.1(3) . .
O22 Dy1 N9 62.3(2) . .
O1 Dy1 Dy4 99.53(15) . .
O59 Dy1 Dy4 42.30(15) . .
O60 Dy1 Dy4 42.61(13) . .
O62 Dy1 Dy4 123.97(19) . .
O63 Dy1 Dy4 92.1(3) . .
O50 Dy1 Dy4 42.78(14) . .
O61 Dy1 Dy4 157.1(2) . .
O22 Dy1 Dy4 78.61(14) . .
N9 Dy1 Dy4 122.25(19) . .
O1 Dy1 Dy5 39.84(15) . .
O59 Dy1 Dy5 41.14(14) . .
O60 Dy1 Dy5 41.24(14) . .
O62 Dy1 Dy5 172.9(2) . .
O63 Dy1 Dy5 108.1(2) . .
O50 Dy1 Dy5 102.52(14) . .
O61 Dy1 Dy5 111.7(2) . .
O22 Dy1 Dy5 107.24(15) . .
N9 Dy1 Dy5 91.99(18) . .
Dy4 Dy1 Dy5 59.746(10) . .
O23 Dy2 O21 113.6(3) . .
O23 Dy2 O50 88.9(3) . .
O21 Dy2 O50 156.1(2) . .
O23 Dy2 O51 157.4(2) . .
O21 Dy2 O51 87.3(2) . .
O50 Dy2 O51 71.9(2) . .
O23 Dy2 O22 74.5(2) . .
O21 Dy2 O22 126.1(2) . .
O50 Dy2 O22 65.9(2) . .
O51 Dy2 O22 86.6(2) . .
O23 Dy2 O44 125.3(2) . .
O21 Dy2 O44 75.2(2) . .
O50 Dy2 O44 85.3(2) . .
O51 Dy2 O44 66.3(2) . .
O22 Dy2 O44 145.80(19) . .
O23 Dy2 N13 74.5(3) . .
O21 Dy2 N13 69.1(3) . .
O50 Dy2 N13 127.8(2) . .
O51 Dy2 N13 107.6(2) . .
O22 Dy2 N13 62.1(2) . .
O44 Dy2 N13 144.2(3) . .
O23 Dy2 N31 67.7(3) . .
O21 Dy2 N31 76.5(3) . .
O50 Dy2 N31 106.8(3) . .
O51 Dy2 N31 128.5(2) . .
O22 Dy2 N31 141.7(3) . .
O44 Dy2 N31 62.3(2) . .
N13 Dy2 N31 111.3(3) . .
O23 Dy2 Dy4 123.7(2) . .
O21 Dy2 Dy4 122.62(18) . .
O50 Dy2 Dy4 35.95(16) . .
O51 Dy2 Dy4 36.01(15) . .
O22 Dy2 Dy4 72.53(14) . .
O44 Dy2 Dy4 73.30(13) . .
N13 Dy2 Dy4 123.78(18) . .
N31 Dy2 Dy4 124.9(2) . .
O56 Dy3 O52 146.7(3) . .
O56 Dy3 O43 70.5(2) . 2_655
O52 Dy3 O43 136.2(2) . 2_655
O56 Dy3 O55 62.0(2) . .
O52 Dy3 O55 134.7(2) . .
O43 Dy3 O55 73.6(2) 2_655 .
O56 Dy3 O53 110.9(2) . .
O52 Dy3 O53 71.7(3) . .
O43 Dy3 O53 71.6(2) 2_655 .
O55 Dy3 O53 144.6(2) . .
O56 Dy3 O51 76.97(19) . .
O52 Dy3 O51 80.6(2) . .
O43 Dy3 O51 143.1(2) 2_655 .
O55 Dy3 O51 76.2(2) . .
O53 Dy3 O51 138.4(2) . .
O56 Dy3 O54 73.7(3) . .
O52 Dy3 O54 76.8(3) . .
O43 Dy3 O54 111.1(3) 2_655 .
O55 Dy3 O54 131.1(2) . .
O53 Dy3 O54 69.3(3) . .
O51 Dy3 O54 74.6(3) . .
O56 Dy3 O44 121.5(2) . .
O52 Dy3 O44 68.1(2) . .
O43 Dy3 O44 119.7(2) 2_655 .
O55 Dy3 O44 66.9(2) . .
O53 Dy3 O44 127.3(2) . .
O51 Dy3 O44 64.62(19) . .
O54 Dy3 O44 129.2(3) . .
O56 Dy3 N35 134.2(2) . .
O52 Dy3 N35 79.0(3) . .
O43 Dy3 N35 70.3(2) 2_655 .
O55 Dy3 N35 85.0(2) . .
O53 Dy3 N35 77.5(3) . .
O51 Dy3 N35 127.3(2) . .
O54 Dy3 N35 143.7(3) . .
O44 Dy3 N35 62.7(2) . .
O56 Dy3 Dy4 43.18(15) . .
O52 Dy3 Dy4 123.08(19) . .
O43 Dy3 Dy4 100.35(15) 2_655 .
O55 Dy3 Dy4 42.85(13) . .
O53 Dy3 Dy4 152.4(2) . .
O51 Dy3 Dy4 42.81(13) . .
O54 Dy3 Dy4 90.5(2) . .
O44 Dy3 Dy4 79.88(14) . .
N35 Dy3 Dy4 125.6(2) . .
O56 Dy3 Dy5 43.04(14) . 2_655
O52 Dy3 Dy5 170.0(2) . 2_655
O43 Dy3 Dy5 39.48(15) 2_655 2_655
O55 Dy3 Dy5 40.66(14) . 2_655
O53 Dy3 Dy5 108.67(17) . 2_655
O51 Dy3 Dy5 103.89(14) . 2_655
O54 Dy3 Dy5 112.9(2) . 2_655
O44 Dy3 Dy5 105.46(15) . 2_655
N35 Dy3 Dy5 91.2(2) . 2_655
Dy4 Dy3 Dy5 61.115(10) . 2_655
O58 Dy4 O59 75.56(19) . .
O58 Dy4 O51 144.40(19) . .
O59 Dy4 O51 139.0(2) . .
O58 Dy4 O60 126.59(18) . .
O59 Dy4 O60 61.2(2) . .
O51 Dy4 O60 86.6(2) . .
O58 Dy4 O55 73.55(18) . .
O59 Dy4 O55 122.3(2) . .
O51 Dy4 O55 77.9(2) . .
O60 Dy4 O55 156.53(19) . .
O58 Dy4 O50 122.7(2) . .
O59 Dy4 O50 76.1(2) . .
O51 Dy4 O50 72.2(2) . .
O60 Dy4 O50 77.1(2) . .
O55 Dy4 O50 81.4(2) . .
O58 Dy4 O57 74.04(19) . .
O59 Dy4 O57 79.9(2) . .
O51 Dy4 O57 113.4(2) . .
O60 Dy4 O57 69.13(19) . .
O55 Dy4 O57 133.33(19) . .
O50 Dy4 O57 145.06(19) . .
O58 Dy4 O56 70.9(2) . .
O59 Dy4 O56 143.21(19) . .
O51 Dy4 O56 77.0(2) . .
O60 Dy4 O56 132.2(2) . .
O55 Dy4 O56 61.3(2) . .
O50 Dy4 O56 135.7(2) . .
O57 Dy4 O56 76.80(19) . .
O58 Dy4 Dy3 100.12(13) . .
O59 Dy4 Dy3 164.90(14) . .
O51 Dy4 Dy3 44.36(14) . .
O60 Dy4 Dy3 129.29(15) . .
O55 Dy4 Dy3 43.31(15) . .
O50 Dy4 Dy3 94.87(15) . .
O57 Dy4 Dy3 113.17(14) . .
O56 Dy4 Dy3 41.68(13) . .
O58 Dy4 Dy1 115.93(15) . .
O59 Dy4 Dy1 42.20(14) . .
O51 Dy4 Dy1 97.01(15) . .
O60 Dy4 Dy1 42.26(15) . .
O55 Dy4 Dy1 121.93(16) . .
O50 Dy4 Dy1 43.75(15) . .
O57 Dy4 Dy1 102.18(13) . .
O56 Dy4 Dy1 172.73(15) . .
Dy3 Dy4 Dy1 135.161(14) . .
O58 Dy4 Dy5 84.41(13) . .
O59 Dy4 Dy5 42.49(14) . .
O51 Dy4 Dy5 125.24(14) . .
O60 Dy4 Dy5 42.62(13) . .
O55 Dy4 Dy5 156.87(14) . .
O50 Dy4 Dy5 105.56(15) . .
O57 Dy4 Dy5 41.63(13) . .
O56 Dy4 Dy5 118.15(13) . .
Dy3 Dy4 Dy5 152.423(18) . .
Dy1 Dy4 Dy5 61.821(11) . .
O58 Dy4 Dy5 39.33(13) . 2_655
O59 Dy4 Dy5 112.07(14) . 2_655
O51 Dy4 Dy5 105.44(14) . 2_655
O60 Dy4 Dy5 162.86(13) . 2_655
O55 Dy4 Dy5 40.59(14) . 2_655
O50 Dy4 Dy5 117.83(14) . 2_655
O57 Dy4 Dy5 94.58(13) . 2_655
O56 Dy4 Dy5 43.22(14) . 2_655
Dy3 Dy4 Dy5 61.113(10) . 2_655
Dy1 Dy4 Dy5 143.779(17) . 2_655
Dy5 Dy4 Dy5 121.122(13) . 2_655
O43 Dy5 O58 136.1(2) . 3_665
O43 Dy5 O1 87.5(2) . .
O58 Dy5 O1 122.3(2) 3_665 .
O43 Dy5 O57 108.1(2) . .
O58 Dy5 O57 72.22(19) 3_665 .
O1 Dy5 O57 138.3(2) . .
O43 Dy5 O55 74.8(2) . 3_665
O58 Dy5 O55 73.70(19) 3_665 3_665
O1 Dy5 O55 90.5(2) . 3_665
O57 Dy5 O55 130.54(19) . 3_665
O43 Dy5 O59 149.4(2) . .
O58 Dy5 O59 74.4(2) 3_665 .
O1 Dy5 O59 69.7(2) . .
O57 Dy5 O59 79.3(2) . .
O55 Dy5 O59 123.6(2) 3_665 .
O43 Dy5 O60 94.2(2) . .
O58 Dy5 O60 123.86(18) 3_665 .
O1 Dy5 O60 71.7(2) . .
O57 Dy5 O60 68.81(18) . .
O55 Dy5 O60 159.68(19) 3_665 .
O59 Dy5 O60 60.1(2) . .
O43 Dy5 O56 68.6(2) . 3_665
O58 Dy5 O56 69.5(2) 3_665 3_665
O1 Dy5 O56 145.4(2) . 3_665
O57 Dy5 O56 74.87(19) . 3_665
O55 Dy5 O56 60.1(2) 3_665 3_665
O59 Dy5 O56 140.45(19) . 3_665
O60 Dy5 O56 132.2(2) . 3_665
O43 Dy5 Dy4 128.28(16) . .
O58 Dy5 Dy4 82.37(13) 3_665 .
O1 Dy5 Dy4 97.96(15) . .
O57 Dy5 Dy4 41.97(13) . .
O55 Dy5 Dy4 155.46(14) 3_665 .
O59 Dy5 Dy4 41.55(14) . .
O60 Dy5 Dy4 41.86(13) . .
O56 Dy5 Dy4 116.38(13) 3_665 .
O43 Dy5 Dy4 97.97(15) . 3_665
O58 Dy5 Dy4 39.49(14) 3_665 3_665
O1 Dy5 Dy4 124.83(16) . 3_665
O57 Dy5 Dy4 91.90(13) . 3_665
O55 Dy5 Dy4 40.60(14) 3_665 3_665
O59 Dy5 Dy4 111.60(13) . 3_665
O60 Dy5 Dy4 159.70(13) . 3_665
O56 Dy5 Dy4 41.36(14) 3_665 3_665
Dy4 Dy5 Dy4 118.869(13) . 3_665
O43 Dy5 Dy3 40.44(15) . 3_665
O58 Dy5 Dy3 96.94(14) 3_665 3_665
O1 Dy5 Dy3 106.19(15) . 3_665
O57 Dy5 Dy3 110.50(14) . 3_665
O55 Dy5 Dy3 41.10(16) 3_665 3_665
O59 Dy5 Dy3 164.66(14) . 3_665
O60 Dy5 Dy3 133.80(14) . 3_665
O56 Dy5 Dy3 39.79(13) 3_665 3_665
Dy4 Dy5 Dy3 151.445(17) . 3_665
Dy4 Dy5 Dy3 57.772(10) 3_665 3_665
O43 Dy5 Dy1 109.65(15) . .
O58 Dy5 Dy1 113.58(15) 3_665 .
O1 Dy5 Dy1 39.57(15) . .
O57 Dy5 Dy1 99.18(13) . .
O55 Dy5 Dy1 127.11(15) 3_665 .
O59 Dy5 Dy1 40.14(13) . .
O60 Dy5 Dy1 40.19(15) . .
O56 Dy5 Dy1 172.42(14) 3_665 .
Dy4 Dy5 Dy1 58.433(11) . .
Dy4 Dy5 Dy1 145.029(16) 3_665 .
Dy3 Dy5 Dy1 142.776(14) 3_665 .
O57 Dy6 O57 117.44(8) 3_665 .
O57 Dy6 O57 117.43(8) 3_665 2_655
O57 Dy6 O57 117.43(8) . 2_655
O57 Dy6 O58 76.2(2) 3_665 3_665
O57 Dy6 O58 73.91(19) . 3_665
O57 Dy6 O58 147.2(2) 2_655 3_665
O57 Dy6 O58 73.91(19) 3_665 2_655
O57 Dy6 O58 147.2(2) . 2_655
O57 Dy6 O58 76.2(2) 2_655 2_655
O58 Dy6 O58 80.0(2) 3_665 2_655
O57 Dy6 O58 147.2(2) 3_665 .
O57 Dy6 O58 76.2(2) . .
O57 Dy6 O58 73.91(19) 2_655 .
O58 Dy6 O58 80.0(2) 3_665 .
O58 Dy6 O58 80.0(2) 2_655 .
O57 Dy6 O64 80.69(15) 3_665 .
O57 Dy6 O64 80.69(15) . .
O57 Dy6 O64 80.69(15) 2_655 .
O58 Dy6 O64 132.09(15) 3_665 .
O58 Dy6 O64 132.09(15) 2_655 .
O58 Dy6 O64 132.08(15) . .
O57 Dy6 Dy4 38.86(14) 3_665 3_665
O57 Dy6 Dy4 91.77(13) . 3_665
O57 Dy6 Dy4 150.79(14) 2_655 3_665
O58 Dy6 Dy4 38.15(14) 3_665 3_665
O58 Dy6 Dy4 79.25(13) 2_655 3_665
O58 Dy6 Dy4 117.10(14) . 3_665
O64 Dy6 Dy4 104.914(13) . 3_665
O57 Dy6 Dy4 91.77(13) 3_665 2_655
O57 Dy6 Dy4 150.79(14) . 2_655
O57 Dy6 Dy4 38.86(14) 2_655 2_655
O58 Dy6 Dy4 117.09(14) 3_665 2_655
O58 Dy6 Dy4 38.15(14) 2_655 2_655
O58 Dy6 Dy4 79.25(13) . 2_655
O64 Dy6 Dy4 104.914(13) . 2_655
Dy4 Dy6 Dy4 113.618(11) 3_665 2_655
O57 Dy6 Dy4 150.79(14) 3_665 .
O57 Dy6 Dy4 38.85(14) . .
O57 Dy6 Dy4 91.77(13) 2_655 .
O58 Dy6 Dy4 79.25(13) 3_665 .
O58 Dy6 Dy4 117.09(14) 2_655 .
O58 Dy6 Dy4 38.15(14) . .
O64 Dy6 Dy4 104.915(13) . .
Dy4 Dy6 Dy4 113.617(11) 3_665 .
Dy4 Dy6 Dy4 113.618(10) 2_655 .
O57 Dy6 Dy5 37.49(14) 3_665 3_665
O57 Dy6 Dy5 148.93(13) . 3_665
O57 Dy6 Dy5 93.62(14) 2_655 3_665
O58 Dy6 Dy5 80.33(13) 3_665 3_665
O58 Dy6 Dy5 37.05(13) 2_655 3_665
O58 Dy6 Dy5 116.30(15) . 3_665
O64 Dy6 Dy5 105.077(13) . 3_665
Dy4 Dy6 Dy5 57.169(8) 3_665 3_665
Dy4 Dy6 Dy5 58.350(8) 2_655 3_665
Dy4 Dy6 Dy5 150.00(2) . 3_665
O57 Dy6 Dy5 148.93(13) 3_665 2_655
O57 Dy6 Dy5 93.62(14) . 2_655
O57 Dy6 Dy5 37.49(14) 2_655 2_655
O58 Dy6 Dy5 116.30(15) 3_665 2_655
O58 Dy6 Dy5 80.33(13) 2_655 2_655
O58 Dy6 Dy5 37.05(13) . 2_655
O64 Dy6 Dy5 105.077(12) . 2_655
Dy4 Dy6 Dy5 150.00(2) 3_665 2_655
Dy4 Dy6 Dy5 57.169(8) 2_655 2_655
Dy4 Dy6 Dy5 58.350(8) . 2_655
Dy5 Dy6 Dy5 113.485(10) 3_665 2_655
O1 C2 C3 120.9(8) . .
O1 C2 C7 121.1(9) . .
C3 C2 C7 118.0(8) . .
C2 C3 C4 122.0(10) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
C3 C4 C5 119.8(11) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C6 C5 C4 119.0(10) . .
C6 C5 H5 120.5 . .
C4 C5 H5 120.5 . .
C5 C6 C7 121.9(11) . .
C5 C6 H6 119.0 . .
C7 C6 H6 119.0 . .
C6 C7 C2 119.2(10) . .
C6 C7 C8 115.8(9) . .
C2 C7 C8 125.0(9) . .
N9 C8 C7 124.5(9) . .
O22 C11 N12 121.2(9) . .
O22 C11 N10 120.1(9) . .
N12 C11 N10 118.7(8) . .
N13 C14 C15 123.8(10) . .
C20 C15 C14 126.1(10) . .
C20 C15 C16 118.6(11) . .
C14 C15 C16 115.3(10) . .
C17 C16 C15 120.3(11) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 120.7(11) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C17 C18 C19 120.6(13) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C18 C19 C20 120.1(12) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
O21 C20 C15 121.0(10) . .
O21 C20 C19 119.3(10) . .
C15 C20 C19 119.7(9) . .
O23 C24 C29 121.4(10) . .
O23 C24 C25 119.4(10) . .
C29 C24 C25 119.0(10) . .
C26 C25 C24 119.9(13) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C27 C26 C25 121.4(14) . .
C27 C26 H26 119.3 . .
C25 C26 H26 119.3 . .
C28 C27 C26 118.5(12) . .
C28 C27 H27 120.7 . .
C26 C27 H27 120.7 . .
C27 C28 C29 122.2(13) . .
C27 C28 H28 118.9 . .
C29 C28 H28 118.9 . .
C24 C29 C28 118.9(12) . .
C24 C29 C30 123.6(9) . .
C28 C29 C30 117.5(11) . .
N31 C30 C29 123.9(10) . .
O44 C33 N34 121.3(9) . .
O44 C33 N32 121.1(9) . .
N34 C33 N32 117.6(8) . .
N35 C36 C37 125.4(9) . 2_655
C42 C37 C38 119.0(10) . .
C42 C37 C36 125.0(8) . 3_665
C38 C37 C36 115.9(9) . 3_665
C39 C38 C37 121.2(10) . .
C39 C38 H38 119.4 . .
C37 C38 H38 119.4 . .
C38 C39 C40 119.8(10) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C39 C40 C41 119.5(10) . .
C39 C40 H40 120.2 . .
C41 C40 H40 120.2 . .
C42 C41 C40 120.8(10) . .
C42 C41 H41 119.6 . .
C40 C41 H41 119.6 . .
O43 C42 C41 118.4(8) . .
O43 C42 C37 122.3(8) . .
C41 C42 C37 119.4(8) . .
C8 N9 N10 115.1(8) . .
C8 N9 Dy1 128.0(7) . .
N10 N9 Dy1 116.0(6) . .
C11 N10 N9 117.5(8) . .
C11 N10 H10 121.3 . .
N9 N10 H10 121.3 . .
C11 N12 N13 116.1(8) . .
C11 N12 H12 122.0 . .
N13 N12 H12 122.0 . .
Dy1 O63 H63A 120.0 . .
Dy1 O63 H63B 120.0 . .
H63A O63 H63B 120.0 . .
C14 N13 N12 114.0(8) . .
C14 N13 Dy2 130.0(7) . .
N12 N13 Dy2 115.0(6) . .
C30 N31 N32 113.5(8) . .
C30 N31 Dy2 132.5(7) . .
N32 N31 Dy2 113.9(6) . .
C33 N32 N31 117.0(8) . .
C33 N32 H32 121.5 . .
N31 N32 H32 121.5 . .
C33 N34 N35 117.2(8) . .
C33 N34 H34 121.4 . .
N35 N34 H34 121.4 . .
C36 N35 N34 115.6(8) . .
C36 N35 Dy3 128.5(7) . .
N34 N35 Dy3 114.8(6) . .
C2 O1 Dy1 128.2(5) . .
C2 O1 Dy5 130.1(5) . .
Dy1 O1 Dy5 100.6(2) . .
C20 O21 Dy2 141.3(7) . .
C11 O22 Dy2 123.3(6) . .
C11 O22 Dy1 119.9(6) . .
Dy2 O22 Dy1 111.4(2) . .
C24 O23 Dy2 143.2(7) . .
C42 O43 Dy5 127.7(5) . .
C42 O43 Dy3 130.0(5) . 3_665
Dy5 O43 Dy3 100.1(2) . 3_665
C33 O44 Dy2 123.0(6) . .
C33 O44 Dy3 119.3(6) . .
Dy2 O44 Dy3 112.1(2) . .
Dy2 O50 Dy4 108.2(3) . .
Dy2 O50 Dy1 117.2(2) . .
Dy4 O50 Dy1 93.5(2) . .
Dy2 O50 H50 112.1 . .
Dy4 O50 H50 112.1 . .
Dy1 O50 H50 112.1 . .
Dy4 O51 Dy2 107.6(3) . .
Dy4 O51 Dy3 92.83(19) . .
Dy2 O51 Dy3 115.9(2) . .
Dy4 O51 H51 112.9 . .
Dy2 O51 H51 112.9 . .
Dy3 O51 H51 112.9 . .
Dy3 O52 H52A 120.0 . .
Dy3 O52 H52B 120.0 . .
H52A O52 H52B 120.0 . .
Dy3 O53 H53A 120.0 . .
Dy3 O53 H53B 120.0 . .
H53A O53 H53B 120.0 . .
Dy3 O54 H54A 120.0 . .
Dy3 O54 H54B 120.0 . .
H54A O54 H54B 120.0 . .
Dy5 O55 Dy4 98.8(2) 2_655 .
Dy5 O55 Dy3 98.2(2) 2_655 .
Dy4 O55 Dy3 93.8(2) . .
Dy5 O55 H55 120.1 2_655 .
Dy4 O55 H55 120.1 . .
Dy3 O55 H55 120.1 . .
Dy3 O56 Dy4 95.1(2) . .
Dy3 O56 Dy5 97.2(2) . 2_655
Dy4 O56 Dy5 95.4(2) . 2_655
Dy3 O56 H56 121.0 . .
Dy4 O56 H56 121.0 . .
Dy5 O56 H56 121.0 2_655 .
Dy6 O57 Dy5 106.8(2) . .
Dy6 O57 Dy4 104.5(2) . .
Dy5 O57 Dy4 96.4(2) . .
Dy6 O57 H57 115.6 . .
Dy5 O57 H57 115.6 . .
Dy4 O57 H57 115.6 . .
Dy5 O58 Dy6 105.8(2) 2_655 .
Dy5 O58 Dy4 101.2(2) 2_655 .
Dy6 O58 Dy4 103.7(2) . .
Dy5 O58 H58 114.9 2_655 .
Dy6 O58 H58 114.9 . .
Dy4 O58 H58 114.9 . .
Dy1 O59 Dy4 95.5(2) . .
Dy1 O59 Dy5 98.7(2) . .
Dy4 O59 Dy5 96.0(2) . .
Dy1 O59 H59 120.3 . .
Dy4 O59 H59 120.3 . .
Dy5 O59 H59 120.3 . .
Dy1 O60 Dy4 95.1(2) . .
Dy1 O60 Dy5 98.6(2) . .
Dy4 O60 Dy5 95.52(19) . .
Dy1 O60 H60 120.6 . .
Dy4 O60 H60 120.6 . .
Dy5 O60 H60 120.6 . .
Dy1 O61 H61A 120.0 . .
Dy1 O61 H61B 120.0 . .
H61A O61 H61B 120.0 . .
Dy1 O62 H62A 120.0 . .
Dy1 O62 H62B 120.0 . .
H62A O62 H62B 120.0 . .
Dy6 O64 H64A 120.0 . .
Dy6 O64 H64B 120.0 . .
H64A O64 H64B 120.0 . .
C94 N87 C88 110.8(10) . .
C94 N87 C90 108.3(10) . .
C88 N87 C90 109.6(10) . .
C94 N87 C92 110.2(11) . .
C88 N87 C92 109.2(10) . .
C90 N87 C92 108.7(10) . .
C89' C88 N87 117(4) . .
N87 C88 C89 115.1(19) . .
N87 C88 H88A 108.5 . .
C89 C88 H88A 108.5 . .
N87 C88 H88B 108.5 . .
C89 C88 H88B 108.5 . .
H88A C88 H88B 107.5 . .
C89' C88 H88C 108.0 . .
N87 C88 H88C 108.0 . .
C89' C88 H88D 108.0 . .
N87 C88 H88D 108.0 . .
H88C C88 H88D 107.2 . .
C88 C89 H89A 109.5 . .
C88 C89 H89B 109.5 . .
H89A C89 H89B 109.5 . .
C88 C89 H89C 109.5 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.5 . .
C88 C89' H89D 109.5 . .
C88 C89' H89E 109.5 . .
H89D C89' H89E 109.5 . .
C88 C89' H89F 109.5 . .
H89D C89' H89F 109.5 . .
H89E C89' H89F 109.5 . .
C91 C90 N87 114.9(17) . .
C91 C90 H90A 108.5 . .
N87 C90 H90A 108.5 . .
C91 C90 H90B 108.5 . .
N87 C90 H90B 108.5 . .
H90A C90 H90B 107.5 . .
C90 C91 H91A 109.5 . .
C90 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C90 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
N87 C92 C93 115.3(18) . .
N87 C92 H92A 108.5 . .
C93 C92 H92A 108.5 . .
N87 C92 H92B 108.5 . .
C93 C92 H92B 108.5 . .
H92A C92 H92B 107.5 . .
C92 C93 H93A 109.5 . .
C92 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C92 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
N87 C94 C95 115.7(18) . .
N87 C94 H94A 108.4 . .
C95 C94 H94A 108.4 . .
N87 C94 H94B 108.4 . .
C95 C94 H94B 108.4 . .
H94A C94 H94B 107.4 . .
C94 C95 H95A 109.5 . .
C94 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C94 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.346(6) .
Dy1 O59 2.361(6) .
Dy1 O60 2.362(6) .
Dy1 O62 2.383(7) .
Dy1 O63 2.413(9) .
Dy1 O50 2.424(6) .
Dy1 O61 2.485(9) .
Dy1 O22 2.524(7) .
Dy1 N9 2.530(8) .
Dy1 Dy4 3.4990(6) .
Dy1 Dy5 3.6200(6) .
Dy2 O23 2.229(7) .
Dy2 O21 2.236(7) .
Dy2 O50 2.373(6) .
Dy2 O51 2.397(6) .
Dy2 O22 2.433(6) .
Dy2 O44 2.442(6) .
Dy2 N13 2.596(8) .
Dy2 N31 2.614(8) .
Dy2 Dy4 3.8517(5) .
Dy3 O56 2.331(6) .
Dy3 O52 2.368(7) .
Dy3 O43 2.381(6) 2_655
Dy3 O55 2.401(6) .
Dy3 O53 2.439(7) .
Dy3 O51 2.445(6) .
Dy3 O54 2.457(9) .
Dy3 O44 2.505(6) .
Dy3 N35 2.536(8) .
Dy3 Dy4 3.4919(6) .
Dy3 Dy5 3.6143(5) 2_655
Dy4 O58 2.343(6) .
Dy4 O59 2.366(6) .
Dy4 O51 2.376(6) .
Dy4 O60 2.378(5) .
Dy4 O55 2.380(6) .
Dy4 O50 2.381(6) .
Dy4 O57 2.387(6) .
Dy4 O56 2.399(6) .
Dy4 Dy5 3.5474(5) .
Dy4 Dy5 3.6143(5) 2_655
Dy5 O43 2.334(6) .
Dy5 O58 2.335(5) 3_665
Dy5 O1 2.359(6) .
Dy5 O57 2.371(6) .
Dy5 O55 2.380(6) 3_665
Dy5 O59 2.409(6) .
Dy5 O60 2.413(6) .
Dy5 O56 2.487(6) 3_665
Dy5 Dy4 3.6143(5) 3_665
Dy5 Dy3 3.6145(5) 3_665
Dy6 O57 2.272(5) 3_665
Dy6 O57 2.272(5) .
Dy6 O57 2.272(5) 2_655
Dy6 O58 2.341(6) 3_665
Dy6 O58 2.341(6) 2_655
Dy6 O58 2.341(6) .
Dy6 O64 2.357(15) .
Dy6 Dy4 3.6844(4) 3_665
Dy6 Dy4 3.6844(4) 2_655
Dy6 Dy5 3.7293(4) 3_665
Dy6 Dy5 3.7293(4) 2_655
C2 O1 1.346(10) .
C2 C3 1.369(14) .
C2 C7 1.409(13) .
C3 C4 1.381(14) .
C3 H3 0.9500 .
C4 C5 1.382(17) .
C4 H4 0.9500 .
C5 C6 1.360(17) .
C5 H5 0.9500 .
C6 C7 1.385(14) .
C6 H6 0.9500 .
C7 C8 1.470(15) .
C8 N9 1.295(12) .
C11 O22 1.263(10) .
C11 N12 1.328(13) .
C11 N10 1.337(13) .
C14 N13 1.304(13) .
C14 C15 1.406(16) .
C15 C20 1.406(15) .
C15 C16 1.446(14) .
C16 C17 1.380(19) .
C16 H16 0.9500 .
C17 C18 1.39(2) .
C17 H17 0.9500 .
C18 C19 1.395(16) .
C18 H18 0.9500 .
C19 C20 1.422(16) .
C19 H19 0.9500 .
C20 O21 1.320(11) .
C24 O23 1.330(11) .
C24 C29 1.395(15) .
C24 C25 1.396(17) .
C25 C26 1.390(18) .
C25 H25 0.9500 .
C26 C27 1.38(2) .
C26 H26 0.9500 .
C27 C28 1.36(2) .
C27 H27 0.9500 .
C28 C29 1.404(15) .
C28 H28 0.9500 .
C29 C30 1.444(17) .
C30 N31 1.284(14) .
C33 O44 1.250(10) .
C33 N34 1.337(13) .
C33 N32 1.341(13) .
C36 N35 1.288(12) .
C36 C37 1.455(14) 2_655
C37 C42 1.397(12) .
C37 C38 1.402(14) .
C37 C36 1.455(14) 3_665
C38 C39 1.378(17) .
C38 H38 0.9500 .
C39 C40 1.380(16) .
C39 H39 0.9500 .
C40 C41 1.401(13) .
C40 H40 0.9500 .
C41 C42 1.390(13) .
C41 H41 0.9500 .
C42 O43 1.353(10) .
N9 N10 1.388(12) .
N10 H10 0.8800 .
N12 N13 1.385(12) .
N12 H12 0.8800 .
O63 H63A 0.9500 .
O63 H63B 0.9500 .
N31 N32 1.387(12) .
N32 H32 0.8800 .
N34 N35 1.376(12) .
N34 H34 0.8800 .
O43 Dy3 2.381(6) 3_665
O50 H50 1.0000 .
O51 H51 1.0000 .
O52 H52A 0.9500 .
O52 H52B 0.9500 .
O53 H53A 0.9500 .
O53 H53B 0.9500 .
O54 H54A 0.9500 .
O54 H54B 0.9500 .
O55 Dy5 2.380(6) 2_655
O55 H55 1.0000 .
O56 Dy5 2.486(6) 2_655
O56 H56 1.0000 .
O57 H57 1.0000 .
O58 Dy5 2.335(5) 2_655
O58 H58 1.0000 .
O59 H59 1.0000 .
O60 H60 1.0000 .
O61 H61A 0.9500 .
O61 H61B 0.9500 .
O62 H62A 0.9500 .
O62 H62B 0.9500 .
O64 H64A 0.9500 .
O64 H64B 0.9500 .
N87 C94 1.53(2) .
N87 C88 1.53(2) .
N87 C90 1.53(2) .
N87 C92 1.53(2) .
C88 C89' 1.50(6) .
C88 C89 1.54(3) .
C88 H88A 0.9900 .
C88 H88B 0.9900 .
C88 H88C 0.9900 .
C88 H88D 0.9900 .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C89' H89D 0.9800 .
C89' H89E 0.9800 .
C89' H89F 0.9800 .
C90 C91 1.53(3) .
C90 H90A 0.9900 .
C90 H90B 0.9900 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
C92 C93 1.53(3) .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C94 C95 1.54(3) .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 C2 C3 C4 -177.1(10) . .
C7 C2 C3 C4 2.6(15) . .
C2 C3 C4 C5 0.0(18) . .
C3 C4 C5 C6 -1(2) . .
C4 C5 C6 C7 0(2) . .
C5 C6 C7 C2 2.3(19) . .
C5 C6 C7 C8 179.2(12) . .
O1 C2 C7 C6 176.0(10) . .
C3 C2 C7 C6 -3.6(15) . .
O1 C2 C7 C8 -0.6(15) . .
C3 C2 C7 C8 179.8(10) . .
C6 C7 C8 N9 166.8(11) . .
C2 C7 C8 N9 -16.5(18) . .
N13 C14 C15 C20 4.0(19) . .
N13 C14 C15 C16 -177.7(11) . .
C20 C15 C16 C17 -0.3(18) . .
C14 C15 C16 C17 -178.7(12) . .
C15 C16 C17 C18 1(2) . .
C16 C17 C18 C19 -1(2) . .
C17 C18 C19 C20 0(2) . .
C14 C15 C20 O21 0.4(18) . .
C16 C15 C20 O21 -177.9(10) . .
C14 C15 C20 C19 177.5(11) . .
C16 C15 C20 C19 -0.7(17) . .
C18 C19 C20 O21 177.9(12) . .
C18 C19 C20 C15 0.7(18) . .
O23 C24 C25 C26 176.3(15) . .
C29 C24 C25 C26 0(2) . .
C24 C25 C26 C27 1(3) . .
C25 C26 C27 C28 -1(3) . .
C26 C27 C28 C29 1(3) . .
O23 C24 C29 C28 -176.4(12) . .
C25 C24 C29 C28 0(2) . .
O23 C24 C29 C30 3(2) . .
C25 C24 C29 C30 179.4(14) . .
C27 C28 C29 C24 0(2) . .
C27 C28 C29 C30 -179.8(15) . .
C24 C29 C30 N31 7(2) . .
C28 C29 C30 N31 -173.2(13) . .
C42 C37 C38 C39 0.2(18) . .
C36 C37 C38 C39 176.2(12) 3_665 .
C37 C38 C39 C40 4(2) . .
C38 C39 C40 C41 -5(2) . .
C39 C40 C41 C42 2.0(17) . .
C40 C41 C42 O43 -178.1(9) . .
C40 C41 C42 C37 2.2(15) . .
C38 C37 C42 O43 177.1(10) . .
C36 C37 C42 O43 1.5(15) 3_665 .
C38 C37 C42 C41 -3.3(15) . .
C36 C37 C42 C41 -178.9(10) 3_665 .
C7 C8 N9 N10 -179.1(10) . .
C7 C8 N9 Dy1 -10.7(16) . .
O22 C11 N10 N9 -2.4(15) . .
N12 C11 N10 N9 179.8(10) . .
C8 N9 N10 C11 -172.4(10) . .
Dy1 N9 N10 C11 17.7(11) . .
O22 C11 N12 N13 2.4(16) . .
N10 C11 N12 N13 -179.8(9) . .
C15 C14 N13 N12 -178.1(11) . .
C15 C14 N13 Dy2 13.9(17) . .
C11 N12 N13 C14 177.0(10) . .
C11 N12 N13 Dy2 -13.2(12) . .
C29 C30 N31 N32 179.6(12) . .
C29 C30 N31 Dy2 5(2) . .
O44 C33 N32 N31 -2.3(16) . .
N34 C33 N32 N31 178.0(10) . .
C30 N31 N32 C33 173.8(11) . .
Dy2 N31 N32 C33 -10.4(13) . .
O44 C33 N34 N35 -5.6(17) . .
N32 C33 N34 N35 174.0(10) . .
C37 C36 N35 N34 175.7(11) 2_655 .
C37 C36 N35 Dy3 -17.0(17) 2_655 .
C33 N34 N35 C36 -170.6(11) . .
C33 N34 N35 Dy3 20.3(13) . .
C3 C2 O1 Dy1 -132.6(8) . .
C7 C2 O1 Dy1 47.8(11) . .
C3 C2 O1 Dy5 61.5(11) . .
C7 C2 O1 Dy5 -118.1(8) . .
C15 C20 O21 Dy2 -32.3(17) . .
C19 C20 O21 Dy2 150.6(9) . .
N12 C11 O22 Dy2 11.3(14) . .
N10 C11 O22 Dy2 -166.4(7) . .
N12 C11 O22 Dy1 163.0(8) . .
N10 C11 O22 Dy1 -14.7(13) . .
C29 C24 O23 Dy2 -36.4(19) . .
C25 C24 O23 Dy2 147.5(12) . .
C41 C42 O43 Dy5 61.2(11) . .
C37 C42 O43 Dy5 -119.2(8) . .
C41 C42 O43 Dy3 -139.2(7) . 3_665
C37 C42 O43 Dy3 40.4(12) . 3_665
N34 C33 O44 Dy2 -164.4(8) . .
N32 C33 O44 Dy2 15.9(14) . .
N34 C33 O44 Dy3 -12.8(14) . .
N32 C33 O44 Dy3 167.5(8) . .
C94 N87 C88 C89' 110(4) . .
C90 N87 C88 C89' -131(4) . .
C92 N87 C88 C89' -12(4) . .
C94 N87 C88 C89 -67(4) . .
C90 N87 C88 C89 53(4) . .
C92 N87 C88 C89 172(4) . .
C94 N87 C90 C91 -168(3) . .
C88 N87 C90 C91 71(3) . .
C92 N87 C90 C91 -49(3) . .
C94 N87 C92 C93 62(4) . .
C88 N87 C92 C93 -176(4) . .
C90 N87 C92 C93 -57(4) . .
C88 N87 C94 C95 -58(4) . .
C90 N87 C94 C95 -178(3) . .
C92 N87 C94 C95 63(4) . .
