#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/90/7059035.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_7059035
loop_
_publ_author_name
'Huang, Yuan'
'Qin, Yaru'
'Ge, Yu'
'Cui, Yanfeng'
'Zhang, Xiamei'
'Li, Yahong'
'Yao, Jinlei'
_publ_section_title
;
 Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow
 relaxation of magnetization and Tb9 serves as luminescent sensor for
 Fe3+, CrO42- and Cr2O72-
;
_journal_issue                   48
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19344
_journal_page_last               19354
_journal_paper_doi               10.1039/C9NJ04893F
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C144 H168 Dy9 N16 O42, H3 O, 6(H2O)'
_chemical_formula_sum            'C144 H183 Dy9 N16 O49'
_chemical_formula_weight         4395.59
_space_group_crystal_system      tetragonal
_space_group_IT_number           85
_space_group_name_Hall           '-P 4a'
_space_group_name_H-M_alt        'P 4/n :2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-11-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-06 deposited with the CCDC.	2019-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.5445(3)
_cell_length_b                   21.5445(3)
_cell_length_c                   17.8651(6)
_cell_measurement_reflns_used    9755
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.28
_cell_volume                     8292.4(3)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            25516
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.677
_diffrn_reflns_theta_min         2.402
_exptl_absorpt_coefficient_mu    4.077
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.2349 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.4620.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_description       block
_exptl_crystal_F_000             4148
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.453
_refine_diff_density_min         -1.559
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         7851
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+131.9418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1133
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6416
_reflns_number_total             7851
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj04893f2.cif
_cod_data_source_block           t2_sq_s
_cod_original_cell_volume        8292.4(4)
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               7059035
#BEGIN Tags that were not found in dictionaries:
_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_max   0.496
_shelx_estimated_absorpt_t_min   0.496
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O3-H3
 0.86 with sigma of 0.005
 O1-H1
 0.86 with sigma of 0.005
3. Rigid bond restraints
 C36, N4, C35, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C34) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C35) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
5.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C21(H21A,H21B)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3A), C8(H8), C10(H10), C11(H11), C13(H13), C18(H18), C19(H19),
 C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C30(H30),
  C32(H32), C34(H34)
5.c Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C33(H33A,H33B,
 H33C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.7500 0.7500 0.71335(4) 0.01623(16) Uani 1 4 d S T P
Dy2 Dy 0.85686(2) 0.69769(2) 0.56586(2) 0.01823(10) Uani 1 1 d . . .
Dy3 Dy 0.78222(2) 0.63586(2) 0.86134(2) 0.01837(10) Uani 1 1 d . . .
O1 O 0.8422(2) 0.7805(2) 0.6451(3) 0.0176(11) Uani 1 1 d D . .
H3 H 0.854(3) 0.677(3) 0.754(4) 0.02(2) Uiso 1 1 d D . .
O2 O 0.7500 0.7500 0.5563(6) 0.019(2) Uani 1 4 d S T P
O3 O 0.8352(2) 0.7037(2) 0.7818(3) 0.0180(11) Uani 1 1 d D . .
H1 H 0.866(3) 0.803(3) 0.672(4) 0.01(2) Uiso 1 1 d D . .
O4 O 0.7500 0.7500 0.8711(6) 0.021(2) Uani 1 4 d S T P
O5 O 0.8543(3) 0.7832(3) 0.4849(3) 0.0221(12) Uani 1 1 d . . .
O6 O 0.9101(3) 0.6539(3) 0.6599(3) 0.0250(13) Uani 1 1 d . . .
O7 O 0.6984(3) 0.6538(3) 0.9421(3) 0.0231(12) Uani 1 1 d . . .
O8 O 0.8178(3) 0.5750(3) 0.7687(3) 0.0272(13) Uani 1 1 d . . .
O9 O 0.8378(3) 0.5675(3) 0.9417(4) 0.0415(17) Uani 1 1 d . . .
O10 O 0.9135(3) 0.6265(3) 0.4905(4) 0.0367(16) Uani 1 1 d . . .
O11 O 1.0431(3) 0.5356(3) 0.8187(4) 0.0414(17) Uani 1 1 d . . .
O12 O 0.9033(3) 0.4327(3) 0.6011(4) 0.0408(17) Uani 1 1 d . . .
N1 N 0.9694(3) 0.7366(3) 0.5599(4) 0.0229(15) Uani 1 1 d . . .
N2 N 0.7225(3) 0.5327(3) 0.8653(4) 0.0240(15) Uani 1 1 d . . .
N3 N 0.9450(4) 0.5762(4) 0.3860(4) 0.0323(17) Uani 1 1 d . . .
N4 N 0.8432(5) 0.4873(5) 1.0211(6) 0.054(2) Uani 1 1 d . U .
C1 C 0.8925(4) 0.7842(4) 0.4249(4) 0.0238(18) Uani 1 1 d . . .
C2 C 0.8597(4) 0.5015(4) 0.6863(5) 0.0267(19) Uani 1 1 d . . .
H2 H 0.8836 0.5323 0.6639 0.032 Uiso 1 1 calc R . .
C3 C 1.0180(4) 0.7113(4) 0.5913(5) 0.0247(18) Uani 1 1 d . . .
H3A H 1.0562 0.7270 0.5764 0.030 Uiso 1 1 calc R . .
C4 C 0.9561(4) 0.7855(4) 0.4341(5) 0.0245(18) Uani 1 1 d . . .
C5 C 0.6877(4) 0.6166(4) 1.0008(4) 0.0243(18) Uani 1 1 d . . .
C6 C 0.9660(4) 0.6383(4) 0.6796(5) 0.0254(18) Uani 1 1 d . . .
C7 C 1.0199(4) 0.6634(4) 0.6448(5) 0.0258(18) Uani 1 1 d . . .
C8 C 0.9740(4) 0.5956(4) 0.7389(5) 0.0274(19) Uani 1 1 d . . .
H8 H 0.9393 0.5794 0.7630 0.033 Uiso 1 1 calc R . .
C9 C 0.8202(4) 0.5173(4) 0.7459(5) 0.0248(18) Uani 1 1 d . . .
C10 C 0.6896(4) 0.6393(4) 1.0742(5) 0.0289(19) Uani 1 1 d . . .
H10 H 0.6980 0.6811 1.0827 0.035 Uiso 1 1 calc R . .
C11 C 0.8682(5) 0.7851(4) 0.3523(5) 0.031(2) Uani 1 1 d . . .
H11 H 0.8255 0.7864 0.3451 0.037 Uiso 1 1 calc R . .
C12 C 0.7831(4) 0.4702(4) 0.7773(5) 0.0279(19) Uani 1 1 d . . .
C13 C 0.7352(4) 0.4808(4) 0.8314(5) 0.0280(19) Uani 1 1 d . . .
H13 H 0.7105 0.4469 0.8435 0.034 Uiso 1 1 calc R . .
C14 C 1.0323(4) 0.5775(4) 0.7615(5) 0.030(2) Uani 1 1 d . . .
C15 C 0.8640(4) 0.4406(4) 0.6598(5) 0.029(2) Uani 1 1 d . . .
C16 C 0.6727(4) 0.5538(4) 0.9893(5) 0.0270(19) Uani 1 1 d . . .
C17 C 0.9822(4) 0.7915(4) 0.5129(5) 0.0286(19) Uani 1 1 d . . .
H17A H 1.0268 0.7976 0.5099 0.034 Uiso 1 1 calc R . .
H17B H 0.9645 0.8279 0.5366 0.034 Uiso 1 1 calc R . .
C18 C 0.9269(4) 0.6253(4) 0.4232(5) 0.031(2) Uani 1 1 d . . .
H18 H 0.9237 0.6624 0.3969 0.037 Uiso 1 1 calc R . .
C19 C 0.9075(6) 0.7841(4) 0.2910(5) 0.040(3) Uani 1 1 d . . .
H19 H 0.8911 0.7837 0.2429 0.048 Uiso 1 1 calc R . .
C20 C 0.6792(5) 0.6000(5) 1.1339(5) 0.037(2) Uani 1 1 d . . .
H20 H 0.6810 0.6154 1.1825 0.045 Uiso 1 1 calc R . .
C21 C 0.6644(4) 0.5316(4) 0.9102(5) 0.029(2) Uani 1 1 d . . .
H21A H 0.6485 0.4895 0.9113 0.035 Uiso 1 1 calc R . .
H21B H 0.6337 0.5574 0.8857 0.035 Uiso 1 1 calc R . .
C22 C 0.9951(5) 0.7842(5) 0.3727(5) 0.036(2) Uani 1 1 d . . .
H22 H 1.0379 0.7836 0.3798 0.043 Uiso 1 1 calc R . .
C23 C 1.0848(4) 0.6005(5) 0.7267(6) 0.037(2) Uani 1 1 d . . .
H23 H 1.1240 0.5872 0.7411 0.044 Uiso 1 1 calc R . .
C24 C 0.7890(5) 0.4097(5) 0.7482(7) 0.046(3) Uani 1 1 d . . .
H24 H 0.7640 0.3787 0.7683 0.055 Uiso 1 1 calc R . .
C25 C 1.0778(5) 0.6436(4) 0.6703(6) 0.035(2) Uani 1 1 d . . .
H25 H 1.1133 0.6602 0.6483 0.042 Uiso 1 1 calc R . .
C26 C 0.6632(4) 0.5159(5) 1.0503(5) 0.037(2) Uani 1 1 d . . .
H26 H 0.6545 0.4741 1.0426 0.045 Uiso 1 1 calc R . .
C27 C 0.8293(5) 0.3938(5) 0.6924(7) 0.047(3) Uani 1 1 d . . .
H27 H 0.8333 0.3528 0.6768 0.057 Uiso 1 1 calc R . .
C28 C 0.9483(5) 0.5155(5) 0.4203(6) 0.039(2) Uani 1 1 d . . .
H28A H 0.9904 0.5010 0.4194 0.059 Uiso 1 1 calc GR . .
H28B H 0.9224 0.4871 0.3931 0.059 Uiso 1 1 calc GR . .
H28C H 0.9342 0.5181 0.4712 0.059 Uiso 1 1 calc GR . .
C29 C 0.9602(6) 0.5809(6) 0.3064(6) 0.050(3) Uani 1 1 d . . .
H29A H 0.9299 0.5586 0.2776 0.075 Uiso 1 1 calc GR . .
H29B H 1.0006 0.5634 0.2977 0.075 Uiso 1 1 calc GR . .
H29C H 0.9602 0.6237 0.2916 0.075 Uiso 1 1 calc GR . .
C30 C 0.9714(5) 0.7836(5) 0.3012(6) 0.043(3) Uani 1 1 d . . .
H30 H 0.9979 0.7830 0.2601 0.052 Uiso 1 1 calc R . .
C31 C 0.9921(5) 0.5054(5) 0.8518(6) 0.044(3) Uani 1 1 d . . .
H31A H 0.9659 0.4885 0.8134 0.067 Uiso 1 1 calc GR . .
H31B H 0.9689 0.5345 0.8812 0.067 Uiso 1 1 calc GR . .
H31C H 1.0067 0.4724 0.8834 0.067 Uiso 1 1 calc GR . .
C32 C 0.6661(5) 0.5383(5) 1.1220(5) 0.041(2) Uani 1 1 d . . .
H32 H 0.6593 0.5119 1.1624 0.049 Uiso 1 1 calc R . .
C33 C 0.9080(6) 0.3719(6) 0.5676(7) 0.057(3) Uani 1 1 d . . .
H33A H 0.9369 0.3732 0.5268 0.085 Uiso 1 1 calc GR . .
H33B H 0.8680 0.3594 0.5493 0.085 Uiso 1 1 calc GR . .
H33C H 0.9221 0.3427 0.6044 0.085 Uiso 1 1 calc GR . .
C34 C 0.8441(7) 0.5145(7) 0.9571(9) 0.074(4) Uani 1 1 d . U .
H34 H 0.8508 0.4883 0.9165 0.088 Uiso 1 1 calc R . .
C35 C 0.8333(9) 0.5226(9) 1.0873(10) 0.099(5) Uani 1 1 d . U .
H35A H 0.8714 0.5255 1.1149 0.148 Uiso 1 1 calc GR . .
H35B H 0.8023 0.5028 1.1175 0.148 Uiso 1 1 calc GR . .
H35C H 0.8195 0.5636 1.0740 0.148 Uiso 1 1 calc GR . .
C36 C 0.8514(11) 0.4218(8) 1.0279(14) 0.130(7) Uani 1 1 d . U .
H36A H 0.8135 0.4033 1.0454 0.196 Uiso 1 1 calc GR . .
H36B H 0.8841 0.4133 1.0629 0.196 Uiso 1 1 calc GR . .
H36C H 0.8620 0.4047 0.9800 0.196 Uiso 1 1 calc GR . .
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'
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
Dy2 Dy1 Dy2 59.084(11) 4_565 2_665
O1 Dy1 Dy2 94.01(13) . 2_665
O1 Dy1 Dy2 38.54(13) 3_655 2_665
O1 Dy1 Dy2 38.54(12) 2_665 4_565
O1 Dy1 Dy2 93.48(12) 4_565 2_665
O1 Dy1 Dy2 93.48(12) . 4_565
O1 Dy1 Dy2 37.69(12) 4_565 4_565
O1 Dy1 Dy2 37.69(12) 2_665 2_665
O1 Dy1 Dy2 94.01(13) 3_655 4_565
O1 Dy1 O1 75.33(11) 2_665 4_565
O1 Dy1 O1 75.33(11) . 4_565
O1 Dy1 O1 119.6(2) . 2_665
O1 Dy1 O1 75.33(11) . 3_655
O1 Dy1 O1 119.6(2) 4_565 3_655
O1 Dy1 O1 75.33(11) 2_665 3_655
O1 Dy1 O2 59.78(12) 2_665 .
O1 Dy1 O2 59.78(12) . .
O1 Dy1 O2 59.78(12) 4_565 .
O1 Dy1 O2 59.78(12) 3_655 .
O1 Dy1 O3 142.95(18) 2_665 3_655
O1 Dy1 O3 139.86(17) 4_565 3_655
O1 Dy1 O3 73.17(17) . 3_655
O1 Dy1 O3 73.16(17) 3_655 2_665
O1 Dy1 O3 142.95(18) 4_565 2_665
O1 Dy1 O3 75.17(18) . .
O1 Dy1 O3 139.86(17) 2_665 .
O1 Dy1 O3 75.17(18) 3_655 3_655
O1 Dy1 O3 139.86(17) . 2_665
O1 Dy1 O3 142.95(18) . 4_565
O1 Dy1 O3 73.16(17) 4_565 .
O1 Dy1 O3 73.16(17) 2_665 4_565
O1 Dy1 O3 142.95(18) 3_655 .
O1 Dy1 O3 75.17(18) 4_565 4_565
O1 Dy1 O3 139.86(18) 3_655 4_565
O1 Dy1 O3 75.17(18) 2_665 2_665
O1 Dy1 O4 120.22(12) . .
O1 Dy1 O4 120.22(12) 3_655 .
O1 Dy1 O4 120.22(12) 2_665 .
O1 Dy1 O4 120.22(12) 4_565 .
O2 Dy1 Dy2 44.211(10) . 4_565
O2 Dy1 Dy2 44.211(9) . 2_665
O2 Dy1 O4 180.0 . .
O3 Dy1 Dy2 76.17(12) 4_565 4_565
O3 Dy1 Dy2 109.66(12) 4_565 2_665
O3 Dy1 Dy2 112.82(12) 3_655 2_665
O3 Dy1 Dy2 112.82(12) 2_665 4_565
O3 Dy1 Dy2 76.17(12) 2_665 2_665
O3 Dy1 Dy2 109.66(12) . 4_565
O3 Dy1 Dy2 164.44(12) 3_655 4_565
O3 Dy1 Dy2 164.44(12) . 2_665
O3 Dy1 O2 120.34(12) 2_665 .
O3 Dy1 O2 120.34(12) 3_655 .
O3 Dy1 O2 120.34(12) . .
O3 Dy1 O2 120.34(12) 4_565 .
O3 Dy1 O3 75.21(11) . 4_565
O3 Dy1 O3 75.21(11) . 3_655
O3 Dy1 O3 75.21(11) 4_565 2_665
O3 Dy1 O3 119.3(2) 3_655 4_565
O3 Dy1 O3 75.21(11) 3_655 2_665
O3 Dy1 O3 119.3(2) . 2_665
O3 Dy1 O4 59.66(12) 4_565 .
O3 Dy1 O4 59.66(12) . .
O3 Dy1 O4 59.66(12) 2_665 .
O3 Dy1 O4 59.66(12) 3_655 .
O4 Dy1 Dy2 135.789(9) . 2_665
O4 Dy1 Dy2 135.789(10) . 4_565
Dy2 Dy2 Dy1 60.457(6) 4_565 .
Dy2 Dy2 Dy1 60.457(6) 3_655 .
Dy2 Dy2 Dy2 89.998(1) 4_565 3_655
O1 Dy2 Dy1 40.07(13) . .
O1 Dy2 Dy1 40.25(13) 4_565 .
O1 Dy2 Dy2 38.19(12) 4_565 4_565
O1 Dy2 Dy2 96.99(13) . 4_565
O1 Dy2 Dy2 38.89(13) . 3_655
O1 Dy2 Dy2 96.88(13) 4_565 3_655
O1 Dy2 O1 79.4(2) . 4_565
O1 Dy2 O2 65.0(2) . .
O1 Dy2 O2 64.6(2) 4_565 .
O1 Dy2 O5 129.54(19) . 4_565
O1 Dy2 O5 74.35(18) 4_565 4_565
O1 Dy2 O5 76.55(19) . .
O1 Dy2 O5 130.37(19) 4_565 .
O1 Dy2 O10 117.9(2) 4_565 .
O1 Dy2 O10 156.9(2) . .
O1 Dy2 N1 84.4(2) . .
O1 Dy2 N1 144.2(2) 4_565 .
O2 Dy2 Dy1 49.6(2) . .
O2 Dy2 Dy2 45.127(17) . 4_565
O2 Dy2 Dy2 45.126(17) . 3_655
O5 Dy2 Dy1 99.17(13) 4_565 .
O5 Dy2 Dy1 100.79(13) . .
O5 Dy2 Dy2 103.46(14) . 4_565
O5 Dy2 Dy2 103.01(13) 4_565 3_655
O5 Dy2 Dy2 41.31(13) . 3_655
O5 Dy2 Dy2 39.66(13) 4_565 4_565
O5 Dy2 O2 66.0(2) . .
O5 Dy2 O2 64.9(2) 4_565 .
O5 Dy2 O5 88.8(3) . 4_565
O5 Dy2 O10 99.7(2) . .
O5 Dy2 N1 74.9(2) . .
O5 Dy2 N1 138.2(2) 4_565 .
O6 Dy2 Dy1 85.00(14) . .
O6 Dy2 Dy2 110.35(15) . 4_565
O6 Dy2 Dy2 124.35(15) . 3_655
O6 Dy2 O1 75.61(19) . 4_565
O6 Dy2 O1 86.3(2) . .
O6 Dy2 O2 133.9(3) . .
O6 Dy2 O5 143.7(2) . .
O6 Dy2 O5 126.0(2) . 4_565
O6 Dy2 O10 83.7(2) . .
O6 Dy2 N1 71.6(2) . .
O10 Dy2 Dy1 157.67(17) . .
O10 Dy2 Dy2 106.05(16) . 4_565
O10 Dy2 Dy2 140.95(17) . 3_655
O10 Dy2 O2 134.8(3) . .
O10 Dy2 O5 72.5(2) . 4_565
O10 Dy2 N1 72.7(2) . .
N1 Dy2 Dy1 121.41(15) . .
N1 Dy2 Dy2 177.62(15) . 4_565
N1 Dy2 Dy2 89.86(15) . 3_655
N1 Dy2 O2 134.46(15) . .
Dy3 Dy3 Dy1 60.569(6) 3_655 .
Dy3 Dy3 Dy1 60.569(6) 4_565 .
Dy3 Dy3 Dy3 90.0 3_655 4_565
O3 Dy3 Dy1 40.24(13) . .
O3 Dy3 Dy1 40.03(14) 4_565 .
O3 Dy3 Dy3 96.95(13) . 4_565
O3 Dy3 Dy3 38.32(12) . 3_655
O3 Dy3 Dy3 39.12(13) 4_565 4_565
O3 Dy3 Dy3 97.08(13) 4_565 3_655
O3 Dy3 O3 79.3(3) 4_565 .
O3 Dy3 O4 64.7(2) . .
O3 Dy3 O4 65.3(2) 4_565 .
O3 Dy3 O7 74.61(18) . 3_655
O3 Dy3 O7 129.86(19) 4_565 3_655
O3 Dy3 O7 76.60(19) 4_565 .
O3 Dy3 O7 130.38(19) . .
O3 Dy3 O9 155.8(2) 4_565 .
O3 Dy3 O9 120.5(2) . .
O3 Dy3 N2 83.3(2) 4_565 .
O3 Dy3 N2 143.4(2) . .
O4 Dy3 Dy1 49.9(2) . .
O4 Dy3 Dy3 45.133(18) . 4_565
O4 Dy3 Dy3 45.134(18) . 3_655
O4 Dy3 N2 133.89(16) . .
O7 Dy3 Dy1 100.77(13) . .
O7 Dy3 Dy1 99.48(13) 3_655 .
O7 Dy3 Dy3 103.44(14) . 3_655
O7 Dy3 Dy3 41.15(13) . 4_565
O7 Dy3 Dy3 39.83(13) 3_655 3_655
O7 Dy3 Dy3 103.07(14) 3_655 4_565
O7 Dy3 O4 65.8(2) . .
O7 Dy3 O4 65.0(2) 3_655 .
O7 Dy3 O7 88.8(3) . 3_655
O7 Dy3 O9 96.8(2) . .
O7 Dy3 N2 74.9(2) . .
O7 Dy3 N2 139.0(2) 3_655 .
O8 Dy3 Dy1 85.73(15) . .
O8 Dy3 Dy3 125.68(16) . 4_565
O8 Dy3 Dy3 110.04(15) . 3_655
O8 Dy3 O3 87.4(2) . 4_565
O8 Dy3 O3 75.55(19) . .
O8 Dy3 O4 134.7(3) . .
O8 Dy3 O7 144.4(2) . .
O8 Dy3 O7 124.9(2) . 3_655
O8 Dy3 O9 84.9(2) . .
O8 Dy3 N2 71.7(2) . .
O9 Dy3 Dy1 160.49(18) . .
O9 Dy3 Dy3 137.84(19) . 4_565
O9 Dy3 Dy3 107.10(17) . 3_655
O9 Dy3 O4 133.6(3) . .
O9 Dy3 O7 72.3(2) . 3_655
O9 Dy3 N2 72.5(2) . .
N2 Dy3 Dy1 120.27(15) . .
N2 Dy3 Dy3 178.22(15) . 3_655
N2 Dy3 Dy3 89.19(16) . 4_565
Dy2 O1 Dy1 101.2(2) 3_655 .
Dy2 O1 Dy1 102.2(2) . .
Dy2 O1 Dy2 102.9(2) . 3_655
Dy2 O2 Dy1 86.2(2) . .
Dy2 O2 Dy1 86.2(2) 3_655 .
Dy2 O2 Dy1 86.2(2) 2_665 .
Dy2 O2 Dy1 86.2(2) 4_565 .
Dy2 O2 Dy2 172.3(5) 2_665 .
Dy2 O2 Dy2 89.75(3) 3_655 .
Dy2 O2 Dy2 89.74(3) 4_565 .
Dy2 O2 Dy2 172.3(5) 3_655 4_565
Dy2 O2 Dy2 89.74(3) 3_655 2_665
Dy2 O2 Dy2 89.74(3) 4_565 2_665
Dy3 O3 Dy1 101.2(2) . .
Dy3 O3 Dy1 102.4(2) 3_655 .
Dy3 O3 Dy3 102.6(2) 3_655 .
Dy3 O4 Dy1 86.1(2) 4_565 .
Dy3 O4 Dy1 86.1(2) 3_655 .
Dy3 O4 Dy1 86.1(2) . .
Dy3 O4 Dy1 86.1(2) 2_665 .
Dy3 O4 Dy3 89.73(3) 3_655 2_665
Dy3 O4 Dy3 172.2(5) . 2_665
Dy3 O4 Dy3 89.73(3) 4_565 2_665
Dy3 O4 Dy3 172.2(5) 4_565 3_655
Dy3 O4 Dy3 89.74(3) . 4_565
Dy3 O4 Dy3 89.73(3) . 3_655
Dy2 O5 Dy2 99.03(19) . 3_655
C1 O5 Dy2 138.1(5) . 3_655
C1 O5 Dy2 119.2(5) . .
C6 O6 Dy2 141.8(5) . .
Dy3 O7 Dy3 99.02(19) . 4_565
C5 O7 Dy3 121.0(5) . .
C5 O7 Dy3 135.7(5) . 4_565
C9 O8 Dy3 142.9(6) . .
C34 O9 Dy3 142.7(9) . .
C18 O10 Dy2 133.0(6) . .
C14 O11 C31 118.7(8) . .
C15 O12 C33 118.4(8) . .
C3 N1 Dy2 127.1(6) . .
C3 N1 C17 115.3(7) . .
C17 N1 Dy2 117.5(5) . .
C13 N2 Dy3 128.7(6) . .
C13 N2 C21 114.5(7) . .
C21 N2 Dy3 116.7(5) . .
C18 N3 C28 122.0(8) . .
C18 N3 C29 120.3(9) . .
C28 N3 C29 117.6(8) . .
C34 N4 C35 119.8(13) . .
C34 N4 C36 121.6(15) . .
C35 N4 C36 118.5(15) . .
O5 C1 C4 120.7(7) . .
O5 C1 C11 120.6(8) . .
C4 C1 C11 118.7(8) . .
C15 C2 C9 121.6(9) . .
N1 C3 C7 128.3(8) . .
C1 C4 C17 118.6(7) . .
C1 C4 C22 120.6(8) . .
C22 C4 C17 120.7(8) . .
O7 C5 C10 121.2(8) . .
O7 C5 C16 120.0(7) . .
C10 C5 C16 118.7(8) . .
O6 C6 C7 122.7(8) . .
O6 C6 C8 119.0(8) . .
C8 C6 C7 118.3(8) . .
C3 C7 C6 123.5(8) . .
C25 C7 C3 118.1(8) . .
C25 C7 C6 118.1(8) . .
C14 C8 C6 121.0(8) . .
O8 C9 C2 119.3(8) . .
O8 C9 C12 122.6(8) . .
C2 C9 C12 118.1(8) . .
C20 C10 C5 120.3(9) . .
C19 C11 C1 120.4(9) . .
C9 C12 C13 124.2(8) . .
C24 C12 C9 118.0(9) . .
C24 C12 C13 117.5(9) . .
N2 C13 C12 127.1(8) . .
C8 C14 O11 123.7(9) . .
C8 C14 C23 120.9(8) . .
C23 C14 O11 115.4(8) . .
O12 C15 C2 114.8(8) . .
O12 C15 C27 124.8(8) . .
C27 C15 C2 120.4(9) . .
C5 C16 C21 118.2(8) . .
C26 C16 C5 119.3(8) . .
C26 C16 C21 122.5(8) . .
N1 C17 C4 112.9(7) . .
O10 C18 N3 125.4(9) . .
C11 C19 C30 120.2(9) . .
C32 C20 C10 120.4(9) . .
N2 C21 C16 113.7(7) . .
C30 C22 C4 120.8(10) . .
C25 C23 C14 118.8(9) . .
C27 C24 C12 124.0(10) . .
C23 C25 C7 122.8(9) . .
C32 C26 C16 121.6(10) . .
C24 C27 C15 117.9(9) . .
C22 C30 C19 119.3(9) . .
C26 C32 C20 119.6(9) . .
O9 C34 N4 130.2(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy2 3.6759(6) 4_565
Dy1 Dy2 3.6759(6) 2_665
Dy1 O1 2.421(5) .
Dy1 O1 2.421(5) 2_665
Dy1 O1 2.421(5) 4_565
Dy1 O1 2.421(5) 3_655
Dy1 O2 2.806(11) .
Dy1 O3 2.421(5) 3_655
Dy1 O3 2.421(5) 2_665
Dy1 O3 2.421(5) .
Dy1 O3 2.421(5) 4_565
Dy1 O4 2.818(11) .
Dy2 Dy2 3.6250(5) 4_565
Dy2 Dy2 3.6250(5) 3_655
Dy2 O1 2.335(5) 4_565
Dy2 O1 2.300(5) .
Dy2 O2 2.5690(8) .
Dy2 O5 2.423(5) 4_565
Dy2 O5 2.343(5) .
Dy2 O6 2.243(6) .
Dy2 O10 2.379(6) .
Dy2 N1 2.567(7) .
Dy3 Dy3 3.6135(5) 3_655
Dy3 Dy3 3.6136(5) 4_565
Dy3 O3 2.336(5) .
Dy3 O3 2.296(5) 4_565
Dy3 O4 2.5611(8) .
Dy3 O7 2.408(6) 3_655
Dy3 O7 2.343(5) .
Dy3 O8 2.246(6) .
Dy3 O9 2.380(6) .
Dy3 N2 2.570(7) .
O1 Dy2 2.335(5) 3_655
O2 Dy2 2.5690(8) 2_665
O2 Dy2 2.5690(8) 3_655
O2 Dy2 2.5690(8) 4_565
O3 Dy3 2.296(5) 3_655
O4 Dy3 2.5611(8) 3_655
O4 Dy3 2.5611(8) 4_565
O4 Dy3 2.5611(8) 2_665
O5 Dy2 2.423(5) 3_655
O5 C1 1.350(10) .
O6 C6 1.297(10) .
O7 Dy3 2.408(5) 4_565
O7 C5 1.341(10) .
O8 C9 1.308(10) .
O9 C34 1.184(16) .
O10 C18 1.235(11) .
O11 C14 1.385(11) .
O11 C31 1.408(13) .
O12 C15 1.359(11) .
O12 C33 1.443(12) .
N1 C3 1.306(11) .
N1 C17 1.477(10) .
N2 C13 1.300(11) .
N2 C21 1.487(11) .
N3 C18 1.310(11) .
N3 C28 1.446(12) .
N3 C29 1.464(12) .
N4 C34 1.285(16) .
N4 C35 1.422(18) .
N4 C36 1.427(18) .
C1 C4 1.381(12) .
C1 C11 1.399(12) .
C2 C9 1.405(12) .
C2 C15 1.400(12) .
C3 C7 1.407(12) .
C4 C17 1.521(12) .
C4 C22 1.383(12) .
C5 C10 1.399(12) .
C5 C16 1.405(12) .
C6 C7 1.423(12) .
C6 C8 1.415(12) .
C7 C25 1.397(13) .
C8 C14 1.374(12) .
C9 C12 1.409(12) .
C10 C20 1.380(13) .
C11 C19 1.383(13) .
C12 C13 1.432(12) .
C12 C24 1.408(13) .
C14 C23 1.382(14) .
C15 C27 1.383(14) .
C16 C21 1.502(12) .
C16 C26 1.377(13) .
C19 C30 1.389(16) .
C20 C32 1.376(15) .
C22 C30 1.376(14) .
C23 C25 1.378(14) .
C24 C27 1.367(16) .
C26 C32 1.371(14) .
