#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:41:36 +0200 (mar 06 de oct de 2020) $
#$Revision: 257901 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/91/7059163.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_7059163
loop_
_publ_author_name
'Lu, Jingjing'
'Li, Xiao-Lei'
'Jin, Chaoyi'
'Yu, Yang'
'Tang, Jinkui'
_publ_section_title
;
 Dysprosium-based linear helicate clusters: syntheses, structures, and
 magnetism
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              994
_journal_page_last               1000
_journal_paper_doi               10.1039/C9NJ05192A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C138 H186 Dy10 N50 Na2 O82'
_chemical_formula_sum            'C138 H186 Dy10 N50 Na2 O82'
_chemical_formula_weight         5528.34
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-05-30 deposited with the CCDC.	2019-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                95.755(2)
_cell_angle_beta                 101.601(2)
_cell_angle_gamma                113.605(2)
_cell_formula_units_Z            1
_cell_length_a                   16.2426(18)
_cell_length_b                   16.2562(17)
_cell_length_c                   22.592(2)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      24.77
_cell_measurement_theta_min      2.57
_cell_volume                     5244.7(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0464
_diffrn_reflns_av_unetI/netI     0.0858
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29093
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        24.798
_diffrn_reflns_theta_max         24.798
_diffrn_reflns_theta_min         1.501
_exptl_absorpt_coefficient_mu    3.615
_exptl_absorpt_correction_T_max  0.492
_exptl_absorpt_correction_T_min  0.376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_description       Block
_exptl_crystal_F_000             2702
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         5.793
_refine_diff_density_min         -2.044
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1296
_refine_ls_number_reflns         17803
_refine_ls_number_restraints     1150
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1082P)²+57.6998P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1716
_refine_ls_wR_factor_ref         0.2005
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12598
_reflns_number_total             17803
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05192a2.cif
_cod_data_source_block           Dy10Na2
_cod_depositor_comments
;Adding full bibliography for 7059162--7059164.cif.

 Adding full bibliography for 7059162--7059164.cif.
;
_cod_original_cell_volume        5244.7(10)
_cod_database_code               7059163
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.5155(10) 0.3041(10) 0.5559(6) 0.0320(15) Uani 1 1 d . U
C2 C 0.7488(9) 0.7532(9) 0.6401(6) 0.0234(17) Uani 1 1 d . U
C3 C 0.7059(9) 0.3641(9) 0.4199(6) 0.0274(15) Uani 1 1 d . U
C4 C 0.7129(13) 0.7634(11) 0.8384(7) 0.0475(18) Uani 1 1 d . U
H4 H 0.7714 0.8128 0.8493 0.057 Uiso 1 1 calc R U
C5 C 0.4852(10) 0.2586(10) 0.6063(7) 0.0333(17) Uani 1 1 d . U
C6 C 0.3563(10) 0.1332(10) 0.7357(6) 0.0300(19) Uani 1 1 d . U
C7 C 0.8406(10) 1.0083(10) 0.4131(6) 0.030(2) Uani 1 1 d . U
H7 H 0.9026 1.0265 0.4129 0.036 Uiso 1 1 calc R U
C8 C 0.8219(9) 0.7963(9) 0.5451(6) 0.0230(17) Uani 1 1 d . U
C9 C 0.6991(10) 0.7232(9) 0.6865(6) 0.0263(18) Uani 1 1 d . U
C10 C 0.4115(10) 0.1757(10) 0.6931(6) 0.0301(18) Uani 1 1 d . U
C11 C 0.8450(9) 0.8106(9) 0.4848(6) 0.0262(17) Uani 1 1 d . U
C12 C 0.9921(10) 0.9212(10) 0.3094(7) 0.0336(16) Uani 1 1 d . U
C13 C 0.8408(9) 0.8210(9) 0.6523(6) 0.0260(17) Uani 1 1 d . U
H13 H 0.8756 0.8511 0.6925 0.031 Uiso 1 1 calc R U
C14 C 0.8779(10) 0.8416(9) 0.6029(6) 0.0260(17) Uani 1 1 d . U
H14 H 0.9390 0.8849 0.6088 0.031 Uiso 1 1 calc R U
C15 C 1.0516(10) 0.9287(10) 0.3671(7) 0.0336(17) Uani 1 1 d . U
C16 C 0.3269(11) 0.0009(11) 0.9078(7) 0.0381(18) Uani 1 1 d . U
C17 C 1.0340(10) 0.9401(10) 0.2600(7) 0.0349(17) Uani 1 1 d . U
C18 C 0.6593(10) 0.3929(9) 0.3721(6) 0.0286(15) Uani 1 1 d . U
C19 C 0.2075(11) -0.0354(11) 0.9635(7) 0.0385(18) Uani 1 1 d . U
C20 C 0.6984(10) 0.4067(10) 0.3208(6) 0.0301(17) Uani 1 1 d . U
C21 C 0.6734(10) 0.3396(9) 0.4749(6) 0.0293(16) Uani 1 1 d . U
H21 H 0.7074 0.3173 0.5013 0.035 Uiso 1 1 calc R U
C22 C 1.0234(10) 0.9146(10) 0.4234(7) 0.0324(17) Uani 1 1 d . U
H22 H 1.0697 0.9388 0.4604 0.039 Uiso 1 1 calc R U
C23 C 0.2400(11) -0.0042(11) 0.9121(7) 0.0384(18) Uani 1 1 d . U
C24 C 0.4698(10) 0.1800(10) 0.3940(7) 0.0333(18) Uani 1 1 d . U
H24 H 0.5056 0.1961 0.3660 0.040 Uiso 1 1 calc R U
C25 C 0.5295(10) 0.2094(10) 0.6391(6) 0.0334(18) Uani 1 1 d . U
H25 H 0.5817 0.2052 0.6307 0.040 Uiso 1 1 calc R U
C26 C 0.5800(13) 0.6632(12) 0.8782(7) 0.0491(19) Uani 1 1 d . U
C27 C 0.1686(10) 0.4014(10) 0.5650(7) 0.035(3) Uani 1 1 d . U
H27 H 0.1790 0.3924 0.6054 0.042 Uiso 1 1 calc R U
C28 C 0.3703(11) 0.0347(10) 0.8596(6) 0.0364(17) Uani 1 1 d . U
H28 H 0.4289 0.0369 0.8615 0.044 Uiso 1 1 calc R U
C29 C 0.7870(10) 0.3517(9) 0.4169(6) 0.0299(16) Uani 1 1 d . U
H29 H 0.8158 0.3320 0.4486 0.036 Uiso 1 1 calc R U
C30 C 0.5453(13) 0.6463(12) 0.9305(7) 0.0488(19) Uani 1 1 d . U
C31 C 0.6658(13) 0.7405(12) 0.8863(7) 0.0497(19) Uani 1 1 d . U
C32 C 0.2568(11) -0.0665(11) 1.0057(7) 0.0409(19) Uani 1 1 d . U
H32 H 0.2330 -0.0907 1.0374 0.049 Uiso 1 1 calc R U
C33 C 0.3776(11) -0.0292(11) 0.9517(7) 0.0392(18) Uani 1 1 d . U
H33 H 0.4341 -0.0275 0.9477 0.047 Uiso 1 1 calc R U
C34 C 1.1260(10) 0.9607(10) 0.2661(7) 0.0361(18) Uani 1 1 d . U
H34 H 1.1504 0.9708 0.2323 0.043 Uiso 1 1 calc R U
C35 C 0.0954(12) -0.0617(12) 1.0192(7) 0.048(3) Uani 1 1 d . U
H35A H 0.0822 -0.1251 1.0177 0.072 Uiso 1 1 calc R U
H35B H 0.0398 -0.0538 1.0189 0.072 Uiso 1 1 calc R U
H35C H 0.1428 -0.0251 1.0562 0.072 Uiso 1 1 calc R U
C36 C 0.4909(10) 0.1693(10) 0.6829(6) 0.0324(17) Uani 1 1 d . U
H36 H 0.5174 0.1376 0.7061 0.039 Uiso 1 1 calc R U
C37 C 1.1459(10) 0.9496(10) 0.3723(7) 0.0364(17) Uani 1 1 d . U
H37 H 1.1837 0.9521 0.4099 0.044 Uiso 1 1 calc R U
C38 C 0.3447(11) -0.0607(11) 0.9997(7) 0.0399(18) Uani 1 1 d . U
H38 H 0.3798 -0.0785 1.0289 0.048 Uiso 1 1 calc R U
C39 C 0.8218(10) 0.3685(9) 0.3679(6) 0.0298(16) Uani 1 1 d . U
H39 H 0.8758 0.3622 0.3662 0.036 Uiso 1 1 calc R U
C40 C 0.7755(10) 0.3966(9) 0.3177(6) 0.0301(17) Uani 1 1 d . U
H40 H 0.7991 0.4075 0.2836 0.036 Uiso 1 1 calc R U
C41 C 0.6798(10) 0.4421(10) 0.2210(6) 0.033(3) Uani 1 1 d . U
H41A H 0.7361 0.4976 0.2291 0.050 Uiso 1 1 calc R U
H41B H 0.6325 0.4449 0.1892 0.050 Uiso 1 1 calc R U
H41C H 0.6914 0.3907 0.2078 0.050 Uiso 1 1 calc R U
C42 C 0.8827(11) 0.6903(10) 0.2633(7) 0.038(2) Uani 1 1 d . U
H42 H 0.8271 0.6726 0.2332 0.046 Uiso 1 1 calc R U
C43 C 0.5155(14) 0.7886(13) 0.7808(8) 0.057(2) Uani 1 1 d . U
H43 H 0.4761 0.7638 0.8055 0.068 Uiso 1 1 calc R U
C44 C 1.0401(11) 0.7102(11) 0.2850(7) 0.044(3) Uani 1 1 d . U
H44A H 1.0454 0.7450 0.3237 0.066 Uiso 1 1 calc R U
H44B H 1.0861 0.7474 0.2662 0.066 Uiso 1 1 calc R U
H44C H 1.0497 0.6570 0.2920 0.066 Uiso 1 1 calc R U
C45 C 1.1833(11) 0.9666(10) 0.3226(7) 0.0367(17) Uani 1 1 d . U
H45 H 1.2461 0.9819 0.3270 0.044 Uiso 1 1 calc R U
C46 C 0.7096(13) 0.8006(12) 0.9444(7) 0.051(2) Uani 1 1 d . U
H46 H 0.7647 0.8527 0.9491 0.062 Uiso 1 1 calc R U
C47 C 0.8823(12) 1.1702(10) 0.4469(8) 0.045(3) Uani 1 1 d . U
H47A H 0.9439 1.1772 0.4470 0.068 Uiso 1 1 calc R U
H47B H 0.8826 1.1963 0.4871 0.068 Uiso 1 1 calc R U
H47C H 0.8626 1.2010 0.4169 0.068 Uiso 1 1 calc R U
C48 C 0.4221(13) 0.5510(12) 0.9705(8) 0.057(3) Uani 1 1 d . U
H48A H 0.4625 0.5453 1.0056 0.086 Uiso 1 1 calc R U
H48B H 0.3648 0.4961 0.9574 0.086 Uiso 1 1 calc R U
H48C H 0.4092 0.6023 0.9816 0.086 Uiso 1 1 calc R U
C49 C 0.4125(12) 0.0818(11) 0.4628(8) 0.048(3) Uani 1 1 d . U
H49A H 0.4558 0.0854 0.5000 0.072 Uiso 1 1 calc R U
H49B H 0.3639 0.0205 0.4494 0.072 Uiso 1 1 calc R U
H49C H 0.3859 0.1236 0.4706 0.072 Uiso 1 1 calc R U
C50 C 0.5913(13) 0.7061(12) 0.9853(7) 0.051(2) Uani 1 1 d . U
H50 H 0.5663 0.6933 1.0188 0.061 Uiso 1 1 calc R U
C51 C 0.0197(11) 0.3937(12) 0.5744(8) 0.049(3) Uani 1 1 d . U
H51A H 0.0475 0.4009 0.6175 0.073 Uiso 1 1 calc R U
H51B H -0.0320 0.3343 0.5598 0.073 Uiso 1 1 calc R U
H51C H -0.0017 0.4402 0.5687 0.073 Uiso 1 1 calc R U
C52 C 1.0099(12) 0.9616(11) 0.1536(7) 0.047(3) Uani 1 1 d . U
H52A H 1.0386 0.9231 0.1424 0.071 Uiso 1 1 calc R U
H52B H 1.0554 1.0245 0.1644 0.071 Uiso 1 1 calc R U
H52C H 0.9599 0.9541 0.1194 0.071 Uiso 1 1 calc R U
C53 C 0.6723(13) 0.7840(12) 0.9947(7) 0.051(2) Uani 1 1 d . U
H53 H 0.7009 0.8239 1.0328 0.061 Uiso 1 1 calc R U
C54 C 0.0745(12) 0.4191(12) 0.4765(8) 0.052(4) Uani 1 1 d . U
H54A H 0.1324 0.4608 0.4705 0.078 Uiso 1 1 calc R U
H54B H 0.0306 0.4451 0.4702 0.078 Uiso 1 1 calc R U
H54C H 0.0504 0.3622 0.4475 0.078 Uiso 1 1 calc R U
C55 C 0.7244(11) 1.0503(12) 0.4287(8) 0.050(3) Uani 1 1 d . U
H55A H 0.6889 1.0336 0.3864 0.075 Uiso 1 1 calc R U
H55B H 0.7189 1.1017 0.4493 0.075 Uiso 1 1 calc R U
H55C H 0.7011 0.9994 0.4486 0.075 Uiso 1 1 calc R U
C56 C 0.9365(13) 0.6426(13) 0.1830(8) 0.061(4) Uani 1 1 d . U
H56A H 0.8778 0.6367 0.1588 0.092 Uiso 1 1 calc R U
H56B H 0.9360 0.5831 0.1809 0.092 Uiso 1 1 calc R U
H56C H 0.9858 0.6811 0.1670 0.092 Uiso 1 1 calc R U
C57 C 0.6359(15) 0.9242(14) 0.7637(9) 0.074(4) Uani 1 1 d . U
H57A H 0.6473 0.8808 0.7385 0.111 Uiso 1 1 calc R U
H57B H 0.6932 0.9662 0.7930 0.111 Uiso 1 1 calc R U
H57C H 0.6120 0.9575 0.7380 0.111 Uiso 1 1 calc R U
C58 C 0.5028(13) 0.0502(12) 0.3961(9) 0.060(4) Uani 1 1 d . U
H58A H 0.4597 -0.0133 0.3885 0.090 Uiso 1 1 calc R U
H58B H 0.5575 0.0615 0.4277 0.090 Uiso 1 1 calc R U
H58C H 0.5200 0.0649 0.3589 0.090 Uiso 1 1 calc R U
C59 C 0.5700(17) 0.9284(15) 0.8547(10) 0.084(4) Uani 1 1 d . U
H59A H 0.5261 0.8893 0.8740 0.126 Uiso 1 1 calc R U
H59B H 0.5544 0.9777 0.8457 0.126 Uiso 1 1 calc R U
H59C H 0.6316 0.9531 0.8820 0.126 Uiso 1 1 calc R U
C60 C 0.3656(19) 0.748(2) 0.9233(13) 0.117(5) Uani 1 1 d D U
H60A H 0.3887 0.7066 0.9081 0.175 Uiso 1 1 calc R U
H60B H 0.3407 0.7286 0.9572 0.175 Uiso 1 1 calc R U
H60C H 0.4155 0.8087 0.9369 0.175 Uiso 1 1 calc R U
C61 C 0.2822(19) 0.812(2) 0.7774(12) 0.110(4) Uani 1 1 d D U
H61A H 0.2622 0.8560 0.7948 0.132 Uiso 1 1 calc R U
H61B H 0.2276 0.7566 0.7557 0.132 Uiso 1 1 calc R U
C62 C 0.3393(17) 0.8504(16) 0.7366(11) 0.092(3) Uani 1 1 d D U
H62A H 0.3859 0.9109 0.7565 0.138 Uiso 1 1 calc R U
H62B H 0.3009 0.8533 0.6993 0.138 Uiso 1 1 calc R U
H62C H 0.3690 0.8122 0.7269 0.138 Uiso 1 1 calc R U
C63 C 0.2938(19) 0.749(2) 0.8750(12) 0.110(4) Uani 1 1 d D U
H63A H 0.2641 0.7838 0.8911 0.133 Uiso 1 1 calc R U
H63B H 0.2468 0.6865 0.8571 0.133 Uiso 1 1 calc R U
C64 C 0.6929(17) 0.5233(16) 0.7764(11) 0.084(3) Uani 1 1 d D U
H64 H 0.7282 0.5794 0.8036 0.101 Uiso 1 1 calc R U
C65 C 0.6929(16) 0.3724(14) 0.7511(11) 0.085(3) Uani 1 1 d D U
H65A H 0.6292 0.3527 0.7285 0.128 Uiso 1 1 calc R U
H65B H 0.6957 0.3352 0.7811 0.128 Uiso 1 1 calc R U
H65C H 0.7283 0.3665 0.7230 0.128 Uiso 1 1 calc R U
C66 C 0.8292(16) 0.4995(17) 0.8212(12) 0.096(4) Uani 1 1 d D U
C67 C 0.561(2) 0.3211(18) 0.8600(13) 0.124(4) Uani 1 1 d D U
C68 C 0.618(2) 0.2009(19) 0.8608(15) 0.136(6) Uani 1 1 d D U
H68A H 0.5738 0.1573 0.8777 0.204 Uiso 1 1 calc R U
H68B H 0.6773 0.1988 0.8735 0.204 Uiso 1 1 calc R U
H68C H 0.5969 0.1861 0.8166 0.204 Uiso 1 1 calc R U
C69 C 0.714(2) 0.350(2) 0.9315(14) 0.136(6) Uani 1 1 d D U
Dy1 Dy 0.17950(4) 0.06786(5) 0.78732(3) 0.02745(18) Uani 1 1 d . .
Dy2 Dy 0.79037(4) 0.79334(4) 0.33969(3) 0.01817(15) Uani 1 1 d . .
Dy3 Dy 0.35748(4) 0.37576(4) 0.56801(2) 0.01514(15) Uani 1 1 d . .
Dy4 Dy 0.48047(4) 0.39265(4) 0.43734(2) 0.01549(15) Uani 1 1 d . .
Dy5 Dy 0.51741(4) 0.58896(4) 0.72344(3) 0.02179(16) Uani 1 1 d . .
N1 N 0.4131(7) 0.2662(6) 0.6181(4) 0.017(2) Uani 1 1 d . U
N2 N 0.6049(7) 0.3454(6) 0.4904(4) 0.017(2) Uani 1 1 d . .
N3 N 0.3739(7) 0.2252(6) 0.6609(4) 0.016(2) Uani 1 1 d . U
N4 N 0.6790(8) 0.7193(7) 0.7803(5) 0.026(2) Uani 1 1 d . .
N5 N 0.3918(8) 0.0967(8) 0.7751(5) 0.028(3) Uani 1 1 d . .
N6 N 0.9370(7) 0.8700(7) 0.4257(5) 0.023(2) Uani 1 1 d . .
N7 N 0.5893(7) 0.3047(7) 0.5424(5) 0.022(2) Uani 1 1 d . .
N8 N 0.7340(6) 0.7305(6) 0.5356(4) 0.014(2) Uani 1 1 d . .
N9 N 0.7408(8) 0.7603(7) 0.7450(4) 0.030(3) Uani 1 1 d . .
N10 N 0.6989(7) 0.7115(7) 0.5830(5) 0.021(2) Uani 1 1 d . .
N11 N 0.9289(7) 0.8678(7) 0.4874(5) 0.026(2) Uani 1 1 d . .
N12 N 0.8187(9) 1.0739(8) 0.4314(5) 0.034(3) Uani 1 1 d . .
N13 N 0.0911(11) -0.1148(9) 0.7132(6) 0.050(4) Uani 1 1 d . .
N14 N 0.3324(8) 0.0622(8) 0.8138(5) 0.030(3) Uani 1 1 d . .
N15 N 0.0899(8) 0.4025(8) 0.5393(6) 0.034(3) Uani 1 1 d . .
N16 N 0.4605(9) 0.1055(8) 0.4154(7) 0.043(3) Uani 1 1 d . .
N17 N 0.3530(8) 0.3808(9) 0.7171(6) 0.038(3) Uani 1 1 d . .
N18 N 0.2834(13) 0.2706(11) 0.8573(6) 0.054(4) Uani 1 1 d . .
N19 N 0.9511(9) 0.6827(10) 0.2459(6) 0.048(4) Uani 1 1 d . .
N20 N 0.7477(11) 0.2164(11) 0.5903(7) 0.050(4) Uani 1 1 d . .
N21 N 0.5671(14) 0.8751(11) 0.7970(9) 0.087(6) Uani 1 1 d . .
N22 N 0.8353(12) 0.5256(11) 0.6617(8) 0.065(4) Uani 1 1 d D U
N23 N 0.8405(16) 0.1988(19) 0.8644(9) 0.099(8) Uani 1 1 d . .
N24 N 0.7299(14) 0.4644(13) 0.7810(9) 0.083(4) Uani 1 1 d . U
N25 N 0.6284(19) 0.2926(18) 0.8831(12) 0.158(7) Uani 1 1 d D U
Na1 Na 0.4567(6) 0.4396(4) 0.8440(3) 0.0546(18) Uani 1 1 d . .
O1 O 0.7787(5) 0.7638(5) 0.4368(3) 0.0155(17) Uani 1 1 d . .
O2 O 0.4618(6) 0.3374(6) 0.5273(4) 0.0215(19) Uani 1 1 d . .
O3 O 0.3109(5) 0.3671(5) 0.6581(3) 0.0174(18) Uani 1 1 d . .
O4 O 0.4964(6) 0.4884(5) 0.6239(4) 0.0171(18) Uani 1 1 d D .
O5 O 0.7903(6) 0.9264(6) 0.3962(4) 0.027(2) Uani 1 1 d . .
O6 O 0.6140(5) 0.6590(5) 0.6649(3) 0.0190(18) Uani 1 1 d . .
O7 O 0.4310(6) 0.4455(6) 0.7405(4) 0.024(2) Uani 1 1 d . .
O8 O 0.5848(6) 0.4061(6) 0.3737(4) 0.0227(19) Uani 1 1 d . .
O9 O 0.6223(8) 0.5177(7) 0.7437(4) 0.044(2) Uani 1 1 d . U
O10 O 0.2304(6) 0.4118(6) 0.5381(4) 0.0239(19) Uani 1 1 d . .
O11 O 0.6493(6) 0.4319(6) 0.2757(4) 0.024(2) Uani 1 1 d . .
O12 O 0.8858(6) 0.7203(6) 0.3185(4) 0.029(2) Uani 1 1 d . .
O13 O 0.5932(5) 0.5325(5) 0.5031(4) 0.0164(17) Uani 1 1 d D .
O14 O 0.2785(6) 0.1398(6) 0.7306(4) 0.024(2) Uani 1 1 d . .
O15 O 0.3108(6) 0.3239(6) 0.7476(4) 0.0224(19) Uani 1 1 d . U
O16 O 0.9025(6) 0.9008(6) 0.3002(4) 0.0237(19) Uani 1 1 d . .
O17 O 0.5344(7) 0.6037(7) 0.8263(4) 0.035(2) Uani 1 1 d . .
O18 O 0.9727(7) 0.9354(7) 0.2073(4) 0.038(3) Uani 1 1 d . .
O19 O 0.1270(8) -0.0337(8) 0.9667(5) 0.048(3) Uani 1 1 d . .
O20 O 0.5112(8) 0.7346(7) 0.7378(4) 0.043(3) Uani 1 1 d . .
O21 O 0.1896(7) 0.0203(7) 0.8725(4) 0.039(3) Uani 1 1 d . .
O22 O 0.4339(7) 0.2296(6) 0.4088(4) 0.032(2) Uani 1 1 d . .
O23 O 0.1724(7) -0.0592(7) 0.7119(5) 0.047(3) Uani 1 1 d . .
O24 O 0.4671(8) 0.5651(8) 0.9206(4) 0.050(3) Uani 1 1 d . .
O25 O 0.0518(8) -0.0873(8) 0.7475(6) 0.053(3) Uani 1 1 d . .
O26 O 0.3091(11) 0.3522(9) 0.8779(5) 0.067(4) Uani 1 1 d . .
O27 O 0.7510(8) 0.2507(9) 0.6432(5) 0.057(3) Uani 1 1 d . .
O28 O 0.6807(12) 0.1412(10) 0.5650(8) 0.089(5) Uani 1 1 d . .
O29 O 0.2010(10) 0.2156(9) 0.8348(6) 0.066(4) Uani 1 1 d . .
O30 O 0.8054(9) 0.2580(11) 0.5635(6) 0.073(4) Uani 1 1 d . .
O31 O 0.6718(9) 0.1307(10) 0.7229(7) 0.075(4) Uani 1 1 d . .
O32 O 0.0551(10) -0.1926(9) 0.6831(7) 0.072(4) Uani 1 1 d . .
O33 O 0.3432(14) 0.2418(13) 0.8621(7) 0.103(6) Uani 1 1 d . .
O34 O 0.7999(17) 0.1210(15) 0.8535(9) 0.125(8) Uani 1 1 d . .
O35 O 0.8994(19) 0.2379(17) 0.9120(11) 0.180(12) Uani 1 1 d . .
O36 O 0.8349(16) 0.2555(18) 0.8323(10) 0.153(9) Uani 1 1 d . .
O37 O 0.889(2) 0.487(2) 0.6623(18) 0.265(17) Uani 1 1 d D U
O38 O 0.875(2) 0.6115(16) 0.6878(18) 0.280(18) Uani 1 1 d D U
O39 O 0.7477(15) 0.5025(18) 0.6281(13) 0.190(11) Uani 1 1 d D U
O40 O 0.3421(16) 0.7942(15) 0.8240(11) 0.137(7) Uani 1 1 d . U
O41 O 0.5699(16) 0.3985(16) 0.8794(10) 0.144(8) Uani 1 1 d D U
H4A H 0.536(7) 0.467(8) 0.631(6) 0.03(4) Uiso 1 1 d D .
H13A H 0.627(6) 0.504(7) 0.508(5) 0.01(3) Uiso 1 1 d D .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Na Na 0.0362 0.0249 '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
N7 C1 O2 125.7(12) . .
N7 C1 C5 118.7(12) . .
O2 C1 C5 115.6(12) . .
N10 C2 C13 121.0(11) . .
N10 C2 C9 113.7(12) . .
C13 C2 C9 125.2(12) . .
C18 C3 C29 121.9(11) . .
C18 C3 C21 124.2(12) . .
C29 C3 C21 113.8(12) . .
N4 C4 C31 124.8(16) . .
N1 C5 C25 122.5(13) . .
N1 C5 C1 113.5(12) . .
C25 C5 C1 124.0(13) . .
N5 C6 O14 126.9(12) . .
N5 C6 C10 117.0(12) . .
O14 C6 C10 116.1(11) . .
O5 C7 N12 128.4(14) . .
N8 C8 C14 122.2(11) . .
N8 C8 C11 110.6(11) . .
C14 C8 C11 127.2(12) . .
O6 C9 N9 125.3(12) . .
O6 C9 C2 115.1(11) . .
N9 C9 C2 119.6(12) . .
N3 C10 C36 120.5(12) . .
N3 C10 C6 111.0(11) . .
C36 C10 C6 128.4(12) . .
O1 C11 N11 127.7(11) . .
O1 C11 C8 115.4(11) . .
N11 C11 C8 116.9(12) . .
O16 C12 C15 124.0(12) . .
O16 C12 C17 119.4(13) . .
C15 C12 C17 116.5(13) . .
C14 C13 C2 118.0(12) . .
C8 C14 C13 117.7(13) . .
C37 C15 C12 120.1(13) . .
C37 C15 C22 114.6(13) . .
C12 C15 C22 125.3(13) . .
C23 C16 C33 120.1(13) . .
C23 C16 C28 124.5(13) . .
C33 C16 C28 115.4(13) . .
O18 C17 C34 125.2(13) . .
O18 C17 C12 112.4(12) . .
C34 C17 C12 122.4(14) . .
O8 C18 C3 123.5(11) . .
O8 C18 C20 121.1(12) . .
C3 C18 C20 115.3(12) . .
O19 C19 C32 123.7(13) . .
O19 C19 C23 115.3(13) . .
C32 C19 C23 121.1(14) . .
C40 C20 O11 124.0(12) . .
C40 C20 C18 123.3(13) . .
O11 C20 C18 112.6(11) . .
N2 C21 C3 127.8(13) . .
N6 C22 C15 124.4(13) . .
O21 C23 C16 122.8(12) . .
O21 C23 C19 118.8(14) . .
C16 C23 C19 118.4(13) . .
O22 C24 N16 123.6(14) . .
C36 C25 C5 116.3(13) . .
O17 C26 C30 118.4(15) . .
O17 C26 C31 123.8(14) . .
C30 C26 C31 117.7(15) . .
O10 C27 N15 122.9(14) . .
N14 C28 C16 124.1(14) . .
C39 C29 C3 119.6(13) . .
C50 C30 O24 125.6(15) . .
C50 C30 C26 120.0(16) . .
O24 C30 C26 114.3(14) . .
C46 C31 C26 119.4(15) . .
C46 C31 C4 116.5(16) . .
C26 C31 C4 124.2(15) . .
C19 C32 C38 119.0(13) . .
C38 C33 C16 120.7(15) . .
C17 C34 C45 120.5(13) . .
C25 C36 C10 120.0(13) . .
C45 C37 C15 121.2(14) . .
C33 C38 C32 120.6(14) . .
C29 C39 C40 120.2(13) . .
C20 C40 C39 119.6(12) . .
O12 C42 N19 124.9(15) . .
O20 C43 N21 128.9(19) . .
C37 C45 C34 119.3(14) . .
C53 C46 C31 121.6(16) . .
C30 C50 C53 124.2(16) . .
C50 C53 C46 116.9(15) . .
O40 C61 C62 104(2) . .
C60 C63 O40 107(2) . .
O9 C64 N24 132(2) . .
O41 C67 N25 121(3) . .
O41 C67 Na1 39.3(16) . .
N25 C67 Na1 160(2) . .
O21 Dy1 O14 137.1(3) . .
O21 Dy1 O16 153.0(3) . 2_666
O14 Dy1 O16 69.7(3) . 2_666
O21 Dy1 O29 93.7(4) . .
O14 Dy1 O29 87.8(4) . .
O16 Dy1 O29 83.0(4) 2_666 .
O21 Dy1 O25 82.9(4) . .
O14 Dy1 O25 122.2(4) . .
O16 Dy1 O25 82.0(3) 2_666 .
O29 Dy1 O25 138.4(4) . .
O21 Dy1 N14 73.7(4) . .
O14 Dy1 N14 65.1(3) . .
O16 Dy1 N14 132.8(3) 2_666 .
O29 Dy1 N14 107.7(4) . .
O25 Dy1 N14 110.9(4) . .
O21 Dy1 O18 89.1(3) . 2_666
O14 Dy1 O18 130.8(3) . 2_666
O16 Dy1 O18 64.5(3) 2_666 2_666
O29 Dy1 O18 70.0(4) . 2_666
O25 Dy1 O18 68.5(4) . 2_666
N14 Dy1 O18 162.7(3) . 2_666
O21 Dy1 O23 103.3(4) . .
O14 Dy1 O23 75.5(3) . .
O16 Dy1 O23 84.5(3) 2_666 .
O29 Dy1 O23 161.8(4) . .
O25 Dy1 O23 51.7(4) . .
N14 Dy1 O23 72.0(4) . .
O18 Dy1 O23 115.8(4) 2_666 .
O21 Dy1 N13 93.3(4) . .
O14 Dy1 N13 99.3(4) . .
O16 Dy1 N13 82.5(3) 2_666 .
O29 Dy1 N13 160.4(5) . .
O25 Dy1 N13 25.5(4) . .
N14 Dy1 N13 91.8(4) . .
O18 Dy1 N13 91.9(4) 2_666 .
O23 Dy1 N13 26.2(4) . .
O21 Dy1 Dy2 166.0(3) . 2_666
O14 Dy1 Dy2 35.4(2) . 2_666
O16 Dy1 Dy2 36.3(2) 2_666 2_666
O29 Dy1 Dy2 75.6(3) . 2_666
O25 Dy1 Dy2 111.1(3) . 2_666
N14 Dy1 Dy2 100.5(2) . 2_666
O18 Dy1 Dy2 95.6(2) 2_666 2_666
O23 Dy1 Dy2 86.6(3) . 2_666
N13 Dy1 Dy2 99.7(3) . 2_666
O1 Dy2 O14 134.1(3) . 2_666
O1 Dy2 O16 135.7(3) . .
O14 Dy2 O16 68.7(3) 2_666 .
O1 Dy2 O15 118.0(3) . 2_666
O14 Dy2 O15 72.3(3) 2_666 2_666
O16 Dy2 O15 104.7(3) . 2_666
O1 Dy2 O12 100.7(3) . .
O14 Dy2 O12 124.9(3) 2_666 .
O16 Dy2 O12 75.7(3) . .
O15 Dy2 O12 77.9(3) 2_666 .
O1 Dy2 O5 73.7(3) . .
O14 Dy2 O5 71.6(3) 2_666 .
O16 Dy2 O5 84.3(3) . .
O15 Dy2 O5 136.3(3) 2_666 .
O12 Dy2 O5 144.5(3) . .
O1 Dy2 O3 64.6(3) . 2_666
O14 Dy2 O3 114.9(3) 2_666 2_666
O16 Dy2 O3 150.6(3) . 2_666
O15 Dy2 O3 54.0(3) 2_666 2_666
O12 Dy2 O3 79.6(3) . 2_666
O5 Dy2 O3 125.0(3) . 2_666
O1 Dy2 N6 63.3(3) . .
O14 Dy2 N6 128.6(3) 2_666 .
O16 Dy2 N6 73.3(3) . .
O15 Dy2 N6 152.4(3) 2_666 .
O12 Dy2 N6 74.9(3) . .
O5 Dy2 N6 71.3(3) . .
O3 Dy2 N6 115.2(3) 2_666 .
O1 Dy2 N3 77.1(3) . 2_666
O14 Dy2 N3 62.3(3) 2_666 2_666
O16 Dy2 N3 128.8(3) . 2_666
O15 Dy2 N3 74.5(3) 2_666 2_666
O12 Dy2 N3 147.0(3) . 2_666
O5 Dy2 N3 67.3(3) . 2_666
O3 Dy2 N3 69.6(3) 2_666 2_666
N6 Dy2 N3 128.9(3) . 2_666
O1 Dy2 N17 91.2(3) . 2_666
O14 Dy2 N17 90.3(4) 2_666 2_666
O16 Dy2 N17 130.7(3) . 2_666
O15 Dy2 N17 26.7(3) 2_666 2_666
O12 Dy2 N17 82.2(3) . 2_666
O5 Dy2 N17 132.0(3) . 2_666
O3 Dy2 N17 28.1(3) 2_666 2_666
N6 Dy2 N17 141.1(4) . 2_666
N3 Dy2 N17 65.0(3) 2_666 2_666
O1 Dy2 Dy1 157.3(2) . 2_666
O14 Dy2 Dy1 34.17(19) 2_666 2_666
O16 Dy2 Dy1 36.5(2) . 2_666
O15 Dy2 Dy1 80.1(2) 2_666 2_666
O12 Dy2 Dy1 96.3(2) . 2_666
O5 Dy2 Dy1 83.7(2) . 2_666
O3 Dy2 Dy1 133.94(18) 2_666 2_666
N6 Dy2 Dy1 107.6(2) . 2_666
N3 Dy2 Dy1 96.5(2) 2_666 2_666
N17 Dy2 Dy1 105.9(3) 2_666 2_666
O1 Dy2 Dy3 34.71(19) . 2_666
O14 Dy2 Dy3 120.78(19) 2_666 2_666
O16 Dy2 Dy3 169.4(2) . 2_666
O15 Dy2 Dy3 83.7(2) 2_666 2_666
O12 Dy2 Dy3 100.1(2) . 2_666
O5 Dy2 Dy3 94.1(2) . 2_666
O3 Dy2 Dy3 33.12(17) 2_666 2_666
N6 Dy2 Dy3 96.2(2) . 2_666
N3 Dy2 Dy3 59.3(2) 2_666 2_666
N17 Dy2 Dy3 57.1(3) 2_666 2_666
Dy1 Dy2 Dy3 153.92(2) 2_666 2_666
O4 Dy3 O3 87.8(3) . .
O4 Dy3 O2 78.3(3) . .
O3 Dy3 O2 136.0(3) . .
O4 Dy3 O13 76.9(3) . 2_666
O3 Dy3 O13 146.1(3) . 2_666
O2 Dy3 O13 70.5(3) . 2_666
O4 Dy3 O10 118.8(3) . .
O3 Dy3 O10 81.8(3) . .
O2 Dy3 O10 141.3(3) . .
O13 Dy3 O10 79.7(3) 2_666 .
O4 Dy3 O1 148.7(3) . 2_666
O3 Dy3 O1 65.6(3) . 2_666
O2 Dy3 O1 108.9(3) . 2_666
O13 Dy3 O1 134.4(3) 2_666 2_666
O10 Dy3 O1 75.2(3) . 2_666
O4 Dy3 N8 145.8(3) . 2_666
O3 Dy3 N8 125.9(3) . 2_666
O2 Dy3 N8 73.0(3) . 2_666
O13 Dy3 N8 76.3(3) 2_666 2_666
O10 Dy3 N8 76.4(3) . 2_666
O1 Dy3 N8 61.2(3) 2_666 2_666
O4 Dy3 N1 85.8(3) . .
O3 Dy3 N1 74.7(3) . .
O2 Dy3 N1 62.9(3) . .
O13 Dy3 N1 132.7(3) 2_666 .
O10 Dy3 N1 145.2(3) . .
O1 Dy3 N1 71.9(3) 2_666 .
N8 Dy3 N1 97.2(3) 2_666 .
O4 Dy3 Dy4 40.7(2) . 2_666
O3 Dy3 Dy4 113.34(19) . 2_666
O2 Dy3 Dy4 82.0(2) . 2_666
O13 Dy3 Dy4 39.35(19) 2_666 2_666
O10 Dy3 Dy4 90.5(2) . 2_666
O1 Dy3 Dy4 165.74(19) 2_666 2_666
N8 Dy3 Dy4 115.6(2) 2_666 2_666
N1 Dy3 Dy4 122.1(2) . 2_666
O4 Dy3 Dy4 84.0(2) . .
O3 Dy3 Dy4 168.7(2) . .
O2 Dy3 Dy4 34.18(19) . .
O13 Dy3 Dy4 38.44(19) 2_666 .
O10 Dy3 Dy4 109.1(2) . .
O1 Dy3 Dy4 119.46(17) 2_666 .
N8 Dy3 Dy4 61.8(2) 2_666 .
N1 Dy3 Dy4 96.8(2) . .
Dy4 Dy3 Dy4 64.506(17) 2_666 .
O4 Dy3 Dy2 116.2(2) . 2_666
O3 Dy3 Dy2 35.89(19) . 2_666
O2 Dy3 Dy2 117.7(2) . 2_666
O13 Dy3 Dy2 165.0(2) 2_666 2_666
O10 Dy3 Dy2 87.2(2) . 2_666
O1 Dy3 Dy2 32.97(16) 2_666 2_666
N8 Dy3 Dy2 93.7(2) 2_666 2_666
N1 Dy3 Dy2 58.9(2) . 2_666
Dy4 Dy3 Dy2 149.114(19) 2_666 2_666
Dy4 Dy3 Dy2 144.486(19) . 2_666
O2 Dy4 O6 132.1(3) . 2_666
O2 Dy4 O13 86.2(3) . .
O6 Dy4 O13 138.4(3) 2_666 .
O2 Dy4 O8 135.1(3) . .
O6 Dy4 O8 74.4(3) 2_666 .
O13 Dy4 O8 89.2(3) . .
O2 Dy4 O22 75.0(3) . .
O6 Dy4 O22 71.9(3) 2_666 .
O13 Dy4 O22 145.4(3) . .
O8 Dy4 O22 84.4(3) . .
O2 Dy4 O4 152.7(3) . 2_666
O6 Dy4 O4 65.4(3) 2_666 2_666
O13 Dy4 O4 73.0(3) . 2_666
O8 Dy4 O4 63.7(3) . 2_666
O22 Dy4 O4 131.8(3) . 2_666
O2 Dy4 O13 68.1(3) . 2_666
O6 Dy4 O13 106.8(3) 2_666 2_666
O13 Dy4 O13 68.7(3) . 2_666
O8 Dy4 O13 148.3(3) . 2_666
O22 Dy4 O13 126.6(3) . 2_666
O4 Dy4 O13 87.6(3) 2_666 2_666
O2 Dy4 N2 63.5(3) . .
O6 Dy4 N2 128.8(3) 2_666 .
O13 Dy4 N2 78.1(3) . .
O8 Dy4 N2 71.8(3) . .
O22 Dy4 N2 67.6(3) . .
O4 Dy4 N2 126.3(3) 2_666 .
O13 Dy4 N2 122.1(3) 2_666 .
O2 Dy4 N10 74.0(3) . 2_666
O6 Dy4 N10 61.0(3) 2_666 2_666
O13 Dy4 N10 137.2(3) . 2_666
O8 Dy4 N10 131.4(3) . 2_666
O22 Dy4 N10 64.9(3) . 2_666
O4 Dy4 N10 109.5(3) 2_666 2_666
O13 Dy4 N10 68.7(3) 2_666 2_666
N2 Dy4 N10 122.3(3) . 2_666
O2 Dy4 Dy3 125.0(2) . 2_666
O6 Dy4 Dy3 101.20(19) 2_666 2_666
O13 Dy4 Dy3 38.77(19) . 2_666
O8 Dy4 Dy3 62.7(2) . 2_666
O22 Dy4 Dy3 146.8(2) . 2_666
O4 Dy4 Dy3 37.18(19) 2_666 2_666
O13 Dy4 Dy3 86.51(18) 2_666 2_666
N2 Dy4 Dy3 96.1(2) . 2_666
N10 Dy4 Dy3 141.0(2) 2_666 2_666
O2 Dy4 Dy5 163.9(2) . 2_666
O6 Dy4 Dy5 36.81(18) 2_666 2_666
O13 Dy4 Dy5 108.67(19) . 2_666
O8 Dy4 Dy5 42.38(19) . 2_666
O22 Dy4 Dy5 89.0(2) . 2_666
O4 Dy4 Dy5 42.95(18) 2_666 2_666
O13 Dy4 Dy5 122.44(18) 2_666 2_666
N2 Dy4 Dy5 112.4(2) . 2_666
N10 Dy4 Dy5 97.7(2) 2_666 2_666
Dy3 Dy4 Dy5 70.095(16) 2_666 2_666
O2 Dy4 Dy3 34.3(2) . .
O6 Dy4 Dy3 117.51(19) 2_666 .
O13 Dy4 Dy3 83.72(19) . .
O8 Dy4 Dy3 167.50(19) . .
O22 Dy4 Dy3 95.6(2) . .
O4 Dy4 Dy3 123.30(19) 2_666 .
O13 Dy4 Dy3 35.76(18) 2_666 .
N2 Dy4 Dy3 96.6(2) . .
N10 Dy4 Dy3 58.6(2) 2_666 .
Dy3 Dy4 Dy3 115.494(17) 2_666 .
Dy5 Dy4 Dy3 150.05(2) 2_666 .
O17 Dy5 O6 133.2(3) . .
O17 Dy5 O7 73.2(3) . .
O6 Dy5 O7 141.2(3) . .
O17 Dy5 O20 84.6(4) . .
O6 Dy5 O20 81.4(3) . .
O7 Dy5 O20 135.2(3) . .
O17 Dy5 O9 83.1(4) . .
O6 Dy5 O9 81.6(3) . .
O7 Dy5 O9 73.6(3) . .
O20 Dy5 O9 142.5(4) . .
O17 Dy5 O8 142.0(3) . 2_666
O6 Dy5 O8 73.7(3) . 2_666
O7 Dy5 O8 102.1(3) . 2_666
O20 Dy5 O8 72.5(3) . 2_666
O9 Dy5 O8 132.8(3) . 2_666
O17 Dy5 O4 147.0(3) . .
O6 Dy5 O4 65.2(3) . .
O7 Dy5 O4 78.9(3) . .
O20 Dy5 O4 128.2(3) . .
O9 Dy5 O4 72.2(3) . .
O8 Dy5 O4 61.1(3) 2_666 .
O17 Dy5 N4 70.9(3) . .
O6 Dy5 N4 62.4(3) . .
O7 Dy5 N4 133.5(3) . .
O20 Dy5 N4 68.8(4) . .
O9 Dy5 N4 73.7(3) . .
O8 Dy5 N4 124.3(3) 2_666 .
O4 Dy5 N4 120.2(3) . .
O17 Dy5 O11 81.6(3) . 2_666
O6 Dy5 O11 132.3(3) . 2_666
O7 Dy5 O11 69.3(3) . 2_666
O20 Dy5 O11 69.2(3) . 2_666
O9 Dy5 O11 142.6(3) . 2_666
O8 Dy5 O11 62.2(3) 2_666 2_666
O4 Dy5 O11 104.9(3) . 2_666
N4 Dy5 O11 131.2(3) . 2_666
O17 Dy5 Dy4 170.0(2) . 2_666
O6 Dy5 Dy4 38.21(19) . 2_666
O7 Dy5 Dy4 116.8(2) . 2_666
O20 Dy5 Dy4 88.2(2) . 2_666
O9 Dy5 Dy4 98.6(2) . 2_666
O8 Dy5 Dy4 40.19(18) 2_666 2_666
O4 Dy5 Dy4 41.29(18) . 2_666
N4 Dy5 Dy4 100.0(2) . 2_666
O11 Dy5 Dy4 102.34(17) 2_666 2_666
O17 Dy5 Na1 40.1(3) . .
O6 Dy5 Na1 151.2(2) . .
O7 Dy5 Na1 33.7(2) . .
O20 Dy5 Na1 118.3(3) . .
O9 Dy5 Na1 70.1(3) . .
O8 Dy5 Na1 130.1(2) 2_666 .
O4 Dy5 Na1 109.0(2) . .
N4 Dy5 Na1 103.3(3) . .
O11 Dy5 Na1 76.3(2) 2_666 .
Dy4 Dy5 Na1 149.65(10) 2_666 .
C5 N1 N3 121.2(10) . .
C5 N1 Dy3 118.8(8) . .
N3 N1 Dy3 119.7(7) . .
C21 N2 N7 110.8(10) . .
C21 N2 Dy4 132.1(9) . .
N7 N2 Dy4 116.3(7) . .
N1 N3 C10 119.4(10) . .
N1 N3 Dy2 118.4(7) . 2_666
C10 N3 Dy2 120.3(8) . 2_666
C4 N4 N9 110.8(11) . .
C4 N4 Dy5 130.7(10) . .
N9 N4 Dy5 118.1(7) . .
C6 N5 N14 110.1(11) . .
C22 N6 N11 112.6(11) . .
C22 N6 Dy2 129.6(9) . .
N11 N6 Dy2 117.8(7) . .
C1 N7 N2 111.4(10) . .
N10 N8 C8 119.7(10) . .
N10 N8 Dy3 117.4(7) . 2_666
C8 N8 Dy3 122.2(7) . 2_666
C9 N9 N4 108.8(11) . .
N8 N10 C2 121.3(10) . .
N8 N10 Dy4 119.2(7) . 2_666
C2 N10 Dy4 118.9(8) . 2_666
C11 N11 N6 108.0(10) . .
C7 N12 C55 117.7(13) . .
C7 N12 C47 124.3(13) . .
C55 N12 C47 117.6(12) . .
O32 N13 O25 122.0(16) . .
O32 N13 O23 120.1(16) . .
O25 N13 O23 117.9(13) . .
O32 N13 Dy1 178.3(12) . .
O25 N13 Dy1 58.3(8) . .
O23 N13 Dy1 59.6(7) . .
C28 N14 N5 112.7(11) . .
C28 N14 Dy1 130.5(9) . .
N5 N14 Dy1 116.7(7) . .
C27 N15 C54 118.7(12) . .
C27 N15 C51 120.8(13) . .
C54 N15 C51 120.3(12) . .
C24 N16 C58 121.2(15) . .
C24 N16 C49 120.4(13) . .
C58 N16 C49 118.3(14) . .
O7 N17 O15 122.5(12) . .
O7 N17 O3 120.7(11) . .
O15 N17 O3 116.8(10) . .
O7 N17 Dy2 162.8(9) . 2_666
O15 N17 Dy2 57.5(6) . 2_666
O3 N17 Dy2 61.9(6) . 2_666
O7 N17 Na1 51.8(6) . .
O15 N17 Na1 71.0(7) . .
O3 N17 Na1 171.3(9) . .
Dy2 N17 Na1 126.7(5) 2_666 .
O26 N18 O33 117(2) . .
O26 N18 O29 123.9(18) . .
O33 N18 O29 118.5(18) . .
C42 N19 C44 124.3(14) . .
C42 N19 C56 119.2(15) . .
C44 N19 C56 116.5(13) . .
O30 N20 O28 122.0(17) . .
O30 N20 O27 120.8(17) . .
O28 N20 O27 117.1(16) . .
C43 N21 C59 121.2(19) . .
C43 N21 C57 122.1(17) . .
C59 N21 C57 116.2(16) . .
O37 N22 O38 115(2) . .
O37 N22 O39 133(2) . .
O38 N22 O39 110(2) . .
O34 N23 O35 121(3) . .
O34 N23 O36 129(3) . .
O35 N23 O36 110(3) . .
C64 N24 C65 129(2) . .
C64 N24 C66 118(2) . .
C65 N24 C66 112.8(18) . .
C67 N25 C68 122(3) . .
C67 N25 C69 124(3) . .
C68 N25 C69 114(3) . .
O41 Na1 O7 114.2(7) . .
O41 Na1 O24 109.6(7) . .
O7 Na1 O24 120.6(4) . .
O41 Na1 O26 112.4(7) . .
O7 Na1 O26 114.7(5) . .
O24 Na1 O26 81.2(4) . .
O41 Na1 O17 107.3(7) . .
O7 Na1 O17 67.7(3) . .
O24 Na1 O17 62.3(3) . .
O26 Na1 O17 133.1(5) . .
O41 Na1 O15 118.5(7) . .
O7 Na1 O15 51.0(3) . .
O24 Na1 O15 129.4(5) . .
O26 Na1 O15 67.5(4) . .
O17 Na1 O15 113.4(3) . .
O41 Na1 N17 121.0(7) . .
O7 Na1 N17 25.0(3) . .
O24 Na1 N17 127.7(5) . .
O26 Na1 N17 91.0(4) . .
O17 Na1 N17 89.4(4) . .
O15 Na1 N17 26.1(3) . .
O41 Na1 C67 20.5(7) . .
O7 Na1 C67 104.5(6) . .
O24 Na1 C67 128.0(7) . .
O26 Na1 C67 103.6(6) . .
O17 Na1 C67 121.7(6) . .
O15 Na1 C67 98.2(6) . .
N17 Na1 C67 104.1(6) . .
O41 Na1 Dy5 110.7(6) . .
O7 Na1 Dy5 33.7(2) . .
O24 Na1 Dy5 94.1(3) . .
O26 Na1 Dy5 135.6(4) . .
O17 Na1 Dy5 34.53(19) . .
O15 Na1 Dy5 83.3(2) . .
N17 Na1 Dy5 57.4(3) . .
C67 Na1 Dy5 113.3(5) . .
C11 O1 Dy2 121.1(7) . .
C11 O1 Dy3 125.8(7) . 2_666
Dy2 O1 Dy3 112.3(3) . 2_666
C1 O2 Dy4 122.6(8) . .
C1 O2 Dy3 124.8(8) . .
Dy4 O2 Dy3 111.5(3) . .
N17 O3 Dy3 135.3(7) . .
N17 O3 Dy2 90.0(7) . 2_666
Dy3 O3 Dy2 111.0(3) . 2_666
Dy3 O4 Dy4 102.1(3) . 2_666
Dy3 O4 Dy5 123.5(4) . .
Dy4 O4 Dy5 95.8(3) 2_666 .
C7 O5 Dy2 138.6(9) . .
C9 O6 Dy5 125.3(7) . .
C9 O6 Dy4 129.1(7) . 2_666
Dy5 O6 Dy4 105.0(3) . 2_666
N17 O7 Dy5 137.7(9) . .
N17 O7 Na1 103.2(8) . .
Dy5 O7 Na1 112.6(4) . .
C18 O8 Dy4 140.3(8) . .
C18 O8 Dy5 120.1(7) . 2_666
Dy4 O8 Dy5 97.4(3) . 2_666
C64 O9 Dy5 145.5(13) . .
C27 O10 Dy3 126.2(9) . .
C20 O11 C41 116.8(10) . .
C20 O11 Dy5 119.6(7) . 2_666
C41 O11 Dy5 120.9(8) . 2_666
C42 O12 Dy2 121.4(9) . .
Dy3 O13 Dy4 101.9(3) 2_666 .
Dy3 O13 Dy4 105.8(3) 2_666 2_666
Dy4 O13 Dy4 111.3(3) . 2_666
C6 O14 Dy1 120.4(8) . .
C6 O14 Dy2 128.9(7) . 2_666
Dy1 O14 Dy2 110.4(3) . 2_666
N17 O15 Dy2 95.8(7) . 2_666
N17 O15 Na1 82.9(7) . .
Dy2 O15 Na1 165.6(4) 2_666 .
C12 O16 Dy2 128.9(8) . .
C12 O16 Dy1 120.9(8) . 2_666
Dy2 O16 Dy1 107.3(3) . 2_666
C26 O17 Dy5 141.7(10) . .
C26 O17 Na1 111.9(9) . .
Dy5 O17 Na1 105.4(4) . .
C17 O18 C52 117.6(11) . .
C17 O18 Dy1 119.3(8) . 2_666
C52 O18 Dy1 120.3(8) . 2_666
C19 O19 C35 115.8(12) . .
C43 O20 Dy5 136.3(11) . .
C23 O21 Dy1 144.1(9) . .
C24 O22 Dy4 136.9(9) . .
N13 O23 Dy1 94.2(9) . .
C30 O24 C48 115.9(12) . .
C30 O24 Na1 115.3(9) . .
C48 O24 Na1 123.9(10) . .
N13 O25 Dy1 96.1(9) . .
N18 O26 Na1 106.5(11) . .
N18 O29 Dy1 114.2(12) . .
C61 O40 C63 114(2) . .
C67 O41 Na1 120(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N7 1.292(17) .
C1 O2 1.302(16) .
C1 C5 1.48(2) .
C2 N10 1.322(16) .
C2 C13 1.406(18) .
C2 C9 1.454(17) .
C3 C18 1.420(19) .
C3 C29 1.425(18) .
C3 C21 1.474(17) .
C4 N4 1.321(18) .
C4 C31 1.44(2) .
C5 N1 1.301(17) .
C5 C25 1.44(2) .
C6 N5 1.285(17) .
C6 O14 1.293(15) .
C6 C10 1.480(19) .
C7 O5 1.220(16) .
C7 N12 1.308(17) .
C8 N8 1.354(16) .
C8 C14 1.369(18) .
C8 C11 1.499(17) .
C9 O6 1.306(16) .
C9 N9 1.312(16) .
C10 N3 1.373(16) .
C10 C36 1.396(19) .
C11 O1 1.275(15) .
C11 N11 1.290(16) .
C12 O16 1.322(16) .
C12 C15 1.42(2) .
C12 C17 1.419(19) .
C13 C14 1.380(17) .
C15 C37 1.41(2) .
C15 C22 1.445(19) .
C16 C23 1.40(2) .
C16 C33 1.41(2) .
C16 C28 1.449(19) .
C17 O18 1.364(17) .
C17 C34 1.37(2) .
C18 O8 1.316(15) .
C18 C20 1.426(18) .
C19 O19 1.336(18) .
C19 C32 1.38(2) .
C19 C23 1.425(19) .
C20 C40 1.342(19) .
C20 O11 1.364(16) .
C21 N2 1.268(16) .
C22 N6 1.312(17) .
C23 O21 1.291(17) .
C24 O22 1.225(16) .
C24 N16 1.313(19) .
C25 C36 1.361(19) .
C26 O17 1.307(18) .
C26 C30 1.41(2) .
C26 C31 1.42(2) .
C27 O10 1.238(16) .
C27 N15 1.301(18) .
C28 N14 1.309(17) .
C29 C39 1.345(18) .
C30 C50 1.36(2) .
C30 O24 1.37(2) .
C31 C46 1.41(2) .
C32 C38 1.43(2) .
C33 C38 1.361(19) .
C34 C45 1.39(2) .
C35 O19 1.430(17) .
C37 C45 1.381(19) .
C39 C40 1.447(19) .
C41 O11 1.420(14) .
C42 O12 1.276(17) .
C42 N19 1.296(19) .
C43 O20 1.214(19) .
C43 N21 1.28(2) .
C44 N19 1.40(2) .
C46 C53 1.39(2) .
C47 N12 1.445(19) .
C48 O24 1.452(18) .
C49 N16 1.44(2) .
C50 C53 1.37(2) .
C51 N15 1.485(19) .
C52 O18 1.487(17) .
C54 N15 1.46(2) .
C55 N12 1.409(19) .
C56 N19 1.43(2) .
C57 N21 1.48(3) .
C58 N16 1.42(2) .
C59 N21 1.47(3) .
C60 C63 1.431(18) .
C61 O40 1.42(3) .
C61 C62 1.445(18) .
C63 O40 1.60(3) .
C64 O9 1.20(2) .
C64 N24 1.32(3) .
C65 N24 1.40(2) .
C66 N24 1.52(3) .
C67 O41 1.233(18) .
C67 N25 1.376(18) .
C67 Na1 3.04(3) .
C68 N25 1.458(18) .
C69 N25 1.464(19) .
Dy1 O21 2.146(8) .
Dy1 O14 2.286(8) .
Dy1 O16 2.374(8) 2_666
Dy1 O29 2.387(14) .
Dy1 O25 2.466(12) .
Dy1 N14 2.475(12) .
Dy1 O18 2.478(9) 2_666
Dy1 O23 2.491(11) .
Dy1 N13 2.881(14) .
Dy1 Dy2 3.8134(9) 2_666
Dy2 O1 2.320(7) .
Dy2 O14 2.357(8) 2_666
Dy2 O16 2.362(8) .
Dy2 O15 2.379(8) 2_666
Dy2 O12 2.389(9) .
Dy2 O5 2.399(9) .
Dy2 O3 2.476(8) 2_666
Dy2 N6 2.505(11) .
Dy2 N3 2.559(9) 2_666
Dy2 N17 2.806(12) 2_666
Dy2 Dy1 3.8134(8) 2_666
Dy2 Dy3 3.9432(8) 2_666
Dy3 O4 2.262(8) .
Dy3 O3 2.308(8) .
Dy3 O2 2.338(8) .
Dy3 O13 2.343(8) 2_666
Dy3 O10 2.356(8) .
Dy3 O1 2.427(8) 2_666
Dy3 N8 2.530(9) 2_666
Dy3 N1 2.559(9) .
Dy3 Dy4 3.6604(8) 2_666
Dy3 Dy4 3.8568(8) .
Dy3 Dy2 3.9432(8) 2_666
Dy4 O2 2.329(8) .
Dy4 O6 2.356(7) 2_666
Dy4 O13 2.371(8) .
Dy4 O8 2.395(8) .
Dy4 O22 2.423(9) .
Dy4 O4 2.441(8) 2_666
Dy4 O13 2.492(8) 2_666
Dy4 N2 2.563(10) .
Dy4 N10 2.630(11) 2_666
Dy4 Dy3 3.6604(8) 2_666
Dy4 Dy5 3.6802(8) 2_666
Dy5 O17 2.260(8) .
Dy5 O6 2.283(8) .
Dy5 O7 2.309(8) .
Dy5 O20 2.403(10) .
Dy5 O9 2.413(12) .
Dy5 O8 2.501(8) 2_666
Dy5 O4 2.520(8) .
Dy5 N4 2.583(11) .
Dy5 O11 2.595(9) 2_666
Dy5 Dy4 3.6801(8) 2_666
Dy5 Na1 3.844(6) .
N1 N3 1.350(13) .
N2 N7 1.422(13) .
N3 Dy2 2.559(9) 2_666
N4 N9 1.409(15) .
N5 N14 1.419(14) .
N6 N11 1.431(14) .
N8 N10 1.319(13) .
N8 Dy3 2.530(9) 2_666
N10 Dy4 2.630(11) 2_666
N13 O32 1.217(17) .
N13 O25 1.249(18) .
N13 O23 1.275(18) .
N17 O7 1.242(14) .
N17 O15 1.268(15) .
N17 O3 1.323(14) .
N17 Dy2 2.806(12) 2_666
N17 Na1 2.861(14) .
N18 O26 1.227(18) .
N18 O33 1.23(2) .
N18 O29 1.24(2) .
N20 O30 1.226(18) .
N20 O28 1.244(19) .
N20 O27 1.249(18) .
N22 O37 1.264(17) .
N22 O38 1.293(17) .
N22 O39 1.350(16) .
N23 O34 1.14(3) .
N23 O35 1.20(3) .
N23 O36 1.25(3) .
Na1 O41 2.23(3) .
Na1 O7 2.311(10) .
Na1 O24 2.466(12) .
Na1 O26 2.565(16) .
Na1 O17 2.567(12) .
Na1 O15 2.726(11) .
O1 Dy3 2.427(7) 2_666
O3 Dy2 2.476(8) 2_666
O4 Dy4 2.441(8) 2_666
O6 Dy4 2.356(7) 2_666
O8 Dy5 2.501(8) 2_666
O11 Dy5 2.595(8) 2_666
O13 Dy3 2.343(8) 2_666
O13 Dy4 2.492(8) 2_666
O14 Dy2 2.357(8) 2_666
O15 Dy2 2.379(8) 2_666
O16 Dy1 2.374(8) 2_666
O18 Dy1 2.478(9) 2_666
