#------------------------------------------------------------------------------
#$Date: 2019-11-17 14:10:45 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/74/7057495.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_7057495
loop_
_publ_author_name
'Fang, Ming'
'Shao, Li-Jun'
'Shi, Tian-Xing'
'Chen, Ying-Ying'
'Yu, Hong'
'Li, Peng-Fei'
'Wang, Wen-Min'
'Zhao, Bin'
_publ_section_title
;
 Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin
 derivatives: magnetic refrigeration and single-molecule magnet behaviour
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11847
_journal_paper_doi               10.1039/C8NJ02161A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C134 H138 Dy4 N18 O16'
_chemical_formula_weight         2906.62
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-03-17 deposited with the CCDC.
2018-06-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.8280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.9972(7)
_cell_length_b                   17.3458(6)
_cell_length_c                   22.3245(8)
_cell_measurement_reflns_used    9371
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.664
_cell_measurement_theta_min      2.397
_cell_volume                     6676.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            125364
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    2.280
_exptl_absorpt_correction_T_max  0.7876
_exptl_absorpt_correction_T_min  0.5995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2920
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         1.579
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     809
_refine_ls_number_reflns         11783
_refine_ls_number_restraints     121
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0347P)²+22.2605P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0785
_reflns_number_gt                10382
_reflns_number_total             11783
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8nj02161a2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7057494--7057497.cif.'
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7057495
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.648217(11) 0.547426(11) 0.632261(9) 0.01666(6) Uani 1 1 d . . .
Dy2 Dy 0.444912(11) 0.593961(11) 0.494887(9) 0.01718(6) Uani 1 1 d . . .
O5 O 0.73038(17) 0.61046(17) 0.59487(14) 0.0260(7) Uani 1 1 d . . .
O2 O 0.43181(15) 0.45613(16) 0.48064(13) 0.0173(6) Uani 1 1 d . . .
O1 O 0.31675(16) 0.55833(17) 0.41683(13) 0.0213(6) Uani 1 1 d . . .
O6 O 0.38205(18) 0.70014(17) 0.50850(15) 0.0290(7) Uani 1 1 d . . .
O3 O 0.56099(17) 0.44237(16) 0.61132(13) 0.0217(6) Uani 1 1 d . . .
O7 O 0.51251(18) 0.70216(17) 0.48392(14) 0.0282(7) Uani 1 1 d . . .
N7 N 0.3871(2) 0.5485(2) 0.57252(17) 0.0237(8) Uani 1 1 d . . .
O4 O 0.70251(17) 0.64696(17) 0.70541(14) 0.0254(7) Uani 1 1 d . . .
N4 N 0.6317(2) 0.5014(2) 0.73329(16) 0.0229(8) Uani 1 1 d . . .
C20 C 0.5715(2) 0.4516(2) 0.7206(2) 0.0212(9) Uani 1 1 d . . .
C37 C 0.5288(3) 0.6527(3) 0.7116(2) 0.0351(11) Uani 1 1 d . . .
H37 H 0.5729 0.6826 0.7216 0.042 Uiso 1 1 calc R . .
N1 N 0.2147(2) 0.5070(2) 0.29792(17) 0.0239(8) Uani 1 1 d . . .
N8 N 0.4008(3) 0.5857(4) 0.7921(2) 0.0638(16) Uani 1 1 d . . .
N5 N 0.4637(3) 0.3570(3) 0.8054(2) 0.0465(12) Uani 1 1 d . . .
C18 C 0.5907(3) 0.4565(3) 0.8343(2) 0.0385(12) Uani 1 1 d . . .
H18 H 0.5777 0.4415 0.8684 0.046 Uiso 1 1 calc R . .
C48 C 0.7838(4) 0.8257(3) 0.7590(3) 0.0512(15) Uani 1 1 d . . .
H48A H 0.8191 0.8321 0.7388 0.077 Uiso 1 1 calc R . .
H48B H 0.7991 0.8586 0.7969 0.077 Uiso 1 1 calc R . .
H48C H 0.7323 0.8391 0.7279 0.077 Uiso 1 1 calc R . .
O8 O 0.52764(16) 0.61279(17) 0.60861(13) 0.0218(6) Uani 1 1 d . . .
C57 C 0.3244(4) 0.7614(4) 0.5950(3) 0.066(2) Uani 1 1 d . . .
H57A H 0.3019 0.7146 0.5720 0.099 Uiso 1 1 calc R . .
H57B H 0.2874 0.7876 0.6066 0.099 Uiso 1 1 calc R . .
H57C H 0.3698 0.7495 0.6343 0.099 Uiso 1 1 calc R . .
C49 C 0.7849(4) 0.7434(3) 0.7797(3) 0.0443(12) Uani 1 1 d U . .
N2 N 0.0057(2) 0.6436(3) 0.3239(2) 0.0437(11) Uani 1 1 d . . .
C21 C 0.5334(2) 0.4225(2) 0.65468(19) 0.0194(9) Uani 1 1 d . . .
C19 C 0.5475(3) 0.4287(3) 0.7701(2) 0.0296(10) Uani 1 1 d . . .
C63 C 0.5184(3) 0.7712(3) 0.5050(2) 0.0359(12) Uani 1 1 d . . .
C8 C 0.1386(3) 0.6455(3) 0.4110(2) 0.0352(11) Uani 1 1 d . . .
H8 H 0.1231 0.6757 0.4377 0.042 Uiso 1 1 calc R . .
C6 C 0.2435(2) 0.5789(2) 0.3970(2) 0.0213(9) Uani 1 1 d . . .
C35 C 0.4233(3) 0.5779(3) 0.6353(2) 0.0255(10) Uani 1 1 d . . .
C16 C 0.6692(3) 0.5272(3) 0.7944(2) 0.0319(11) Uani 1 1 d . . .
H16 H 0.7098 0.5617 0.8030 0.038 Uiso 1 1 calc R . .
C52 C 0.7898(3) 0.6528(3) 0.6247(2) 0.0322(11) Uani 1 1 d . . .
C4 C 0.1091(3) 0.5771(3) 0.3088(2) 0.0289(10) Uani 1 1 d . . .
C50 C 0.7613(3) 0.6900(3) 0.7190(2) 0.0288(10) Uani 1 1 d . . .
C17 C 0.6513(3) 0.5054(3) 0.8468(2) 0.0405(13) Uani 1 1 d . . .
H17 H 0.6802 0.5239 0.8893 0.049 Uiso 1 1 calc R . .
C3 C 0.0590(3) 0.5524(3) 0.2449(2) 0.0378(12) Uani 1 1 d . . .
H3 H 0.0071 0.5669 0.2266 0.045 Uiso 1 1 calc R . .
C1 C 0.1642(3) 0.4853(3) 0.2383(2) 0.0312(11) Uani 1 1 d . . .
H1 H 0.1818 0.4536 0.2138 0.037 Uiso 1 1 calc R . .
C2 C 0.0869(3) 0.5073(3) 0.2102(3) 0.0420(13) Uani 1 1 d . . .
H2 H 0.0544 0.4911 0.1678 0.050 Uiso 1 1 calc R . .
C24 C 0.4834(3) 0.3779(3) 0.7532(2) 0.0335(11) Uani 1 1 d . . .
C64 C 0.5862(3) 0.8201(3) 0.5054(3) 0.0455(14) Uani 1 1 d . . .
C7 C 0.2163(3) 0.6237(3) 0.4340(2) 0.0319(11) Uani 1 1 d . . .
H7 H 0.2511 0.6399 0.4757 0.038 Uiso 1 1 calc R . .
C31 C 0.3217(3) 0.5103(3) 0.5569(2) 0.0309(11) Uani 1 1 d . . .
H31 H 0.2972 0.4897 0.5147 0.037 Uiso 1 1 calc R . .
C39 C 0.4318(3) 0.6023(4) 0.7461(2) 0.0434(14) Uani 1 1 d . . .
C32 C 0.2870(3) 0.4992(4) 0.6007(3) 0.0424(13) Uani 1 1 d . . .
H32 H 0.2407 0.4720 0.5873 0.051 Uiso 1 1 calc R . .
C5 C 0.1877(2) 0.5537(3) 0.3333(2) 0.0234(9) Uani 1 1 d . . .
C22 C 0.4704(3) 0.3749(3) 0.6407(2) 0.0259(10) Uani 1 1 d . . .
H22 H 0.4434 0.3567 0.5979 0.031 Uiso 1 1 calc R . .
C53 C 0.8491(3) 0.6601(3) 0.5942(3) 0.0492(15) Uani 1 1 d . . .
C9 C 0.0844(3) 0.6232(3) 0.3495(2) 0.0332(11) Uani 1 1 d . . .
C67 C 0.6292(4) 0.7786(4) 0.4694(4) 0.076(2) Uani 1 1 d . . .
H67A H 0.6485 0.7299 0.4904 0.114 Uiso 1 1 calc R . .
H67B H 0.6717 0.8099 0.4712 0.114 Uiso 1 1 calc R . .
H67C H 0.5940 0.7701 0.4241 0.114 Uiso 1 1 calc R . .
C60 C 0.3470(3) 0.8136(3) 0.5502(3) 0.0472(14) Uani 1 1 d . . .
C51 C 0.8062(3) 0.6914(3) 0.6835(2) 0.0360(12) Uani 1 1 d . . .
H51 H 0.8513 0.7208 0.7007 0.043 Uiso 1 1 calc R . .
C38 C 0.4972(3) 0.6452(3) 0.7581(2) 0.0438(14) Uani 1 1 d . . .
H38 H 0.5215 0.6702 0.7985 0.053 Uiso 1 1 calc R . .
C61 C 0.4026(3) 0.7687(3) 0.5283(2) 0.0354(12) Uani 1 1 d . . .
C23 C 0.4459(3) 0.3532(3) 0.6893(2) 0.0323(11) Uani 1 1 d . . .
H23 H 0.4029 0.3211 0.6779 0.039 Uiso 1 1 calc R . .
C34 C 0.3916(3) 0.5697(3) 0.6822(2) 0.0345(11) Uani 1 1 d . . .
C10 C -0.0250(3) 0.6617(5) 0.3605(3) 0.0627(19) Uani 1 1 d . . .
H10 H 0.0055 0.6598 0.4057 0.075 Uiso 1 1 calc R . .
C11 C -0.1058(3) 0.6860(4) 0.3386(3) 0.0529(16) Uani 1 1 d . . .
C58 C 0.2751(4) 0.8333(4) 0.4882(3) 0.0606(18) Uani 1 1 d . . .
H58A H 0.2524 0.7868 0.4648 0.091 Uiso 1 1 calc R . .
H58B H 0.2892 0.8663 0.4605 0.091 Uiso 1 1 calc R . .
H58C H 0.2383 0.8593 0.5002 0.091 Uiso 1 1 calc R . .
C62 C 0.4676(3) 0.8038(3) 0.5285(3) 0.0434(13) Uani 1 1 d . . .
H62 H 0.4787 0.8534 0.5457 0.052 Uiso 1 1 calc R . .
C25 C 0.4310(3) 0.2945(4) 0.8053(3) 0.0532(16) Uani 1 1 d . . .
H25 H 0.4181 0.2610 0.7698 0.064 Uiso 1 1 calc R . .
C33 C 0.3214(3) 0.5284(4) 0.6625(3) 0.0452(14) Uani 1 1 d . . .
H33 H 0.2989 0.5213 0.6919 0.054 Uiso 1 1 calc R . .
C54 C 0.9295(4) 0.6308(5) 0.6461(4) 0.081(2) Uani 1 1 d . . .
H54A H 0.9446 0.6603 0.6860 0.121 Uiso 1 1 calc R . .
H54B H 0.9676 0.6368 0.6288 0.121 Uiso 1 1 calc R . .
H54C H 0.9255 0.5774 0.6555 0.121 Uiso 1 1 calc R . .
C36 C 0.4949(3) 0.6161(3) 0.6512(2) 0.0249(10) Uani 1 1 d . . .
C41 C 0.4061(5) 0.5721(4) 0.8997(3) 0.086(2) Uani 1 1 d GU . .
C42A C 0.3275(4) 0.5759(6) 0.8851(3) 0.085(5) Uani 0.522(8) 1 d PG A 1
H42A H 0.2921 0.5907 0.8432 0.102 Uiso 0.522(8) 1 calc PR A 1
C43A C 0.3017(4) 0.5575(8) 0.9332(4) 0.110(8) Uani 0.522(8) 1 d PG A 1
H43A H 0.2491 0.5600 0.9234 0.133 Uiso 0.522(8) 1 calc PR A 1
N9A N 0.3546(6) 0.5353(7) 0.9958(4) 0.074(4) Uani 0.522(8) 1 d PGU A 1
C44A C 0.4332(5) 0.5316(7) 1.0104(3) 0.086(5) Uani 0.522(8) 1 d PG A 1
H44A H 0.4686 0.5168 1.0523 0.103 Uiso 0.522(8) 1 calc PR A 1
C45A C 0.4590(4) 0.5500(6) 0.9624(3) 0.082(5) Uani 0.522(8) 1 d PG A 1
H45A H 0.5116 0.5475 0.9721 0.098 Uiso 0.522(8) 1 calc PR A 1
C42B C 0.3889(11) 0.6156(11) 0.9436(8) 0.086(5) Uani 0.478(8) 1 d PU A 2
H42B H 0.3996 0.6681 0.9460 0.103 Uiso 0.478(8) 1 calc PR A 2
C43B C 0.3565(11) 0.5861(11) 0.9845(9) 0.079(5) Uani 0.478(8) 1 d PU A 2
H43B H 0.3577 0.6155 1.0198 0.095 Uiso 0.478(8) 1 calc PR A 2
N9B N 0.3233(11) 0.5153(10) 0.9736(9) 0.086(5) Uani 0.478(8) 1 d PU A 2
C44B C 0.3243(11) 0.4733(12) 0.9263(9) 0.085(5) Uani 0.478(8) 1 d PU A 2
H44B H 0.3067 0.4227 0.9210 0.102 Uiso 0.478(8) 1 calc PR A 2
C45B C 0.3529(9) 0.5061(12) 0.8820(8) 0.078(5) Uani 0.478(8) 1 d PU A 2
H45B H 0.3371 0.4847 0.8402 0.093 Uiso 0.478(8) 1 calc PR A 2
C40 C 0.4333(6) 0.5948(5) 0.8496(3) 0.095(3) Uani 1 1 d . A .
H40 H 0.4815 0.6189 0.8650 0.114 Uiso 1 1 calc R . .
C55 C 0.8609(4) 0.7436(4) 0.5816(4) 0.071(2) Uani 1 1 d . . .
H55A H 0.8123 0.7657 0.5522 0.107 Uiso 1 1 calc R . .
H55B H 0.8972 0.7470 0.5621 0.107 Uiso 1 1 calc R . .
H55C H 0.8808 0.7714 0.6227 0.107 Uiso 1 1 calc R . .
C65 C 0.6446(4) 0.8299(5) 0.5767(3) 0.077(2) Uani 1 1 d . . .
H65A H 0.6193 0.8514 0.6020 0.116 Uiso 1 1 calc R . .
H65B H 0.6853 0.8639 0.5784 0.116 Uiso 1 1 calc R . .
H65C H 0.6663 0.7806 0.5946 0.116 Uiso 1 1 calc R . .
C46 C 0.7266(5) 0.7383(5) 0.8109(4) 0.079(2) Uani 1 1 d U . .
H46A H 0.7463 0.7664 0.8518 0.118 Uiso 1 1 calc R . .
H46B H 0.7191 0.6853 0.8192 0.118 Uiso 1 1 calc R . .
H46C H 0.6779 0.7602 0.7813 0.118 Uiso 1 1 calc R . .
C66 C 0.5586(5) 0.8975(4) 0.4736(5) 0.107(4) Uani 1 1 d . . .
H66A H 0.5208 0.8903 0.4290 0.160 Uiso 1 1 calc R . .
H66B H 0.6018 0.9261 0.4734 0.160 Uiso 1 1 calc R . .
H66C H 0.5357 0.9255 0.4980 0.160 Uiso 1 1 calc R . .
C56 C 0.8278(5) 0.6128(6) 0.5353(5) 0.112(4) Uani 1 1 d . . .
H56A H 0.8252 0.5597 0.5464 0.168 Uiso 1 1 calc R . .
H56B H 0.8660 0.6187 0.5180 0.168 Uiso 1 1 calc R . .
H56C H 0.7781 0.6289 0.5027 0.168 Uiso 1 1 calc R . .
C59 C 0.3825(5) 0.8879(4) 0.5876(5) 0.093(3) Uani 1 1 d . . .
H59A H 0.3471 0.9112 0.6028 0.139 Uiso 1 1 calc R . .
H59B H 0.3923 0.9230 0.5587 0.139 Uiso 1 1 calc R . .
H59C H 0.4303 0.8762 0.6247 0.139 Uiso 1 1 calc R . .
C47 C 0.8633(5) 0.7210(5) 0.8315(4) 0.084(2) Uani 1 1 d U . .
H47A H 0.9016 0.7284 0.8146 0.126 Uiso 1 1 calc R . .
H47B H 0.8625 0.6678 0.8431 0.126 Uiso 1 1 calc R . .
H47C H 0.8757 0.7526 0.8699 0.126 Uiso 1 1 calc R . .
C13 C -0.2158(5) 0.7220(6) 0.3584(5) 0.100(3) Uani 1 1 d U . .
H13 H -0.2360 0.7300 0.3893 0.120 Uiso 1 1 calc R . .
C12 C -0.1399(5) 0.6966(7) 0.3803(5) 0.104(3) Uani 1 1 d U . .
H12 H -0.1115 0.6867 0.4250 0.124 Uiso 1 1 calc R . .
N3 N -0.2575(5) 0.7343(7) 0.3001(5) 0.142(4) Uani 1 1 d U . .
C15 C -0.1468(5) 0.7048(7) 0.2756(5) 0.118(3) Uani 1 1 d U . .
H15 H -0.1267 0.6974 0.2446 0.142 Uiso 1 1 calc R . .
C14 C -0.2203(7) 0.7357(9) 0.2575(7) 0.151(5) Uani 1 1 d U . .
H14 H -0.2455 0.7580 0.2160 0.182 Uiso 1 1 calc R . .
C26 C 0.4127(3) 0.2735(3) 0.8616(2) 0.069(2) Uani 1 1 d GU . .
C27 C 0.4274(4) 0.3253(3) 0.9129(3) 0.127(4) Uani 1 1 d GU . .
H27 H 0.4458 0.3745 0.9107 0.153 Uiso 1 1 calc R . .
C28 C 0.4146(4) 0.3038(4) 0.9675(3) 0.157(5) Uani 1 1 d GU . .
H28 H 0.4245 0.3385 1.0019 0.189 Uiso 1 1 calc R . .
N6 N 0.3871(4) 0.2304(5) 0.9707(3) 0.144(4) Uani 1 1 d GU . .
C29 C 0.3724(4) 0.1785(3) 0.9194(4) 0.138(4) Uani 1 1 d GU . .
H29 H 0.3540 0.1294 0.9215 0.166 Uiso 1 1 calc R . .
C30 C 0.3851(3) 0.2001(3) 0.8648(3) 0.103(3) Uani 1 1 d GU . .
H30 H 0.3753 0.1654 0.8304 0.124 Uiso 1 1 calc R . .
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
O4 Dy1 O5 74.57(10) . .
O4 Dy1 O2 132.88(10) . 3_666
O5 Dy1 O2 81.72(10) . 3_666
O4 Dy1 O1 141.19(10) . 3_666
O5 Dy1 O1 80.62(10) . 3_666
O2 Dy1 O1 70.27(9) 3_666 3_666
O4 Dy1 O3 141.57(10) . .
O5 Dy1 O3 143.85(10) . .
O2 Dy1 O3 71.51(9) 3_666 .
O1 Dy1 O3 67.87(10) 3_666 .
O4 Dy1 O8 84.49(10) . .
O5 Dy1 O8 114.80(10) . .
O2 Dy1 O8 69.35(9) 3_666 .
O1 Dy1 O8 133.54(9) 3_666 .
O3 Dy1 O8 78.29(10) . .
O4 Dy1 N4 77.92(11) . .
O5 Dy1 N4 145.03(11) . .
O2 Dy1 N4 133.23(10) 3_666 .
O1 Dy1 N4 109.37(11) 3_666 .
O3 Dy1 N4 66.19(10) . .
O8 Dy1 N4 83.18(11) . .
O4 Dy1 N1 78.94(11) . 3_666
O5 Dy1 N1 74.37(11) . 3_666
O2 Dy1 N1 132.48(10) 3_666 3_666
O1 Dy1 N1 65.76(10) 3_666 3_666
O3 Dy1 N1 106.35(11) . 3_666
O8 Dy1 N1 158.17(10) . 3_666
N4 Dy1 N1 79.54(11) . 3_666
O4 Dy1 Dy2 174.28(7) . 3_666
O5 Dy1 Dy2 102.62(7) . 3_666
O2 Dy1 Dy2 41.39(7) 3_666 3_666
O1 Dy1 Dy2 41.37(7) 3_666 3_666
O3 Dy1 Dy2 41.51(7) . 3_666
O8 Dy1 Dy2 92.32(7) . 3_666
N4 Dy1 Dy2 106.47(8) . 3_666
N1 Dy1 Dy2 105.28(8) 3_666 3_666
O4 Dy1 Dy2 113.95(8) . .
O5 Dy1 Dy2 102.34(7) . .
O2 Dy1 Dy2 33.96(7) 3_666 .
O1 Dy1 Dy2 100.09(7) 3_666 .
O3 Dy1 Dy2 67.84(7) . .
O8 Dy1 Dy2 35.73(6) . .
N4 Dy1 Dy2 108.37(8) . .
N1 Dy1 Dy2 165.72(8) 3_666 .
Dy2 Dy1 Dy2 61.444(6) 3_666 .
O6 Dy2 O2 142.87(10) . 3_666
O6 Dy2 O7 73.04(11) . .
O2 Dy2 O7 77.46(10) 3_666 .
O6 Dy2 O8 84.00(10) . .
O2 Dy2 O8 69.75(9) 3_666 .
O7 Dy2 O8 81.74(10) . .
O6 Dy2 O1 82.92(10) . .
O2 Dy2 O1 133.16(9) 3_666 .
O7 Dy2 O1 124.22(10) . .
O8 Dy2 O1 145.27(10) . .
O6 Dy2 O3 122.06(10) . 3_666
O2 Dy2 O3 76.16(9) 3_666 3_666
O7 Dy2 O3 84.71(10) . 3_666
O8 Dy2 O3 145.28(10) . 3_666
O1 Dy2 O3 66.75(9) . 3_666
O6 Dy2 O2 141.86(10) . .
O2 Dy2 O2 72.55(11) 3_666 .
O7 Dy2 O2 144.18(10) . .
O8 Dy2 O2 105.19(9) . .
O1 Dy2 O2 68.44(9) . .
O3 Dy2 O2 69.60(9) 3_666 .
O6 Dy2 N7 76.08(11) . .
O2 Dy2 N7 113.79(10) 3_666 .
O7 Dy2 N7 137.22(11) . .
O8 Dy2 N7 66.13(11) . .
O1 Dy2 N7 79.52(11) . .
O3 Dy2 N7 137.43(11) 3_666 .
O2 Dy2 N7 74.40(10) . .
O6 Dy2 Dy1 122.85(8) . 3_666
O2 Dy2 Dy1 92.49(7) 3_666 3_666
O7 Dy2 Dy1 124.88(7) . 3_666
O8 Dy2 Dy1 144.99(7) . 3_666
O1 Dy2 Dy1 40.67(7) . 3_666
O3 Dy2 Dy1 40.75(7) 3_666 3_666
O2 Dy2 Dy1 39.81(6) . 3_666
N7 Dy2 Dy1 96.68(8) . 3_666
O6 Dy2 Dy2 169.13(8) . 3_666
O2 Dy2 Dy2 36.92(7) 3_666 3_666
O7 Dy2 Dy2 112.22(8) . 3_666
O8 Dy2 Dy2 87.34(7) . 3_666
O1 Dy2 Dy2 100.73(7) . 3_666
O3 Dy2 Dy2 68.56(7) 3_666 3_666
O2 Dy2 Dy2 35.62(6) . 3_666
N7 Dy2 Dy2 94.42(8) . 3_666
Dy1 Dy2 Dy2 62.792(6) 3_666 3_666
O6 Dy2 Dy1 117.75(8) . .
O2 Dy2 Dy1 33.91(6) 3_666 .
O7 Dy2 Dy1 80.90(7) . .
O8 Dy2 Dy1 36.18(7) . .
O1 Dy2 Dy1 152.74(7) . .
O3 Dy2 Dy1 110.07(7) 3_666 .
O2 Dy2 Dy1 84.91(6) . .
N7 Dy2 Dy1 88.16(8) . .
Dy1 Dy2 Dy1 118.555(6) 3_666 .
Dy2 Dy2 Dy1 55.764(5) 3_666 .
C52 O5 Dy1 131.5(3) . .
Dy1 O2 Dy2 112.13(11) 3_666 3_666
Dy1 O2 Dy2 98.80(10) 3_666 .
Dy2 O2 Dy2 107.45(10) 3_666 .
C6 O1 Dy1 121.0(2) . 3_666
C6 O1 Dy2 141.0(3) . .
Dy1 O1 Dy2 97.96(10) 3_666 .
C61 O6 Dy2 134.4(3) . .
C21 O3 Dy1 120.9(2) . .
C21 O3 Dy2 141.4(3) . 3_666
Dy1 O3 Dy2 97.74(10) . 3_666
C63 O7 Dy2 132.9(3) . .
C31 N7 C35 117.8(4) . .
C31 N7 Dy2 127.3(3) . .
C35 N7 Dy2 114.0(3) . .
C50 O4 Dy1 134.2(3) . .
C16 N4 C20 118.0(4) . .
C16 N4 Dy1 126.6(3) . .
C20 N4 Dy1 114.9(3) . .
N4 C20 C19 122.1(4) . .
N4 C20 C21 117.0(4) . .
C19 C20 C21 120.9(4) . .
C36 C37 C38 120.7(5) . .
C1 N1 C5 117.2(4) . .
C1 N1 Dy1 128.5(3) . 3_666
C5 N1 Dy1 113.2(3) . 3_666
C40 N8 C39 125.3(7) . .
C25 N5 C24 121.6(5) . .
C17 C18 C19 120.3(4) . .
C36 O8 Dy2 117.9(2) . .
C36 O8 Dy1 123.2(2) . .
Dy2 O8 Dy1 108.09(11) . .
C48 C49 C47 111.4(5) . .
C48 C49 C46 105.9(5) . .
C47 C49 C46 107.8(6) . .
C48 C49 C50 109.7(4) . .
C47 C49 C50 110.5(5) . .
C46 C49 C50 111.3(5) . .
C10 N2 C9 121.1(5) . .
O3 C21 C22 124.3(4) . .
O3 C21 C20 118.4(4) . .
C22 C21 C20 117.3(4) . .
C18 C19 C20 117.3(4) . .
C18 C19 C24 123.4(4) . .
C20 C19 C24 119.3(4) . .
O7 C63 C62 123.5(5) . .
O7 C63 C64 117.6(5) . .
C62 C63 C64 118.8(5) . .
C9 C8 C7 121.4(4) . .
O1 C6 C7 123.9(4) . .
O1 C6 C5 118.9(4) . .
C7 C6 C5 117.2(4) . .
N7 C35 C34 122.1(4) . .
N7 C35 C36 116.5(4) . .
C34 C35 C36 121.4(4) . .
N4 C16 C17 123.7(5) . .
O5 C52 C51 124.7(4) . .
O5 C52 C53 117.7(4) . .
C51 C52 C53 117.6(4) . .
C3 C4 C5 117.1(4) . .
C3 C4 C9 123.5(4) . .
C5 C4 C9 119.3(4) . .
O4 C50 C51 124.4(4) . .
O4 C50 C49 117.7(4) . .
C51 C50 C49 118.0(4) . .
C18 C17 C16 118.6(4) . .
C2 C3 C4 119.7(5) . .
N1 C1 C2 123.9(4) . .
C3 C2 C1 119.7(5) . .
C23 C24 N5 125.3(5) . .
C23 C24 C19 118.9(4) . .
N5 C24 C19 115.8(4) . .
C66 C64 C65 110.5(6) . .
C66 C64 C63 111.4(5) . .
C65 C64 C63 108.1(5) . .
C66 C64 C67 108.9(6) . .
C65 C64 C67 106.5(6) . .
C63 C64 C67 111.3(4) . .
C6 C7 C8 122.4(4) . .
N7 C31 C32 123.5(4) . .
C38 C39 N8 125.9(5) . .
C38 C39 C34 118.1(5) . .
N8 C39 C34 116.0(5) . .
C33 C32 C31 119.4(5) . .
N1 C5 C4 122.4(4) . .
N1 C5 C6 116.8(4) . .
C4 C5 C6 120.8(4) . .
C21 C22 C23 121.7(4) . .
C56 C53 C55 112.3(6) . .
C56 C53 C52 112.0(5) . .
C55 C53 C52 110.6(5) . .
C56 C53 C54 107.6(7) . .
C55 C53 C54 105.9(5) . .
C52 C53 C54 108.1(5) . .
C8 C9 N2 123.8(4) . .
C8 C9 C4 118.8(4) . .
N2 C9 C4 117.4(4) . .
C58 C60 C59 109.2(5) . .
C58 C60 C57 109.6(5) . .
C59 C60 C57 108.7(6) . .
C58 C60 C61 107.3(4) . .
C59 C60 C61 113.2(5) . .
C57 C60 C61 108.8(4) . .
C50 C51 C52 125.8(4) . .
C39 C38 C37 122.4(5) . .
O6 C61 C62 123.9(5) . .
O6 C61 C60 115.5(5) . .
C62 C61 C60 120.5(5) . .
C24 C23 C22 121.8(4) . .
C33 C34 C35 117.3(4) . .
C33 C34 C39 123.6(5) . .
C35 C34 C39 119.1(5) . .
N2 C10 C11 125.1(6) . .
C15 C11 C12 117.1(7) . .
C15 C11 C10 119.5(6) . .
C12 C11 C10 123.2(6) . .
C61 C62 C63 125.5(5) . .
N5 C25 C26 120.4(6) . .
C32 C33 C34 119.8(5) . .
O8 C36 C37 123.3(4) . .
O8 C36 C35 119.0(4) . .
C37 C36 C35 117.6(4) . .
C42B C41 C42A 65.7(9) . .
C42B C41 C45A 73.9(8) . .
C42A C41 C45A 120.0 . .
C42B C41 C45B 106.0(11) . .
C42A C41 C45B 54.7(8) . .
C45A C41 C45B 100.4(7) . .
C42B C41 C40 131.2(11) . .
C42A C41 C40 119.7(6) . .
C45A C41 C40 120.2(6) . .
C45B C41 C40 115.3(8) . .
C43A C42A C41 120.0 . .
C42A C43A N9A 120.0 . .
C43A N9A C44A 120.0 . .
C45A C44A N9A 120.0 . .
C44A C45A C41 120.0 . .
C41 C42B C43B 124.5(17) . .
N9B C43B C42B 120.9(18) . .
C44B N9B C43B 119.6(18) . .
N9B C44B C45B 118.8(19) . .
C44B C45B C41 122.9(15) . .
N8 C40 C41 127.1(8) . .
N3 C13 C12 122.9(9) . .
C11 C12 C13 122.0(8) . .
C13 N3 C14 115.9(9) . .
C11 C15 C14 118.4(10) . .
C15 C14 N3 121.8(12) . .
C27 C26 C30 120.0 . .
C27 C26 C25 120.1(5) . .
C30 C26 C25 119.8(5) . .
C28 C27 C26 120.0 . .
C27 C28 N6 120.0 . .
C28 N6 C29 120.0 . .
N6 C29 C30 120.0 . .
C29 C30 C26 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.302(3) .
Dy1 O5 2.329(3) .
Dy1 O2 2.335(3) 3_666
Dy1 O1 2.371(3) 3_666
Dy1 O3 2.374(3) .
Dy1 O8 2.407(3) .
Dy1 N4 2.533(3) .
Dy1 N1 2.587(4) 3_666
Dy1 Dy2 3.6035(3) 3_666
Dy1 Dy2 3.8764(3) .
Dy2 O6 2.284(3) .
Dy2 O2 2.337(3) 3_666
Dy2 O7 2.344(3) .
Dy2 O8 2.381(3) .
Dy2 O1 2.405(3) .
Dy2 O3 2.410(3) 3_666
Dy2 O2 2.411(3) .
Dy2 N7 2.535(4) .
Dy2 Dy1 3.6034(3) 3_666
Dy2 Dy2 3.8285(4) 3_666
O5 C52 1.276(5) .
O2 Dy1 2.335(3) 3_666
O2 Dy2 2.338(3) 3_666
O1 C6 1.320(5) .
O1 Dy1 2.371(3) 3_666
O6 C61 1.272(6) .
O3 C21 1.325(5) .
O3 Dy2 2.410(3) 3_666
O7 C63 1.274(6) .
N7 C31 1.320(6) .
N7 C35 1.374(6) .
O4 C50 1.270(5) .
N4 C16 1.324(6) .
N4 C20 1.365(5) .
C20 C19 1.417(6) .
C20 C21 1.431(6) .
C37 C36 1.380(6) .
C37 C38 1.408(7) .
N1 C1 1.327(6) .
N1 C5 1.373(6) .
N1 Dy1 2.587(3) 3_666
N8 C40 1.179(8) .
N8 C39 1.410(7) .
N5 C25 1.249(8) .
N5 C24 1.412(6) .
C18 C17 1.362(7) .
C18 C19 1.406(7) .
C48 C49 1.498(8) .
O8 C36 1.337(5) .
C57 C60 1.538(9) .
C49 C47 1.502(9) .
C49 C46 1.540(9) .
C49 C50 1.545(6) .
N2 C10 1.228(7) .
N2 C9 1.403(6) .
C21 C22 1.379(6) .
C19 C24 1.420(7) .
C63 C62 1.396(8) .
C63 C64 1.539(7) .
C8 C9 1.383(7) .
C8 C7 1.396(6) .
C6 C7 1.381(6) .
C6 C5 1.439(6) .
C35 C34 1.417(6) .
C35 C36 1.419(7) .
C16 C17 1.401(7) .
C52 C51 1.387(7) .
C52 C53 1.548(7) .
C4 C3 1.410(7) .
C4 C5 1.418(6) .
C4 C9 1.427(7) .
C50 C51 1.386(7) .
C3 C2 1.355(7) .
C1 C2 1.386(7) .
C24 C23 1.369(7) .
C64 C66 1.507(9) .
C64 C65 1.519(8) .
C64 C67 1.545(9) .
C31 C32 1.401(7) .
C39 C38 1.374(8) .
C39 C34 1.422(7) .
C32 C33 1.353(8) .
C22 C23 1.399(6) .
C53 C56 1.454(9) .
C53 C55 1.511(9) .
C53 C54 1.564(10) .
C60 C58 1.521(8) .
C60 C59 1.529(9) .
C60 C61 1.547(7) .
C61 C62 1.376(8) .
C34 C33 1.412(8) .
C10 C11 1.463(8) .
C11 C15 1.330(11) .
C11 C12 1.352(9) .
C25 C26 1.483(6) .
C41 C42B 1.380(18) .
C41 C42A 1.3900 .
C41 C45A 1.3900 .
C41 C45B 1.47(2) .
C41 C40 1.469(8) .
C42A C43A 1.3900 .
C43A N9A 1.3900 .
N9A C44A 1.3900 .
C44A C45A 1.3900 .
C42B C43B 1.40(2) .
C43B N9B 1.36(3) .
N9B C44B 1.29(2) .
C44B C45B 1.43(2) .
C13 N3 1.225(12) .
C13 C12 1.387(11) .
N3 C14 1.405(14) .
C15 C14 1.388(13) .
C26 C27 1.3900 .
C26 C30 1.3900 .
C27 C28 1.3900 .
C28 N6 1.3900 .
N6 C29 1.3900 .
C29 C30 1.3900 .
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
O4 Dy1 Dy2 O6 -13.98(12) . .
O5 Dy1 Dy2 O6 -92.40(12) . .
O2 Dy1 Dy2 O6 -146.32(15) 3_666 .
O1 Dy1 Dy2 O6 -174.90(12) 3_666 .
O3 Dy1 Dy2 O6 124.15(12) . .
O8 Dy1 Dy2 O6 23.15(15) . .
N4 Dy1 Dy2 O6 70.64(13) . .
N1 Dy1 Dy2 O6 -167.4(3) 3_666 .
Dy2 Dy1 Dy2 O6 169.81(9) 3_666 .
O4 Dy1 Dy2 O2 132.34(14) . 3_666
O5 Dy1 Dy2 O2 53.92(14) . 3_666
O1 Dy1 Dy2 O2 -28.58(14) 3_666 3_666
O3 Dy1 Dy2 O2 -89.53(14) . 3_666
O8 Dy1 Dy2 O2 169.47(17) . 3_666
N4 Dy1 Dy2 O2 -143.05(15) . 3_666
N1 Dy1 Dy2 O2 -21.1(3) 3_666 3_666
Dy2 Dy1 Dy2 O2 -43.87(12) 3_666 3_666
O4 Dy1 Dy2 O7 51.30(11) . .
O5 Dy1 Dy2 O7 -27.12(11) . .
O2 Dy1 Dy2 O7 -81.04(14) 3_666 .
O1 Dy1 Dy2 O7 -109.62(10) 3_666 .
O3 Dy1 Dy2 O7 -170.57(11) . .
O8 Dy1 Dy2 O7 88.43(14) . .
N4 Dy1 Dy2 O7 135.92(12) . .
N1 Dy1 Dy2 O7 -102.1(3) 3_666 .
Dy2 Dy1 Dy2 O7 -124.91(8) 3_666 .
O4 Dy1 Dy2 O8 -37.13(14) . .
O5 Dy1 Dy2 O8 -115.55(14) . .
O2 Dy1 Dy2 O8 -169.47(17) 3_666 .
O1 Dy1 Dy2 O8 161.95(14) 3_666 .
O3 Dy1 Dy2 O8 101.00(14) . .
N4 Dy1 Dy2 O8 47.49(15) . .
N1 Dy1 Dy2 O8 169.4(3) 3_666 .
Dy2 Dy1 Dy2 O8 146.67(12) 3_666 .
O4 Dy1 Dy2 O1 -149.82(16) . .
O5 Dy1 Dy2 O1 131.76(16) . .
O2 Dy1 Dy2 O1 77.84(19) 3_666 .
O1 Dy1 Dy2 O1 49.3(2) 3_666 .
O3 Dy1 Dy2 O1 -11.69(16) . .
O8 Dy1 Dy2 O1 -112.69(19) . .
N4 Dy1 Dy2 O1 -65.20(17) . .
N1 Dy1 Dy2 O1 56.7(4) 3_666 .
Dy2 Dy1 Dy2 O1 33.98(14) 3_666 .
O4 Dy1 Dy2 O3 132.21(11) . 3_666
O5 Dy1 Dy2 O3 53.80(10) . 3_666
O2 Dy1 Dy2 O3 -0.12(14) 3_666 3_666
O1 Dy1 Dy2 O3 -28.71(10) 3_666 3_666
O3 Dy1 Dy2 O3 -89.65(10) . 3_666
O8 Dy1 Dy2 O3 169.34(14) . 3_666
N4 Dy1 Dy2 O3 -143.17(11) . 3_666
N1 Dy1 Dy2 O3 -21.2(3) 3_666 3_666
Dy2 Dy1 Dy2 O3 -43.99(7) 3_666 3_666
O4 Dy1 Dy2 O2 -161.69(10) . .
O5 Dy1 Dy2 O2 119.89(10) . .
O2 Dy1 Dy2 O2 65.97(16) 3_666 .
O1 Dy1 Dy2 O2 37.39(9) 3_666 .
O3 Dy1 Dy2 O2 -23.56(10) . .
O8 Dy1 Dy2 O2 -124.56(14) . .
N4 Dy1 Dy2 O2 -77.07(11) . .
N1 Dy1 Dy2 O2 44.9(3) 3_666 .
Dy2 Dy1 Dy2 O2 22.10(6) 3_666 .
O4 Dy1 Dy2 N7 -87.19(11) . .
O5 Dy1 Dy2 N7 -165.61(11) . .
O2 Dy1 Dy2 N7 140.47(15) 3_666 .
O1 Dy1 Dy2 N7 111.89(11) 3_666 .
O3 Dy1 Dy2 N7 50.94(11) . .
O8 Dy1 Dy2 N7 -50.06(14) . .
N4 Dy1 Dy2 N7 -2.57(12) . .
N1 Dy1 Dy2 N7 119.4(3) 3_666 .
Dy2 Dy1 Dy2 N7 96.61(8) 3_666 .
O4 Dy1 Dy2 Dy1 176.21(8) . 3_666
O5 Dy1 Dy2 Dy1 97.79(8) . 3_666
O2 Dy1 Dy2 Dy1 43.87(12) 3_666 3_666
O1 Dy1 Dy2 Dy1 15.29(7) 3_666 3_666
O3 Dy1 Dy2 Dy1 -45.66(7) . 3_666
O8 Dy1 Dy2 Dy1 -146.67(12) . 3_666
N4 Dy1 Dy2 Dy1 -99.18(9) . 3_666
N1 Dy1 Dy2 Dy1 22.8(3) 3_666 3_666
Dy2 Dy1 Dy2 Dy1 0.0 3_666 3_666
O4 Dy1 Dy2 Dy2 176.21(8) . 3_666
O5 Dy1 Dy2 Dy2 97.79(8) . 3_666
O2 Dy1 Dy2 Dy2 43.87(12) 3_666 3_666
O1 Dy1 Dy2 Dy2 15.29(7) 3_666 3_666
O3 Dy1 Dy2 Dy2 -45.66(7) . 3_666
O8 Dy1 Dy2 Dy2 -146.67(12) . 3_666
N4 Dy1 Dy2 Dy2 -99.18(9) . 3_666
N1 Dy1 Dy2 Dy2 22.8(3) 3_666 3_666
O4 Dy1 O5 C52 23.7(4) . .
O2 Dy1 O5 C52 162.6(4) 3_666 .
O1 Dy1 O5 C52 -126.2(4) 3_666 .
O3 Dy1 O5 C52 -155.3(4) . .
O8 Dy1 O5 C52 100.0(4) . .
N4 Dy1 O5 C52 -15.7(5) . .
N1 Dy1 O5 C52 -58.9(4) 3_666 .
Dy2 Dy1 O5 C52 -161.5(4) 3_666 .
Dy2 Dy1 O5 C52 135.4(4) . .
O6 Dy2 O2 Dy1 81.03(17) . 3_666
O2 Dy2 O2 Dy1 -116.64(14) 3_666 3_666
O7 Dy2 O2 Dy1 -82.17(17) . 3_666
O8 Dy2 O2 Dy1 -179.17(9) . 3_666
O1 Dy2 O2 Dy1 36.89(9) . 3_666
O3 Dy2 O2 Dy1 -35.29(9) 3_666 3_666
N7 Dy2 O2 Dy1 121.57(12) . 3_666
Dy2 Dy2 O2 Dy1 -116.64(14) 3_666 3_666
Dy1 Dy2 O2 Dy1 -148.92(8) . 3_666
O6 Dy2 O2 Dy2 -162.34(13) . 3_666
O2 Dy2 O2 Dy2 0.0 3_666 3_666
O7 Dy2 O2 Dy2 34.5(2) . 3_666
O8 Dy2 O2 Dy2 -62.53(12) . 3_666
O1 Dy2 O2 Dy2 153.53(13) . 3_666
O3 Dy2 O2 Dy2 81.34(11) 3_666 3_666
N7 Dy2 O2 Dy2 -121.79(12) . 3_666
Dy1 Dy2 O2 Dy2 116.64(14) 3_666 3_666
Dy1 Dy2 O2 Dy2 -32.28(8) . 3_666
O6 Dy2 O1 C6 -10.3(4) . .
O2 Dy2 O1 C6 179.7(4) 3_666 .
O7 Dy2 O1 C6 -74.2(4) . .
O8 Dy2 O1 C6 58.3(5) . .
O3 Dy2 O1 C6 -139.8(4) 3_666 .
O2 Dy2 O1 C6 144.0(4) . .
N7 Dy2 O1 C6 66.8(4) . .
Dy1 Dy2 O1 C6 -179.8(5) 3_666 .
Dy2 Dy2 O1 C6 159.3(4) 3_666 .
Dy1 Dy2 O1 C6 131.3(4) . .
O6 Dy2 O1 Dy1 169.54(12) . 3_666
O2 Dy2 O1 Dy1 -0.49(17) 3_666 3_666
O7 Dy2 O1 Dy1 105.64(12) . 3_666
O8 Dy2 O1 Dy1 -121.81(15) . 3_666
O3 Dy2 O1 Dy1 40.07(9) 3_666 3_666
O2 Dy2 O1 Dy1 -36.14(9) . 3_666
N7 Dy2 O1 Dy1 -113.38(12) . 3_666
Dy2 Dy2 O1 Dy1 -20.82(9) 3_666 3_666
Dy1 Dy2 O1 Dy1 -48.87(19) . 3_666
O2 Dy2 O6 C61 11.9(5) 3_666 .
O7 Dy2 O6 C61 -26.9(4) . .
O8 Dy2 O6 C61 56.3(4) . .
O1 Dy2 O6 C61 -156.0(4) . .
O3 Dy2 O6 C61 -99.2(4) 3_666 .
O2 Dy2 O6 C61 163.3(4) . .
N7 Dy2 O6 C61 123.1(4) . .
Dy1 Dy2 O6 C61 -147.9(4) 3_666 .
Dy2 Dy2 O6 C61 93.6(6) 3_666 .
Dy1 Dy2 O6 C61 42.8(4) . .
O4 Dy1 O3 C21 -7.8(4) . .
O5 Dy1 O3 C21 170.7(3) . .
O2 Dy1 O3 C21 -145.0(3) 3_666 .
O1 Dy1 O3 C21 139.4(3) 3_666 .
O8 Dy1 O3 C21 -73.1(3) . .
N4 Dy1 O3 C21 14.6(3) . .
N1 Dy1 O3 C21 84.9(3) 3_666 .
Dy2 Dy1 O3 C21 179.7(3) 3_666 .
Dy2 Dy1 O3 C21 -108.9(3) . .
O4 Dy1 O3 Dy2 172.49(12) . 3_666
O5 Dy1 O3 Dy2 -9.0(2) . 3_666
O2 Dy1 O3 Dy2 35.34(9) 3_666 3_666
O1 Dy1 O3 Dy2 -40.29(10) 3_666 3_666
O8 Dy1 O3 Dy2 107.25(11) . 3_666
N4 Dy1 O3 Dy2 -165.10(14) . 3_666
N1 Dy1 O3 Dy2 -94.75(11) 3_666 3_666
Dy2 Dy1 O3 Dy2 71.42(7) . 3_666
O6 Dy2 O7 C63 24.3(4) . .
O2 Dy2 O7 C63 -132.9(4) 3_666 .
O8 Dy2 O7 C63 -61.9(4) . .
O1 Dy2 O7 C63 93.0(4) . .
O3 Dy2 O7 C63 150.1(4) 3_666 .
O2 Dy2 O7 C63 -166.5(3) . .
N7 Dy2 O7 C63 -21.3(5) . .
Dy1 Dy2 O7 C63 142.9(4) 3_666 .
Dy2 Dy2 O7 C63 -145.6(4) 3_666 .
Dy1 Dy2 O7 C63 -98.5(4) . .
O6 Dy2 N7 C31 97.3(4) . .
O2 Dy2 N7 C31 -120.7(4) 3_666 .
O7 Dy2 N7 C31 142.0(4) . .
O8 Dy2 N7 C31 -173.2(4) . .
O1 Dy2 N7 C31 12.0(4) . .
O3 Dy2 N7 C31 -25.3(4) 3_666 .
O2 Dy2 N7 C31 -58.3(4) . .
Dy1 Dy2 N7 C31 -25.0(4) 3_666 .
Dy2 Dy2 N7 C31 -88.1(4) 3_666 .
Dy1 Dy2 N7 C31 -143.5(4) . .
O6 Dy2 N7 C35 -72.1(3) . .
O2 Dy2 N7 C35 69.9(3) 3_666 .
O7 Dy2 N7 C35 -27.4(4) . .
O8 Dy2 N7 C35 17.4(3) . .
O1 Dy2 N7 C35 -157.3(3) . .
O3 Dy2 N7 C35 165.3(3) 3_666 .
O2 Dy2 N7 C35 132.3(3) . .
Dy1 Dy2 N7 C35 165.6(3) 3_666 .
Dy2 Dy2 N7 C35 102.6(3) 3_666 .
Dy1 Dy2 N7 C35 47.1(3) . .
O5 Dy1 O4 C50 -17.2(4) . .
O2 Dy1 O4 C50 -79.8(4) 3_666 .
O1 Dy1 O4 C50 35.0(5) 3_666 .
O3 Dy1 O4 C50 161.9(3) . .
O8 Dy1 O4 C50 -134.8(4) . .
N4 Dy1 O4 C50 141.0(4) . .
N1 Dy1 O4 C50 59.5(4) 3_666 .
Dy2 Dy1 O4 C50 -78.4(9) 3_666 .
Dy2 Dy1 O4 C50 -114.1(4) . .
O4 Dy1 N4 C16 -18.0(4) . .
O5 Dy1 N4 C16 20.7(5) . .
O2 Dy1 N4 C16 -156.9(3) 3_666 .
O1 Dy1 N4 C16 122.3(4) 3_666 .
O3 Dy1 N4 C16 176.1(4) . .
O8 Dy1 N4 C16 -103.8(4) . .
N1 Dy1 N4 C16 62.8(4) 3_666 .
Dy2 Dy1 N4 C16 165.8(4) 3_666 .
Dy2 Dy1 N4 C16 -129.4(4) . .
O4 Dy1 N4 C20 154.0(3) . .
O5 Dy1 N4 C20 -167.3(3) . .
O2 Dy1 N4 C20 15.1(4) 3_666 .
O1 Dy1 N4 C20 -65.7(3) 3_666 .
O3 Dy1 N4 C20 -12.0(3) . .
O8 Dy1 N4 C20 68.2(3) . .
N1 Dy1 N4 C20 -125.2(3) 3_666 .
Dy2 Dy1 N4 C20 -22.2(3) 3_666 .
Dy2 Dy1 N4 C20 42.5(3) . .
C16 N4 C20 C19 1.5(6) . .
Dy1 N4 C20 C19 -171.2(3) . .
C16 N4 C20 C21 -177.9(4) . .
Dy1 N4 C20 C21 9.4(5) . .
O6 Dy2 O8 C36 54.9(3) . .
O2 Dy2 O8 C36 -151.8(3) 3_666 .
O7 Dy2 O8 C36 128.6(3) . .
O1 Dy2 O8 C36 -13.4(4) . .
O3 Dy2 O8 C36 -163.3(3) 3_666 .
O2 Dy2 O8 C36 -87.4(3) . .
N7 Dy2 O8 C36 -22.5(3) . .
Dy1 Dy2 O8 C36 -88.3(3) 3_666 .
Dy2 Dy2 O8 C36 -118.5(3) 3_666 .
Dy1 Dy2 O8 C36 -145.6(3) . .
O6 Dy2 O8 Dy1 -159.52(13) . .
O2 Dy2 O8 Dy1 -6.24(10) 3_666 .
O7 Dy2 O8 Dy1 -85.86(12) . .
O1 Dy2 O8 Dy1 132.13(14) . .
O3 Dy2 O8 Dy1 -17.8(2) 3_666 .
O2 Dy2 O8 Dy1 58.21(13) . .
N7 Dy2 O8 Dy1 123.07(15) . .
Dy1 Dy2 O8 Dy1 57.28(17) 3_666 .
Dy2 Dy2 O8 Dy1 27.05(9) 3_666 .
O4 Dy1 O8 C36 -70.3(3) . .
O5 Dy1 O8 C36 -140.5(3) . .
O2 Dy1 O8 C36 149.6(3) 3_666 .
O1 Dy1 O8 C36 118.5(3) 3_666 .
O3 Dy1 O8 C36 75.2(3) . .
N4 Dy1 O8 C36 8.1(3) . .
N1 Dy1 O8 C36 -29.7(5) 3_666 .
Dy2 Dy1 O8 C36 114.5(3) 3_666 .
Dy2 Dy1 O8 C36 143.4(4) . .
O4 Dy1 O8 Dy2 146.35(13) . .
O5 Dy1 O8 Dy2 76.16(14) . .
O2 Dy1 O8 Dy2 6.26(10) 3_666 .
O1 Dy1 O8 Dy2 -24.89(19) 3_666 .
O3 Dy1 O8 Dy2 -68.19(11) . .
N4 Dy1 O8 Dy2 -135.21(13) . .
N1 Dy1 O8 Dy2 -173.0(2) 3_666 .
Dy2 Dy1 O8 Dy2 -28.89(10) 3_666 .
Dy1 O3 C21 C22 164.6(3) . .
Dy2 O3 C21 C22 -15.9(7) 3_666 .
Dy1 O3 C21 C20 -15.8(5) . .
Dy2 O3 C21 C20 163.6(3) 3_666 .
N4 C20 C21 O3 3.3(6) . .
C19 C20 C21 O3 -176.2(4) . .
N4 C20 C21 C22 -177.2(4) . .
C19 C20 C21 C22 3.4(6) . .
C17 C18 C19 C20 1.9(8) . .
C17 C18 C19 C24 -179.8(5) . .
N4 C20 C19 C18 -2.9(7) . .
C21 C20 C19 C18 176.6(4) . .
N4 C20 C19 C24 178.7(4) . .
C21 C20 C19 C24 -1.9(7) . .
Dy2 O7 C63 C62 -16.5(7) . .
Dy2 O7 C63 C64 162.4(3) . .
Dy1 O1 C6 C7 160.8(4) 3_666 .
Dy2 O1 C6 C7 -19.4(7) . .
Dy1 O1 C6 C5 -19.2(5) 3_666 .
Dy2 O1 C6 C5 160.6(3) . .
C31 N7 C35 C34 -1.2(6) . .
Dy2 N7 C35 C34 169.2(4) . .
C31 N7 C35 C36 177.7(4) . .
Dy2 N7 C35 C36 -11.8(5) . .
C20 N4 C16 C17 0.9(7) . .
Dy1 N4 C16 C17 172.6(4) . .
Dy1 O5 C52 C51 -21.6(7) . .
Dy1 O5 C52 C53 156.8(4) . .
Dy1 O4 C50 C51 7.7(7) . .
Dy1 O4 C50 C49 -171.2(3) . .
C48 C49 C50 O4 -121.3(5) . .
C47 C49 C50 O4 115.5(6) . .
C46 C49 C50 O4 -4.3(7) . .
C48 C49 C50 C51 59.8(7) . .
C47 C49 C50 C51 -63.5(7) . .
C46 C49 C50 C51 176.7(5) . .
C19 C18 C17 C16 0.3(8) . .
N4 C16 C17 C18 -1.8(8) . .
C5 C4 C3 C2 0.8(8) . .
C9 C4 C3 C2 -178.5(5) . .
C5 N1 C1 C2 0.2(7) . .
Dy1 N1 C1 C2 166.9(4) 3_666 .
C4 C3 C2 C1 0.6(8) . .
N1 C1 C2 C3 -1.2(9) . .
C25 N5 C24 C23 27.3(8) . .
C25 N5 C24 C19 -152.8(5) . .
C18 C19 C24 C23 -179.1(5) . .
C20 C19 C24 C23 -0.8(7) . .
C18 C19 C24 N5 1.0(8) . .
C20 C19 C24 N5 179.3(4) . .
O7 C63 C64 C66 130.4(6) . .
C62 C63 C64 C66 -50.7(8) . .
O7 C63 C64 C65 -108.0(6) . .
C62 C63 C64 C65 71.0(7) . .
O7 C63 C64 C67 8.6(7) . .
C62 C63 C64 C67 -172.4(5) . .
O1 C6 C7 C8 178.8(4) . .
C5 C6 C7 C8 -1.2(7) . .
C9 C8 C7 C6 0.0(8) . .
C35 N7 C31 C32 0.7(7) . .
Dy2 N7 C31 C32 -168.3(4) . .
C40 N8 C39 C38 -13.8(12) . .
C40 N8 C39 C34 164.7(8) . .
N7 C31 C32 C33 -0.2(9) . .
C1 N1 C5 C4 1.4(6) . .
Dy1 N1 C5 C4 -167.3(3) 3_666 .
C1 N1 C5 C6 -178.0(4) . .
Dy1 N1 C5 C6 13.3(5) 3_666 .
C3 C4 C5 N1 -1.9(7) . .
C9 C4 C5 N1 177.5(4) . .
C3 C4 C5 C6 177.5(4) . .
C9 C4 C5 C6 -3.2(7) . .
O1 C6 C5 N1 2.2(6) . .
C7 C6 C5 N1 -177.8(4) . .
O1 C6 C5 C4 -177.2(4) . .
C7 C6 C5 C4 2.8(6) . .
O3 C21 C22 C23 177.2(4) . .
C20 C21 C22 C23 -2.3(7) . .
O5 C52 C53 C56 -2.5(9) . .
C51 C52 C53 C56 176.1(7) . .
O5 C52 C53 C55 123.7(6) . .
C51 C52 C53 C55 -57.8(7) . .
O5 C52 C53 C54 -120.8(6) . .
C51 C52 C53 C54 57.7(7) . .
C7 C8 C9 N2 -179.8(5) . .
C7 C8 C9 C4 -0.3(8) . .
C10 N2 C9 C8 -22.8(9) . .
C10 N2 C9 C4 157.6(6) . .
C3 C4 C9 C8 -178.8(5) . .
C5 C4 C9 C8 1.9(7) . .
C3 C4 C9 N2 0.8(8) . .
C5 C4 C9 N2 -178.5(4) . .
O4 C50 C51 C52 7.2(8) . .
C49 C50 C51 C52 -174.0(5) . .
O5 C52 C51 C50 0.2(9) . .
C53 C52 C51 C50 -178.2(5) . .
N8 C39 C38 C37 173.4(6) . .
C34 C39 C38 C37 -5.1(9) . .
C36 C37 C38 C39 -0.5(8) . .
Dy2 O6 C61 C62 21.2(7) . .
Dy2 O6 C61 C60 -161.4(3) . .
C58 C60 C61 O6 -72.3(6) . .
C59 C60 C61 O6 167.1(6) . .
C57 C60 C61 O6 46.1(6) . .
C58 C60 C61 C62 105.2(6) . .
C59 C60 C61 C62 -15.4(8) . .
C57 C60 C61 C62 -136.4(5) . .
N5 C24 C23 C22 -178.2(5) . .
C19 C24 C23 C22 1.9(8) . .
C21 C22 C23 C24 -0.3(8) . .
N7 C35 C34 C33 1.2(7) . .
C36 C35 C34 C33 -177.8(5) . .
N7 C35 C34 C39 -179.4(5) . .
C36 C35 C34 C39 1.7(7) . .
C38 C39 C34 C33 -176.2(5) . .
N8 C39 C34 C33 5.1(8) . .
C38 C39 C34 C35 4.4(8) . .
N8 C39 C34 C35 -174.3(5) . .
C9 N2 C10 C11 178.1(6) . .
N2 C10 C11 C15 -13.7(13) . .
N2 C10 C11 C12 171.9(9) . .
O6 C61 C62 C63 2.6(9) . .
C60 C61 C62 C63 -174.7(5) . .
O7 C63 C62 C61 -4.4(8) . .
C64 C63 C62 C61 176.7(5) . .
C24 N5 C25 C26 178.6(5) . .
C31 C32 C33 C34 0.1(9) . .
C35 C34 C33 C32 -0.6(8) . .
C39 C34 C33 C32 -180.0(6) . .
Dy2 O8 C36 C37 -156.1(4) . .
Dy1 O8 C36 C37 63.8(5) . .
Dy2 O8 C36 C35 26.3(5) . .
Dy1 O8 C36 C35 -113.7(4) . .
C38 C37 C36 O8 -171.0(4) . .
C38 C37 C36 C35 6.6(7) . .
N7 C35 C36 O8 -8.4(6) . .
C34 C35 C36 O8 170.6(4) . .
N7 C35 C36 C37 173.9(4) . .
C34 C35 C36 C37 -7.1(7) . .
C42B C41 C42A C43A -52.4(9) . .
C45A C41 C42A C43A 0.0 . .
C45B C41 C42A C43A 81.2(8) . .
C40 C41 C42A C43A -177.4(8) . .
C41 C42A C43A N9A 0.0 . .
C42A C43A N9A C44A 0.0 . .
C43A N9A C44A C45A 0.0 . .
N9A C44A C45A C41 0.0 . .
C42B C41 C45A C44A 48.7(9) . .
C42A C41 C45A C44A 0.0 . .
C45B C41 C45A C44A -55.1(7) . .
C40 C41 C45A C44A 177.4(8) . .
C42A C41 C42B C43B 64.6(17) . .
C45A C41 C42B C43B -69.9(17) . .
C45B C41 C42B C43B 27(2) . .
C40 C41 C42B C43B 173.8(14) . .
C41 C42B C43B N9B -15(3) . .
C42B C43B N9B C44B 3(3) . .
C43B N9B C44B C45B -7(3) . .
N9B C44B C45B C41 23(3) . .
C42B C41 C45B C44B -31(2) . .
C42A C41 C45B C44B -74.1(16) . .
C45A C41 C45B C44B 45.5(18) . .
C40 C41 C45B C44B 176.2(15) . .
C39 N8 C40 C41 -174.2(8) . .
C42B C41 C40 N8 -117.5(15) . .
C42A C41 C40 N8 -34.9(14) . .
C45A C41 C40 N8 147.7(10) . .
C45B C41 C40 N8 27.3(16) . .
C15 C11 C12 C13 3.5(16) . .
C10 C11 C12 C13 178.0(9) . .
N3 C13 C12 C11 2.1(19) . .
C12 C13 N3 C14 -12(2) . .
C12 C11 C15 C14 1.7(16) . .
C10 C11 C15 C14 -173.0(10) . .
C11 C15 C14 N3 -12(2) . .
C13 N3 C14 C15 17(2) . .
N5 C25 C26 C27 4.0(7) . .
N5 C25 C26 C30 -172.0(5) . .
C30 C26 C27 C28 0.0 . .
C25 C26 C27 C28 -176.0(5) . .
C26 C27 C28 N6 0.0 . .
C27 C28 N6 C29 0.0 . .
C28 N6 C29 C30 0.0 . .
N6 C29 C30 C26 0.0 . .
C27 C26 C30 C29 0.0 . .
C25 C26 C30 C29 176.0(5) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 1.000 314 43 ' '
2 0.362 -0.030 0.420 24 2 ' '
3 0.638 0.030 0.580 24 2 ' '
4 1.000 0.500 0.500 314 43 ' '
5 0.138 0.470 0.080 24 2 ' '
6 0.862 0.530 0.920 24 2 ' '
