#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:28:49 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175964 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223635.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_7223635
loop_
_publ_author_name
'Zhao, Jie'
'Wang, Xin'
'Zhao, Jing'
'Luo, Rui'
'Shen, Xuan'
'Zhu, Dunru'
'Jing, Su'
_publ_section_title
;
 [Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              863
_journal_paper_doi               10.1039/C5CE02417J
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety
'2(C40 H34 Dy2 O18), 2(C1.50 H3.50 N0.50 O0.50)'
_chemical_formula_sum            'C83 H75 Dy4 N O37'
_chemical_formula_weight         2328.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-04-21 deposited with the CCDC.
2015-12-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.1619(9)
_cell_length_b                   21.1619(9)
_cell_length_c                   19.2599(15)
_cell_measurement_reflns_used    6041
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.4184
_cell_measurement_theta_min      2.3236
_cell_volume                     8625.1(8)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_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  0.0970
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            60494
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    3.516
_exptl_absorpt_correction_T_max  0.7200
_exptl_absorpt_correction_T_min  0.6206
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4560
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.294
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     580
_refine_ls_number_reflns         7560
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0428P)²+10.2811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0917
_reflns_number_gt                5717
_reflns_number_total             7560
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02417j2.cif
_cod_data_source_block           L1-Dy
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'multi-scan ' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7223633--7223635.cif.
;
_cod_original_sg_symbol_Hall     '-P 4bc   '
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               7223635
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -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 -0.179005(13) -0.194229(13) 0.680001(15) 0.01281(9) Uani 1 1 d . . .
Dy2 Dy -0.064387(13) -0.069119(13) 0.570060(15) 0.01405(9) Uani 1 1 d . . .
O1W O 0.04695(19) -0.09002(19) 0.5716(2) 0.0224(7) Uani 1 1 d . . .
H1WB H 0.0719 -0.0678 0.5471 0.034 Uiso 1 1 d R . .
H1WA H 0.0687 -0.1216 0.5847 0.034 Uiso 1 1 d R . .
O1 O -0.1092(2) -0.24900(19) 0.6090(2) 0.0213(10) Uani 1 1 d . . .
O2W O -0.2044(2) -0.08767(19) 0.7042(2) 0.0238(10) Uani 1 1 d . . .
H2WA H -0.2359 -0.0720 0.7255 0.036 Uiso 1 1 d R . .
H2WB H -0.1841 -0.0561 0.6884 0.036 Uiso 1 1 d R . .
O2 O -0.0445(2) -0.1788(2) 0.5603(2) 0.0292(11) Uani 1 1 d . . .
O3 O 0.0976(2) -0.5643(2) 0.1832(2) 0.0226(10) Uani 1 1 d . . .
O4 O 0.1763(2) -0.5855(2) 0.2527(2) 0.0229(10) Uani 1 1 d . . .
O5 O 0.1117(2) -0.4557(2) 0.4719(2) 0.0335(12) Uani 1 1 d . . .
O6 O 0.0617(2) -0.2938(2) 0.3627(2) 0.0318(12) Uani 1 1 d . . .
O7 O -0.2379(2) -0.1826(2) 0.5790(2) 0.0256(11) Uani 1 1 d . . .
O8 O -0.1607(2) -0.1165(2) 0.5602(2) 0.0232(10) Uani 1 1 d . . .
O9 O -0.4198(2) -0.0527(2) 0.0455(2) 0.0336(12) Uani 1 1 d . . .
O10 O -0.4802(2) 0.0121(2) 0.1042(2) 0.0303(11) Uani 1 1 d . . .
O11 O -0.3830(3) 0.0129(4) 0.3445(3) 0.0352(17) Uani 0.692(6) 1 d P A 1
C31 C -0.4276(6) 0.0641(6) 0.3459(6) 0.050(3) Uani 0.692(6) 1 d P A 1
H31A H -0.4105 0.1000 0.3198 0.074 Uiso 0.692(6) 1 calc PR A 1
H31B H -0.4352 0.0768 0.3941 0.074 Uiso 0.692(6) 1 calc PR A 1
H31C H -0.4674 0.0503 0.3248 0.074 Uiso 0.692(6) 1 calc PR A 1
O11A O -0.2886(8) -0.1558(8) 0.2311(8) 0.0352(17) Uani 0.308(6) 1 d P A 2
C31A C -0.2771(14) -0.1956(12) 0.1716(13) 0.050(3) Uani 0.308(6) 1 d P A 2
H31D H -0.3145 -0.2217 0.1626 0.074 Uiso 0.308(6) 1 calc PR A 2
H31E H -0.2407 -0.2230 0.1808 0.074 Uiso 0.308(6) 1 calc PR A 2
H31F H -0.2683 -0.1692 0.1310 0.074 Uiso 0.308(6) 1 calc PR A 2
O12 O -0.2325(2) -0.0103(2) 0.3309(2) 0.0348(12) Uani 1 1 d . . .
O13 O -0.1196(2) 0.02105(19) 0.5199(2) 0.0243(11) Uani 1 1 d . . .
O14 O -0.1446(2) 0.0012(2) 0.6293(2) 0.0283(11) Uani 1 1 d . . .
O15 O -0.2830(4) 0.1934(3) 0.6915(5) 0.094(3) Uani 1 1 d . . .
O16 O -0.20631(19) -0.29736(19) 0.7015(2) 0.0224(7) Uani 1 1 d . . .
H16D H -0.1818 -0.3165 0.6737 0.034 Uiso 1 1 d R . .
C1 C -0.0666(3) -0.2335(3) 0.5658(3) 0.0180(14) Uani 1 1 d . . .
C2 C -0.0395(3) -0.2826(3) 0.5183(3) 0.0199(14) Uani 1 1 d . . .
C3 C -0.0471(3) -0.3478(3) 0.5315(3) 0.0237(15) Uani 1 1 d . . .
H3A H -0.0713 -0.3618 0.5701 0.028 Uiso 1 1 calc R . .
C4 C -0.0186(3) -0.3911(3) 0.4873(4) 0.0260(16) Uani 1 1 d . . .
H4A H -0.0238 -0.4349 0.4963 0.031 Uiso 1 1 calc R . .
C5 C 0.0174(3) -0.3727(3) 0.4303(3) 0.0193(14) Uani 1 1 d . . .
C6 C 0.0247(3) -0.3081(3) 0.4181(3) 0.0209(15) Uani 1 1 d . . .
C7 C -0.0032(3) -0.2640(3) 0.4614(3) 0.0197(14) Uani 1 1 d . . .
H7A H 0.0026 -0.2203 0.4522 0.024 Uiso 1 1 calc R . .
C8 C 0.0468(3) -0.4203(3) 0.3817(3) 0.0210(15) Uani 1 1 d . . .
C9 C 0.0947(3) -0.4614(3) 0.4034(3) 0.0232(15) Uani 1 1 d . . .
C10 C 0.1215(3) -0.5041(3) 0.3573(3) 0.0198(14) Uani 1 1 d . . .
H10A H 0.1539 -0.5318 0.3726 0.024 Uiso 1 1 calc R . .
C11 C 0.1008(3) -0.5063(3) 0.2885(3) 0.0180(14) Uani 1 1 d . . .
C12 C 0.0552(3) -0.4642(3) 0.2658(3) 0.0220(15) Uani 1 1 d . . .
H12A H 0.0422 -0.4644 0.2185 0.026 Uiso 1 1 calc R . .
C13 C 0.0285(3) -0.4216(3) 0.3121(3) 0.0250(16) Uani 1 1 d . . .
H13A H -0.0029 -0.3930 0.2962 0.030 Uiso 1 1 calc R . .
C14 C 0.1269(3) -0.5541(3) 0.2386(3) 0.0157(13) Uani 1 1 d U . .
C15 C 0.0634(4) -0.2308(3) 0.3394(4) 0.047(2) Uani 1 1 d . . .
H15A H 0.0915 -0.2277 0.2991 0.070 Uiso 1 1 calc R . .
H15B H 0.0792 -0.2036 0.3767 0.070 Uiso 1 1 calc R . .
H15C H 0.0208 -0.2174 0.3262 0.070 Uiso 1 1 calc R . .
C16 C 0.1663(3) -0.4919(4) 0.4943(4) 0.0361(19) Uani 1 1 d U . .
H16A H 0.1737 -0.4845 0.5439 0.054 Uiso 1 1 calc R . .
H16B H 0.2035 -0.4786 0.4678 0.054 Uiso 1 1 calc R . .
H16C H 0.1585 -0.5370 0.4864 0.054 Uiso 1 1 calc R . .
C17 C -0.2117(3) -0.1427(3) 0.5417(3) 0.0180(14) Uani 1 1 d . . .
C18 C -0.2424(3) -0.1246(3) 0.4744(3) 0.0185(14) Uani 1 1 d . . .
C19 C -0.2964(3) -0.1578(3) 0.4539(4) 0.0311(17) Uani 1 1 d . . .
H19A H -0.3121 -0.1917 0.4812 0.037 Uiso 1 1 calc R . .
C20 C -0.3270(3) -0.1403(4) 0.3927(4) 0.0348(18) Uani 1 1 d U . .
H20A H -0.3634 -0.1629 0.3780 0.042 Uiso 1 1 calc R . .
C21 C -0.3049(3) -0.0905(3) 0.3530(4) 0.0280(16) Uani 1 1 d . . .
C22 C -0.2509(3) -0.0586(3) 0.3744(3) 0.0239(15) Uani 1 1 d . . .
C23 C -0.2194(3) -0.0753(3) 0.4343(3) 0.0214(14) Uani 1 1 d . . .
H23A H -0.1823 -0.0533 0.4480 0.026 Uiso 1 1 calc R . .
C24 C -0.3373(3) -0.0729(3) 0.2867(3) 0.0257(16) Uani 1 1 d . A .
C25 C -0.3286(3) -0.1095(3) 0.2280(4) 0.0289(17) Uani 1 1 d . . .
C26 C -0.3600(3) -0.0936(3) 0.1658(3) 0.0258(16) Uani 1 1 d . A .
H26A H -0.3539 -0.1183 0.1251 0.031 Uiso 1 1 calc R . .
C27 C -0.4001(3) -0.0414(3) 0.1647(3) 0.0170(14) Uani 1 1 d . . .
C28 C -0.4086(3) -0.0044(3) 0.2233(3) 0.0223(15) Uani 1 1 d . A .
H28A H -0.4360 0.0311 0.2218 0.027 Uiso 1 1 calc R . .
C29 C -0.3768(3) -0.0194(3) 0.2845(3) 0.0275(16) Uani 1 1 d . . .
C30 C -0.4355(3) -0.0258(3) 0.1003(3) 0.0178(14) Uani 1 1 d . A .
C32 C -0.1788(4) 0.0251(4) 0.3506(4) 0.039(2) Uani 1 1 d . . .
H32A H -0.1704 0.0577 0.3157 0.059 Uiso 1 1 calc R . .
H32B H -0.1422 -0.0031 0.3543 0.059 Uiso 1 1 calc R . .
H32C H -0.1866 0.0452 0.3957 0.059 Uiso 1 1 calc R . .
C33 C -0.1465(3) 0.0369(3) 0.5771(4) 0.0289(17) Uani 1 1 d . . .
C34 C -0.1791(4) 0.0996(4) 0.5811(5) 0.049(2) Uani 1 1 d U . .
C35 C -0.1718(5) 0.1412(4) 0.5274(5) 0.0602(19) Uani 1 1 d . . .
H35A H -0.1479 0.1302 0.4875 0.072 Uiso 1 1 calc R . .
C36 C -0.2006(5) 0.2005(5) 0.5331(6) 0.073(2) Uani 1 1 d . . .
H36A H -0.1967 0.2291 0.4954 0.088 Uiso 1 1 calc R . .
C37 C -0.2338(5) 0.2190(4) 0.5900(5) 0.069(3) Uani 1 1 d . . .
C38 C -0.2437(5) 0.1750(5) 0.6409(6) 0.073(2) Uani 1 1 d . . .
C39 C -0.2149(5) 0.1160(4) 0.6383(5) 0.0602(19) Uani 1 1 d . . .
H39A H -0.2198 0.0870 0.6756 0.072 Uiso 1 1 calc R . .
C40 C -0.3089(6) 0.1475(5) 0.7355(6) 0.091(3) Uani 1 1 d U . .
H40A H -0.3453 0.1653 0.7601 0.137 Uiso 1 1 calc R . .
H40B H -0.2770 0.1340 0.7692 0.137 Uiso 1 1 calc R . .
H40C H -0.3226 0.1110 0.7079 0.137 Uiso 1 1 calc R . .
O17 O -0.3981(7) 0.2933(7) 0.3957(8) 0.081(3) Uani 0.50 1 d PDU . .
C41 C -0.4314(10) 0.2575(9) 0.3642(12) 0.097(4) Uani 0.50 1 d PDU . .
H41 H -0.4679 0.2757 0.3436 0.117 Uiso 0.50 1 calc PR . .
N1 N -0.4241(10) 0.1937(8) 0.3539(11) 0.110(4) Uani 0.50 1 d PDU . .
C42 C -0.4695(12) 0.1553(12) 0.3140(14) 0.114(4) Uani 0.50 1 d PDU . .
H42A H -0.4897 0.1816 0.2785 0.171 Uiso 0.50 1 calc PR . .
H42B H -0.5019 0.1385 0.3454 0.171 Uiso 0.50 1 calc PR . .
H42C H -0.4472 0.1202 0.2916 0.171 Uiso 0.50 1 calc PR . .
C43 C -0.3672(11) 0.1756(13) 0.3943(13) 0.117(4) Uani 0.50 1 d PDU . .
H43A H -0.3481 0.1379 0.3736 0.176 Uiso 0.50 1 calc PR . .
H43B H -0.3794 0.1665 0.4424 0.176 Uiso 0.50 1 calc PR . .
H43C H -0.3367 0.2104 0.3935 0.176 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O16 Dy1 O1 77.97(15) . .
O16 Dy1 O7 96.70(15) . .
O1 Dy1 O7 84.34(16) . .
O16 Dy1 O16 70.61(18) . 8_557
O1 Dy1 O16 130.74(14) . 8_557
O7 Dy1 O16 135.26(15) . 8_557
O16 Dy1 O2W 144.51(15) . .
O1 Dy1 O2W 137.42(15) . .
O7 Dy1 O2W 86.67(16) . .
O16 Dy1 O2W 82.20(14) 8_557 .
O16 Dy1 O4 104.32(14) . 4
O1 Dy1 O4 84.27(15) . 4
O7 Dy1 O4 153.39(14) . 4
O16 Dy1 O4 68.55(14) 8_557 4
O2W Dy1 O4 85.59(14) . 4
O16 Dy1 O16 69.74(17) . 2_445
O1 Dy1 O16 133.47(14) . 2_445
O7 Dy1 O16 67.69(15) . 2_445
O16 Dy1 O16 67.68(17) 8_557 2_445
O2W Dy1 O16 79.19(14) . 2_445
O4 Dy1 O16 135.11(14) 4 2_445
O16 Dy1 O8 136.57(14) . .
O1 Dy1 O8 74.09(13) . .
O7 Dy1 O8 48.41(13) . .
O16 Dy1 O8 151.04(13) 8_557 .
O2W Dy1 O8 68.98(14) . .
O4 Dy1 O8 105.20(13) 4 .
O16 Dy1 O8 108.05(13) 2_445 .
O16 Dy1 C17 116.99(16) . .
O1 Dy1 C17 78.62(16) . .
O7 Dy1 C17 23.41(15) . .
O16 Dy1 C17 149.79(15) 8_557 .
O2W Dy1 C17 76.86(16) . .
O4 Dy1 C17 130.15(16) 4 .
O16 Dy1 C17 87.01(16) 2_445 .
O8 Dy1 C17 25.00(14) . .
O16 Dy1 Dy1 35.23(11) . 7_557
O1 Dy1 Dy1 96.82(10) . 7_557
O7 Dy1 Dy1 128.36(11) . 7_557
O16 Dy1 Dy1 38.71(10) 8_557 7_557
O2W Dy1 Dy1 120.80(10) . 7_557
O4 Dy1 Dy1 76.93(10) 4 7_557
O16 Dy1 Dy1 75.40(10) 2_445 7_557
O8 Dy1 Dy1 170.22(9) . 7_557
C17 Dy1 Dy1 151.03(12) . 7_557
O16 Dy1 Dy1 77.05(11) . 8_557
O1 Dy1 Dy1 154.80(10) . 8_557
O7 Dy1 Dy1 101.85(11) . 8_557
O16 Dy1 Dy1 34.28(10) 8_557 8_557
O2W Dy1 Dy1 67.72(10) . 8_557
O4 Dy1 Dy1 98.67(10) 4 8_557
O16 Dy1 Dy1 36.55(10) 2_445 8_557
O8 Dy1 Dy1 128.07(9) . 8_557
C17 Dy1 Dy1 116.13(12) . 8_557
Dy1 Dy1 Dy1 60.066(9) 7_557 8_557
O16 Dy1 Dy1 38.24(10) . 2_445
O1 Dy1 Dy1 101.06(10) . 2_445
O7 Dy1 Dy1 69.12(10) . 2_445
O16 Dy1 Dy1 76.44(10) 8_557 2_445
O2W Dy1 Dy1 114.24(11) . 2_445
O4 Dy1 Dy1 136.87(10) 4 2_445
O16 Dy1 Dy1 35.14(9) 2_445 2_445
O8 Dy1 Dy1 117.49(8) . 2_445
C17 Dy1 Dy1 92.52(12) . 2_445
Dy1 Dy1 Dy1 59.966(5) 7_557 2_445
Dy1 Dy1 Dy1 59.965(4) 8_557 2_445
O9 Dy2 O3 157.62(17) 7_556 4
O9 Dy2 O8 88.28(16) 7_556 .
O3 Dy2 O8 87.91(15) 4 .
O9 Dy2 O10 108.56(17) 7_556 3
O3 Dy2 O10 86.66(16) 4 3
O8 Dy2 O10 145.19(17) . 3
O9 Dy2 O2 78.41(17) 7_556 .
O3 Dy2 O2 79.35(16) 4 .
O8 Dy2 O2 73.78(15) . .
O10 Dy2 O2 138.28(17) 3 .
O9 Dy2 O1W 83.39(16) 7_556 .
O3 Dy2 O1W 86.46(15) 4 .
O8 Dy2 O1W 142.98(15) . .
O10 Dy2 O1W 70.86(16) 3 .
O2 Dy2 O1W 69.22(15) . .
O9 Dy2 O13 75.07(17) 7_556 .
O3 Dy2 O13 126.26(15) 4 .
O8 Dy2 O13 83.29(15) . .
O10 Dy2 O13 72.58(16) 3 .
O2 Dy2 O13 145.24(16) . .
O1W Dy2 O13 128.34(15) . .
O9 Dy2 O14 125.56(17) 7_556 .
O3 Dy2 O14 73.87(15) 4 .
O8 Dy2 O14 72.34(15) . .
O10 Dy2 O14 73.11(16) 3 .
O2 Dy2 O14 137.08(14) . .
O1W Dy2 O14 139.67(15) . .
O13 Dy2 O14 52.92(15) . .
O9 Dy2 C33 101.4(2) 7_556 .
O3 Dy2 C33 99.50(19) 4 .
O8 Dy2 C33 78.74(17) . .
O10 Dy2 C33 68.35(18) 3 .
O2 Dy2 C33 152.51(17) . .
O1W Dy2 C33 138.27(17) . .
O13 Dy2 C33 26.81(17) . .
O14 Dy2 C33 26.31(17) . .
Dy2 O1W H1WB 120.2 . .
Dy2 O1W H1WA 133.0 . .
H1WB O1W H1WA 105.2 . .
C1 O1 Dy1 135.1(4) . .
Dy1 O2W H2WA 130.1 . .
Dy1 O2W H2WB 124.4 . .
H2WA O2W H2WB 105.2 . .
C1 O2 Dy2 146.4(4) . .
C14 O3 Dy2 162.3(4) . 3_544
C14 O4 Dy1 115.4(4) . 3_544
C9 O5 C16 116.7(5) . .
C6 O6 C15 118.5(5) . .
C17 O7 Dy1 108.5(4) . .
C17 O8 Dy2 168.3(4) . .
C17 O8 Dy1 82.0(4) . .
Dy2 O8 Dy1 107.87(15) . .
C30 O9 Dy2 149.4(4) . 8_556
C30 O10 Dy2 157.5(4) . 4_454
C29 O11 C31 117.5(7) . .
C25 O11A C31A 120.9(15) . .
O11A C31A H31D 109.5 . .
O11A C31A H31E 109.5 . .
H31D C31A H31E 109.5 . .
O11A C31A H31F 109.5 . .
H31D C31A H31F 109.5 . .
H31E C31A H31F 109.5 . .
C22 O12 C32 117.2(5) . .
C33 O13 Dy2 94.4(4) . .
C33 O14 Dy2 90.9(4) . .
C38 O15 C40 118.8(8) . .
Dy1 O16 Dy1 110.48(18) . 7_557
Dy1 O16 Dy1 106.61(16) . 2_445
Dy1 O16 Dy1 104.74(16) 7_557 2_445
Dy1 O16 H16D 100.7 . .
Dy1 O16 H16D 116.4 7_557 .
Dy1 O16 H16D 117.5 2_445 .
O2 C1 O1 124.0(6) . .
O2 C1 C2 116.4(5) . .
O1 C1 C2 119.5(5) . .
C7 C2 C3 118.6(6) . .
C7 C2 C1 119.7(6) . .
C3 C2 C1 121.5(6) . .
C4 C3 C2 119.0(6) . .
C4 C3 H3A 120.5 . .
C2 C3 H3A 120.5 . .
C3 C4 C5 122.4(6) . .
C3 C4 H4A 118.8 . .
C5 C4 H4A 118.8 . .
C4 C5 C6 117.9(6) . .
C4 C5 C8 121.9(6) . .
C6 C5 C8 120.2(6) . .
O6 C6 C7 124.7(6) . .
O6 C6 C5 114.5(5) . .
C7 C6 C5 120.7(6) . .
C6 C7 C2 121.3(6) . .
C6 C7 H7A 119.4 . .
C2 C7 H7A 119.4 . .
C13 C8 C9 118.4(6) . .
C13 C8 C5 119.6(6) . .
C9 C8 C5 121.9(6) . .
O5 C9 C10 124.3(6) . .
O5 C9 C8 115.0(6) . .
C10 C9 C8 120.6(6) . .
C9 C10 C11 120.0(6) . .
C9 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C12 C11 C10 119.8(6) . .
C12 C11 C14 119.2(6) . .
C10 C11 C14 121.0(5) . .
C11 C12 C13 119.8(6) . .
C11 C12 H12A 120.1 . .
C13 C12 H12A 120.1 . .
C12 C13 C8 121.2(6) . .
C12 C13 H13A 119.4 . .
C8 C13 H13A 119.4 . .
O3 C14 O4 119.9(6) . .
O3 C14 C11 118.6(5) . .
O4 C14 C11 121.4(5) . .
O6 C15 H15A 109.5 . .
O6 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
O6 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O5 C16 H16A 109.5 . .
O5 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O5 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O7 C17 O8 121.1(6) . .
O7 C17 C18 118.7(5) . .
O8 C17 C18 120.1(6) . .
O7 C17 Dy1 48.1(3) . .
O8 C17 Dy1 73.0(3) . .
C18 C17 Dy1 166.7(4) . .
C23 C18 C19 120.5(6) . .
C23 C18 C17 121.4(6) . .
C19 C18 C17 118.0(6) . .
C20 C19 C18 119.0(6) . .
C20 C19 H19A 120.5 . .
C18 C19 H19A 120.5 . .
C21 C20 C19 120.8(6) . .
C21 C20 H20A 119.6 . .
C19 C20 H20A 119.6 . .
C20 C21 C22 119.0(6) . .
C20 C21 C24 120.4(6) . .
C22 C21 C24 120.6(6) . .
O12 C22 C23 124.2(6) . .
O12 C22 C21 114.4(6) . .
C23 C22 C21 121.4(6) . .
C22 C23 C18 119.3(6) . .
C22 C23 H23A 120.3 . .
C18 C23 H23A 120.3 . .
C25 C24 C29 120.3(6) . .
C25 C24 C21 119.9(6) . .
C29 C24 C21 119.8(6) . .
O11A C25 C24 118.2(8) . .
O11A C25 C26 121.8(9) . .
C24 C25 C26 119.9(6) . .
C27 C26 C25 119.2(6) . .
C27 C26 H26A 120.4 . .
C25 C26 H26A 120.4 . .
C28 C27 C26 121.0(6) . .
C28 C27 C30 119.3(6) . .
C26 C27 C30 119.6(5) . .
C27 C28 C29 119.8(6) . .
C27 C28 H28A 120.1 . .
C29 C28 H28A 120.1 . .
O11 C29 C28 124.2(7) . .
O11 C29 C24 116.1(6) . .
C28 C29 C24 119.7(6) . .
O10 C30 O9 123.5(6) . .
O10 C30 C27 118.4(6) . .
O9 C30 C27 118.1(6) . .
O12 C32 H32A 109.5 . .
O12 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
O12 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O14 C33 O13 120.9(6) . .
O14 C33 C34 120.5(7) . .
O13 C33 C34 118.7(7) . .
O14 C33 Dy2 62.8(3) . .
O13 C33 Dy2 58.8(3) . .
C34 C33 Dy2 169.7(5) . .
C35 C34 C39 120.3(8) . .
C35 C34 C33 118.7(8) . .
C39 C34 C33 121.0(8) . .
C34 C35 C36 118.0(9) . .
C34 C35 H35A 121.0 . .
C36 C35 H35A 121.0 . .
C37 C36 C35 123.2(9) . .
C37 C36 H36A 118.4 . .
C35 C36 H36A 118.4 . .
C36 C37 C38 117.3(8) . .
C36 C37 C37 119.7(7) . 2_455
C38 C37 C37 122.2(8) . 2_455
O15 C38 C37 114.7(8) . .
O15 C38 C39 124.1(9) . .
C37 C38 C39 121.2(9) . .
C34 C39 C38 119.6(9) . .
C34 C39 H39A 120.2 . .
C38 C39 H39A 120.2 . .
O15 C40 H40A 109.5 . .
O15 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
O15 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O17 C41 N1 129(2) . .
O17 C41 H41 115.5 . .
N1 C41 H41 115.5 . .
C41 N1 C42 123.0(19) . .
C41 N1 C43 105.7(19) . .
C42 N1 C43 131(2) . .
N1 C42 H42A 109.5 . .
N1 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N1 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N1 C43 H43A 109.5 . .
N1 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
N1 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O16 2.295(4) .
Dy1 O1 2.322(4) .
Dy1 O7 2.324(4) .
Dy1 O16 2.351(4) 8_557
Dy1 O2W 2.364(4) .
Dy1 O4 2.452(4) 4
Dy1 O16 2.468(4) 2_445
Dy1 O8 2.860(4) .
Dy1 C17 2.961(6) .
Dy1 Dy1 3.8171(5) 7_557
Dy1 Dy1 3.8172(5) 8_557
Dy1 Dy1 3.8211(6) 2_445
Dy2 O9 2.252(5) 7_556
Dy2 O3 2.262(4) 4
Dy2 O8 2.280(4) .
Dy2 O10 2.280(4) 3
Dy2 O2 2.367(4) .
Dy2 O1W 2.397(4) .
Dy2 O13 2.437(4) .
Dy2 O14 2.529(4) .
Dy2 C33 2.842(7) .
O1W H1WB 0.8498 .
O1W H1WA 0.8499 .
O1 C1 1.270(7) .
O2W H2WA 0.8500 .
O2W H2WB 0.8500 .
O2 C1 1.253(7) .
O3 C14 1.252(7) .
O3 Dy2 2.262(4) 3_544
O4 C14 1.268(7) .
O4 Dy1 2.452(4) 3_544
O5 C9 1.372(7) .
O5 C16 1.451(8) .
O6 C6 1.358(7) .
O6 C15 1.407(8) .
O7 C17 1.240(7) .
O8 C17 1.264(7) .
O9 C30 1.244(7) .
O9 Dy2 2.252(5) 8_556
O10 C30 1.242(7) .
O10 Dy2 2.280(4) 4_454
O11 C29 1.349(9) .
O11 C31 1.438(12) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
O11A C25 1.297(16) .
O11A C31A 1.44(3) .
C31A H31D 0.9800 .
C31A H31E 0.9800 .
C31A H31F 0.9800 .
O12 C22 1.378(8) .
O12 C32 1.412(8) .
O13 C33 1.286(8) .
O14 C33 1.260(8) .
O15 C38 1.339(11) .
O15 C40 1.401(12) .
O16 Dy1 2.351(4) 7_557
O16 Dy1 2.468(4) 2_445
O16 H16D 0.8481 .
C1 C2 1.498(8) .
C2 C7 1.395(8) .
C2 C3 1.412(9) .
C3 C4 1.390(9) .
C3 H3A 0.9500 .
C4 C5 1.391(9) .
C4 H4A 0.9500 .
C5 C6 1.394(9) .
C5 C8 1.510(8) .
C6 C7 1.384(8) .
C7 H7A 0.9500 .
C8 C13 1.396(9) .
C8 C9 1.399(9) .
C9 C10 1.388(9) .
C10 C11 1.398(8) .
C10 H10A 0.9500 .
C11 C12 1.384(8) .
C11 C14 1.501(8) .
C12 C13 1.388(9) .
C12 H12A 0.9500 .
C13 H13A 0.9500 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.499(8) .
C18 C23 1.385(9) .
C18 C19 1.400(9) .
C19 C20 1.394(9) .
C19 H19A 0.9500 .
C20 C21 1.383(10) .
C20 H20A 0.9500 .
C21 C22 1.389(9) .
C21 C24 1.497(9) .
C22 C23 1.380(9) .
C23 H23A 0.9500 .
C24 C25 1.382(9) .
C24 C29 1.408(10) .
C25 C26 1.411(9) .
C26 C27 1.394(9) .
C26 H26A 0.9500 .
C27 C28 1.385(8) .
C27 C30 1.487(8) .
C28 C29 1.394(9) .
C28 H28A 0.9500 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.497(10) .
C34 C35 1.366(11) .
C34 C39 1.381(11) .
C35 C36 1.398(11) .
C35 H35A 0.9500 .
C36 C37 1.360(12) .
C36 H36A 0.9500 .
C37 C38 1.370(13) .
C37 C37 1.479(16) 2_455
C38 C39 1.391(11) .
C39 H39A 0.9500 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
O17 C41 1.202(10) .
C41 N1 1.372(10) .
C41 H41 0.9500 .
N1 C42 1.475(10) .
N1 C43 1.485(10) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
