#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:33:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179506 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/03/4340364.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_4340364
loop_
_publ_author_name
'Joarder, Biplab'
'Mukherjee, Soumya'
'Xue, Shufang'
'Tang, Jinkui'
'Ghosh, Sujit K.'
_publ_section_title
;
 Structures and magnetic properties of two analogous dy6 wheels with
 electron-donation and -withdrawal effects.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7554
_journal_page_last               7560
_journal_paper_doi               10.1021/ic500875m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C98 H98 Dy6 N12 O62'
_chemical_formula_sum            'C98 H98 Dy6 N12 O62'
_chemical_formula_weight         3410.88
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.975(3)
_cell_angle_beta                 100.420(3)
_cell_angle_gamma                100.367(3)
_cell_formula_units_Z            1
_cell_length_a                   11.0686(18)
_cell_length_b                   17.344(3)
_cell_length_c                   19.330(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3199.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.1005
_diffrn_reflns_av_sigmaI/netI    0.1565
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            50463
_diffrn_reflns_theta_full        28.49
_diffrn_reflns_theta_max         28.49
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    3.558
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1662
_refine_diff_density_max         10.080
_refine_diff_density_min         -3.020
_refine_diff_density_rms         0.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     777
_refine_ls_number_reflns         15631
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1954
_refine_ls_R_factor_gt           0.0807
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1517P)²+16.7196P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2195
_refine_ls_wR_factor_ref         0.2963
_reflns_number_gt                7389
_reflns_number_total             15631
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic500875m_si_003.cif
_cod_data_source_block           Compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340363--4340364.cif.
;
_cod_original_cell_volume        3199.3(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340364
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.9718(15) 0.2847(10) 0.1675(9) 0.037(4) Uani 1 1 d .
C2 C 0.9187(16) 0.2974(10) 0.2306(9) 0.043(4) Uani 1 1 d .
C3 C 0.8650(19) 0.3639(13) 0.2607(11) 0.060(5) Uani 1 1 d .
H3 H 0.8272 0.3692 0.3011 0.072 Uiso 1 1 calc R
C4 C 0.8677(18) 0.4245(12) 0.2297(11) 0.057(5) Uani 1 1 d .
H4 H 0.8328 0.4710 0.2505 0.068 Uiso 1 1 calc R
C5 C 0.9213(18) 0.4161(12) 0.1686(11) 0.057(5) Uani 1 1 d .
H5 H 0.9255 0.4574 0.1493 0.068 Uiso 1 1 calc R
C6 C 0.9686(17) 0.3446(11) 0.1369(9) 0.048(4) Uani 1 1 d .
C7 C 1.023(2) 0.3843(15) 0.0388(12) 0.068(6) Uani 1 1 d .
H7A H 1.0707 0.3709 0.0009 0.101 Uiso 1 1 calc R
H7B H 1.0554 0.4454 0.0763 0.101 Uiso 1 1 calc R
H7C H 0.9342 0.3721 0.0122 0.101 Uiso 1 1 calc R
C8 C 0.847(3) 0.2245(17) 0.3021(16) 0.095(8) Uani 1 1 d .
H8A H 0.8614 0.1811 0.3189 0.142 Uiso 1 1 calc R
H8B H 0.7601 0.2057 0.2697 0.142 Uiso 1 1 calc R
H8C H 0.8606 0.2795 0.3476 0.142 Uiso 1 1 calc R
C9 C 1.2399(16) 0.3589(10) 0.2635(11) 0.047(4) Uani 1 1 d .
C10 C 1.2295(16) 0.4481(11) 0.3174(10) 0.047(4) Uani 1 1 d .
C11 C 1.2166(17) 0.5085(12) 0.2902(12) 0.052(4) Uani 1 1 d .
H11 H 1.2162 0.4951 0.2384 0.063 Uiso 1 1 calc R
C12 C 1.204(2) 0.5865(13) 0.3372(16) 0.073(6) Uani 1 1 d .
C13 C 1.224(3) 0.6148(15) 0.4166(17) 0.096(8) Uani 1 1 d .
H13 H 1.2287 0.6724 0.4503 0.116 Uiso 1 1 calc R
C14 C 1.237(4) 0.5541(19) 0.4441(16) 0.123(12) Uani 1 1 d .
C15 C 1.238(3) 0.4698(15) 0.3971(12) 0.084(8) Uani 1 1 d .
H15 H 1.2434 0.4294 0.4167 0.101 Uiso 1 1 calc R
C16 C 1.2046(16) 0.0018(11) 0.2459(8) 0.041(4) Uani 1 1 d .
C17 C 1.3222(16) 0.0705(12) 0.2921(10) 0.048(4) Uani 1 1 d .
C18 C 1.4128(19) -0.0303(14) 0.3294(11) 0.062(5) Uani 1 1 d .
H18 H 1.4815 -0.0402 0.3568 0.074 Uiso 1 1 calc R
C19 C 1.3028(19) -0.0941(13) 0.2871(11) 0.057(5) Uani 1 1 d .
H19 H 1.2946 -0.1489 0.2860 0.069 Uiso 1 1 calc R
C20 C 1.1980(17) -0.0797(11) 0.2438(9) 0.045(4) Uani 1 1 d .
C21 C 1.435(2) 0.2159(15) 0.3248(13) 0.081(7) Uani 1 1 d .
H21A H 1.4224 0.2661 0.3180 0.122 Uiso 1 1 calc R
H21B H 1.5008 0.1969 0.3017 0.122 Uiso 1 1 calc R
H21C H 1.4603 0.2317 0.3800 0.122 Uiso 1 1 calc R
C22 C 1.077(2) -0.2306(12) 0.1856(14) 0.082(7) Uani 1 1 d .
H22A H 0.9935 -0.2685 0.1522 0.123 Uiso 1 1 calc R
H22B H 1.0910 -0.2318 0.2356 0.123 Uiso 1 1 calc R
H22C H 1.1407 -0.2505 0.1610 0.123 Uiso 1 1 calc R
C23 C 0.9761(17) -0.0235(13) 0.3421(10) 0.047(4) Uani 1 1 d .
C24 C 0.990(2) -0.0887(14) 0.3742(10) 0.058(5) Uani 1 1 d .
C25 C 0.909(2) -0.1697(14) 0.3374(11) 0.061(5) Uani 1 1 d .
H25 H 0.8465 -0.1857 0.2912 0.073 Uiso 1 1 calc R
C26 C 0.917(2) -0.2315(14) 0.3663(12) 0.075(6) Uani 1 1 d .
C27 C 1.013(3) -0.2089(17) 0.4352(14) 0.082(8) Uani 1 1 d .
H27 H 1.0221 -0.2489 0.4549 0.098 Uiso 1 1 calc R
C28 C 1.093(2) -0.1228(16) 0.4726(10) 0.066(6) Uani 1 1 d .
C29 C 1.084(2) -0.0625(16) 0.4440(11) 0.071(6) Uani 1 1 d .
H29 H 1.1386 -0.0058 0.4707 0.086 Uiso 1 1 calc R
C30 C 0.7269(14) -0.2943(10) 0.0510(10) 0.039(4) Uani 1 1 d .
C31 C 0.6016(19) -0.3370(12) 0.0583(12) 0.054(5) Uani 1 1 d .
C32 C 0.4994(18) -0.3996(13) -0.0096(13) 0.057(5) Uani 1 1 d .
H32 H 0.5087 -0.4158 -0.0600 0.069 Uiso 1 1 calc R
C33 C 0.385(2) -0.4362(15) 0.0011(17) 0.076(7) Uani 1 1 d .
C34 C 0.372(3) -0.4137(18) 0.0769(19) 0.095(9) Uani 1 1 d .
H34 H 0.2962 -0.4387 0.0839 0.114 Uiso 1 1 calc R
C35 C 0.469(3) -0.356(2) 0.1385(18) 0.091(8) Uani 1 1 d .
C36 C 0.584(2) -0.3130(14) 0.1335(12) 0.075(6) Uani 1 1 d .
H36 H 0.6467 -0.2698 0.1785 0.091 Uiso 1 1 calc R
C37 C 0.6178(16) -0.1635(10) 0.0228(9) 0.041(4) Uani 1 1 d .
C38 C 0.5790(16) -0.1335(11) 0.0916(10) 0.045(4) Uani 1 1 d .
C39 C 0.454(2) -0.1585(13) 0.0929(13) 0.065(6) Uani 1 1 d .
H39 H 0.4317 -0.1391 0.1401 0.078 Uiso 1 1 calc R
C40 C 0.360(2) -0.2154(13) 0.0190(13) 0.068(6) Uani 1 1 d .
H40 H 0.2738 -0.2307 0.0167 0.082 Uiso 1 1 calc R
C41 C 0.3989(17) -0.2479(12) -0.0501(12) 0.054(5) Uani 1 1 d .
H41 H 0.3393 -0.2864 -0.0983 0.065 Uiso 1 1 calc R
C42 C 0.5271(17) -0.2220(11) -0.0454(9) 0.045(4) Uani 1 1 d .
C43 C 0.645(2) -0.0374(15) 0.2316(11) 0.076(7) Uani 1 1 d .
H43A H 0.7213 -0.0025 0.2748 0.114 Uiso 1 1 calc R
H43B H 0.5975 -0.0813 0.2421 0.114 Uiso 1 1 calc R
H43C H 0.5939 -0.0003 0.2256 0.114 Uiso 1 1 calc R
C44 C 0.4793(19) -0.3131(17) -0.1862(12) 0.087(8) Uani 1 1 d .
H44A H 0.5225 -0.3297 -0.2266 0.130 Uiso 1 1 calc R
H44B H 0.4179 -0.2845 -0.1984 0.130 Uiso 1 1 calc R
H44C H 0.4362 -0.3647 -0.1836 0.130 Uiso 1 1 calc R
C45 C 1.4208(18) 0.0519(15) 0.3308(10) 0.066(6) Uani 1 1 d .
H45 H 1.4972 0.0963 0.3596 0.079 Uiso 1 1 calc R
C46 C 1.107(2) -0.1177(17) 0.0409(14) 0.095(8) Uani 1 1 d .
H46A H 1.1566 -0.0814 0.0949 0.142 Uiso 1 1 calc R
H46B H 1.1175 -0.0855 0.0111 0.142 Uiso 1 1 calc R
H46C H 1.1352 -0.1694 0.0192 0.142 Uiso 1 1 calc R
C47 C 1.148(8) 0.252(4) 0.424(3) 0.36(4) Uiso 1 1 d D
C49 C 1.269(7) 0.073(5) 0.098(5) 0.37(4) Uiso 1 1 d DU
Dy1 Dy 1.09324(8) 0.15137(5) 0.21623(4) 0.0406(2) Uani 1 1 d .
Dy2 Dy 0.90483(8) -0.08481(5) 0.14403(4) 0.0407(2) Uani 1 1 d .
Dy3 Dy 0.82139(8) -0.22679(5) -0.07242(4) 0.0400(2) Uani 1 1 d .
N1 N 1.187(2) 0.6515(15) 0.3088(17) 0.092(7) Uani 1 1 d .
N2 N 1.199(2) -0.0987(19) 0.5436(11) 0.089(7) Uani 1 1 d .
N3 N 0.830(4) -0.3195(14) 0.3276(15) 0.137(12) Uani 1 1 d .
N4 N 0.280(2) -0.5032(16) -0.075(2) 0.113(9) Uani 1 1 d .
N5 N 0.450(4) -0.327(3) 0.219(3) 0.187(18) Uani 1 1 d U
O1 O 0.9312(11) 0.2352(7) 0.2588(6) 0.048(3) Uani 1 1 d .
O2 O 1.0260(11) 0.2207(6) 0.1406(6) 0.043(3) Uani 1 1 d .
O3 O 1.0335(11) 0.3323(7) 0.0786(6) 0.047(3) Uani 1 1 d .
O4 O 1.2620(11) 0.3496(7) 0.2007(6) 0.049(3) Uani 1 1 d .
O5 O 1.2180(11) 0.2999(7) 0.2863(6) 0.047(3) Uani 1 1 d .
O6 O 1.144(3) 0.6215(14) 0.2380(16) 0.152(10) Uani 1 1 d .
O7 O 1.212(2) 0.7287(12) 0.3528(14) 0.126(8) Uani 1 1 d .
O9 O 1.3193(11) 0.1468(8) 0.2872(6) 0.050(3) Uani 1 1 d .
O10 O 1.1060(10) 0.0165(7) 0.2068(6) 0.040(2) Uani 1 1 d .
O11 O 1.0846(13) -0.1438(8) 0.1973(7) 0.057(3) Uani 1 1 d .
O12 O 0.9041(10) 0.0503(7) 0.1546(6) 0.040(2) Uani 1 1 d .
O13 O 1.1964(11) 0.1329(7) 0.1244(6) 0.042(2) Uiso 1 1 d DU
O14 O 0.9120(12) -0.0519(8) 0.2732(6) 0.057(3) Uani 1 1 d .
O15 O 1.0340(14) 0.0528(9) 0.3880(7) 0.068(4) Uani 1 1 d .
O16 O 0.732(3) -0.3328(14) 0.2760(16) 0.187(14) Uani 1 1 d .
O17 O 0.854(3) -0.3707(14) 0.3511(14) 0.159(10) Uani 1 1 d .
O18 O 1.213(2) -0.1589(16) 0.5621(11) 0.128(8) Uani 1 1 d .
O19 O 1.2648(18) -0.0252(16) 0.5769(11) 0.110(7) Uani 1 1 d .
O20 O 0.7363(11) -0.3175(7) -0.0178(7) 0.051(3) Uani 1 1 d .
O21 O 0.8028(11) -0.2331(7) 0.1116(7) 0.049(3) Uani 1 1 d .
O22 O 0.299(2) -0.5163(14) -0.1378(14) 0.125(8) Uani 1 1 d .
O23 O 0.182(2) -0.5321(16) -0.0612(16) 0.147(10) Uani 1 1 d .
O24 O 0.6809(12) -0.0800(8) 0.1594(6) 0.052(3) Uani 1 1 d .
O25 O 0.7416(9) -0.1390(6) 0.0263(6) 0.036(2) Uani 1 1 d .
O26 O 0.5723(10) -0.2532(7) -0.1106(6) 0.044(3) Uani 1 1 d .
O27 O 0.9793(10) -0.1420(7) 0.0375(6) 0.046(3) Uani 1 1 d .
O28 O 1.0936(13) 0.1765(8) 0.3452(7) 0.055(3) Uani 1 1 d D
O29 O 0.398(3) -0.384(3) 0.231(2) 0.30(2) Uani 1 1 d .
O30 O 0.509(4) -0.250(2) 0.2673(18) 0.179(15) Uani 1 1 d U
O31 O 1.147(5) 0.496(3) 0.529(2) 0.30(2) Uani 1 1 d U
C48 C 0.791(5) 0.062(4) 0.113(3) 0.25(3) Uani 1 1 d U
H48A H 0.7212 0.0097 0.0906 0.374 Uiso 1 1 calc R
H48B H 0.8094 0.0748 0.0710 0.374 Uiso 1 1 calc R
H48C H 0.7675 0.1105 0.1488 0.374 Uiso 1 1 calc R
O32A O 1.283(3) 0.649(2) 0.574(2) 0.199(13) Uiso 1 1 d .
N6A N 1.266(6) 0.571(5) 0.534(4) 0.29(3) Uiso 1 1 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'
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
O2 C1 C6 122.0(13) . .
O2 C1 C2 121.2(13) . .
C6 C1 C2 116.7(14) . .
C3 C2 C1 122.5(15) . .
C3 C2 O1 125.4(14) . .
C1 C2 O1 112.0(13) . .
C2 C3 C4 118.7(16) . .
C5 C4 C3 121.0(17) . .
C4 C5 C6 118.3(16) . .
C5 C6 C1 122.6(14) . .
C5 C6 O3 123.6(14) . .
C1 C6 O3 113.3(14) . .
O4 C9 O5 126.8(16) . .
O4 C9 C10 117.2(14) . .
O5 C9 C10 115.9(14) . .
C11 C10 C15 120.0(17) . .
C11 C10 C9 120.7(15) . .
C15 C10 C9 119.3(16) . .
C12 C11 C10 120.7(19) . .
C11 C12 C13 122(2) . .
C11 C12 N1 122(2) . .
C13 C12 N1 116(2) . .
C12 C13 C14 117(2) . .
C15 C14 C13 124(2) . .
C15 C14 N6A 109(3) . .
C13 C14 N6A 127(3) . .
C14 C15 C10 116(2) . .
O10 C16 C20 121.7(15) . .
O10 C16 C17 121.0(15) . .
C20 C16 C17 117.4(16) . .
C45 C17 O9 129.1(17) . .
C45 C17 C16 118.7(18) . .
O9 C17 C16 112.1(15) . .
C19 C18 C45 117.7(19) . .
C18 C19 C20 121.4(18) . .
C16 C20 O11 115.1(15) . .
C16 C20 C19 121.2(17) . .
O11 C20 C19 123.7(16) . .
O15 C23 O14 126.9(17) . .
O15 C23 C24 115.0(16) . .
O14 C23 C24 118.1(17) . .
C25 C24 C29 120.3(18) . .
C25 C24 C23 120.2(18) . .
C29 C24 C23 119.4(19) . .
C24 C25 C26 122.0(19) . .
C27 C26 C25 120(2) . .
C27 C26 N3 117(2) . .
C25 C26 N3 123(2) . .
C26 C27 C28 116.2(19) . .
C29 C28 C27 124(2) . .
C29 C28 N2 119(2) . .
C27 C28 N2 117(2) . .
C28 C29 C24 118(2) . .
O21 C30 O20 126.2(14) . .
O21 C30 C31 117.0(14) . .
O20 C30 C31 116.1(15) . .
C36 C31 C32 119.2(17) . .
C36 C31 C30 119.0(19) . .
C32 C31 C30 121.8(16) . .
C33 C32 C31 119(2) . .
C34 C33 C32 121(3) . .
C34 C33 N4 124(2) . .
C32 C33 N4 116(2) . .
C35 C34 C33 119(2) . .
C34 C35 C36 124(2) . .
C34 C35 N5 119(3) . .
C36 C35 N5 116(3) . .
C31 C36 C35 118(2) . .
O25 C37 C42 122.4(13) . .
O25 C37 C38 120.2(15) . .
C42 C37 C38 117.3(15) . .
C39 C38 C37 123.4(17) . .
C39 C38 O24 123.5(15) . .
C37 C38 O24 113.0(14) . .
C38 C39 C40 117.3(17) . .
C41 C40 C39 119.4(18) . .
C42 C41 C40 119.2(18) . .
C37 C42 C41 123.1(16) . .
C37 C42 O26 114.7(15) . .
C41 C42 O26 122.2(16) . .
C17 C45 C18 123.7(18) . .
O13 Dy1 O12 105.4(4) . .
O13 Dy1 O10 88.9(4) . .
O12 Dy1 O10 68.4(4) . .
O13 Dy1 O2 69.7(4) . .
O12 Dy1 O2 87.4(4) . .
O10 Dy1 O2 142.5(4) . .
O13 Dy1 O28 149.9(4) . .
O12 Dy1 O28 97.1(4) . .
O10 Dy1 O28 80.9(4) . .
O2 Dy1 O28 132.1(4) . .
O13 Dy1 O5 89.0(4) . .
O12 Dy1 O5 150.8(4) . .
O10 Dy1 O5 138.4(4) . .
O2 Dy1 O5 73.7(4) . .
O28 Dy1 O5 80.4(4) . .
O13 Dy1 O1 134.3(4) . .
O12 Dy1 O1 75.5(4) . .
O10 Dy1 O1 130.1(3) . .
O2 Dy1 O1 64.7(3) . .
O28 Dy1 O1 70.4(4) . .
O5 Dy1 O1 76.3(4) . .
O13 Dy1 O9 77.8(4) . .
O12 Dy1 O9 132.2(4) . .
O10 Dy1 O9 63.9(4) . .
O2 Dy1 O9 134.7(4) . .
O28 Dy1 O9 72.2(4) . .
O5 Dy1 O9 75.1(4) . .
O1 Dy1 O9 135.9(4) . .
O13 Dy1 Dy3 34.2(3) . 2_755
O12 Dy1 Dy3 106.6(3) . 2_755
O10 Dy1 Dy3 121.7(2) . 2_755
O2 Dy1 Dy3 37.4(3) . 2_755
O28 Dy1 Dy3 151.8(3) . 2_755
O5 Dy1 Dy3 71.4(3) . 2_755
O1 Dy1 Dy3 100.6(2) . 2_755
O9 Dy1 Dy3 101.2(2) . 2_755
O13 Dy1 Dy2 99.5(3) . .
O12 Dy1 Dy2 33.1(3) . .
O10 Dy1 Dy2 35.4(3) . .
O2 Dy1 Dy2 116.2(3) . .
O28 Dy1 Dy2 88.5(3) . .
O5 Dy1 Dy2 168.6(3) . .
O1 Dy1 Dy2 102.5(2) . .
O9 Dy1 Dy2 99.2(2) . .
Dy3 Dy1 Dy2 119.69(2) 2_755 .
O27 Dy2 O12 102.2(4) . .
O27 Dy2 O14 150.8(4) . .
O12 Dy2 O14 96.7(4) . .
O27 Dy2 O10 86.3(4) . .
O12 Dy2 O10 67.4(4) . .
O14 Dy2 O10 80.7(4) . .
O27 Dy2 O25 69.0(4) . .
O12 Dy2 O25 85.5(4) . .
O14 Dy2 O25 135.2(4) . .
O10 Dy2 O25 138.7(3) . .
O27 Dy2 O21 86.2(4) . .
O12 Dy2 O21 153.1(4) . .
O14 Dy2 O21 86.8(4) . .
O10 Dy2 O21 139.2(4) . .
O25 Dy2 O21 73.7(4) . .
O27 Dy2 O24 133.1(4) . .
O12 Dy2 O24 78.9(4) . .
O14 Dy2 O24 72.2(4) . .
O10 Dy2 O24 133.4(4) . .
O25 Dy2 O24 64.4(3) . .
O21 Dy2 O24 76.9(4) . .
O27 Dy2 O11 78.5(4) . .
O12 Dy2 O11 132.2(4) . .
O14 Dy2 O11 72.3(4) . .
O10 Dy2 O11 65.0(4) . .
O25 Dy2 O11 135.2(4) . .
O21 Dy2 O11 74.2(4) . .
O24 Dy2 O11 134.9(4) . .
O27 Dy2 Dy3 33.6(3) . .
O12 Dy2 Dy3 103.8(3) . .
O14 Dy2 Dy3 156.2(3) . .
O10 Dy2 Dy3 118.3(2) . .
O25 Dy2 Dy3 37.4(2) . .
O21 Dy2 Dy3 69.4(3) . .
O24 Dy2 Dy3 99.9(2) . .
O11 Dy2 Dy3 101.5(3) . .
O27 Dy2 Dy1 96.0(3) . .
O12 Dy2 Dy1 32.4(3) . .
O14 Dy2 Dy1 88.2(3) . .
O10 Dy2 Dy1 35.0(3) . .
O25 Dy2 Dy1 113.1(2) . .
O21 Dy2 Dy1 173.2(3) . .
O24 Dy2 Dy1 105.9(3) . .
O11 Dy2 Dy1 99.9(3) . .
Dy3 Dy2 Dy1 115.59(2) . .
O27 Dy3 O13 101.0(4) . 2_755
O27 Dy3 O2 86.8(4) . 2_755
O13 Dy3 O2 69.4(4) 2_755 2_755
O27 Dy3 O25 69.9(4) . .
O13 Dy3 O25 86.6(3) 2_755 .
O2 Dy3 O25 142.8(3) 2_755 .
O27 Dy3 O20 92.3(4) . .
O13 Dy3 O20 151.2(4) 2_755 .
O2 Dy3 O20 137.4(4) 2_755 .
O25 Dy3 O20 74.1(3) . .
O27 Dy3 O4 151.1(4) . 2_755
O13 Dy3 O4 90.9(4) 2_755 2_755
O2 Dy3 O4 72.8(4) 2_755 2_755
O25 Dy3 O4 137.7(4) . 2_755
O20 Dy3 O4 89.4(4) . 2_755
O27 Dy3 O26 134.1(4) . .
O13 Dy3 O26 79.3(4) 2_755 .
O2 Dy3 O26 133.1(4) 2_755 .
O25 Dy3 O26 64.4(3) . .
O20 Dy3 O26 73.2(4) . .
O4 Dy3 O26 73.7(4) 2_755 .
O27 Dy3 O3 79.3(4) . 2_755
O13 Dy3 O3 133.8(3) 2_755 2_755
O2 Dy3 O3 64.4(3) 2_755 2_755
O25 Dy3 O3 133.7(3) . 2_755
O20 Dy3 O3 73.6(3) . 2_755
O4 Dy3 O3 73.6(4) 2_755 2_755
O26 Dy3 O3 132.9(3) . 2_755
O27 Dy3 Dy1 103.7(3) . 2_755
O13 Dy3 Dy1 33.8(3) 2_755 2_755
O2 Dy3 Dy1 37.6(3) 2_755 2_755
O25 Dy3 Dy1 119.4(2) . 2_755
O20 Dy3 Dy1 161.8(3) . 2_755
O4 Dy3 Dy1 72.4(2) 2_755 2_755
O26 Dy3 Dy1 100.7(2) . 2_755
O3 Dy3 Dy1 100.6(2) 2_755 2_755
O27 Dy3 Dy2 34.5(3) . .
O13 Dy3 Dy2 103.9(3) 2_755 .
O2 Dy3 Dy2 120.3(3) 2_755 .
O25 Dy3 Dy2 37.4(3) . .
O20 Dy3 Dy2 73.5(3) . .
O4 Dy3 Dy2 162.9(2) 2_755 .
O26 Dy3 Dy2 100.2(2) . .
O3 Dy3 Dy2 101.2(2) 2_755 .
Dy1 Dy3 Dy2 124.71(3) 2_755 .
O7 N1 O6 123(2) . .
O7 N1 C12 122(3) . .
O6 N1 C12 115(2) . .
O19 N2 O18 125(2) . .
O19 N2 C28 118(2) . .
O18 N2 C28 117(2) . .
O17 N3 O16 126(3) . .
O17 N3 C26 118(3) . .
O16 N3 C26 116(2) . .
O22 N4 O23 129(3) . .
O22 N4 C33 118(2) . .
O23 N4 C33 112(3) . .
O29 N5 O30 128(4) . .
O29 N5 C35 115(4) . .
O30 N5 C35 116(3) . .
C8 O1 C2 114.9(14) . .
C8 O1 Dy1 129.4(12) . .
C2 O1 Dy1 115.6(8) . .
C1 O2 Dy3 122.0(8) . 2_755
C1 O2 Dy1 121.5(9) . .
Dy3 O2 Dy1 105.0(4) 2_755 .
C6 O3 C7 116.5(13) . .
C6 O3 Dy3 113.5(9) . 2_755
C7 O3 Dy3 129.6(10) . 2_755
C9 O4 Dy3 129.9(10) . 2_755
C9 O5 Dy1 130.6(11) . .
C17 O9 C21 116.3(16) . .
C17 O9 Dy1 116.1(10) . .
C21 O9 Dy1 127.5(13) . .
C16 O10 Dy1 125.7(10) . .
C16 O10 Dy2 123.2(10) . .
Dy1 O10 Dy2 109.6(4) . .
C20 O11 C22 117.9(14) . .
C20 O11 Dy2 113.9(10) . .
C22 O11 Dy2 128.1(11) . .
C48 O12 Dy1 125(2) . .
C48 O12 Dy2 120(2) . .
Dy1 O12 Dy2 114.5(5) . .
C49 O13 Dy1 129(4) . .
C49 O13 Dy3 119(4) . 2_755
Dy1 O13 Dy3 112.0(4) . 2_755
C23 O14 Dy2 148.9(11) . .
C30 O20 Dy3 127.9(10) . .
C30 O21 Dy2 132.4(11) . .
C38 O24 C43 115.6(14) . .
C38 O24 Dy2 115.8(9) . .
C43 O24 Dy2 128.1(11) . .
C37 O25 Dy3 120.2(9) . .
C37 O25 Dy2 121.8(8) . .
Dy3 O25 Dy2 105.2(4) . .
C42 O26 C44 117.5(13) . .
C42 O26 Dy3 112.6(10) . .
C44 O26 Dy3 127.9(10) . .
C46 O27 Dy3 124.9(12) . .
C46 O27 Dy2 122.8(11) . .
Dy3 O27 Dy2 111.9(4) . .
C47 O28 Dy1 135(4) . .
O31 N6A C14 102(5) . .
O31 N6A O32A 122(6) . .
C14 N6A O32A 107(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.322(18) .
C1 C6 1.39(2) .
C1 C2 1.40(2) .
C2 C3 1.36(2) .
C2 O1 1.409(19) .
C3 C4 1.40(3) .
C4 C5 1.38(2) .
C5 C6 1.38(2) .
C6 O3 1.409(18) .
C7 O3 1.411(19) .
C8 O1 1.40(2) .
C9 O4 1.234(19) .
C9 O5 1.271(18) .
C9 C10 1.51(2) .
C10 C11 1.37(2) .
C10 C15 1.41(2) .
C11 C12 1.34(3) .
C12 C13 1.37(3) .
C12 N1 1.47(3) .
C13 C14 1.38(4) .
C14 C15 1.38(3) .
C14 N6A 1.60(7) .
C16 O10 1.335(19) .
C16 C20 1.38(2) .
C16 C17 1.44(2) .
C17 C45 1.37(3) .
C17 O9 1.37(2) .
C18 C19 1.34(3) .
C18 C45 1.40(3) .
C19 C20 1.43(2) .
C20 O11 1.38(2) .
C21 O9 1.42(2) .
C22 O11 1.41(2) .
C23 O15 1.22(2) .
C23 O14 1.232(19) .
C23 C24 1.51(2) .
C24 C25 1.33(3) .
C24 C29 1.39(3) .
C25 C26 1.40(3) .
C26 C27 1.40(3) .
C26 N3 1.45(3) .
C27 C28 1.40(3) .
C28 C29 1.38(3) .
C28 N2 1.49(3) .
C30 O21 1.232(18) .
C30 O20 1.253(18) .
C30 C31 1.51(2) .
C31 C36 1.40(2) .
C31 C32 1.43(3) .
C32 C33 1.40(3) .
C33 C34 1.40(3) .
C33 N4 1.54(4) .
C34 C35 1.32(4) .
C35 C36 1.40(3) .
C35 N5 1.50(4) .
C37 O25 1.341(18) .
C37 C42 1.36(2) .
C37 C38 1.40(2) .
C38 C39 1.38(2) .
C38 O24 1.40(2) .
C39 C40 1.43(3) .
C40 C41 1.40(3) .
C41 C42 1.38(2) .
C42 O26 1.379(18) .
C43 O24 1.454(18) .
C44 O26 1.45(2) .
C46 O27 1.38(3) .
C47 O28 1.47(2) .
C49 O13 1.42(2) .
Dy1 O13 2.226(10) .
Dy1 O12 2.226(10) .
Dy1 O10 2.304(10) .
Dy1 O2 2.344(11) .
Dy1 O28 2.349(11) .
Dy1 O5 2.363(10) .
Dy1 O1 2.551(11) .
Dy1 O9 2.658(12) .
Dy1 Dy3 3.7138(10) 2_755
Dy1 Dy2 3.7819(12) .
Dy2 O27 2.269(10) .
Dy2 O12 2.269(10) .
Dy2 O14 2.307(10) .
Dy2 O10 2.324(11) .
Dy2 O25 2.343(10) .
Dy2 O21 2.381(10) .
Dy2 O24 2.561(12) .
Dy2 O11 2.629(12) .
Dy2 Dy3 3.7193(11) .
Dy3 O27 2.220(11) .
Dy3 O13 2.254(10) 2_755
Dy3 O2 2.336(10) 2_755
Dy3 O25 2.339(10) .
Dy3 O20 2.378(10) .
Dy3 O4 2.389(11) 2_755
Dy3 O26 2.625(11) .
Dy3 O3 2.625(12) 2_755
Dy3 Dy1 3.7138(10) 2_755
N1 O7 1.20(3) .
N1 O6 1.21(3) .
N2 O19 1.18(3) .
N2 O18 1.26(3) .
N3 O17 1.20(3) .
N3 O16 1.25(4) .
N4 O22 1.21(3) .
N4 O23 1.22(3) .
N5 O29 1.18(4) .
N5 O30 1.23(4) .
O2 Dy3 2.336(10) 2_755
O3 Dy3 2.625(12) 2_755
O4 Dy3 2.389(11) 2_755
O12 C48 1.46(6) .
O13 Dy3 2.254(10) 2_755
O31 N6A 1.63(7) .
O32A N6A 1.21(6) .
