#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/33/4343398.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_4343398
loop_
_publ_author_name
'Hu, Fa-Lu'
'Jiang, Fei-Long'
'Zheng, Jun'
'Wu, Ming-Yan'
'Pang, Jian-Dong'
'Hong, Mao-Chun'
_publ_section_title
;
 Magnetic Properties of 3D Heptanuclear Lanthanide Frameworks Supported by
 Mixed Ligands.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6081
_journal_page_last               6083
_journal_paper_doi               10.1021/acs.inorgchem.5b00917
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C88 H71 Dy7 N3 O39.5'
_chemical_formula_weight         2939.97
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                99.592(14)
_cell_angle_beta                 105.655(10)
_cell_angle_gamma                112.612(10)
_cell_formula_units_Z            2
_cell_length_a                   14.0564(5)
_cell_length_b                   17.1977(7)
_cell_length_c                   22.2180(9)
_cell_measurement_reflns_used    12854
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5217
_cell_measurement_theta_min      2.9986
_cell_volume                     4547.9(8)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            47751
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.126
_exptl_absorpt_coefficient_mu    5.770
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7800
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    2.147
_exptl_crystal_description       prism
_exptl_crystal_F_000             2796
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.725
_refine_diff_density_min         -3.199
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1289
_refine_ls_number_reflns         20627
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0685P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1189
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17567
_reflns_number_total             20627
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b00917_si_003.cif
_cod_data_source_block
G:\paper\201411~1\RECLUS~1\Ln7\MANUSC~1\submited\_HE16B~1\1
_cod_depositor_comments
'Adding full bibliography for 4343398--4343399.cif.'
_cod_original_cell_volume        4547.9(5)
_cod_original_formula_sum        'C88 H71 Dy7 N3 O39.50'
_cod_database_code               4343398
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelxl_version_number           2013-2
#END Tags that were not found in dictionaries
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
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.03350(2) 0.35446(2) 0.05035(2) 0.03416(8) Uani 1 1 d . . .
Dy2 Dy 0.06397(2) 0.16957(2) 0.10979(2) 0.02767(7) Uani 1 1 d . . .
Dy3 Dy 0.14993(2) 0.38597(2) 0.23291(2) 0.02667(7) Uani 1 1 d . . .
Dy4 Dy 0.32212(2) 0.37173(2) 0.12814(2) 0.03357(8) Uani 1 1 d . . .
Dy5 Dy 0.14904(2) 0.39344(2) 0.40809(2) 0.02365(7) Uani 1 1 d . . .
Dy6 Dy 0.40081(2) 0.40525(2) 0.37048(2) 0.02750(7) Uani 1 1 d . . .
Dy7 Dy 0.33373(2) 0.59530(2) 0.37721(2) 0.02563(7) Uani 1 1 d . . .
O1 O 0.0523(4) 0.4698(3) 0.2079(2) 0.0478(12) Uani 1 1 d . . .
O2 O -0.0189(5) 0.4500(4) 0.1032(2) 0.0668(18) Uani 1 1 d . . .
O3 O -0.1462(8) 0.4951(6) -0.0475(4) 0.046(2) Uani 0.5 1 d . . P
O4 O -0.1444(15) 0.6029(10) 0.0220(8) 0.071(5) Uani 0.5 1 d . . P
O5 O -0.1355(13) 0.5639(14) -0.0025(9) 0.065(5) Uani 0.5 1 d . . P
O6 O -0.3037(9) 0.5604(8) -0.0414(5) 0.063(3) Uani 0.5 1 d . . P
O7 O 0.0615(4) -0.1118(3) -0.0021(2) 0.0516(12) Uani 1 1 d . . .
O8 O 0.0825(5) -0.2203(4) 0.0326(3) 0.0677(17) Uani 1 1 d . . .
O9 O 0.1923(4) 0.1342(4) 0.0858(3) 0.0555(13) Uani 1 1 d . . .
O10 O 0.3296(11) 0.2482(9) 0.0725(5) 0.056(3) Uani 0.7 1 d . . P
O11 O 0.342(2) 0.2403(17) 0.1007(13) 0.047(7) Uani 0.3 1 d . . P
O12 O 0.0836(4) 0.1556(3) 0.2174(2) 0.0507(12) Uani 1 1 d . . .
O13 O -0.0893(4) 0.1038(3) 0.1528(2) 0.0439(11) Uani 1 1 d . . .
O14 O -0.0238(3) 0.2870(3) 0.33277(19) 0.0381(10) Uani 1 1 d . . .
O15 O -0.0259(3) 0.3066(3) 0.2358(2) 0.0401(10) Uani 1 1 d . . .
O16 O 0.5598(3) 0.3962(3) 0.4349(2) 0.0369(9) Uani 1 1 d . . .
O17 O 0.5786(5) 0.3320(3) 0.5128(2) 0.0572(14) Uani 1 1 d . . .
O18 O 0.4247(4) 0.3208(3) 0.2912(2) 0.0418(10) Uani 1 1 d . . .
O19 O 0.4559(5) 0.3554(5) 0.2051(3) 0.0739(19) Uani 1 1 d . . .
O20 O 0.5603(4) 0.5410(3) 0.3973(2) 0.0427(11) Uani 1 1 d . . .
O21 O 0.5201(4) 0.6530(3) 0.3927(2) 0.0425(11) Uani 1 1 d . . .
O22 O 0.6563(4) 0.6989(3) 0.5782(2) 0.0458(11) Uani 1 1 d . . .
O23 O 0.8025(4) 0.7099(3) 0.5531(2) 0.0386(10) Uani 1 1 d . . .
O24 O 0.5014(9) 0.4900(7) 0.1371(5) 0.089(3) Uani 0.7 1 d . . P
O25 O 0.4409(6) 0.5271(5) 0.2112(4) 0.097(2) Uani 1 1 d . . .
O26 O 0.3720(5) 0.7385(3) 0.3556(3) 0.0533(13) Uani 1 1 d . . .
O27 O 0.2887(4) 0.6172(3) 0.2715(2) 0.0534(13) Uani 1 1 d . . .
O28 O -0.1103(4) 0.4840(3) 0.5594(2) 0.0356(9) Uani 1 1 d . . .
O29 O -0.2077(4) 0.3694(3) 0.5884(3) 0.0537(13) Uani 1 1 d . . .
O30 O -0.1818(12) 0.2838(12) 0.0353(12) 0.112(8) Uani 0.4 1 d . . P
O31 O -0.0879(7) 0.3780(6) -0.0344(4) 0.058(2) Uani 0.6 1 d . U P
O32 O -0.0059(5) 0.0082(3) 0.0805(3) 0.0643(15) Uani 1 1 d . . .
O33 O 0.2357(3) 0.4586(3) 0.52707(19) 0.0345(9) Uani 1 1 d . . .
O34 O 0.1407(3) 0.2774(3) 0.05635(18) 0.0319(9) Uani 1 1 d . . .
O35 O 0.0118(3) 0.2805(3) 0.12685(18) 0.0300(8) Uani 1 1 d . . .
O36 O 0.2023(3) 0.4322(3) 0.14690(19) 0.0323(9) Uani 1 1 d . . .
O37 O 0.2227(3) 0.2970(3) 0.18720(17) 0.0284(8) Uani 1 1 d . . .
O38 O 0.1597(3) 0.4708(3) 0.33024(17) 0.0288(8) Uani 1 1 d . . .
O39 O 0.3389(3) 0.4788(2) 0.30195(17) 0.0271(8) Uani 1 1 d . . .
O40 O 0.2044(3) 0.3332(2) 0.32253(18) 0.0288(8) Uani 1 1 d . . .
O41 O 0.3384(3) 0.4853(3) 0.42955(18) 0.0315(9) Uani 1 1 d . . .
O42 O 0.3989(17) 0.8989(8) 0.4328(7) 0.234(8) Uani 1 1 d . . .
O43 O -0.5000 0.5000 0.0000 0.131(5) Uani 1 2 d S . P
O44 O 0.1575(10) 0.2018(10) -0.0747(5) 0.176(5) Uani 1 1 d . . .
N1 N 0.0108(4) 0.3324(3) 0.4668(2) 0.0308(10) Uani 1 1 d . . .
N3 N 0.6863(7) 0.7547(6) 0.1531(5) 0.090(3) Uani 1 1 d . . .
N84 N 0.2978(9) 0.7570(7) 0.1373(4) 0.105(3) Uani 1 1 d . . .
C1 C 0.0015(5) 0.4855(5) 0.1611(3) 0.0384(14) Uani 1 1 d . . .
C2 C -0.0356(6) 0.5554(5) 0.1756(3) 0.0473(17) Uani 1 1 d . . .
C3 C 0.0330(7) 0.6283(6) 0.2279(4) 0.063(2) Uani 1 1 d . . .
H3A H 0.0967 0.6296 0.2558 0.076 Uiso 1 1 calc R U .
C4 C 0.0134(10) 0.7018(7) 0.2422(5) 0.083(3) Uani 1 1 d . . .
H4 H 0.0654 0.7529 0.2763 0.099 Uiso 1 1 calc R U .
C5 C -0.0831(13) 0.6958(9) 0.2052(7) 0.113(5) Uani 1 1 d . . .
H5 H -0.0991 0.7433 0.2136 0.135 Uiso 1 1 calc R U .
C6 C -0.1615(11) 0.6174(10) 0.1531(6) 0.103(4) Uani 1 1 d . . .
H6 H -0.2292 0.6136 0.1289 0.124 Uiso 1 1 calc R U .
C7 C -0.1392(7) 0.5471(6) 0.1377(4) 0.058(2) Uani 1 1 d . . .
C8 C -0.2271(8) 0.4655(9) 0.0853(6) 0.096(3) Uani 1 1 d . . .
C9 C -0.2851(11) 0.3954(10) 0.1043(6) 0.123(5) Uani 1 1 d . . .
H9 H -0.2604 0.3978 0.1481 0.148 Uiso 1 1 calc R U .
C10 C -0.3750(8) 0.3246(8) 0.0620(6) 0.096(3) Uani 1 1 d . . .
H10 H -0.4191 0.2836 0.0777 0.115 Uiso 1 1 calc R U .
C11 C -0.4054(8) 0.3100(9) -0.0069(6) 0.111(5) Uani 1 1 d . . .
H11 H -0.4618 0.2568 -0.0369 0.134 Uiso 1 1 calc R U .
C12 C -0.3472(10) 0.3782(8) -0.0266(6) 0.110(5) Uani 1 1 d . . .
H12 H -0.3632 0.3721 -0.0710 0.132 Uiso 1 1 calc R U .
C13 C -0.2636(9) 0.4574(7) 0.0203(4) 0.075(3) Uani 1 1 d . . .
C14 C -0.1709(18) 0.5239(14) -0.0002(10) 0.046(4) Uani 0.5 1 d . . P
C15 C -0.2357(15) 0.5325(12) -0.0109(7) 0.052(4) Uani 0.5 1 d . . P
C16 C 0.1013(5) -0.1417(5) 0.0413(4) 0.0521(19) Uani 1 1 d . . .
C17 C 0.1747(5) -0.0777(5) 0.1084(3) 0.0508(19) Uani 1 1 d . . .
C18 C 0.1496(7) -0.0966(6) 0.1608(4) 0.064(2) Uani 1 1 d . . .
H18 H 0.0928 -0.1514 0.1549 0.077 Uiso 1 1 calc R U .
C19 C 0.2073(9) -0.0357(8) 0.2229(4) 0.084(3) Uani 1 1 d . . .
H19 H 0.1911 -0.0492 0.2589 0.100 Uiso 1 1 calc R U .
C20 C 0.2915(8) 0.0478(8) 0.2299(4) 0.084(3) Uani 1 1 d . . .
H20 H 0.3270 0.0913 0.2704 0.101 Uiso 1 1 calc R U .
C21 C 0.3210(6) 0.0654(6) 0.1794(3) 0.058(2) Uani 1 1 d . . .
H21 H 0.3814 0.1184 0.1861 0.070 Uiso 1 1 calc R U .
C22 C 0.2607(5) 0.0036(5) 0.1157(3) 0.0452(17) Uani 1 1 d . . .
C23 C 0.2970(5) 0.0237(5) 0.0599(3) 0.0457(17) Uani 1 1 d . . .
C24 C 0.3215(6) -0.0366(5) 0.0248(3) 0.0525(19) Uani 1 1 d . . .
H24 H 0.3128 -0.0886 0.0350 0.063 Uiso 1 1 calc R U .
C25 C 0.3580(7) -0.0188(6) -0.0245(4) 0.068(3) Uani 1 1 d . . .
H25 H 0.3703 -0.0609 -0.0489 0.081 Uiso 1 1 calc R U .
C26 C 0.3771(8) 0.0574(7) -0.0395(5) 0.079(3) Uani 1 1 d . . .
H26 H 0.4052 0.0690 -0.0721 0.095 Uiso 1 1 calc R U .
C27 C 0.3540(7) 0.1166(6) -0.0054(5) 0.068(2) Uani 1 1 d . . .
H27 H 0.3656 0.1689 -0.0157 0.082 Uiso 1 1 calc R U .
C28 C 0.3140(5) 0.1015(5) 0.0439(4) 0.0477(17) Uani 1 1 d . . .
C29 C 0.2785(6) 0.1657(5) 0.0729(4) 0.0491(18) Uani 1 1 d . . .
C30 C -0.0202(5) 0.1162(4) 0.2064(3) 0.0401(14) Uani 1 1 d . . .
C31 C -0.0504(5) 0.0844(4) 0.2610(3) 0.0391(14) Uani 1 1 d . . .
C32 C 0.0189(7) 0.0584(5) 0.2997(4) 0.0556(19) Uani 1 1 d . . .
H32 H 0.0822 0.0624 0.2920 0.067 Uiso 1 1 calc R U .
C33 C -0.0047(7) 0.0261(6) 0.3504(5) 0.064(2) Uani 1 1 d . . .
H33 H 0.0417 0.0073 0.3753 0.077 Uiso 1 1 calc R U .
C34 C -0.0955(7) 0.0222(5) 0.3634(4) 0.0559(19) Uani 1 1 d . . .
H34 H -0.1111 0.0010 0.3972 0.067 Uiso 1 1 calc R U .
C35 C -0.1648(6) 0.0504(5) 0.3255(4) 0.0485(17) Uani 1 1 d . . .
H35 H -0.2264 0.0475 0.3348 0.058 Uiso 1 1 d R U .
C36 C -0.1456(5) 0.0818(4) 0.2743(3) 0.0387(14) Uani 1 1 d . . .
C37 C -0.2231(5) 0.1118(4) 0.2384(3) 0.0346(13) Uani 1 1 d . . .
C38 C -0.3349(5) 0.0519(5) 0.2046(3) 0.0457(16) Uani 1 1 d . . .
H38 H -0.3595 -0.0065 0.2050 0.055 Uiso 1 1 calc R U .
C39 C -0.4094(5) 0.0776(5) 0.1707(3) 0.0479(17) Uani 1 1 d . . .
H39 H -0.4838 0.0368 0.1496 0.057 Uiso 1 1 d R U .
C40 C -0.3751(5) 0.1621(5) 0.1676(3) 0.0482(17) Uani 1 1 d . . .
H40 H -0.4253 0.1791 0.1441 0.058 Uiso 1 1 d R U .
C41 C -0.2638(5) 0.2227(5) 0.2004(3) 0.0404(14) Uani 1 1 d . . .
H41 H -0.2400 0.2800 0.1977 0.049 Uiso 1 1 calc R U .
C42 C -0.1884(5) 0.2002(4) 0.2366(3) 0.0322(12) Uani 1 1 d . . .
C43 C -0.0705(5) 0.2692(4) 0.2716(3) 0.0314(12) Uani 1 1 d . . .
C44 C 0.5678(5) 0.3335(4) 0.4553(3) 0.0378(14) Uani 1 1 d . . .
C45 C 0.5664(5) 0.2561(4) 0.4115(3) 0.0399(14) Uani 1 1 d . . .
C46 C 0.5379(7) 0.1799(5) 0.4311(4) 0.0567(19) Uani 1 1 d . . .
H46 H 0.5208 0.1802 0.4687 0.068 Uiso 1 1 calc R U .
C47 C 0.5347(7) 0.1044(5) 0.3963(4) 0.062(2) Uani 1 1 d . . .
H47 H 0.5108 0.0529 0.4083 0.074 Uiso 1 1 d R U .
C48 C 0.5664(8) 0.1065(6) 0.3432(5) 0.072(3) Uani 1 1 d . . .
H48 H 0.5687 0.0571 0.3205 0.087 Uiso 1 1 calc R U .
C49 C 0.5941(7) 0.1794(5) 0.3238(4) 0.0550(19) Uani 1 1 d . . .
H49 H 0.6130 0.1780 0.2867 0.066 Uiso 1 1 calc R U .
C50 C 0.5961(6) 0.2578(5) 0.3567(3) 0.0465(17) Uani 1 1 d . . .
C51 C 0.6545(5) 0.3364(5) 0.3371(3) 0.0432(15) Uani 1 1 d . . .
C52 C 0.7696(6) 0.3694(6) 0.3616(4) 0.0544(19) Uani 1 1 d . . .
H52 H 0.8013 0.3493 0.3940 0.065 Uiso 1 1 calc R U .
C53 C 0.8378(6) 0.4296(6) 0.3405(4) 0.065(2) Uani 1 1 d . . .
H53 H 0.9142 0.4510 0.3594 0.077 Uiso 1 1 calc R U .
C54 C 0.7925(7) 0.4595(6) 0.2898(4) 0.065(2) Uani 1 1 d . . .
H54 H 0.8369 0.4990 0.2733 0.078 Uiso 1 1 calc R U .
C55 C 0.6785(6) 0.4268(5) 0.2661(4) 0.0547(19) Uani 1 1 d . . .
H55 H 0.6468 0.4460 0.2331 0.066 Uiso 1 1 calc R U .
C56 C 0.6083(6) 0.3669(5) 0.2885(3) 0.0421(15) Uani 1 1 d . . .
C57 C 0.4878(5) 0.3456(4) 0.2592(3) 0.0392(14) Uani 1 1 d . . .
C58 C 0.5855(5) 0.6196(4) 0.3960(3) 0.0341(13) Uani 1 1 d . . .
C59 C 0.6984(5) 0.6748(4) 0.3957(3) 0.0375(14) Uani 1 1 d . . .
C60 C 0.7368(6) 0.6314(5) 0.3566(4) 0.0497(17) Uani 1 1 d . . .
H60 H 0.6951 0.5710 0.3355 0.060 Uiso 1 1 calc R U .
C61 C 0.8355(8) 0.6764(7) 0.3485(5) 0.072(3) Uani 1 1 d . . .
H61 H 0.8587 0.6464 0.3215 0.086 Uiso 1 1 calc R U .
C62 C 0.8992(7) 0.7653(6) 0.3802(5) 0.070(3) Uani 1 1 d . . .
H62 H 0.9649 0.7961 0.3742 0.084 Uiso 1 1 calc R U .
C63 C 0.8650(6) 0.8081(5) 0.4207(4) 0.059(2) Uani 1 1 d . . .
H63 H 0.9104 0.8677 0.4434 0.070 Uiso 1 1 calc R U .
C64 C 0.7634(5) 0.7656(4) 0.4296(3) 0.0363(13) Uani 1 1 d . . .
C65 C 0.7364(5) 0.8216(4) 0.4737(3) 0.0377(14) Uani 1 1 d . . .
C66 C 0.7262(7) 0.8943(5) 0.4561(4) 0.058(2) Uani 1 1 d . . .
H66 H 0.7295 0.9011 0.4159 0.070 Uiso 1 1 calc R U .
C67 C 0.7118(8) 0.9549(6) 0.4963(5) 0.074(3) Uani 1 1 d . . .
H67 H 0.7060 1.0023 0.4836 0.088 Uiso 1 1 calc R U .
C68 C 0.7057(8) 0.9450(5) 0.5562(5) 0.069(2) Uani 1 1 d . . .
H68 H 0.6979 0.9867 0.5844 0.083 Uiso 1 1 calc R U .
C69 C 0.7114(6) 0.8721(5) 0.5739(4) 0.0513(18) Uani 1 1 d . . .
H69 H 0.7057 0.8647 0.6135 0.062 Uiso 1 1 calc R U .
C70 C 0.7254(5) 0.8105(4) 0.5323(3) 0.0355(13) Uani 1 1 d . . .
C71 C 0.7287(5) 0.7334(4) 0.5561(3) 0.0325(12) Uani 1 1 d . . .
C72 C 0.4902(8) 0.5546(7) 0.1790(5) 0.073(3) Uani 1 1 d . . .
C73 C 0.5671(6) 0.6502(5) 0.1909(4) 0.056(2) Uani 1 1 d . . .
C74 C 0.5883(8) 0.7140(7) 0.2435(5) 0.076(3) Uani 1 1 d . . .
H74 H 0.5558 0.6999 0.2741 0.091 Uiso 1 1 calc R U .
C75 C 0.6566(12) 0.7979(8) 0.2519(6) 0.105(4) Uani 1 1 d . . .
H75 H 0.6698 0.8428 0.2876 0.126 Uiso 1 1 calc R U .
C76 C 0.7077(9) 0.8179(7) 0.2072(8) 0.098(4) Uani 1 1 d . . .
H76 H 0.7578 0.8761 0.2146 0.118 Uiso 1 1 calc R U .
C77 C 0.6161(8) 0.6749(6) 0.1477(4) 0.070(2) Uani 1 1 d . . .
H77 H 0.5978 0.6304 0.1103 0.084 Uiso 1 1 calc R U .
C78 C 0.3347(5) 0.6991(5) 0.2950(3) 0.0426(15) Uani 1 1 d . . .
C79 C 0.3487(6) 0.7538(5) 0.2489(4) 0.0495(17) Uani 1 1 d . . .
C80 C 0.4153(9) 0.8426(6) 0.2688(5) 0.077(3) Uani 1 1 d . . .
H80 H 0.4557 0.8736 0.3131 0.092 Uiso 1 1 calc R U .
C81 C 0.4212(12) 0.8854(7) 0.2218(7) 0.107(4) Uani 1 1 d . . .
H81 H 0.4664 0.9459 0.2340 0.128 Uiso 1 1 calc R U .
C82 C 0.3620(13) 0.8399(9) 0.1589(7) 0.107(4) Uani 1 1 d . . .
H82 H 0.3679 0.8708 0.1284 0.128 Uiso 1 1 calc R U .
C83 C 0.2911(8) 0.7136(6) 0.1824(4) 0.070(3) Uani 1 1 d . . .
H83 H 0.2450 0.6530 0.1679 0.084 Uiso 1 1 calc R U .
C84 C -0.1423(5) 0.4054(4) 0.5616(3) 0.0310(12) Uani 1 1 d . . .
C85 C -0.1021(4) 0.3486(4) 0.5269(3) 0.0266(11) Uani 1 1 d . . .
C86 C -0.1547(6) 0.2578(4) 0.5145(4) 0.0444(16) Uani 1 1 d . . .
H86 H -0.2110 0.2322 0.5300 0.053 Uiso 1 1 calc R U .
C87 C -0.1223(7) 0.2064(5) 0.4791(4) 0.0546(19) Uani 1 1 d . . .
H87 H -0.1560 0.1454 0.4707 0.065 Uiso 1 1 calc R U .
C88 C -0.0401(6) 0.2452(4) 0.4562(4) 0.0451(16) Uani 1 1 d . . .
H88 H -0.0189 0.2095 0.4322 0.054 Uiso 1 1 d R U .
C89 C -0.0201(4) 0.3826(4) 0.5025(2) 0.0263(11) Uani 1 1 d . . .
H89 H 0.0159 0.4435 0.5112 0.032 Uiso 1 1 calc R U .
H36 H 0.2321 0.4956 0.1641 0.032 Uiso 1 1 d R U .
H40A H 0.1722 0.2799 0.3196 0.032 Uiso 1 1 d R U .
H34A H 0.1376 0.2568 0.0115 0.032 Uiso 1 1 d R U .
H35A H -0.0544 0.2547 0.1321 0.032 Uiso 1 1 d R U .
H39A H 0.3850 0.5159 0.2857 0.032 Uiso 1 1 d R U .
H132 H 0.1107 0.4858 0.3227 0.11(4) Uiso 1 1 d R . .
H37 H 0.2595 0.2794 0.2215 0.137 Uiso 1 1 d R U .
H41A H 0.3787 0.5041 0.4729 0.137 Uiso 1 1 d R U .
O45 O 0.4227(18) 0.5150(15) 0.1246(11) 0.072(6) Uani 0.3 1 d . U P
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
O5 Dy1 O35 152.5(4) 2_565 .
O5 Dy1 O2 102.9(6) 2_565 .
O35 Dy1 O2 88.09(18) . .
O5 Dy1 O8 103.4(6) 2_565 2
O35 Dy1 O8 89.01(19) . 2
O2 Dy1 O8 127.2(2) . 2
O5 Dy1 O34 87.9(5) 2_565 .
O35 Dy1 O34 71.06(14) . .
O2 Dy1 O34 149.26(14) . .
O8 Dy1 O34 76.16(16) 2 .
O5 Dy1 O31 72.7(4) 2_565 .
O35 Dy1 O31 134.8(3) . .
O2 Dy1 O31 74.2(2) . .
O8 Dy1 O31 71.3(3) 2 .
O34 Dy1 O31 136.5(2) . .
O5 Dy1 O36 84.0(4) 2_565 .
O35 Dy1 O36 72.23(13) . .
O2 Dy1 O36 83.14(16) . .
O8 Dy1 O36 144.45(16) 2 .
O34 Dy1 O36 69.32(13) . .
O31 Dy1 O36 142.4(2) . .
O5 Dy1 O3 32.6(6) 2_565 2_565
O35 Dy1 O3 138.5(2) . 2_565
O2 Dy1 O3 72.4(3) . 2_565
O8 Dy1 O3 132.0(3) 2 2_565
O34 Dy1 O3 108.4(3) . 2_565
O31 Dy1 O3 75.2(3) . 2_565
O36 Dy1 O3 69.4(2) . 2_565
O5 Dy1 O4 19.5(5) 2_565 2_565
O35 Dy1 O4 143.5(3) . 2_565
O2 Dy1 O4 122.1(3) . 2_565
O8 Dy1 O4 87.6(4) 2 2_565
O34 Dy1 O4 72.8(3) . 2_565
O31 Dy1 O4 77.7(4) . 2_565
O36 Dy1 O4 90.1(4) . 2_565
O3 Dy1 O4 51.9(4) 2_565 2_565
O5 Dy1 O30 135.5(6) 2_565 .
O35 Dy1 O30 72.0(5) . .
O2 Dy1 O30 65.1(4) . .
O8 Dy1 O30 64.0(5) 2 .
O34 Dy1 O30 125.1(4) . .
O31 Dy1 O30 62.8(6) . .
O36 Dy1 O30 132.2(6) . .
O3 Dy1 O30 126.2(5) 2_565 .
O4 Dy1 O30 136.6(7) 2_565 .
O5 Dy1 C14 6.3(8) 2_565 2_565
O35 Dy1 C14 151.0(4) . 2_565
O2 Dy1 C14 97.4(5) . 2_565
O8 Dy1 C14 109.4(5) 2 2_565
O34 Dy1 C14 91.2(4) . 2_565
O31 Dy1 C14 73.6(4) . 2_565
O36 Dy1 C14 80.2(4) . 2_565
O3 Dy1 C14 26.4(5) 2_565 2_565
O4 Dy1 C14 25.5(6) 2_565 2_565
O30 Dy1 C14 135.9(6) . 2_565
O5 Dy1 Dy2 126.7(5) 2_565 .
O35 Dy1 Dy2 35.15(10) . .
O2 Dy1 Dy2 123.15(15) . .
O8 Dy1 Dy2 70.61(14) 2 .
O34 Dy1 Dy2 38.77(10) . .
O31 Dy1 Dy2 140.5(2) . .
O36 Dy1 Dy2 77.15(9) . .
O3 Dy1 Dy2 141.2(2) 2_565 .
O4 Dy1 Dy2 110.8(3) 2_565 .
O30 Dy1 Dy2 90.9(4) . .
C14 Dy1 Dy2 129.8(4) 2_565 .
O9 Dy2 O35 144.55(17) . .
O9 Dy2 O7 94.9(2) . 2
O35 Dy2 O7 89.62(16) . 2
O9 Dy2 O37 83.29(17) . .
O35 Dy2 O37 72.98(13) . .
O7 Dy2 O37 144.00(15) 2 .
O9 Dy2 O12 103.82(19) . .
O35 Dy2 O12 93.36(16) . .
O7 Dy2 O12 142.38(17) 2 .
O37 Dy2 O12 71.52(15) . .
O9 Dy2 O34 77.52(17) . .
O35 Dy2 O34 69.68(14) . .
O7 Dy2 O34 75.23(15) 2 .
O37 Dy2 O34 69.25(13) . .
O12 Dy2 O34 140.31(15) . .
O9 Dy2 O32 70.95(19) . .
O35 Dy2 O32 143.10(16) . .
O7 Dy2 O32 73.4(2) 2 .
O37 Dy2 O32 137.37(17) . .
O12 Dy2 O32 82.1(2) . .
O34 Dy2 O32 132.77(17) . .
O9 Dy2 O13 136.84(18) . .
O35 Dy2 O13 77.92(15) . .
O7 Dy2 O13 91.76(16) 2 .
O37 Dy2 O13 114.06(14) . .
O12 Dy2 O13 52.59(15) . .
O34 Dy2 O13 144.90(14) . .
O32 Dy2 O13 70.30(17) . .
O9 Dy2 C30 122.23(19) . .
O35 Dy2 C30 85.95(17) . .
O7 Dy2 C30 116.73(18) 2 .
O37 Dy2 C30 93.73(16) . .
O12 Dy2 C30 26.67(16) . .
O34 Dy2 C30 153.27(16) . .
O32 Dy2 C30 73.7(2) . .
O13 Dy2 C30 25.95(16) . .
O9 Dy2 Dy3 120.90(14) . .
O35 Dy2 Dy3 39.10(9) . .
O7 Dy2 Dy3 127.86(14) 2 .
O37 Dy2 Dy3 37.77(9) . .
O12 Dy2 Dy3 68.23(13) . .
O34 Dy2 Dy3 77.14(9) . .
O32 Dy2 Dy3 149.76(14) . .
O13 Dy2 Dy3 86.34(11) . .
C30 Dy2 Dy3 76.96(14) . .
O9 Dy2 Dy1 114.74(14) . .
O35 Dy2 Dy1 35.16(9) . .
O7 Dy2 Dy1 70.70(13) 2 .
O37 Dy2 Dy1 77.50(9) . .
O12 Dy2 Dy1 126.47(13) . .
O34 Dy2 Dy1 37.32(10) . .
O32 Dy2 Dy1 144.02(15) . .
O13 Dy2 Dy1 107.70(11) . .
C30 Dy2 Dy1 120.78(13) . .
Dy3 Dy2 Dy1 60.602(8) . .
O9 Dy2 Dy4 67.37(14) . .
O35 Dy2 Dy4 78.11(10) . .
O7 Dy2 Dy4 110.50(13) 2 .
O37 Dy2 Dy4 36.10(9) . .
O12 Dy2 Dy4 106.80(11) . .
O34 Dy2 Dy4 36.15(9) . .
O32 Dy2 Dy4 138.31(13) . .
O13 Dy2 Dy4 146.94(11) . .
C30 Dy2 Dy4 129.79(13) . .
Dy3 Dy2 Dy4 60.781(13) . .
Dy1 Dy2 Dy4 60.777(10) . .
O38 Dy3 O15 77.53(15) . .
O38 Dy3 O36 129.21(13) . .
O15 Dy3 O36 130.49(14) . .
O38 Dy3 O1 70.61(14) . .
O15 Dy3 O1 73.85(17) . .
O36 Dy3 O1 78.32(15) . .
O38 Dy3 O37 144.76(13) . .
O15 Dy3 O37 114.70(15) . .
O36 Dy3 O37 69.54(14) . .
O1 Dy3 O37 143.39(14) . .
O38 Dy3 O39 70.25(13) . .
O15 Dy3 O39 142.39(14) . .
O36 Dy3 O39 85.94(13) . .
O1 Dy3 O39 111.55(16) . .
O37 Dy3 O39 83.75(13) . .
O38 Dy3 O40 68.65(13) . .
O15 Dy3 O40 81.89(14) . .
O36 Dy3 O40 142.47(13) . .
O1 Dy3 O40 136.03(15) . .
O37 Dy3 O40 80.15(13) . .
O39 Dy3 O40 68.81(13) . .
O38 Dy3 O35 139.84(13) . .
O15 Dy3 O35 66.12(14) . .
O36 Dy3 O35 70.55(13) . .
O1 Dy3 O35 82.99(15) . .
O37 Dy3 O35 70.33(12) . .
O39 Dy3 O35 149.59(13) . .
O40 Dy3 O35 119.74(13) . .
O38 Dy3 Dy2 152.88(10) . .
O15 Dy3 Dy2 81.30(11) . .
O36 Dy3 Dy2 77.72(9) . .
O1 Dy3 Dy2 119.20(12) . .
O37 Dy3 Dy2 37.71(9) . .
O39 Dy3 Dy2 121.34(9) . .
O40 Dy3 Dy2 91.83(9) . .
O35 Dy3 Dy2 36.32(9) . .
O38 Dy3 Dy1 137.60(10) . .
O15 Dy3 Dy1 92.84(10) . .
O36 Dy3 Dy1 38.15(9) . .
O1 Dy3 Dy1 67.07(11) . .
O37 Dy3 Dy1 76.77(9) . .
O39 Dy3 Dy1 124.08(9) . .
O40 Dy3 Dy1 151.57(9) . .
O35 Dy3 Dy1 35.65(9) . .
Dy2 Dy3 Dy1 59.737(14) . .
O38 Dy3 Dy7 35.84(10) . .
O15 Dy3 Dy7 113.36(11) . .
O36 Dy3 Dy7 101.21(9) . .
O1 Dy3 Dy7 80.65(12) . .
O37 Dy3 Dy7 121.80(9) . .
O39 Dy3 Dy7 38.14(9) . .
O40 Dy3 Dy7 76.09(9) . .
O35 Dy3 Dy7 162.93(9) . .
Dy2 Dy3 Dy7 158.860(10) . .
Dy1 Dy3 Dy7 130.698(14) . .
O38 Dy3 Dy4 142.32(10) . .
O15 Dy3 Dy4 140.08(11) . .
O36 Dy3 Dy4 36.48(10) . .
O1 Dy3 Dy4 114.80(12) . .
O37 Dy3 Dy4 35.61(9) . .
O39 Dy3 Dy4 73.56(9) . .
O40 Dy3 Dy4 107.43(10) . .
O35 Dy3 Dy4 76.09(9) . .
Dy2 Dy3 Dy4 60.107(12) . .
Dy1 Dy3 Dy4 60.265(9) . .
Dy7 Dy3 Dy4 106.547(13) . .
O19 Dy4 O10 75.5(3) . .
O19 Dy4 O34 134.6(2) . .
O10 Dy4 O34 74.7(3) . .
O19 Dy4 O37 77.65(16) . .
O10 Dy4 O37 94.5(3) . .
O34 Dy4 O37 71.48(13) . .
O19 Dy4 O45 101.8(6) . .
O10 Dy4 O45 123.0(6) . .
O34 Dy4 O45 123.1(6) . .
O37 Dy4 O45 141.5(6) . .
O19 Dy4 O36 127.91(18) . .
O10 Dy4 O36 144.8(3) . .
O34 Dy4 O36 70.41(13) . .
O37 Dy4 O36 70.05(13) . .
O45 Dy4 O36 81.5(6) . .
O19 Dy4 O11 62.2(6) . .
O10 Dy4 O11 15.9(6) . .
O34 Dy4 O11 81.5(6) . .
O37 Dy4 O11 83.0(6) . .
O45 Dy4 O11 131.5(8) . .
O36 Dy4 O11 145.8(6) . .
O19 Dy4 O6 140.2(3) . 2_565
O10 Dy4 O6 98.7(4) . 2_565
O34 Dy4 O6 78.0(3) . 2_565
O37 Dy4 O6 142.0(3) . 2_565
O45 Dy4 O6 48.0(6) . 2_565
O36 Dy4 O6 78.9(3) . 2_565
O11 Dy4 O6 114.5(7) . 2_565
O19 Dy4 O24 75.2(3) . .
O10 Dy4 O24 100.0(4) . .
O34 Dy4 O24 143.5(2) . .
O37 Dy4 O24 144.7(2) . .
O45 Dy4 O24 31.4(6) . .
O36 Dy4 O24 110.8(3) . .
O11 Dy4 O24 103.4(7) . .
O6 Dy4 O24 67.0(4) 2_565 .
O19 Dy4 O25 76.3(3) . .
O10 Dy4 O25 143.7(4) . .
O34 Dy4 O25 141.3(2) . .
O37 Dy4 O25 101.23(18) . .
O45 Dy4 O25 43.5(6) . .
O36 Dy4 O25 71.48(19) . .
O11 Dy4 O25 136.5(7) . .
O6 Dy4 O25 88.7(3) 2_565 .
O24 Dy4 O25 50.6(3) . .
O19 Dy4 C72 81.8(3) . .
O10 Dy4 C72 128.7(4) . .
O34 Dy4 C72 143.5(2) . .
O37 Dy4 C72 124.6(2) . .
O45 Dy4 C72 23.5(6) . .
O36 Dy4 C72 84.3(2) . .
O11 Dy4 C72 129.3(7) . .
O6 Dy4 C72 71.4(3) 2_565 .
O24 Dy4 C72 29.1(3) . .
O25 Dy4 C72 23.5(2) . .
O19 Dy4 Dy2 100.27(16) . .
O10 Dy4 Dy2 72.7(3) . .
O34 Dy4 Dy2 37.92(10) . .
O37 Dy4 Dy2 36.68(9) . .
O45 Dy4 Dy2 155.6(6) . .
O36 Dy4 Dy2 76.84(9) . .
O11 Dy4 Dy2 69.0(6) . .
O6 Dy4 Dy2 115.8(3) 2_565 .
O24 Dy4 Dy2 172.3(3) . .
O25 Dy4 Dy2 134.99(16) . .
C72 Dy4 Dy2 157.5(2) . .
O14 Dy5 O23 94.06(16) . 2_666
O14 Dy5 O38 87.69(14) . .
O23 Dy5 O38 143.32(14) 2_666 .
O14 Dy5 O41 148.39(14) . .
O23 Dy5 O41 89.70(15) 2_666 .
O38 Dy5 O41 71.26(13) . .
O14 Dy5 O28 101.49(16) . 2_566
O23 Dy5 O28 142.77(14) 2_666 2_566
O38 Dy5 O28 71.61(14) . 2_566
O41 Dy5 O28 94.08(14) . 2_566
O14 Dy5 O33 136.61(14) . .
O23 Dy5 O33 74.66(15) 2_666 .
O38 Dy5 O33 126.17(14) . .
O41 Dy5 O33 74.53(13) . .
O28 Dy5 O33 70.79(14) 2_566 .
O14 Dy5 O40 79.93(14) . .
O23 Dy5 O40 77.12(13) 2_666 .
O38 Dy5 O40 67.11(13) . .
O41 Dy5 O40 70.35(13) . .
O28 Dy5 O40 138.62(13) 2_566 .
O33 Dy5 O40 134.49(13) . .
O14 Dy5 N1 68.87(15) . .
O23 Dy5 N1 77.12(15) 2_666 .
O38 Dy5 N1 136.21(14) . .
O41 Dy5 N1 142.12(14) . .
O28 Dy5 N1 77.38(14) 2_566 .
O33 Dy5 N1 67.79(14) . .
O40 Dy5 N1 137.51(14) . .
O14 Dy5 Dy7 124.61(10) . .
O23 Dy5 Dy7 127.14(11) 2_666 .
O38 Dy5 Dy7 36.95(9) . .
O41 Dy5 Dy7 38.24(9) . .
O28 Dy5 Dy7 69.03(10) 2_566 .
O33 Dy5 Dy7 93.34(10) . .
O40 Dy5 Dy7 76.33(9) . .
N1 Dy5 Dy7 145.53(11) . .
O14 Dy5 Dy6 117.26(11) . .
O23 Dy5 Dy6 72.00(10) 2_666 .
O38 Dy5 Dy6 74.71(10) . .
O41 Dy5 Dy6 35.41(10) . .
O28 Dy5 Dy6 126.65(10) 2_566 .
O33 Dy5 Dy6 99.17(10) . .
O40 Dy5 Dy6 37.56(9) . .
N1 Dy5 Dy6 148.78(11) . .
Dy7 Dy5 Dy6 59.185(9) . .
O14 Dy5 Dy3 71.67(10) . .
O23 Dy5 Dy3 112.68(10) 2_666 .
O38 Dy5 Dy3 34.11(10) . .
O41 Dy5 Dy3 77.92(9) . .
O28 Dy5 Dy3 104.31(10) 2_566 .
O33 Dy5 Dy3 151.47(10) . .
O40 Dy5 Dy3 36.19(8) . .
N1 Dy5 Dy3 139.94(10) . .
Dy7 Dy5 Dy3 59.731(17) . .
Dy6 Dy5 Dy3 60.307(12) . .
O18 Dy6 O22 96.95(18) . 2_666
O18 Dy6 O41 165.71(14) . .
O22 Dy6 O41 87.38(16) 2_666 .
O18 Dy6 O39 93.99(15) . .
O22 Dy6 O39 143.16(14) 2_666 .
O41 Dy6 O39 74.81(13) . .
O18 Dy6 O20 99.58(17) . .
O22 Dy6 O20 135.48(17) 2_666 .
O41 Dy6 O20 86.54(16) . .
O39 Dy6 O20 76.28(14) . .
O18 Dy6 O40 95.01(15) . .
O22 Dy6 O40 74.25(14) 2_666 .
O41 Dy6 O40 73.00(14) . .
O39 Dy6 O40 69.81(13) . .
O20 Dy6 O40 143.84(14) . .
O18 Dy6 O16 79.81(15) . .
O22 Dy6 O16 71.96(15) 2_666 .
O41 Dy6 O16 114.45(14) . .
O39 Dy6 O16 144.80(14) . .
O20 Dy6 O16 70.77(15) . .
O40 Dy6 O16 144.84(14) . .
O18 Dy6 Dy7 132.70(12) . .
O22 Dy6 Dy7 124.49(12) 2_666 .
O41 Dy6 Dy7 38.39(10) . .
O39 Dy6 Dy7 39.35(9) . .
O20 Dy6 Dy7 67.97(11) . .
O40 Dy6 Dy7 77.80(9) . .
O16 Dy6 Dy7 130.52(10) . .
O18 Dy6 Dy5 133.51(11) . .
O22 Dy6 Dy5 68.20(11) 2_666 .
O41 Dy6 Dy5 36.57(10) . .
O39 Dy6 Dy5 78.81(9) . .
O20 Dy6 Dy5 122.27(12) . .
O40 Dy6 Dy5 39.19(9) . .
O16 Dy6 Dy5 129.83(10) . .
Dy7 Dy6 Dy5 59.917(11) . .
O18 Dy6 Dy3 86.61(11) . .
O22 Dy6 Dy3 110.04(11) 2_666 .
O41 Dy6 Dy3 79.12(9) . .
O39 Dy6 Dy3 35.70(9) . .
O20 Dy6 Dy3 111.95(10) . .
O40 Dy6 Dy3 36.05(9) . .
O16 Dy6 Dy3 166.42(10) . .
Dy7 Dy6 Dy3 60.188(16) . .
Dy5 Dy6 Dy3 60.959(8) . .
O17 Dy7 O21 76.21(19) 2_666 .
O17 Dy7 O29 73.6(2) 2_666 2_566
O21 Dy7 O29 141.50(17) . 2_566
O17 Dy7 O38 124.04(17) 2_666 .
O21 Dy7 O38 146.65(15) . .
O29 Dy7 O38 71.63(16) 2_566 .
O17 Dy7 O41 73.87(16) 2_666 .
O21 Dy7 O41 93.49(15) . .
O29 Dy7 O41 100.42(16) 2_566 .
O38 Dy7 O41 71.05(13) . .
O17 Dy7 O27 143.29(18) 2_666 .
O21 Dy7 O27 91.48(18) . .
O29 Dy7 O27 98.64(19) 2_566 .
O38 Dy7 O27 84.63(15) . .
O41 Dy7 O27 142.22(15) . .
O17 Dy7 O39 134.94(16) 2_666 .
O21 Dy7 O39 77.81(14) . .
O29 Dy7 O39 140.66(16) 2_566 .
O38 Dy7 O39 69.38(13) . .
O41 Dy7 O39 71.69(13) . .
O27 Dy7 O39 72.86(15) . .
O17 Dy7 O26 89.55(18) 2_666 .
O21 Dy7 O26 77.59(17) . .
O29 Dy7 O26 78.84(17) 2_566 .
O38 Dy7 O26 123.95(16) . .
O41 Dy7 O26 162.74(16) . .
O27 Dy7 O26 53.84(17) . .
O39 Dy7 O26 119.71(15) . .
O17 Dy7 C78 116.5(2) 2_666 .
O21 Dy7 C78 82.22(18) . .
O29 Dy7 C78 90.38(19) 2_566 .
O38 Dy7 C78 106.15(17) . .
O41 Dy7 C78 167.02(18) . .
O27 Dy7 C78 26.75(19) . .
O39 Dy7 C78 95.40(18) . .
O26 Dy7 C78 27.20(19) . .
O17 Dy7 Dy6 99.49(13) 2_666 .
O21 Dy7 Dy6 74.27(11) . .
O29 Dy7 Dy6 133.85(12) 2_566 .
O38 Dy7 Dy6 76.14(10) . .
O41 Dy7 Dy6 36.83(10) . .
O27 Dy7 Dy6 110.38(13) . .
O39 Dy7 Dy6 37.63(8) . .
O26 Dy7 Dy6 147.31(12) . .
C78 Dy7 Dy6 130.43(15) . .
O17 Dy7 Dy5 91.45(14) 2_666 .
O21 Dy7 Dy5 130.80(12) . .
O29 Dy7 Dy5 73.53(12) 2_566 .
O38 Dy7 Dy5 37.07(9) . .
O41 Dy7 Dy5 37.89(9) . .
O27 Dy7 Dy5 121.33(12) . .
O39 Dy7 Dy5 78.63(9) . .
O26 Dy7 Dy5 150.84(13) . .
C78 Dy7 Dy5 142.64(14) . .
Dy6 Dy7 Dy5 60.898(8) . .
O17 Dy7 Dy3 151.97(13) 2_666 .
O21 Dy7 Dy3 114.04(11) . .
O29 Dy7 Dy3 103.79(14) 2_566 .
O38 Dy7 Dy3 35.66(9) . .
O41 Dy7 Dy3 79.36(9) . .
O27 Dy7 Dy3 64.52(12) . .
O39 Dy7 Dy3 37.39(9) . .
O26 Dy7 Dy3 117.72(13) . .
C78 Dy7 Dy3 91.17(16) . .
Dy6 Dy7 Dy3 61.556(11) . .
Dy5 Dy7 Dy3 61.745(11) . .
C1 O1 Dy3 141.1(4) . .
C1 O2 Dy1 134.1(4) . .
C14 O3 O5 30.7(9) . .
C14 O3 C15 26.2(9) . .
O5 O3 C15 40.4(9) . .
C14 O3 Dy1 93.5(11) . 2_565
O5 O3 Dy1 62.9(8) . 2_565
C15 O3 Dy1 92.8(6) . 2_565
O5 O4 C14 33.3(16) . .
O5 O4 C15 67.7(18) . .
C14 O4 C15 44.4(11) . .
O5 O4 Dy1 59.3(17) . 2_565
C14 O4 Dy1 92.2(13) . 2_565
C15 O4 Dy1 110.0(11) . 2_565
C14 O5 O4 104(4) . .
C14 O5 C15 49(2) . .
O4 O5 C15 73(2) . .
C14 O5 O3 69(3) . .
O4 O5 O3 167(2) . .
C15 O5 O3 95.1(17) . .
C14 O5 Dy1 153(4) . 2_565
O4 O5 Dy1 101.2(19) . 2_565
C15 O5 Dy1 133.5(12) . 2_565
O3 O5 Dy1 84.5(10) . 2_565
C15 O6 Dy4 137.4(10) . 2_565
C16 O7 Dy2 136.7(5) . 2
C16 O8 Dy1 136.9(5) . 2
C29 O9 Dy2 142.0(5) . .
O11 O10 C29 62(3) . .
O11 O10 Dy4 87(4) . .
C29 O10 Dy4 127.3(8) . .
O10 O11 C29 88(4) . .
O10 O11 Dy4 77(3) . .
C29 O11 Dy4 133.7(18) . .
C30 O12 Dy2 96.2(4) . .
C30 O13 Dy2 90.7(4) . .
C43 O14 Dy5 132.7(4) . .
C43 O15 Dy3 140.5(4) . .
C44 O16 Dy6 130.2(4) . .
C44 O17 Dy7 148.3(5) . 2_666
C57 O18 Dy6 128.6(4) . .
C57 O19 Dy4 147.6(5) . .
C58 O20 Dy6 139.6(4) . .
C58 O21 Dy7 133.0(4) . .
C71 O22 Dy6 142.2(4) . 2_666
C71 O23 Dy5 132.3(4) . 2_666
O45 O24 C72 51.9(11) . .
O45 O24 Dy4 68.6(10) . .
C72 O24 Dy4 91.9(6) . .
C72 O25 Dy4 94.6(7) . .
C78 O26 Dy7 89.2(4) . .
C78 O27 Dy7 93.1(4) . .
C84 O28 Dy5 137.3(4) . 2_566
C84 O29 Dy7 132.9(4) . 2_566
Dy4 O34 Dy1 109.62(16) . .
Dy4 O34 Dy2 105.93(14) . .
Dy1 O34 Dy2 103.91(15) . .
Dy4 O34 H34A 111.3 . .
Dy1 O34 H34A 106.3 . .
Dy2 O34 H34A 119.4 . .
Dy2 O35 Dy1 109.69(16) . .
Dy2 O35 Dy3 104.58(14) . .
Dy1 O35 Dy3 105.99(15) . .
Dy2 O35 H35A 105.1 . .
Dy1 O35 H35A 122.3 . .
Dy3 O35 H35A 107.9 . .
Dy3 O36 Dy4 107.14(15) . .
Dy3 O36 Dy1 104.62(15) . .
Dy4 O36 Dy1 105.60(15) . .
Dy3 O36 H36 101.2 . .
Dy4 O36 H36 118.9 . .
Dy1 O36 H36 117.9 . .
Dy4 O37 Dy2 107.22(14) . .
Dy4 O37 Dy3 108.15(15) . .
Dy2 O37 Dy3 104.52(14) . .
Dy4 O37 H37 119.0 . .
Dy2 O37 H37 108.8 . .
Dy3 O37 H37 108.3 . .
Dy3 O38 Dy7 108.50(15) . .
Dy3 O38 Dy5 111.50(16) . .
Dy7 O38 Dy5 105.98(14) . .
Dy3 O38 H132 109.9 . .
Dy7 O38 H132 110.5 . .
Dy5 O38 H132 110.4 . .
Dy6 O39 Dy3 109.44(15) . .
Dy6 O39 Dy7 103.02(13) . .
Dy3 O39 Dy7 104.46(14) . .
Dy6 O39 H39A 121.2 . .
Dy3 O39 H39A 119.0 . .
Dy7 O39 H39A 95.5 . .
Dy6 O40 Dy3 108.09(15) . .
Dy6 O40 Dy5 103.24(14) . .
Dy3 O40 Dy5 106.27(15) . .
Dy6 O40 H40A 117.4 . .
Dy3 O40 H40A 120.9 . .
Dy5 O40 H40A 98.2 . .
Dy6 O41 Dy5 108.02(16) . .
Dy6 O41 Dy7 104.78(15) . .
Dy5 O41 Dy7 103.87(15) . .
Dy6 O41 H41A 111.3 . .
Dy5 O41 H41A 110.8 . .
Dy7 O41 H41A 117.4 . .
C88 N1 C89 117.5(5) . .
C88 N1 Dy5 118.3(4) . .
C89 N1 Dy5 123.9(4) . .
C77 N3 C76 114.5(10) . .
C82 N84 C83 116.5(9) . .
O1 C1 O2 124.9(6) . .
O1 C1 C2 117.6(6) . .
O2 C1 C2 117.4(6) . .
C3 C2 C7 119.1(7) . .
C3 C2 C1 118.2(7) . .
C7 C2 C1 122.7(7) . .
C2 C3 C4 123.5(9) . .
C2 C3 H3A 118.2 . .
C4 C3 H3A 118.2 . .
C5 C4 C3 117.5(11) . .
C5 C4 H4 121.2 . .
C3 C4 H4 121.2 . .
C4 C5 C6 120.5(10) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C7 C6 C5 121.4(10) . .
C7 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
C6 C7 C2 117.6(9) . .
C6 C7 C8 118.5(9) . .
C2 C7 C8 123.8(8) . .
C13 C8 C9 116.8(11) . .
C13 C8 C7 125.2(9) . .
C9 C8 C7 117.5(10) . .
C10 C9 C8 122.1(11) . .
C10 C9 H9 119.0 . .
C8 C9 H9 119.0 . .
C9 C10 C11 121.3(10) . .
C9 C10 H10 119.4 . .
C11 C10 H10 119.4 . .
C12 C11 C10 116.5(11) . .
C12 C11 H11 121.8 . .
C10 C11 H11 121.8 . .
C11 C12 C13 119.8(10) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C8 C13 C12 122.2(9) . .
C8 C13 C15 126.7(11) . .
C12 C13 C15 110.5(9) . .
C8 C13 C14 112.6(11) . .
C12 C13 C14 119.4(11) . .
C15 C13 C14 35.3(9) . .
O5 C14 C15 97(3) . .
O5 C14 O4 43(3) . .
C15 C14 O4 70.7(17) . .
O5 C14 O3 80(3) . .
C15 C14 O3 118(2) . .
O4 C14 O3 122(2) . .
O5 C14 C13 158(4) . .
C15 C14 C13 68.6(18) . .
O4 C14 C13 115.6(17) . .
O3 C14 C13 120.5(16) . .
O5 C14 Dy1 20(3) . 2_565
C15 C14 Dy1 102.8(17) . 2_565
O4 C14 Dy1 62.3(12) . 2_565
O3 C14 Dy1 60.1(10) . 2_565
C13 C14 Dy1 170.9(11) . 2_565
C14 C15 O5 33.7(13) . .
C14 C15 O4 64.8(17) . .
O5 C15 O4 39.8(11) . .
C14 C15 O6 155(2) . .
O5 C15 O6 124.5(16) . .
O4 C15 O6 104.8(16) . .
C14 C15 C13 76.1(19) . .
O5 C15 C13 108.4(17) . .
O4 C15 C13 116.7(13) . .
O6 C15 C13 127.1(14) . .
C14 C15 O3 36.1(15) . .
O5 C15 O3 44.5(14) . .
O4 C15 O3 84.2(12) . .
O6 C15 O3 124.4(11) . .
C13 C15 O3 92.3(11) . .
O8 C16 O7 124.8(6) . .
O8 C16 C17 117.8(7) . .
O7 C16 C17 117.4(7) . .
C18 C17 C22 120.9(7) . .
C18 C17 C16 118.6(8) . .
C22 C17 C16 120.2(7) . .
C17 C18 C19 121.0(10) . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C18 C19 C20 118.0(9) . .
C18 C19 H19 121.0 . .
C20 C19 H19 121.0 . .
C21 C20 C19 121.4(8) . .
C21 C20 H20 119.3 . .
C19 C20 H20 119.3 . .
C20 C21 C22 120.3(8) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C17 C22 C21 118.1(7) . .
C17 C22 C23 122.3(6) . .
C21 C22 C23 119.4(7) . .
C28 C23 C24 118.0(7) . .
C28 C23 C22 123.6(6) . .
C24 C23 C22 118.2(7) . .
C25 C24 C23 119.6(8) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
C26 C25 C24 122.8(8) . .
C26 C25 H25 118.6 . .
C24 C25 H25 118.6 . .
C25 C26 C27 118.0(9) . .
C25 C26 H26 121.0 . .
C27 C26 H26 121.0 . .
C26 C27 C28 122.0(10) . .
C26 C27 H27 119.0 . .
C28 C27 H27 119.0 . .
C27 C28 C23 119.5(7) . .
C27 C28 C29 117.8(8) . .
C23 C28 C29 122.4(7) . .
O11 C29 O9 117.7(15) . .
O11 C29 O10 29.6(11) . .
O9 C29 O10 125.2(9) . .
O11 C29 C28 121.3(15) . .
O9 C29 C28 117.1(7) . .
O10 C29 C28 116.7(8) . .
O13 C30 O12 120.4(6) . .
O13 C30 C31 123.8(6) . .
O12 C30 C31 115.8(6) . .
O13 C30 Dy2 63.4(4) . .
O12 C30 Dy2 57.1(3) . .
C31 C30 Dy2 171.2(4) . .
C32 C31 C36 119.9(6) . .
C32 C31 C30 117.3(6) . .
C36 C31 C30 122.8(6) . .
C31 C32 C33 120.9(7) . .
C31 C32 H32 119.6 . .
C33 C32 H32 119.6 . .
C34 C33 C32 120.2(7) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 119.4(7) . .
C33 C34 H34 120.3 . .
C35 C34 H34 120.3 . .
C36 C35 C34 122.5(7) . .
C36 C35 H35 118.8 . .
C34 C35 H35 118.7 . .
C35 C36 C31 117.1(6) . .
C35 C36 C37 117.9(6) . .
C31 C36 C37 125.0(6) . .
C38 C37 C42 117.8(6) . .
C38 C37 C36 119.7(6) . .
C42 C37 C36 122.4(5) . .
C39 C38 C37 121.3(7) . .
C39 C38 H38 119.3 . .
C37 C38 H38 119.3 . .
C40 C39 C38 120.6(6) . .
C40 C39 H39 119.7 . .
C38 C39 H39 119.6 . .
C39 C40 C41 118.9(6) . .
C39 C40 H40 120.5 . .
C41 C40 H40 120.6 . .
C42 C41 C40 121.9(7) . .
C42 C41 H41 119.1 . .
C40 C41 H41 119.1 . .
C41 C42 C37 119.3(5) . .
C41 C42 C43 119.0(6) . .
C37 C42 C43 121.7(5) . .
O15 C43 O14 124.8(5) . .
O15 C43 C42 114.8(5) . .
O14 C43 C42 120.4(5) . .
O17 C44 O16 122.9(6) . .
O17 C44 C45 115.4(6) . .
O16 C44 C45 121.7(6) . .
C50 C45 C46 119.9(7) . .
C50 C45 C44 124.6(6) . .
C46 C45 C44 115.4(6) . .
C47 C46 C45 121.8(8) . .
C47 C46 H46 119.1 . .
C45 C46 H46 119.1 . .
C48 C47 C46 118.4(8) . .
C48 C47 H47 120.9 . .
C46 C47 H47 120.7 . .
C49 C48 C47 120.5(8) . .
C49 C48 H48 119.8 . .
C47 C48 H48 119.8 . .
C48 C49 C50 123.3(8) . .
C48 C49 H49 118.4 . .
C50 C49 H49 118.4 . .
C45 C50 C49 116.0(7) . .
C45 C50 C51 128.2(6) . .
C49 C50 C51 114.1(6) . .
C56 C51 C52 117.7(7) . .
C56 C51 C50 127.5(6) . .
C52 C51 C50 113.4(6) . .
C53 C52 C51 123.3(7) . .
C53 C52 H52 118.4 . .
C51 C52 H52 118.4 . .
C52 C53 C54 119.9(7) . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C55 C54 C53 116.3(8) . .
C55 C54 H54 121.8 . .
C53 C54 H54 121.8 . .
C54 C55 C56 124.2(8) . .
C54 C55 H55 117.9 . .
C56 C55 H55 117.9 . .
C55 C56 C51 118.5(7) . .
C55 C56 C57 115.1(6) . .
C51 C56 C57 126.3(7) . .
O19 C57 O18 123.0(6) . .
O19 C57 C56 117.0(6) . .
O18 C57 C56 119.9(5) . .
O21 C58 O20 123.4(6) . .
O21 C58 C59 118.1(5) . .
O20 C58 C59 118.5(5) . .
C60 C59 C64 119.4(6) . .
C60 C59 C58 116.0(6) . .
C64 C59 C58 124.5(6) . .
C61 C60 C59 121.5(8) . .
C61 C60 H60 119.3 . .
C59 C60 H60 119.3 . .
C62 C61 C60 120.1(8) . .
C62 C61 H61 120.0 . .
C60 C61 H61 120.0 . .
C63 C62 C61 119.3(7) . .
C63 C62 H62 120.4 . .
C61 C62 H62 120.4 . .
C62 C63 C64 123.0(8) . .
C62 C63 H63 118.5 . .
C64 C63 H63 118.5 . .
C59 C64 C63 116.8(6) . .
C59 C64 C65 126.6(5) . .
C63 C64 C65 116.6(6) . .
C70 C65 C66 117.6(6) . .
C70 C65 C64 125.0(5) . .
C66 C65 C64 117.3(6) . .
C67 C66 C65 122.2(8) . .
C67 C66 H66 118.9 . .
C65 C66 H66 118.9 . .
C66 C67 C68 119.5(8) . .
C66 C67 H67 120.3 . .
C68 C67 H67 120.3 . .
C67 C68 C69 119.6(8) . .
C67 C68 H68 120.2 . .
C69 C68 H68 120.2 . .
C70 C69 C68 120.4(7) . .
C70 C69 H69 119.8 . .
C68 C69 H69 119.8 . .
C65 C70 C69 120.6(6) . .
C65 C70 C71 123.7(6) . .
C69 C70 C71 115.7(6) . .
O22 C71 O23 125.1(6) . .
O22 C71 C70 114.9(5) . .
O23 C71 C70 120.0(5) . .
O25 C72 O45 102.3(13) . .
O25 C72 O24 113.9(10) . .
O45 C72 O24 59.8(12) . .
O25 C72 C73 126.4(10) . .
O45 C72 C73 116.3(13) . .
O24 C72 C73 117.2(8) . .
O25 C72 Dy4 62.0(6) . .
O45 C72 Dy4 51.5(11) . .
O24 C72 Dy4 59.0(5) . .
C73 C72 Dy4 167.9(6) . .
C74 C73 C77 117.4(8) . .
C74 C73 C72 121.6(8) . .
C77 C73 C72 121.0(8) . .
C75 C74 C73 119.6(11) . .
C75 C74 H74 120.2 . .
C73 C74 H74 120.2 . .
C74 C75 C76 119.8(11) . .
C74 C75 H75 120.1 . .
C76 C75 H75 120.1 . .
N3 C76 C75 121.6(10) . .
N3 C76 H76 119.2 . .
C75 C76 H76 119.2 . .
N3 C77 C73 127.0(9) . .
N3 C77 H77 116.5 . .
C73 C77 H77 116.5 . .
O27 C78 O26 123.3(6) . .
O27 C78 C79 118.3(6) . .
O26 C78 C79 118.4(6) . .
O27 C78 Dy7 60.1(3) . .
O26 C78 Dy7 63.6(4) . .
C79 C78 Dy7 171.9(5) . .
C80 C79 C83 116.8(7) . .
C80 C79 C78 123.9(7) . .
C83 C79 C78 119.3(7) . .
C79 C80 C81 118.4(9) . .
C79 C80 H80 120.8 . .
C81 C80 H80 120.8 . .
C82 C81 C80 119.7(10) . .
C82 C81 H81 120.1 . .
C80 C81 H81 120.1 . .
N84 C82 C81 124.8(10) . .
N84 C82 H82 117.6 . .
C81 C82 H82 117.6 . .
N84 C83 C79 123.8(9) . .
N84 C83 H83 118.1 . .
C79 C83 H83 118.1 . .
O29 C84 O28 125.5(6) . .
O29 C84 C85 116.8(5) . .
O28 C84 C85 117.7(5) . .
C89 C85 C86 118.0(5) . .
C89 C85 C84 122.5(5) . .
C86 C85 C84 119.3(5) . .
C87 C86 C85 118.7(6) . .
C87 C86 H86 120.6 . .
C85 C86 H86 120.6 . .
C86 C87 C88 119.8(7) . .
C86 C87 H87 120.1 . .
C88 C87 H87 120.1 . .
N1 C88 C87 122.4(6) . .
N1 C88 H88 118.7 . .
C87 C88 H88 118.9 . .
N1 C89 C85 123.5(5) . .
N1 C89 H89 118.2 . .
C85 C89 H89 118.2 . .
C72 O45 O24 68.3(14) . .
C72 O45 Dy4 105.0(14) . .
O24 O45 Dy4 80.1(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.220(17) 2_565
Dy1 O35 2.303(4) .
Dy1 O2 2.319(5) .
Dy1 O8 2.334(5) 2
Dy1 O34 2.352(4) .
Dy1 O31 2.382(6) .
Dy1 O36 2.425(4) .
Dy1 O3 2.483(9) 2_565
Dy1 O4 2.533(14) 2_565
Dy1 O30 2.691(16) .
Dy1 C14 2.86(2) 2_565
Dy1 Dy2 3.7656(5) .
Dy2 O9 2.272(4) .
Dy2 O35 2.303(4) .
Dy2 O7 2.325(4) 2
Dy2 O37 2.377(4) .
Dy2 O12 2.396(5) .
Dy2 O34 2.429(4) .
Dy2 O32 2.460(5) .
Dy2 O13 2.536(4) .
Dy2 C30 2.837(7) .
Dy2 Dy3 3.7627(8) .
Dy2 Dy4 3.8012(7) .
Dy3 O38 2.336(4) .
Dy3 O15 2.345(4) .
Dy3 O36 2.375(4) .
Dy3 O1 2.375(4) .
Dy3 O37 2.381(4) .
Dy3 O39 2.384(4) .
Dy3 O40 2.385(4) .
Dy3 O35 2.452(4) .
Dy3 Dy7 3.8007(10) .
Dy3 Dy4 3.8267(5) .
Dy4 O19 2.317(5) .
Dy4 O10 2.328(13) .
Dy4 O34 2.332(4) .
Dy4 O37 2.345(4) .
Dy4 O45 2.35(2) .
Dy4 O36 2.381(4) .
Dy4 O11 2.38(3) .
Dy4 O6 2.419(9) 2_565
Dy4 O24 2.487(10) .
Dy4 O25 2.568(8) .
Dy4 C72 2.900(10) .
Dy5 O14 2.328(4) .
Dy5 O23 2.344(4) 2_666
Dy5 O38 2.353(4) .
Dy5 O41 2.374(4) .
Dy5 O28 2.419(4) 2_566
Dy5 O33 2.440(4) .
Dy5 O40 2.460(4) .
Dy5 N1 2.616(5) .
Dy5 Dy7 3.7532(6) .
Dy5 Dy6 3.7898(4) .
Dy6 O18 2.274(4) .
Dy6 O22 2.286(4) 2_666
Dy6 O41 2.309(4) .
Dy6 O39 2.334(4) .
Dy6 O20 2.371(4) .
Dy6 O40 2.374(4) .
Dy6 O16 2.385(4) .
Dy6 Dy7 3.7251(4) .
Dy7 O17 2.285(4) 2_666
Dy7 O21 2.317(4) .
Dy7 O29 2.343(4) 2_566
Dy7 O38 2.347(4) .
Dy7 O41 2.393(4) .
Dy7 O27 2.395(5) .
Dy7 O39 2.424(4) .
Dy7 O26 2.469(5) .
Dy7 C78 2.758(7) .
O1 C1 1.227(7) .
O2 C1 1.231(8) .
O3 C14 1.27(2) .
O3 O5 1.35(2) .
O3 C15 1.91(2) .
O3 Dy1 2.483(9) 2_565
O4 O5 0.86(2) .
O4 C14 1.23(3) .
O4 C15 1.28(2) .
O4 Dy1 2.533(14) 2_565
O5 C14 0.696(17) .
O5 C15 1.25(2) .
O5 Dy1 2.220(17) 2_565
O6 C15 1.31(2) .
O6 Dy4 2.420(9) 2_565
O7 C16 1.265(9) .
O7 Dy2 2.325(4) 2
O8 C16 1.243(9) .
O8 Dy1 2.334(5) 2
O9 C29 1.256(8) .
O10 O11 0.65(2) .
O10 C29 1.325(14) .
O11 C29 1.18(3) .
O12 C30 1.281(7) .
O13 C30 1.241(8) .
O14 C43 1.264(7) .
O15 C43 1.252(7) .
O16 C44 1.267(7) .
O17 C44 1.253(7) .
O17 Dy7 2.285(4) 2_666
O18 C57 1.274(8) .
O19 C57 1.229(8) .
O20 C58 1.266(7) .
O21 C58 1.250(7) .
O22 C71 1.238(7) .
O22 Dy6 2.286(4) 2_666
O23 C71 1.263(7) .
O23 Dy5 2.344(4) 2_666
O24 O45 1.31(2) .
O24 C72 1.413(15) .
O25 C72 1.159(10) .
O26 C78 1.261(9) .
O27 C78 1.243(8) .
O28 C84 1.263(7) .
O28 Dy5 2.419(4) 2_566
O29 C84 1.251(7) .
O29 Dy7 2.343(4) 2_566
O34 H34A 0.9844 .
O35 H35A 0.9137 .
O36 H36 0.9676 .
O37 H37 0.9612 .
O38 H132 0.8111 .
O39 H39A 0.9182 .
O40 H40A 0.8336 .
O41 H41A 0.9022 .
N1 C88 1.335(8) .
N1 C89 1.344(7) .
N3 C77 1.307(11) .
N3 C76 1.356(15) .
N84 C82 1.275(15) .
N84 C83 1.349(11) .
C1 C2 1.505(10) .
C2 C3 1.353(12) .
C2 C7 1.411(10) .
C3 C4 1.399(13) .
C3 H3A 0.9300 .
C4 C5 1.338(16) .
C4 H4 0.9300 .
C5 C6 1.422(18) .
C5 H5 0.9300 .
C6 C7 1.372(13) .
C6 H6 0.9300 .
C7 C8 1.482(15) .
C8 C13 1.357(13) .
C8 C9 1.377(14) .
C9 C10 1.326(17) .
C9 H9 0.9300 .
C10 C11 1.423(16) .
C10 H10 0.9300 .
C11 C12 1.365(13) .
C11 H11 0.9300 .
C12 C13 1.399(15) .
C12 H12 0.9300 .
C13 C15 1.536(17) .
C13 C14 1.60(2) .
C14 C15 0.95(2) .
C14 Dy1 2.86(2) 2_565
C16 C17 1.499(9) .
C17 C18 1.360(11) .
C17 C22 1.400(11) .
C18 C19 1.385(12) .
C18 H18 0.9300 .
C19 C20 1.416(15) .
C19 H19 0.9300 .
C20 C21 1.339(13) .
C20 H20 0.9300 .
C21 C22 1.417(8) .
C21 H21 0.9300 .
C22 C23 1.504(10) .
C23 C28 1.390(11) .
C23 C24 1.398(10) .
C24 C25 1.360(12) .
C24 H24 0.9300 .
C25 C26 1.350(14) .
C25 H25 0.9300 .
C26 C27 1.357(12) .
C26 H26 0.9300 .
C27 C28 1.378(11) .
C27 H27 0.9300 .
C28 C29 1.498(9) .
C30 C31 1.507(9) .
C31 C32 1.377(10) .
C31 C36 1.432(9) .
C32 C33 1.397(11) .
C32 H32 0.9300 .
C33 C34 1.362(11) .
C33 H33 0.9300 .
C34 C35 1.395(10) .
C34 H34 0.9300 .
C35 C36 1.384(9) .
C35 H35 0.9297 .
C36 C37 1.480(9) .
C37 C38 1.399(8) .
C37 C42 1.417(8) .
C38 C39 1.379(10) .
C38 H38 0.9300 .
C39 C40 1.365(10) .
C39 H39 0.9300 .
C40 C41 1.394(9) .
C40 H40 0.9299 .
C41 C42 1.370(8) .
C41 H41 0.9300 .
C42 C43 1.498(8) .
C44 C45 1.501(9) .
C45 C50 1.391(9) .
C45 C46 1.396(10) .
C46 C47 1.373(11) .
C46 H46 0.9300 .
C47 C48 1.369(13) .
C47 H47 0.9302 .
C48 C49 1.344(12) .
C48 H48 0.9300 .
C49 C50 1.411(10) .
C49 H49 0.9300 .
C50 C51 1.492(10) .
C51 C56 1.392(9) .
C51 C52 1.397(9) .
C52 C53 1.361(12) .
C52 H52 0.9300 .
C53 C54 1.411(13) .
C53 H53 0.9300 .
C54 C55 1.384(11) .
C54 H54 0.9300 .
C55 C56 1.391(11) .
C55 H55 0.9300 .
C56 C57 1.508(9) .
C58 C59 1.507(8) .
C59 C60 1.396(9) .
C59 C64 1.408(9) .
C60 C61 1.382(11) .
C60 H60 0.9300 .
C61 C62 1.373(13) .
C61 H61 0.9300 .
C62 C63 1.365(12) .
C62 H62 0.9300 .
C63 C64 1.418(9) .
C63 H63 0.9300 .
C64 C65 1.482(9) .
C65 C70 1.387(9) .
C65 C66 1.418(9) .
C66 C67 1.370(12) .
C66 H66 0.9300 .
C67 C68 1.391(13) .
C67 H67 0.9300 .
C68 C69 1.398(11) .
C68 H68 0.9300 .
C69 C70 1.396(10) .
C69 H69 0.9300 .
C70 C71 1.518(8) .
C72 O45 1.20(2) .
C72 C73 1.508(12) .
C73 C74 1.339(13) .
C73 C77 1.357(11) .
C74 C75 1.338(15) .
C74 H74 0.9300 .
C75 C76 1.389(17) .
C75 H75 0.9300 .
C76 H76 0.9300 .
C77 H77 0.9300 .
C78 C79 1.503(9) .
C79 C80 1.363(11) .
C79 C83 1.377(11) .
C80 C81 1.377(13) .
C80 H80 0.9300 .
C81 C82 1.328(17) .
C81 H81 0.9300 .
C82 H82 0.9300 .
C83 H83 0.9300 .
C84 C85 1.509(8) .
C85 C89 1.374(7) .
C85 C86 1.385(8) .
C86 C87 1.371(10) .
C86 H86 0.9300 .
C87 C88 1.371(9) .
C87 H87 0.9300 .
C88 H88 0.9302 .
C89 H89 0.9300 .
