#------------------------------------------------------------------------------
#$Date: 2019-11-05 11:44:49 +0200 (Tue, 05 Nov 2019) $
#$Revision: 223316 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/16/7701602.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_7701602
loop_
_publ_author_name
'Lu, Jingjing'
'Li, Xiao-Lei'
'Zhu, Zhenhua'
'Liu, Shuting'
'Yang, Qianqian'
'Tang, Jinkui'
_publ_section_title
;
 Linear hexanuclear helical dysprosium single-molecule magnets: the effect
 of axial substitution on magnetic interactions and relaxation dynamics.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14062
_journal_page_last               14068
_journal_paper_doi               10.1039/c9dt03101d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C78 H80 Dy6 N28 O42'
_chemical_formula_sum            'C78 H80 Dy6 N28 O42'
_chemical_formula_weight         3056.70
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-05-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-06-28 deposited with the CCDC.	2019-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   55.955(4)
_cell_length_b                   55.955(4)
_cell_length_c                   20.8428(17)
_cell_measurement_reflns_used    9754
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.89
_cell_measurement_theta_min      2.18
_cell_volume                     56515(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2081
_diffrn_reflns_av_unetI/netI     0.0940
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       69
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       57
_diffrn_reflns_limit_k_min       -69
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            116093
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.262
_diffrn_reflns_theta_min         0.728
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    3.607
_exptl_absorpt_correction_T_max  0.436
_exptl_absorpt_correction_T_min  0.365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_description       Needlelike
_exptl_crystal_F_000             26568
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.966
_refine_diff_density_min         -2.055
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         12660
_refine_ls_number_restraints     207
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1673
_refine_ls_R_factor_gt           0.0867
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0758P)²+5837.3667P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1954
_refine_ls_wR_factor_ref         0.2656
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6965
_reflns_number_total             12660
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03101d2.cif
_cod_data_source_block           Dy6-NO3
_cod_original_cell_volume        56515(9)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7701602
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 N10-O12
 1.24 with sigma of 0.01
 N14-O21
 1.25 with sigma of 0.02
 N14-O19
 1.25 with sigma of 0.02
 N14-O20
 1.25 with sigma of 0.02
 N12-O17
 1.24 with sigma of 0.04
 N12-O16
 1.24 with sigma of 0.04
 N12-O15
 1.24 with sigma of 0.04
 O16-O17
 2.16 with sigma of 0.04
 O16-O15
 2.16 with sigma of 0.04
 O17-O15
 2.16 with sigma of 0.04
 O19-O19_$1
 2.2 with sigma of 0.04
 N13-C38 \\sim N13-C39
 with sigma of 0.02
 N14-O19 \\sim N14-O20 \\sim N14-O21
 with sigma of 0.02
 O19-O20 \\sim O20-O21 \\sim O21-O19
 with sigma of 0.04
3. Restrained planarity
 C37, O18, N13, C38, C39
 with sigma of 0.1
 N14, O19, O20, O21
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C37 \\sim O18 \\sim N13 \\sim C38 \\sim C39: within 2A with sigma of 0.04 and
sigma for terminal atoms of 0.08
N14 \\sim O19 \\sim O20 \\sim O21: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(O16) \\sim Ueq, Uanis(O17) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O12) \\sim Ueq, Uanis(N10) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(O11)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N13) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C37)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O19) \\sim Ueq, Uanis(N14) \\sim Ueq, Uanis(O21) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O20) \\sim Ueq, Uanis(O20) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
5. Rigid body (RIGU) restrains
 N12, O17, O16, O15
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, O18, N13, C38, C39
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N14, O19, O20, O21
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Riding coordinates:
 C36(H36A,H36B,H36C)
6.b Rotating group:
 O13(H13A,H13B)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C9(H9), C12(H12), C16(H16), C17(H17), C18(H18),
 C19(H19), C23(H23), C27(H27), C28(H28), C29(H29), C32(H32), C34(H34), C35(H35),
  C37(H37)
6.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,
 H33C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.2277(3) 0.9199(3) 0.5605(9) 0.046(4) Uani 1 1 d . .
C2 C 0.2096(4) 0.9304(4) 0.5358(8) 0.048(4) Uani 1 1 d . .
C3 C 0.1199(4) 0.8636(4) 0.7203(9) 0.054(5) Uani 1 1 d . .
H3 H 0.117546 0.855563 0.760546 0.064 Uiso 1 1 calc R .
C4 C 0.1077(4) 0.8782(4) 0.7053(8) 0.055(5) Uani 1 1 d . .
H4 H 0.095072 0.878904 0.733091 0.065 Uiso 1 1 calc R .
C5 C 0.1362(3) 0.8609(3) 0.6744(8) 0.043(4) Uani 1 1 d . .
C6 C 0.1049(4) 0.9119(4) 0.6257(9) 0.051(4) Uani 1 1 d . .
C7 C 0.2559(3) 0.9358(4) 0.5713(10) 0.061(5) Uani 1 1 d . .
H7 H 0.265497 0.954603 0.562535 0.073 Uiso 1 1 calc R .
C8 C 0.1142(4) 0.8923(4) 0.6473(8) 0.049(4) Uani 1 1 d . .
C9 C 0.1385(4) 0.8309(4) 0.3868(9) 0.055(5) Uani 1 1 d . .
H9 H 0.138108 0.819802 0.353160 0.066 Uiso 1 1 calc R .
C10 C 0.1524(3) 0.8471(3) 0.6835(9) 0.045(4) Uani 1 1 d . .
C11 C 0.0683(4) 0.9779(4) 0.6088(10) 0.057(5) Uani 1 1 d . .
C12 C 0.0833(4) 0.8614(4) 0.3650(10) 0.059(5) Uani 1 1 d . .
H12 H 0.070270 0.866946 0.361443 0.070 Uiso 1 1 calc R .
C13 C 0.1028(3) 0.8712(4) 0.4133(9) 0.054(5) Uani 1 1 d . .
C14 C 0.1219(3) 0.8633(4) 0.4195(9) 0.051(5) Uani 1 1 d . .
C15 C 0.1220(4) 0.8437(4) 0.3807(9) 0.056(5) Uani 1 1 d . .
C16 C 0.1025(4) 0.8334(4) 0.3311(10) 0.063(5) Uani 1 1 d . .
H16 H 0.101870 0.819900 0.303827 0.076 Uiso 1 1 calc R .
C17 C 0.0630(4) 0.9360(4) 0.6655(8) 0.057(5) Uani 1 1 d . .
H17 H 0.053373 0.922707 0.696750 0.069 Uiso 1 1 calc R .
C18 C 0.0329(5) 0.9540(6) 0.6877(11) 0.080(7) Uani 1 1 d . .
H18 H 0.023808 0.939383 0.716073 0.096 Uiso 1 1 calc R .
C19 C 0.0840(4) 0.8429(5) 0.3219(10) 0.069(6) Uani 1 1 d . .
H19 H 0.072181 0.836853 0.286836 0.083 Uiso 1 1 calc R .
C20 C 0.0548(4) 0.9558(4) 0.6528(9) 0.056(5) Uani 1 1 d . .
C21 C 0.1656(4) 0.9858(4) 0.4577(9) 0.049(4) Uani 1 1 d . .
C22 C 0.0756(3) 0.8765(4) 0.4942(11) 0.072(7) Uani 1 1 d . .
H22A H 0.060670 0.872869 0.465895 0.107 Uiso 1 1 calc GR .
H22B H 0.076452 0.888436 0.528235 0.107 Uiso 1 1 calc GR .
H22C H 0.072775 0.859427 0.512003 0.107 Uiso 1 1 calc GR .
C23 C 0.0356(4) 0.9921(5) 0.6388(10) 0.066(6) Uani 1 1 d . .
H23 H 0.028410 1.003752 0.632564 0.079 Uiso 1 1 calc R .
C24 C 0.1933(4) 0.9954(4) 0.4425(11) 0.067(6) Uani 1 1 d . .
C25 C 0.1539(4) 1.0012(4) 0.4340(9) 0.063(5) Uani 1 1 d . .
C26 C 0.0573(4) 0.9959(4) 0.6030(11) 0.069(6) Uani 1 1 d . .
C27 C 0.2086(4) 0.9835(4) 0.4673(10) 0.061(5) Uani 1 1 d . .
H27 H 0.227716 0.994262 0.465194 0.073 Uiso 1 1 calc R .
C28 C 0.0241(5) 0.9722(6) 0.6829(12) 0.101(9) Uani 1 1 d . .
H28 H 0.010278 0.970953 0.709706 0.121 Uiso 1 1 calc R .
C29 C 0.2071(5) 1.0190(4) 0.4027(12) 0.079(7) Uani 1 1 d . .
H29 H 0.225372 1.025122 0.392015 0.095 Uiso 1 1 calc R .
C30 C 0.0628(5) 1.0361(5) 0.5502(14) 0.099(9) Uani 1 1 d . .
H30A H 0.045873 1.027776 0.526137 0.149 Uiso 1 1 calc GR .
H30B H 0.076621 1.051849 0.527176 0.149 Uiso 1 1 calc GR .
H30C H 0.059757 1.041949 0.591240 0.149 Uiso 1 1 calc GR .
C31 C 0.1144(5) 1.0070(5) 0.4323(13) 0.090(8) Uani 1 1 d . .
H31A H 0.126418 1.026337 0.439726 0.134 Uiso 1 1 calc GR .
H31B H 0.097441 1.000816 0.455252 0.134 Uiso 1 1 calc GR .
H31C H 0.110593 1.003774 0.387224 0.134 Uiso 1 1 calc GR .
C32 C 0.0632(6) 0.9273(5) 0.4395(12) 0.078(7) Uani 1 1 d . .
H32 H 0.045268 0.921123 0.453732 0.094 Uiso 1 1 calc R .
C33 C 0.0947(6) 0.9335(6) 0.3511(12) 0.105(9) Uani 1 1 d . .
H33A H 0.101864 0.950502 0.327600 0.158 Uiso 1 1 calc GR .
H33B H 0.093268 0.919246 0.323119 0.158 Uiso 1 1 calc GR .
H33C H 0.106787 0.935878 0.386101 0.158 Uiso 1 1 calc GR .
C34 C 0.1678(5) 1.0241(4) 0.3955(9) 0.062(5) Uani 1 1 d . .
H34 H 0.159221 1.033501 0.380230 0.074 Uiso 1 1 calc R .
C35 C 0.1953(4) 1.0327(4) 0.3800(9) 0.059(5) Uani 1 1 d . .
H35 H 0.205284 1.048077 0.353951 0.071 Uiso 1 1 calc R .
C36 C 0.0455(6) 0.9169(7) 0.3294(12) 0.116(11) Uani 1 1 d . .
H36A H 0.050200 0.931446 0.298861 0.173 Uiso 1 1 d R .
H36B H 0.043590 0.900896 0.307851 0.173 Uiso 1 1 d R .
H36C H 0.028330 0.912416 0.349841 0.173 Uiso 1 1 d R .
Dy3 Dy 0.16533(2) 0.86384(2) 0.52930(4) 0.0442(2) Uani 1 1 d . .
Dy2 Dy 0.15000(2) 0.92282(2) 0.51025(4) 0.0477(2) Uani 1 1 d . .
Dy1 Dy 0.11408(2) 0.96402(2) 0.55063(5) 0.0595(3) Uani 1 1 d . .
N1 N 0.2138(3) 0.8926(3) 0.5719(6) 0.042(3) Uani 1 1 d . .
N2 N 0.1413(3) 0.8741(3) 0.6193(7) 0.051(4) Uani 1 1 d . .
N3 N 0.1541(3) 0.8337(3) 0.4359(7) 0.051(4) Uani 1 1 d . .
N4 N 0.1665(3) 0.8165(3) 0.4307(7) 0.052(4) Uani 1 1 d . .
N5 N 0.0882(3) 0.9143(3) 0.6614(7) 0.053(4) Uani 1 1 d . .
N6 N 0.0833(4) 0.9352(3) 0.6357(8) 0.063(4) Uani 1 1 d . .
N7 N 0.1990(3) 0.9598(3) 0.4918(7) 0.048(3) Uani 1 1 d . .
N8 N 0.1302(3) 0.8894(3) 0.6054(7) 0.050(4) Uani 1 1 d . .
N9 N 0.2205(3) 0.9550(3) 0.5142(9) 0.069(5) Uani 1 1 d . .
N10 N 0.1565(5) 1.0046(5) 0.6300(12) 0.109(7) Uani 1 1 d D U
N11 N 0.0669(4) 0.9257(4) 0.3765(10) 0.084(6) Uani 1 1 d . .
O1 O 0.1830(2) 0.9117(2) 0.5354(5) 0.044(3) Uani 1 1 d . .
O2 O 0.1679(2) 0.8489(2) 0.6350(5) 0.048(3) Uani 1 1 d . .
O3 O 0.1166(3) 0.9254(2) 0.5730(6) 0.053(3) Uani 1 1 d . .
O4 O 0.1501(3) 0.9639(2) 0.4943(6) 0.055(3) Uani 1 1 d . .
O5 O 0.0719(3) 1.0164(3) 0.5591(7) 0.071(4) Uani 1 1 d . .
O6 O 0.1273(3) 0.9923(3) 0.4539(6) 0.065(4) Uani 1 1 d . .
O7 O 0.1407(2) 0.8769(2) 0.4696(5) 0.048(3) Uani 1 1 d . .
O8 O 0.1015(3) 0.8897(3) 0.4586(6) 0.054(3) Uani 1 1 d . .
O9 O 0.0887(3) 0.9812(3) 0.5757(7) 0.075(4) Uani 1 1 d . .
O10 O 0.1516(3) 1.0107(3) 0.5789(7) 0.075(4) Uani 1 1 d . U
O11 O 0.1417(4) 0.9775(4) 0.6467(9) 0.104(6) Uani 1 1 d . U
O12 O 0.1745(5) 1.0197(6) 0.6689(13) 0.165(10) Uani 1 1 d D U
O13 O 0.1715(3) 0.9460(3) 0.6124(6) 0.062(3) Uani 1 1 d . .
H13A H 0.181709 0.939728 0.626815 0.093 Uiso 1 1 d GR .
H13B H 0.159068 0.941547 0.641226 0.093 Uiso 1 1 d GR .
O14 O 0.0824(3) 0.9368(3) 0.4814(7) 0.072(4) Uani 1 1 d . .
O15 O 0.1989(3) 0.8858(3) 0.4424(8) 0.088(4) Uani 1 1 d D U
N12 N 0.2205(7) 0.8888(8) 0.4222(14) 0.166(11) Uani 1 1 d D U
O16 O 0.2349(6) 0.8794(6) 0.4507(13) 0.178(9) Uani 1 1 d D U
O17 O 0.2293(6) 0.9000(6) 0.3650(12) 0.172(8) Uani 1 1 d D U
C37 C 0.1742(7) 0.9295(7) 0.3660(17) 0.139(7) Uani 1 1 d . U
H37 H 0.183825 0.920457 0.376146 0.166 Uiso 1 1 calc R .
O18 O 0.1537(4) 0.9279(3) 0.3994(7) 0.080(4) Uani 1 1 d . U
N13 N 0.1792(5) 0.9454(6) 0.3169(14) 0.143(6) Uani 1 1 d D U
C38 C 0.1993(8) 0.9575(8) 0.2604(17) 0.168(9) Uani 1 1 d D U
H38A H 0.210293 0.977191 0.265462 0.252 Uiso 1 1 calc GR .
H38B H 0.189052 0.953401 0.221095 0.252 Uiso 1 1 calc GR .
H38C H 0.211090 0.949674 0.259369 0.252 Uiso 1 1 calc GR .
C39 C 0.1647(8) 0.9612(8) 0.2956(19) 0.163(9) Uani 1 1 d D U
H39A H 0.149021 0.956238 0.322769 0.244 Uiso 1 1 calc GR .
H39B H 0.158595 0.956501 0.251958 0.244 Uiso 1 1 calc GR .
H39C H 0.177269 0.980670 0.298721 0.244 Uiso 1 1 calc GR .
N14 N 0.0998(4) 0.8016(5) 0.5745(11) 0.212(7) Uani 1 1 d D U
O19 O 0.0922(6) 0.7769(5) 0.5491(13) 0.252(9) Uani 1 1 d D U
O20 O 0.1205(4) 0.8237(4) 0.5476(9) 0.116(5) Uani 1 1 d D U
O21 O 0.0851(6) 0.8004(7) 0.6262(14) 0.224(9) Uani 1 1 d D U
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
C7 C1 C2 125.5(15) . .
N1 C1 C2 112.6(14) . .
N1 C1 C7 121.9(16) . .
N9 C2 C1 119.6(17) . .
N9 C2 O1 126.3(16) . .
O1 C2 C1 114.0(13) . .
C4 C3 C5 118.1(17) . .
C3 C4 C8 118.7(17) . .
C3 C5 C10 125.7(17) . .
N2 C5 C3 120.8(16) . .
N2 C5 C10 112.9(15) . .
N5 C6 C8 116.8(17) . .
N5 C6 O3 128.3(17) . .
O3 C6 C8 114.8(15) . .
C7 C7 C1 117.3(10) 16_455 .
C4 C8 C6 126.0(17) . .
N8 C8 C4 120.6(17) . .
N8 C8 C6 113.3(15) . .
N3 C9 C15 125.0(18) . .
N4 C10 C5 120.5(16) 16_455 .
O2 C10 C5 114.8(15) . .
O2 C10 N4 124.6(16) . 16_455
C20 C11 C26 116.2(18) . .
O9 C11 C20 121.9(17) . .
O9 C11 C26 121.9(19) . .
C13 C12 C19 117.4(19) . .
C12 C13 O8 117.0(17) . .
C14 C13 C12 122(2) . .
C14 C13 O8 120.6(17) . .
C13 C14 C15 121.8(18) . .
C13 C14 O7 113.3(17) . .
C15 C14 O7 124.9(15) . .
C14 C15 C9 127.8(17) . .
C14 C15 C16 117.0(17) . .
C16 C15 C9 115.1(17) . .
C19 C16 C15 121.1(19) . .
N6 C17 C20 123.8(19) . .
C28 C18 C20 124(2) . .
C12 C19 C16 120(2) . .
C11 C20 C17 124.4(18) . .
C18 C20 C11 118(2) . .
C18 C20 C17 118(2) . .
C24 C21 C25 116.8(18) . .
O4 C21 C24 124.8(16) . .
O4 C21 C25 118.4(17) . .
C28 C23 C26 122(2) . .
C21 C24 C27 123.4(17) . .
C21 C24 C29 118.2(19) . .
C29 C24 C27 118.3(19) . .
C34 C25 C21 123.8(19) . .
C34 C25 O6 121.1(19) . .
O6 C25 C21 115.1(17) . .
C23 C26 C11 121(2) . .
C23 C26 O5 127.9(19) . .
O5 C26 C11 111.1(18) . .
N7 C27 C24 126.7(18) . .
C18 C28 C23 119(2) . .
C35 C29 C24 124(2) . .
O14 C32 N11 125(2) . .
C25 C34 C35 117.8(19) . .
C29 C35 C34 119.7(18) . .
Dy3 Dy3 Dy2 145.29(3) 16_455 .
N1 Dy3 Dy3 59.1(3) . 16_455
N1 Dy3 Dy2 96.8(3) . .
N1 Dy3 N2 96.7(5) . .
N2 Dy3 Dy3 95.3(4) . 16_455
N2 Dy3 Dy2 60.5(3) . .
N3 Dy3 Dy3 99.5(4) . 16_455
N3 Dy3 Dy2 115.0(4) . .
N3 Dy3 N1 122.9(5) . .
N3 Dy3 N2 139.8(5) . .
N3 Dy3 O15 68.0(5) . .
O1 Dy3 Dy3 118.1(3) . 16_455
O1 Dy3 Dy2 33.9(3) . .
O1 Dy3 N1 63.1(4) . .
O1 Dy3 N2 70.8(4) . .
O1 Dy3 N3 130.3(4) . .
O1 Dy3 O2 106.5(4) . .
O1 Dy3 O15 71.9(4) . .
O1 Dy3 O20 134.4(5) . .
O2 Dy3 Dy3 35.8(3) 16_455 16_455
O2 Dy3 Dy3 33.8(3) . 16_455
O2 Dy3 Dy2 118.4(3) . .
O2 Dy3 Dy2 169.0(3) 16_455 .
O2 Dy3 N1 75.5(4) 16_455 .
O2 Dy3 N1 70.4(4) . .
O2 Dy3 N2 127.4(5) 16_455 .
O2 Dy3 N2 61.7(4) . .
O2 Dy3 N3 122.2(5) . .
O2 Dy3 N3 64.7(4) 16_455 .
O2 Dy3 O1 137.2(4) 16_455 .
O2 Dy3 O2 66.9(5) 16_455 .
O2 Dy3 O15 83.4(5) 16_455 .
O2 Dy3 O15 133.8(5) . .
O2 Dy3 O20 86.5(6) 16_455 .
O2 Dy3 O20 75.2(5) . .
O7 Dy3 Dy3 171.5(3) . 16_455
O7 Dy3 Dy2 38.6(3) . .
O7 Dy3 N1 129.0(4) . .
O7 Dy3 N2 81.7(5) . .
O7 Dy3 N3 78.2(5) . .
O7 Dy3 O1 68.5(4) . .
O7 Dy3 O2 141.6(4) . .
O7 Dy3 O2 142.9(4) . 16_455
O7 Dy3 O15 82.4(5) . .
O7 Dy3 O20 82.4(6) . .
O15 Dy3 Dy3 104.4(4) . 16_455
O15 Dy3 Dy2 86.4(4) . .
O15 Dy3 N1 68.3(5) . .
O15 Dy3 N2 142.5(5) . .
O20 Dy3 Dy3 89.0(5) . 16_455
O20 Dy3 Dy2 104.0(5) . .
O20 Dy3 N1 145.3(5) . .
O20 Dy3 N2 70.9(6) . .
O20 Dy3 N3 72.3(6) . .
O20 Dy3 O15 139.6(6) . .
Dy3 Dy2 Dy1 155.19(3) . .
N7 Dy2 Dy3 96.0(3) . .
N7 Dy2 Dy1 102.9(3) . .
N7 Dy2 N8 128.0(5) . .
N7 Dy2 O8 146.7(4) . .
N8 Dy2 Dy3 59.5(3) . .
N8 Dy2 Dy1 95.9(3) . .
N8 Dy2 O8 83.5(4) . .
O1 Dy2 Dy3 35.0(3) . .
O1 Dy2 Dy1 148.4(3) . .
O1 Dy2 N7 63.9(4) . .
O1 Dy2 N8 74.8(4) . .
O1 Dy2 O3 131.8(4) . .
O1 Dy2 O4 134.5(4) . .
O1 Dy2 O7 65.1(4) . .
O1 Dy2 O8 126.3(4) . .
O1 Dy2 O13 72.3(4) . .
O1 Dy2 O18 103.0(5) . .
O3 Dy2 Dy3 121.7(3) . .
O3 Dy2 Dy1 33.6(3) . .
O3 Dy2 N7 127.7(4) . .
O3 Dy2 N8 63.0(4) . .
O3 Dy2 O7 119.4(4) . .
O3 Dy2 O8 72.5(4) . .
O3 Dy2 O13 71.4(4) . .
O4 Dy2 Dy3 168.5(3) . .
O4 Dy2 Dy1 34.7(3) . .
O4 Dy2 N7 72.5(4) . .
O4 Dy2 N8 128.3(4) . .
O4 Dy2 O3 68.0(4) . .
O4 Dy2 O7 150.0(4) . .
O4 Dy2 O8 97.4(4) . .
O4 Dy2 O13 81.1(4) . .
O4 Dy2 O18 77.3(5) . .
O7 Dy2 Dy3 33.8(3) . .
O7 Dy2 Dy1 142.2(3) . .
O7 Dy2 N7 112.1(4) . .
O7 Dy2 N8 73.8(4) . .
O7 Dy2 O8 61.8(4) . .
O8 Dy2 Dy3 91.9(3) . .
O8 Dy2 Dy1 81.1(3) . .
O13 Dy2 Dy3 95.9(3) . .
O13 Dy2 Dy1 76.1(3) . .
O13 Dy2 N7 69.7(5) . .
O13 Dy2 N8 68.6(5) . .
O13 Dy2 O7 128.8(4) . .
O13 Dy2 O8 141.5(4) . .
O18 Dy2 Dy3 99.4(4) . .
O18 Dy2 Dy1 100.8(4) . .
O18 Dy2 N7 75.7(5) . .
O18 Dy2 N8 146.8(5) . .
O18 Dy2 O3 125.0(5) . .
O18 Dy2 O7 75.4(4) . .
O18 Dy2 O8 71.2(5) . .
O18 Dy2 O13 143.3(5) . .
N6 Dy1 Dy2 100.0(4) . .
N6 Dy1 N10 97.8(7) . .
N6 Dy1 O6 156.3(5) . .
N6 Dy1 O10 118.2(5) . .
N10 Dy1 Dy2 97.4(5) . .
O3 Dy1 Dy2 34.5(3) . .
O3 Dy1 N6 65.4(5) . .
O3 Dy1 N10 102.4(6) . .
O3 Dy1 O4 68.8(4) . .
O3 Dy1 O6 129.8(4) . .
O3 Dy1 O10 122.0(5) . .
O3 Dy1 O11 78.0(6) . .
O4 Dy1 Dy2 34.4(3) . .
O4 Dy1 N6 133.7(5) . .
O4 Dy1 N10 85.4(6) . .
O4 Dy1 O6 66.7(4) . .
O4 Dy1 O10 81.1(5) . .
O4 Dy1 O11 90.0(6) . .
O6 Dy1 Dy2 97.4(3) . .
O6 Dy1 N10 95.9(6) . .
O6 Dy1 O10 71.9(5) . .
O9 Dy1 Dy2 171.6(4) . .
O9 Dy1 N6 73.2(5) . .
O9 Dy1 N10 88.5(7) . .
O9 Dy1 O3 138.2(4) . .
O9 Dy1 O4 153.0(5) . .
O9 Dy1 O6 88.0(5) . .
O9 Dy1 O10 82.5(5) . .
O9 Dy1 O11 97.0(6) . .
O9 Dy1 O14 89.2(6) . .
O10 Dy1 Dy2 105.4(3) . .
O10 Dy1 N10 24.6(5) . .
O11 Dy1 Dy2 85.6(5) . .
O11 Dy1 N6 74.5(6) . .
O11 Dy1 N10 28.5(6) . .
O11 Dy1 O6 123.1(6) . .
O11 Dy1 O10 53.0(6) . .
O14 Dy1 Dy2 85.6(4) . .
O14 Dy1 N6 87.7(6) . .
O14 Dy1 N10 173.1(7) . .
O14 Dy1 O3 83.6(5) . .
O14 Dy1 O4 93.8(5) . .
O14 Dy1 O6 77.6(5) . .
O14 Dy1 O10 148.6(5) . .
O14 Dy1 O11 158.4(6) . .
C1 N1 Dy3 119.4(11) . .
N1 N1 C1 120.8(9) 16_455 .
N1 N1 Dy3 118.8(4) 16_455 .
C5 N2 Dy3 120.6(11) . .
N8 N2 C5 121.0(14) . .
N8 N2 Dy3 117.4(11) . .
C9 N3 Dy3 129.1(13) . .
C9 N3 N4 112.3(15) . .
N4 N3 Dy3 118.5(10) . .
C10 N4 N3 108.8(14) 16_455 .
C6 N5 N6 108.9(15) . .
C17 N6 Dy1 131.4(14) . .
C17 N6 N5 111.7(16) . .
N5 N6 Dy1 116.8(11) . .
C27 N7 Dy2 130.2(13) . .
C27 N7 N9 111.8(15) . .
N9 N7 Dy2 118.0(10) . .
C8 N8 Dy2 119.7(11) . .
C8 N8 N2 120.3(14) . .
N2 N8 Dy2 118.1(10) . .
C2 N9 N7 108.9(14) . .
O10 N10 Dy1 59.4(13) . .
O10 N10 O11 117(2) . .
O10 N10 O12 128(3) . .
O11 N10 Dy1 57.4(12) . .
O12 N10 Dy1 173(2) . .
O12 N10 O11 115(3) . .
C32 N11 C33 120(2) . .
C32 N11 C36 124(2) . .
C36 N11 C33 115(2) . .
C2 O1 Dy3 124.6(10) . .
C2 O1 Dy2 121.9(10) . .
Dy2 O1 Dy3 111.2(4) . .
C10 O2 Dy3 122.7(10) . 16_455
C10 O2 Dy3 126.3(11) . .
Dy3 O2 Dy3 110.4(5) 16_455 .
C6 O3 Dy2 128.1(11) . .
C6 O3 Dy1 118.0(10) . .
Dy1 O3 Dy2 111.9(5) . .
C21 O4 Dy2 132.2(11) . .
C21 O4 Dy1 116.9(11) . .
Dy2 O4 Dy1 110.9(4) . .
C26 O5 C30 115.9(17) . .
C25 O6 C31 118.0(15) . .
C25 O6 Dy1 113.9(11) . .
C31 O6 Dy1 124.3(12) . .
C14 O7 Dy3 130.9(10) . .
C14 O7 Dy2 121.5(10) . .
Dy3 O7 Dy2 107.6(4) . .
C13 O8 C22 111.5(13) . .
C13 O8 Dy2 111.7(10) . .
C22 O8 Dy2 124.2(11) . .
C11 O9 Dy1 145.0(13) . .
N10 O10 Dy1 96.1(15) . .
N10 O11 Dy1 94.1(15) . .
C32 O14 Dy1 162.7(14) . .
N12 O15 Dy3 142.1(19) . .
O15 N12 O16 124(3) . .
O15 N12 O17 119(3) . .
O16 N12 O17 117(3) . .
N13 C37 O18 111(4) . .
C37 O18 Dy2 124(2) . .
C37 N13 C38 141(4) . .
C37 N13 C39 129(3) . .
C38 N13 C39 90(3) . .
O20 N14 O19 118.4(19) . .
O20 N14 O21 128(2) . .
O21 N14 O19 113.4(18) . .
N14 O20 Dy3 162.0(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.50(2) .
C1 C7 1.39(2) .
C1 N1 1.34(2) .
C2 N9 1.28(2) .
C2 O1 1.32(2) .
C3 C4 1.34(3) .
C3 C5 1.38(2) .
C4 C8 1.39(2) .
C5 C10 1.47(2) .
C5 N2 1.32(2) .
C6 C8 1.50(2) .
C6 N5 1.26(2) .
C6 O3 1.31(2) .
C7 C7 1.37(4) 16_455
C8 N8 1.32(2) .
C9 C15 1.43(3) .
C9 N3 1.30(2) .
C10 N4 1.31(2) 16_455
C10 O2 1.30(2) .
C11 C20 1.42(3) .
C11 C26 1.43(3) .
C11 O9 1.27(2) .
C12 C13 1.38(2) .
C12 C19 1.38(3) .
C13 C14 1.35(2) .
C13 O8 1.43(2) .
C14 C15 1.37(3) .
C14 O7 1.40(2) .
C15 C16 1.40(3) .
C16 C19 1.39(3) .
C17 C20 1.42(3) .
C17 N6 1.31(2) .
C18 C20 1.39(3) .
C18 C28 1.33(3) .
C21 C24 1.40(3) .
C21 C25 1.40(3) .
C21 O4 1.33(2) .
C22 O8 1.46(2) .
C23 C26 1.35(3) .
C23 C28 1.34(3) .
C24 C27 1.42(3) .
C24 C29 1.42(3) .
C25 C34 1.38(3) .
C25 O6 1.38(2) .
C26 O5 1.37(2) .
C27 N7 1.26(2) .
C29 C35 1.33(3) .
C30 O5 1.44(3) .
C31 O6 1.41(2) .
C32 N11 1.34(3) .
C32 O14 1.28(3) .
C33 N11 1.49(3) .
C34 C35 1.40(3) .
C36 N11 1.43(3) .
Dy3 Dy3 3.8210(16) 16_455
Dy3 Dy2 3.8229(12) .
Dy3 N1 2.523(13) .
Dy3 N2 2.535(14) .
Dy3 N3 2.445(14) .
Dy3 O1 2.350(11) .
Dy3 O2 2.269(11) 16_455
Dy3 O2 2.384(11) .
Dy3 O7 2.233(12) .
Dy3 O15 2.453(18) .
Dy3 O20 2.42(2) .
Dy2 Dy1 3.8337(13) .
Dy2 N7 2.504(15) .
Dy2 N8 2.566(13) .
Dy2 O1 2.284(11) .
Dy2 O3 2.343(11) .
Dy2 O4 2.320(12) .
Dy2 O7 2.502(11) .
Dy2 O8 2.633(13) .
Dy2 O13 2.470(13) .
Dy2 O18 2.325(15) .
Dy1 N6 2.436(16) .
Dy1 N10 2.85(2) .
Dy1 O3 2.284(12) .
Dy1 O4 2.336(12) .
Dy1 O6 2.438(12) .
Dy1 O9 2.139(14) .
Dy1 O10 2.468(15) .
Dy1 O11 2.409(19) .
Dy1 O14 2.202(17) .
N1 N1 1.27(3) 16_455
N2 N8 1.317(19) .
N3 N4 1.44(2) .
N5 N6 1.44(2) .
N7 N9 1.44(2) .
N10 O10 1.19(3) .
N10 O11 1.36(3) .
N10 O12 1.239(10) .
O15 N12 1.21(3) .
N12 O16 1.30(3) .
N12 O17 1.32(3) .
C37 O18 1.30(4) .
C37 N13 1.29(4) .
N13 C38 1.53(3) .
N13 C39 1.54(3) .
N14 O19 1.337(14) .
N14 O20 1.326(14) .
N14 O21 1.336(14) .
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
C1 C2 N9 N7 178.4(15) . .
C1 C2 O1 Dy3 -25.5(19) . .
C1 C2 O1 Dy2 173.4(10) . .
C2 C1 C7 C7 179(2) . 16_455
C2 C1 N1 Dy3 13.1(19) . .
C2 C1 N1 N1 -178.1(18) . 16_455
C3 C4 C8 C6 -173.3(17) . .
C3 C4 C8 N8 6(3) . .
C3 C5 C10 N4 8(3) . 16_455
C3 C5 C10 O2 -174.9(16) . .
C3 C5 N2 Dy3 -171.2(12) . .
C3 C5 N2 N8 -3(3) . .
C4 C3 C5 C10 176.2(17) . .
C4 C3 C5 N2 5(3) . .
C4 C8 N8 Dy2 -167.4(13) . .
C4 C8 N8 N2 -3(3) . .
C5 C3 C4 C8 -7(3) . .
C5 C10 O2 Dy3 176.1(10) . 16_455
C5 C10 O2 Dy3 -13.2(19) . .
C5 N2 N8 C8 2(2) . .
C5 N2 N8 Dy2 165.9(12) . .
C6 C8 N8 Dy2 12(2) . .
C6 C8 N8 N2 176.1(15) . .
C6 N5 N6 C17 170.8(17) . .
C6 N5 N6 Dy1 -11.9(18) . .
C7 C1 C2 N9 10(3) . .
C7 C1 C2 O1 -173.9(18) . .
C7 C1 N1 Dy3 -166.9(15) . .
C7 C1 N1 N1 2(3) . 16_455
C8 C6 N5 N6 175.6(15) . .
C8 C6 O3 Dy2 0(2) . .
C8 C6 O3 Dy1 -162.7(11) . .
C9 C15 C16 C19 176.5(19) . .
C9 N3 N4 C10 -176.1(15) . 16_455
C10 C5 N2 Dy3 16.8(19) . .
C10 C5 N2 N8 -174.7(15) . .
C11 C26 O5 C30 -179(2) . .
C12 C13 C14 C15 -4(3) . .
C12 C13 C14 O7 176.7(16) . .
C12 C13 O8 C22 63(2) . .
C12 C13 O8 Dy2 -153.7(13) . .
C13 C12 C19 C16 5(3) . .
C13 C14 C15 C9 -171.4(19) . .
C13 C14 C15 C16 4(3) . .
C13 C14 O7 Dy3 153.2(11) . .
C13 C14 O7 Dy2 -23.6(18) . .
C14 C13 O8 C22 -115.4(18) . .
C14 C13 O8 Dy2 28.3(18) . .
C14 C15 C16 C19 0(3) . .
C15 C9 N3 Dy3 -7(3) . .
C15 C9 N3 N4 175.2(17) . .
C15 C14 O7 Dy3 -26(2) . .
C15 C14 O7 Dy2 157.3(15) . .
C15 C16 C19 C12 -5(3) . .
C19 C12 C13 C14 0(3) . .
C19 C12 C13 O8 -178.4(16) . .
C20 C11 C26 C23 1(3) . .
C20 C11 C26 O5 -179.8(18) . .
C20 C11 O9 Dy1 5(4) . .
C20 C17 N6 Dy1 -1(3) . .
C20 C17 N6 N5 175.8(16) . .
C20 C18 C28 C23 5(4) . .
C21 C24 C27 N7 19(4) . .
C21 C24 C29 C35 1(4) . .
C21 C25 C34 C35 -1(3) . .
C21 C25 O6 C31 179(2) . .
C21 C25 O6 Dy1 20(2) . .
C23 C26 O5 C30 0(4) . .
C24 C21 C25 C34 2(3) . .
C24 C21 C25 O6 -175.6(18) . .
C24 C21 O4 Dy2 -32(3) . .
C24 C21 O4 Dy1 152.1(16) . .
C24 C27 N7 Dy2 -1(3) . .
C24 C27 N7 N9 -178(2) . .
C24 C29 C35 C34 0(4) . .
C25 C21 C24 C27 174(2) . .
C25 C21 C24 C29 -2(3) . .
C25 C21 O4 Dy2 150.3(14) . .
C25 C21 O4 Dy1 -26(2) . .
C25 C34 C35 C29 0(3) . .
C26 C11 C20 C17 -179.3(19) . .
C26 C11 C20 C18 -2(3) . .
C26 C11 O9 Dy1 -173.5(18) . .
C26 C23 C28 C18 -6(4) . .
C27 C24 C29 C35 -176(2) . .
C27 N7 N9 C2 -177.1(18) . .
C28 C18 C20 C11 -1(4) . .
C28 C18 C20 C17 176(2) . .
C28 C23 C26 C11 3(4) . .
C28 C23 C26 O5 -176(3) . .
C29 C24 C27 N7 -164(2) . .
C34 C25 O6 C31 1(3) . .
C34 C25 O6 Dy1 -157.6(16) . .
Dy3 N2 N8 C8 170.6(13) . .
Dy3 N2 N8 Dy2 -25.2(15) . .
Dy3 N3 N4 C10 5.6(17) . 16_455
Dy3 O15 N12 O16 -4(6) . .
Dy3 O15 N12 O17 170(2) . .
Dy2 N7 N9 C2 5(2) . .
N1 C1 C2 N9 -169.9(18) . .
N1 C1 C2 O1 6(2) . .
N1 C1 C7 C7 -1(4) . 16_455
N2 C5 C10 N4 179.6(15) . 16_455
N2 C5 C10 O2 -3(2) . .
N3 C9 C15 C14 9(3) . .
N3 C9 C15 C16 -166.8(19) . .
N4 C10 O2 Dy3 163.7(13) 16_455 .
N4 C10 O2 Dy3 -7(2) 16_455 16_455
N5 C6 C8 C4 -5(3) . .
N5 C6 C8 N8 175.5(16) . .
N5 C6 O3 Dy2 175.7(14) . .
N5 C6 O3 Dy1 13(3) . .
N6 C17 C20 C11 -3(3) . .
N6 C17 C20 C18 179.7(19) . .
N9 C2 O1 Dy3 150.2(16) . .
N9 C2 O1 Dy2 -11(3) . .
N11 C32 O14 Dy1 101(5) . .
O1 C2 N9 N7 3(3) . .
O3 C6 C8 C4 171.4(17) . .
O3 C6 C8 N8 -8(2) . .
O3 C6 N5 N6 0(3) . .
O4 C21 C24 C27 -3(3) . .
O4 C21 C24 C29 179.8(19) . .
O4 C21 C25 C34 -179.6(18) . .
O4 C21 C25 O6 2(3) . .
O6 C25 C34 C35 176.7(18) . .
O7 C14 C15 C9 8(3) . .
O7 C14 C15 C16 -176.9(17) . .
O8 C13 C14 C15 173.7(16) . .
O8 C13 C14 O7 -5(2) . .
O9 C11 C20 C17 2(3) . .
O9 C11 C20 C18 179(2) . .
O9 C11 C26 C23 -180(2) . .
O9 C11 C26 O5 -1(3) . .
O10 N10 O11 Dy1 -3(2) . .
O11 N10 O10 Dy1 3(2) . .
O12 N10 O10 Dy1 178(3) . .
O12 N10 O11 Dy1 -179(2) . .
O14 C32 N11 C33 4(3) . .
O14 C32 N11 C36 -175(2) . .
O18 C37 N13 C38 177(3) . .
O18 C37 N13 C39 0(3) . .
N13 C37 O18 Dy2 -147.0(16) . .
O19 N14 O20 Dy3 -110(5) . .
O21 N14 O20 Dy3 69(6) . .
