#------------------------------------------------------------------------------
#$Date: 2024-10-02 00:54:30 +0200 (Wed 02 de Oct de 2024) $
#$Revision: 294974 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/71/7717130.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_7717130
loop_
_publ_author_name
'Ruan, Ting-Ting'
'Moreno-Pineda, Eufemio'
'Paul, Sagar'
'Schulze, Michael'
'Schlittenhardt, Sören'
'Mizuno, Asato'
'Wernsdorfer, Wolfgang'
'Ruben, Mario'
_publ_section_title
;
 Modulating Quantum Tunnelling of Magnetization in Dy isotopologue Dimers
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D4DT01769B
_journal_year                    2024
_chemical_formula_moiety         'C64 H42 Dy2 F12 N8 O10'
_chemical_formula_sum            'C64 H42 Dy2 F12 N8 O10'
_chemical_formula_weight         1636.05
_chemical_name_systematic        TR-433-2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc2jgg4m
_audit_creation_date             2024-03-04
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2024-03-04 deposited with the CCDC.	2024-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                92.970(3)
_cell_angle_beta                 100.359(3)
_cell_angle_gamma                116.822(4)
_cell_formula_units_Z            2
_cell_length_a                   13.5218(5)
_cell_length_b                   13.9480(7)
_cell_length_c                   18.7575(7)
_cell_measurement_reflns_used    15299
_cell_measurement_temperature    160
_cell_measurement_theta_max      27.0530
_cell_measurement_theta_min      2.1640
_cell_volume                     3069.8(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      160
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -90.00  90.00   1.00  600.60    --    0.00 180.00 306.00  180
  2  ω    -90.00 -30.00   1.00  600.60    --    0.00 180.00 116.00   60
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type
'esperanto-CrysAlisPro-abstract goniometer imported esperanto images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0503147000
_diffrn_orient_matrix_UB_12      0.0181114000
_diffrn_orient_matrix_UB_13      0.0278580000
_diffrn_orient_matrix_UB_21      0.0332315000
_diffrn_orient_matrix_UB_22      0.0170839000
_diffrn_orient_matrix_UB_23      -0.0265610000
_diffrn_orient_matrix_UB_31      0.0029328000
_diffrn_orient_matrix_UB_32      0.0519948000
_diffrn_orient_matrix_UB_33      0.0055534000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.072
_diffrn_reflns_av_unetI/netI     0.0823
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_number            13532
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         1.835
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.519
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_description       block
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.084
_exptl_crystal_size_mid          0.059
_exptl_crystal_size_min          0.058
_refine_diff_density_max         0.705
_refine_diff_density_min         -1.298
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         13532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0433
_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)+(0.0416P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10062
_reflns_number_total             13532
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01769b2.cif
_cod_data_source_block           tr-433-2
_cod_original_cell_volume        3069.8(2)
_cod_database_code               7717130
_shelx_shelxl_version_number     2019/2
_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
2.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C2(H2), C6(H6), C16(H16), C19(H19), C1(H1), C4(H4), C3(H3),
 C37(H37), C57(H57), C21(H21), C50(H50), C24(H24), C14(H14), C44(H44), C15(H15),
  C12(H12), C40(H40), C54(H54), C47(H47), C64(H64), C11(H11), C63(H63),
 C62(H62), C60(H60), C51(H51), C30(H30), C9(H9), C53(H53), C22(H22), C10(H10),
 C23(H23), C52(H52), C34(H34), C61(H61), C27(H27), C41(H41), C42(H42), C43(H43),
  C32(H32), C31(H31), C33(H33)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.116
_oxdiff_exptl_absorpt_empirical_full_min 0.904
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.68294(2) 0.61289(2) 0.23160(2) 0.01902(7) Uani 1 1 d . . . . .
Dy2 Dy 0.36897(2) 0.55641(2) 0.25498(2) 0.01967(7) Uani 1 1 d . . . . .
O4 O 0.7056(3) 0.7909(3) 0.21804(18) 0.0238(8) Uani 1 1 d . . . . .
O9 O 0.2324(3) 0.4182(3) 0.15972(18) 0.0273(8) Uani 1 1 d . . . . .
F3 F 1.1045(3) 0.8595(3) 0.2237(2) 0.0526(10) Uani 1 1 d . . . . .
F11 F 0.1419(3) 0.2749(3) 0.02226(17) 0.0471(9) Uani 1 1 d . . . . .
O6 O 0.5558(3) 0.4282(3) 0.19189(18) 0.0221(7) Uani 1 1 d . . . . .
F2 F 1.0114(3) 0.7339(3) 0.1313(2) 0.0521(10) Uani 1 1 d . . . . .
O7 O 0.2410(3) 0.6200(3) 0.27878(18) 0.0249(8) Uani 1 1 d . . . . .
O1 O 0.4959(3) 0.5974(3) 0.17681(17) 0.0229(7) Uani 1 1 d . . . . .
O5 O 0.7409(3) 0.5172(3) 0.31214(18) 0.0270(8) Uani 1 1 d . . . . .
O2 O 0.5670(3) 0.6056(3) 0.31257(17) 0.0202(7) Uani 1 1 d . . . . .
F10 F 0.0216(3) 0.2968(3) 0.0727(2) 0.0584(11) Uani 1 1 d . . . . .
O3 O 0.8698(3) 0.7265(3) 0.21984(18) 0.0265(8) Uani 1 1 d . . . . .
F6 F 0.7190(3) 0.3832(3) 0.43763(18) 0.0556(11) Uani 1 1 d . . . . .
N5 N 0.7886(4) 0.7305(3) 0.3601(2) 0.0236(9) Uani 1 1 d . . . . .
O10 O 0.3739(3) 0.3933(3) 0.27660(19) 0.0251(8) Uani 1 1 d . . . . .
O8 O 0.4715(3) 0.7453(3) 0.29929(18) 0.0247(8) Uani 1 1 d . . . . .
F1 F 1.0515(3) 0.8979(3) 0.1189(2) 0.0611(12) Uani 1 1 d . . . . .
F5 F 0.8768(3) 0.4717(3) 0.4053(2) 0.0549(10) Uani 1 1 d . . . . .
F12 F 0.0376(3) 0.1513(3) 0.07701(19) 0.0505(10) Uani 1 1 d . . . . .
N2 N 0.6302(4) 0.6041(3) 0.0960(2) 0.0225(9) Uani 1 1 d . . . . .
F8 F 0.1496(3) 0.7724(3) 0.3765(2) 0.0593(11) Uani 1 1 d . . . . .
F4 F 0.7757(3) 0.3008(3) 0.3685(2) 0.0544(10) Uani 1 1 d . . . . .
N1 N 0.7694(4) 0.5234(3) 0.1487(2) 0.0240(9) Uani 1 1 d . . . . .
N3 N 0.5518(4) 0.6403(3) 0.0682(2) 0.0260(10) Uani 1 1 d . . . . .
N6 N 0.5366(4) 0.6229(3) 0.4290(2) 0.0249(9) Uani 1 1 d . . . . .
N4 N 0.3344(4) 0.6551(3) 0.1436(2) 0.0236(9) Uani 1 1 d . . . . .
F7 F 0.0583(3) 0.6443(4) 0.2890(2) 0.0803(15) Uani 1 1 d . . . . .
F9 F 0.1200(4) 0.6135(4) 0.3926(3) 0.0913(18) Uani 1 1 d . . . . .
N8 N 0.2037(4) 0.4325(3) 0.3233(2) 0.0267(10) Uani 1 1 d . . . . .
N7 N 0.4222(4) 0.5633(3) 0.3921(2) 0.0248(9) Uani 1 1 d . . . . .
C13 C 0.9012(5) 0.7980(4) 0.3812(3) 0.0311(12) Uani 1 1 d . . . . .
H13 H 0.946945 0.806425 0.346722 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7256(4) 0.7162(4) 0.4105(3) 0.0228(11) Uani 1 1 d . . . . .
C2 C 0.9041(5) 0.4612(5) 0.1328(3) 0.0352(13) Uani 1 1 d . . . . .
H2 H 0.957209 0.437742 0.153885 0.042 Uiso 1 1 calc R U . . .
C56 C 0.1893(4) 0.3157(4) 0.1514(3) 0.0249(11) Uani 1 1 d . . . . .
C6 C 0.6704(4) 0.5708(4) 0.0496(3) 0.0243(11) Uani 1 1 d . . . . .
H6 H 0.648087 0.571761 -0.001238 0.029 Uiso 1 1 calc R U . . .
C46 C 0.2546(4) 0.6984(4) 0.3234(3) 0.0237(11) Uani 1 1 d . . . . .
C7 C 0.4910(4) 0.6365(4) 0.1160(2) 0.0210(10) Uani 1 1 d . . . . .
C16 C 0.7718(5) 0.7684(4) 0.4823(3) 0.0291(12) Uani 1 1 d . . . . .
H16 H 0.725401 0.755522 0.516864 0.035 Uiso 1 1 calc R U . . .
C19 C 0.3536(5) 0.5122(4) 0.4320(3) 0.0293(12) Uani 1 1 d . . . . .
H19 H 0.380444 0.516835 0.483130 0.035 Uiso 1 1 calc R U . . .
C1 C 0.8453(5) 0.4894(4) 0.1752(3) 0.0291(12) Uani 1 1 d . . . . .
H1 H 0.859126 0.484581 0.226072 0.035 Uiso 1 1 calc R U . . .
C45 C 0.1452(5) 0.6818(5) 0.3449(3) 0.0332(13) Uani 1 1 d . . . . .
C4 C 0.8065(5) 0.5031(4) 0.0300(3) 0.0317(12) Uani 1 1 d . . . . .
H4 H 0.791179 0.508158 -0.020700 0.038 Uiso 1 1 calc R U . . .
C28 C 0.7680(5) 0.8696(4) 0.1900(3) 0.0268(11) Uani 1 1 d . . . . .
C36 C 0.7050(5) 0.4152(4) 0.3146(3) 0.0270(12) Uani 1 1 d . . . . .
C29 C 0.7348(5) 0.9572(4) 0.1790(3) 0.0267(11) Uani 1 1 d . . . . .
C5 C 0.7515(5) 0.5310(4) 0.0763(3) 0.0257(11) Uani 1 1 d . . . . .
C3 C 0.8839(5) 0.4679(5) 0.0584(3) 0.0362(14) Uani 1 1 d . . . . .
H3 H 0.922634 0.448624 0.027506 0.043 Uiso 1 1 calc R U . . .
C37 C 0.6192(5) 0.3287(4) 0.2682(3) 0.0266(11) Uani 1 1 d . . . . .
H37 H 0.607517 0.258095 0.276317 0.032 Uiso 1 1 calc R U . . .
C57 C 0.2126(4) 0.2510(4) 0.1972(3) 0.0285(12) Uani 1 1 d . . . . .
H57 H 0.167589 0.174378 0.185479 0.034 Uiso 1 1 calc R U . . .
C39 C 0.4530(4) 0.2388(4) 0.1587(3) 0.0264(11) Uani 1 1 d . . . . .
C21 C 0.1519(5) 0.4010(5) 0.4391(3) 0.0380(14) Uani 1 1 d . . . . .
H21 H 0.174536 0.411532 0.491094 0.046 Uiso 1 1 calc R U . . .
C50 C 0.6696(4) 0.9285(4) 0.3691(3) 0.0275(12) Uani 1 1 d . . . . .
H50 H 0.674312 0.871332 0.342610 0.033 Uiso 1 1 calc R U . . .
C24 C 0.0931(5) 0.3738(5) 0.2908(3) 0.0348(13) Uani 1 1 d . . . . .
H24 H 0.071705 0.364775 0.238841 0.042 Uiso 1 1 calc R U . . .
C18 C 0.6013(4) 0.6419(4) 0.3822(3) 0.0214(10) Uani 1 1 d . . . . .
C20 C 0.2325(5) 0.4464(4) 0.3970(3) 0.0273(12) Uani 1 1 d . . . . .
C26 C 0.9078(4) 0.8056(4) 0.1855(3) 0.0261(11) Uani 1 1 d . . . . .
C8 C 0.4080(4) 0.6801(4) 0.0991(3) 0.0247(11) Uani 1 1 d . . . . .
C14 C 0.9529(5) 0.8556(4) 0.4514(3) 0.0309(12) Uani 1 1 d . . . . .
H14 H 1.032024 0.905084 0.464098 0.037 Uiso 1 1 calc R U . . .
C25 C 1.0195(5) 0.8253(5) 0.1647(3) 0.0346(13) Uani 1 1 d . . . . .
C44 C 0.4096(5) 0.2473(4) 0.0873(3) 0.0320(13) Uani 1 1 d . . . . .
H44 H 0.439630 0.315997 0.070920 0.038 Uiso 1 1 calc R U . . .
C15 C 0.8872(5) 0.8397(4) 0.5024(3) 0.0348(13) Uani 1 1 d . . . . .
H15 H 0.920963 0.877523 0.551020 0.042 Uiso 1 1 calc R U . . .
C58 C 0.3019(4) 0.2949(4) 0.2616(3) 0.0251(11) Uani 1 1 d . . . . .
C38 C 0.5456(4) 0.3380(4) 0.2079(3) 0.0234(11) Uani 1 1 d . . . . .
C59 C 0.3141(5) 0.2228(4) 0.3158(3) 0.0243(11) Uani 1 1 d . . . . .
C49 C 0.5634(4) 0.9172(4) 0.3737(3) 0.0234(11) Uani 1 1 d . . . . .
C12 C 0.2572(5) 0.6929(4) 0.1310(3) 0.0281(12) Uani 1 1 d . . . . .
H12 H 0.201897 0.673729 0.159782 0.034 Uiso 1 1 calc R U . . .
C40 C 0.4060(5) 0.1373(4) 0.1818(3) 0.0306(12) Uani 1 1 d . . . . .
H40 H 0.434127 0.129562 0.230140 0.037 Uiso 1 1 calc R U . . .
C35 C 0.7702(5) 0.3933(5) 0.3813(3) 0.0357(13) Uani 1 1 d . . . . .
C48 C 0.4598(4) 0.8128(4) 0.3397(3) 0.0223(11) Uani 1 1 d . . . . .
C54 C 0.5591(5) 1.0045(4) 0.4104(3) 0.0293(12) Uani 1 1 d . . . . .
H54 H 0.487441 0.999798 0.412731 0.035 Uiso 1 1 calc R U . . .
C47 C 0.3528(5) 0.7915(4) 0.3550(3) 0.0285(12) Uani 1 1 d . . . . .
H47 H 0.349426 0.843254 0.388137 0.034 Uiso 1 1 calc R U . . .
C64 C 0.4120(5) 0.2649(5) 0.3723(3) 0.0311(12) Uani 1 1 d . . . . .
H64 H 0.469742 0.337631 0.375730 0.037 Uiso 1 1 calc R U . . .
C11 C 0.2551(5) 0.7574(5) 0.0786(3) 0.0352(14) Uani 1 1 d . . . . .
H11 H 0.200262 0.782998 0.072128 0.042 Uiso 1 1 calc R U . . .
C63 C 0.4250(5) 0.2010(5) 0.4233(3) 0.0395(15) Uani 1 1 d . . . . .
H63 H 0.492611 0.229318 0.460911 0.047 Uiso 1 1 calc R U . . .
C62 C 0.3404(6) 0.0963(5) 0.4200(3) 0.0423(16) Uani 1 1 d . . . . .
H62 H 0.349549 0.053378 0.455731 0.051 Uiso 1 1 calc R U . . .
C60 C 0.2286(5) 0.1164(4) 0.3127(3) 0.0345(13) Uani 1 1 d . . . . .
H60 H 0.160997 0.086950 0.275041 0.041 Uiso 1 1 calc R U . . .
C51 C 0.7681(5) 1.0213(5) 0.4022(3) 0.0335(13) Uani 1 1 d . . . . .
H51 H 0.839963 1.028085 0.398398 0.040 Uiso 1 1 calc R U . . .
C30 C 0.8066(5) 1.0571(4) 0.1600(3) 0.0411(15) Uani 1 1 d . . . . .
H30 H 0.879873 1.071249 0.153640 0.049 Uiso 1 1 calc R U . . .
C9 C 0.4114(5) 0.7440(5) 0.0452(3) 0.0334(13) Uani 1 1 d . . . . .
H9 H 0.465208 0.759803 0.015501 0.040 Uiso 1 1 calc R U . . .
C55 C 0.0978(5) 0.2591(5) 0.0816(3) 0.0335(13) Uani 1 1 d . . . . .
C53 C 0.6573(5) 1.0971(4) 0.4433(3) 0.0359(14) Uani 1 1 d . . . . .
H53 H 0.653270 1.156256 0.467633 0.043 Uiso 1 1 calc R U . . .
C22 C 0.0391(6) 0.3406(6) 0.4038(4) 0.0501(18) Uani 1 1 d . . . . .
H22 H -0.017198 0.309247 0.431345 0.060 Uiso 1 1 calc R U . . .
C10 C 0.3337(5) 0.7849(5) 0.0354(3) 0.0369(14) Uani 1 1 d . . . . .
H10 H 0.334817 0.830865 -0.000466 0.044 Uiso 1 1 calc R U . . .
C23 C 0.0083(5) 0.3257(5) 0.3285(4) 0.0431(15) Uani 1 1 d . . . . .
H23 H -0.069041 0.283663 0.303105 0.052 Uiso 1 1 calc R U . . .
C52 C 0.7619(5) 1.1042(5) 0.4409(3) 0.0382(14) Uani 1 1 d . . . . .
H52 H 0.829747 1.166478 0.466079 0.046 Uiso 1 1 calc R U . . .
C34 C 0.6285(5) 0.9392(5) 0.1885(3) 0.0351(13) Uani 1 1 d . . . . .
H34 H 0.579358 0.872243 0.202022 0.042 Uiso 1 1 calc R U . . .
C61 C 0.2432(6) 0.0538(5) 0.3653(3) 0.0421(16) Uani 1 1 d . . . . .
H61 H 0.185515 -0.018517 0.363167 0.050 Uiso 1 1 calc R U . . .
C27 C 0.8652(5) 0.8760(4) 0.1680(3) 0.0332(13) Uani 1 1 d . . . . .
H27 H 0.902304 0.931030 0.140063 0.040 Uiso 1 1 calc R U . . .
C41 C 0.3192(5) 0.0486(5) 0.1350(3) 0.0377(14) Uani 1 1 d . . . . .
H41 H 0.286755 -0.019723 0.151757 0.045 Uiso 1 1 calc R U . . .
C42 C 0.2783(5) 0.0575(5) 0.0634(3) 0.0439(15) Uani 1 1 d . . . . .
H42 H 0.219542 -0.004638 0.031022 0.053 Uiso 1 1 calc R U . . .
C43 C 0.3238(5) 0.1574(5) 0.0401(3) 0.0431(15) Uani 1 1 d . . . . .
H43 H 0.296127 0.164402 -0.008617 0.052 Uiso 1 1 calc R U . . .
C32 C 0.6643(7) 1.1153(5) 0.1593(4) 0.0504(18) Uani 1 1 d . . . . .
H32 H 0.640103 1.169014 0.152257 0.060 Uiso 1 1 calc R U . . .
C31 C 0.7706(6) 1.1355(5) 0.1503(4) 0.0524(19) Uani 1 1 d . . . . .
H31 H 0.819291 1.203139 0.137360 0.063 Uiso 1 1 calc R U . . .
C33 C 0.5931(6) 1.0183(5) 0.1785(4) 0.0458(16) Uani 1 1 d . . . . .
H33 H 0.520147 1.005095 0.184938 0.055 Uiso 1 1 calc R 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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
O4 Dy1 O1 71.34(11) . . ?
O4 Dy1 N5 74.02(12) . . ?
O4 Dy1 N2 76.73(12) . . ?
O4 Dy1 N1 119.67(12) . . ?
O6 Dy1 O4 142.12(11) . . ?
O6 Dy1 O1 72.22(11) . . ?
O6 Dy1 O2 86.02(12) . . ?
O6 Dy1 O3 133.31(11) . . ?
O6 Dy1 N5 133.82(12) . . ?
O6 Dy1 N2 77.28(12) . . ?
O6 Dy1 N1 69.62(12) . . ?
O1 Dy1 N5 117.52(12) . . ?
O1 Dy1 N2 61.72(12) . . ?
O1 Dy1 N1 116.97(12) . . ?
O5 Dy1 O4 142.41(12) . . ?
O5 Dy1 O6 73.34(12) . . ?
O5 Dy1 O1 133.24(12) . . ?
O5 Dy1 O2 83.50(11) . . ?
O5 Dy1 O3 93.13(12) . . ?
O5 Dy1 N5 69.07(12) . . ?
O5 Dy1 N2 136.90(12) . . ?
O5 Dy1 N1 78.17(12) . . ?
O2 Dy1 O4 86.95(11) . . ?
O2 Dy1 O1 63.55(11) . . ?
O2 Dy1 O3 137.77(12) . . ?
O2 Dy1 N5 64.26(12) . . ?
O2 Dy1 N2 125.26(12) . . ?
O2 Dy1 N1 152.80(12) . . ?
O3 Dy1 O4 70.42(11) . . ?
O3 Dy1 O1 133.61(11) . . ?
O3 Dy1 N5 75.20(13) . . ?
O3 Dy1 N2 84.63(13) . . ?
O3 Dy1 N1 63.86(12) . . ?
N5 Dy1 N1 125.23(13) . . ?
N2 Dy1 N5 148.65(13) . . ?
N2 Dy1 N1 62.23(12) . . ?
O9 Dy2 O7 93.67(12) . . ?
O9 Dy2 O2 132.41(11) . . ?
O9 Dy2 O10 72.37(11) . . ?
O9 Dy2 O8 146.74(11) . . ?
O9 Dy2 N4 73.64(12) . . ?
O9 Dy2 N8 76.83(13) . . ?
O9 Dy2 N7 132.84(13) . . ?
O7 Dy2 O2 133.80(11) . . ?
O7 Dy2 O8 70.66(12) . . ?
O7 Dy2 N4 73.19(12) . . ?
O7 Dy2 N8 62.12(12) . . ?
O7 Dy2 N7 86.20(12) . . ?
O1 Dy2 O9 87.02(12) . . ?
O1 Dy2 O7 134.45(11) . . ?
O1 Dy2 O2 63.53(11) . . ?
O1 Dy2 O10 93.40(11) . . ?
O1 Dy2 O8 84.28(12) . . ?
O1 Dy2 N4 63.36(12) . . ?
O1 Dy2 N8 158.29(12) . . ?
O1 Dy2 N7 125.06(12) . . ?
O2 Dy2 N4 117.37(12) . . ?
O2 Dy2 N8 118.02(11) . . ?
O2 Dy2 N7 61.55(12) . . ?
O10 Dy2 O7 130.14(12) . . ?
O10 Dy2 O2 73.06(11) . . ?
O10 Dy2 O8 140.08(12) . . ?
O10 Dy2 N4 139.48(12) . . ?
O10 Dy2 N8 68.08(12) . . ?
O10 Dy2 N7 72.18(12) . . ?
O8 Dy2 O2 70.33(11) . . ?
O8 Dy2 N4 73.76(12) . . ?
O8 Dy2 N8 117.10(12) . . ?
O8 Dy2 N7 76.78(12) . . ?
N4 Dy2 N8 123.74(13) . . ?
N7 Dy2 N4 148.27(13) . . ?
N7 Dy2 N8 61.59(13) . . ?
C28 O4 Dy1 136.3(3) . . ?
C56 O9 Dy2 132.8(3) . . ?
C38 O6 Dy1 137.7(3) . . ?
C46 O7 Dy2 131.6(3) . . ?
Dy2 O1 Dy1 115.31(12) . . ?
C7 O1 Dy1 114.6(3) . . ?
C7 O1 Dy2 128.1(3) . . ?
C36 O5 Dy1 133.0(3) . . ?
Dy1 O2 Dy2 115.65(12) . . ?
C18 O2 Dy1 126.2(3) . . ?
C18 O2 Dy2 117.1(3) . . ?
C26 O3 Dy1 130.9(3) . . ?
C13 N5 Dy1 125.4(4) . . ?
C13 N5 C17 117.9(4) . . ?
C17 N5 Dy1 116.5(3) . . ?
C58 O10 Dy2 134.1(3) . . ?
C48 O8 Dy2 136.9(3) . . ?
N3 N2 Dy1 117.8(3) . . ?
C6 N2 Dy1 125.2(3) . . ?
C6 N2 N3 116.9(4) . . ?
C1 N1 Dy1 124.3(3) . . ?
C1 N1 C5 117.5(4) . . ?
C5 N1 Dy1 117.1(3) . . ?
C7 N3 N2 109.4(4) . . ?
C18 N6 N7 109.7(4) . . ?
C8 N4 Dy2 116.8(3) . . ?
C8 N4 C12 116.4(4) . . ?
C12 N4 Dy2 126.4(3) . . ?
C24 N8 Dy2 124.9(4) . . ?
C24 N8 C20 117.5(5) . . ?
C20 N8 Dy2 116.6(3) . . ?
N6 N7 Dy2 119.1(3) . . ?
C19 N7 Dy2 125.6(4) . . ?
C19 N7 N6 115.2(4) . . ?
N5 C13 H13 118.7 . . ?
N5 C13 C14 122.6(5) . . ?
C14 C13 H13 118.7 . . ?
N5 C17 C16 122.8(5) . . ?
N5 C17 C18 114.5(4) . . ?
C16 C17 C18 122.7(5) . . ?
C1 C2 H2 120.8 . . ?
C1 C2 C3 118.4(5) . . ?
C3 C2 H2 120.8 . . ?
O9 C56 C57 128.9(5) . . ?
O9 C56 C55 113.8(4) . . ?
C57 C56 C55 117.3(5) . . ?
N2 C6 H6 120.7 . . ?
N2 C6 C5 118.7(4) . . ?
C5 C6 H6 120.7 . . ?
O7 C46 C45 113.1(5) . . ?
O7 C46 C47 128.8(5) . . ?
C47 C46 C45 118.0(5) . . ?
O1 C7 N3 125.5(4) . . ?
O1 C7 C8 116.8(4) . . ?
N3 C7 C8 117.7(4) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 C17 118.3(5) . . ?
C15 C16 H16 120.8 . . ?
N7 C19 H19 120.8 . . ?
N7 C19 C20 118.4(5) . . ?
C20 C19 H19 120.8 . . ?
N1 C1 C2 123.6(5) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
F8 C45 C46 114.3(5) . . ?
F7 C45 F8 104.8(5) . . ?
F7 C45 F9 108.0(6) . . ?
F7 C45 C46 112.8(5) . . ?
F9 C45 F8 105.7(5) . . ?
F9 C45 C46 110.7(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.3(5) . . ?
O4 C28 C29 117.5(5) . . ?
O4 C28 C27 122.4(4) . . ?
C27 C28 C29 120.1(5) . . ?
O5 C36 C37 129.4(5) . . ?
O5 C36 C35 112.8(5) . . ?
C37 C36 C35 117.8(5) . . ?
C30 C29 C28 122.8(5) . . ?
C34 C29 C28 118.5(5) . . ?
C34 C29 C30 118.7(5) . . ?
N1 C5 C6 115.9(4) . . ?
N1 C5 C4 122.3(5) . . ?
C4 C5 C6 121.8(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 118.9(5) . . ?
C4 C3 H3 120.5 . . ?
C36 C37 H37 118.3 . . ?
C36 C37 C38 123.3(5) . . ?
C38 C37 H37 118.3 . . ?
C56 C57 H57 118.9 . . ?
C56 C57 C58 122.3(5) . . ?
C58 C57 H57 118.9 . . ?
C44 C39 C38 119.3(5) . . ?
C40 C39 C44 118.3(5) . . ?
C40 C39 C38 122.4(5) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C22 C21 C20 118.7(6) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 H50 119.5 . . ?
C51 C50 C49 121.1(5) . . ?
N8 C24 H24 118.1 . . ?
N8 C24 C23 123.8(6) . . ?
C23 C24 H24 118.1 . . ?
O2 C18 N6 125.9(5) . . ?
O2 C18 C17 116.8(4) . . ?
N6 C18 C17 117.2(4) . . ?
N8 C20 C19 117.0(5) . . ?
N8 C20 C21 122.3(5) . . ?
C21 C20 C19 120.8(5) . . ?
O3 C26 C25 113.1(4) . . ?
O3 C26 C27 128.6(5) . . ?
C27 C26 C25 118.2(5) . . ?
N4 C8 C7 113.9(4) . . ?
N4 C8 C9 123.9(5) . . ?
C9 C8 C7 122.1(5) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(5) . . ?
C15 C14 H14 120.7 . . ?
F3 C25 F2 106.4(5) . . ?
F3 C25 F1 107.5(5) . . ?
F3 C25 C26 111.4(5) . . ?
F2 C25 C26 111.6(5) . . ?
F1 C25 F2 106.0(5) . . ?
F1 C25 C26 113.6(4) . . ?
C39 C44 H44 119.4 . . ?
C43 C44 C39 121.1(5) . . ?
C43 C44 H44 119.4 . . ?
C16 C15 H15 120.2 . . ?
C14 C15 C16 119.7(5) . . ?
C14 C15 H15 120.2 . . ?
O10 C58 C57 123.1(5) . . ?
O10 C58 C59 116.4(5) . . ?
C57 C58 C59 120.5(5) . . ?
O6 C38 C37 122.9(5) . . ?
O6 C38 C39 116.7(4) . . ?
C37 C38 C39 120.3(4) . . ?
C64 C59 C58 118.8(5) . . ?
C64 C59 C60 119.2(5) . . ?
C60 C59 C58 122.0(5) . . ?
C50 C49 C48 118.8(5) . . ?
C50 C49 C54 118.0(5) . . ?
C54 C49 C48 123.1(5) . . ?
N4 C12 H12 118.4 . . ?
N4 C12 C11 123.2(5) . . ?
C11 C12 H12 118.4 . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.4(5) . . ?
C41 C40 H40 119.8 . . ?
F6 C35 C36 110.9(5) . . ?
F5 C35 F6 106.8(5) . . ?
F5 C35 F4 106.6(5) . . ?
F5 C35 C36 113.4(5) . . ?
F4 C35 F6 106.0(5) . . ?
F4 C35 C36 112.6(5) . . ?
O8 C48 C49 117.9(5) . . ?
O8 C48 C47 122.4(5) . . ?
C47 C48 C49 119.7(5) . . ?
C49 C54 H54 119.6 . . ?
C53 C54 C49 120.8(5) . . ?
C53 C54 H54 119.6 . . ?
C46 C47 C48 122.0(5) . . ?
C46 C47 H47 119.0 . . ?
C48 C47 H47 119.0 . . ?
C59 C64 H64 120.0 . . ?
C63 C64 C59 120.1(6) . . ?
C63 C64 H64 120.0 . . ?
C12 C11 H11 120.4 . . ?
C12 C11 C10 119.3(5) . . ?
C10 C11 H11 120.4 . . ?
C64 C63 H63 119.8 . . ?
C62 C63 C64 120.4(6) . . ?
C62 C63 H63 119.8 . . ?
C63 C62 H62 119.8 . . ?
C61 C62 C63 120.4(5) . . ?
C61 C62 H62 119.8 . . ?
C59 C60 H60 120.2 . . ?
C61 C60 C59 119.7(6) . . ?
C61 C60 H60 120.2 . . ?
C50 C51 H51 120.1 . . ?
C52 C51 C50 119.8(5) . . ?
C52 C51 H51 120.1 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(6) . . ?
C31 C30 H30 120.0 . . ?
C8 C9 H9 120.9 . . ?
C8 C9 C10 118.2(5) . . ?
C10 C9 H9 120.9 . . ?
F11 C55 F10 106.4(5) . . ?
F11 C55 F12 105.4(5) . . ?
F11 C55 C56 111.5(5) . . ?
F10 C55 C56 111.7(5) . . ?
F12 C55 F10 106.0(5) . . ?
F12 C55 C56 115.2(5) . . ?
C54 C53 H53 120.0 . . ?
C54 C53 C52 120.0(5) . . ?
C52 C53 H53 120.0 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(6) . . ?
C23 C22 H22 120.1 . . ?
C11 C10 C9 118.9(5) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C24 C23 H23 121.0 . . ?
C22 C23 C24 118.0(6) . . ?
C22 C23 H23 121.0 . . ?
C51 C52 C53 120.2(6) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C29 C34 H34 119.6 . . ?
C29 C34 C33 120.8(6) . . ?
C33 C34 H34 119.6 . . ?
C62 C61 C60 120.3(6) . . ?
C62 C61 H61 119.9 . . ?
C60 C61 H61 119.9 . . ?
C28 C27 H27 118.9 . . ?
C26 C27 C28 122.2(5) . . ?
C26 C27 H27 118.9 . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C42 120.8(5) . . ?
C42 C41 H41 119.6 . . ?
C41 C42 H42 120.3 . . ?
C43 C42 C41 119.3(6) . . ?
C43 C42 H42 120.3 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 C44 120.0(6) . . ?
C42 C43 H43 120.0 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C33 C32 C31 120.7(5) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(6) . . ?
C32 C31 H31 119.9 . . ?
C34 C33 H33 120.2 . . ?
C32 C33 C34 119.6(6) . . ?
C32 C33 H33 120.2 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.393(3) . ?
Dy1 O6 2.343(3) . ?
Dy1 O1 2.460(3) . ?
Dy1 O5 2.325(3) . ?
Dy1 O2 2.345(3) . ?
Dy1 O3 2.360(4) . ?
Dy1 N5 2.603(4) . ?
Dy1 N2 2.496(4) . ?
Dy1 N1 2.667(4) . ?
Dy2 O9 2.359(4) . ?
Dy2 O7 2.367(3) . ?
Dy2 O1 2.351(3) . ?
Dy2 O2 2.457(3) . ?
Dy2 O10 2.360(3) . ?
Dy2 O8 2.370(3) . ?
Dy2 N4 2.647(4) . ?
Dy2 N8 2.720(4) . ?
Dy2 N7 2.527(4) . ?
O4 C28 1.256(6) . ?
O9 C56 1.265(6) . ?
F3 C25 1.328(6) . ?
F11 C55 1.337(6) . ?
O6 C38 1.261(6) . ?
F2 C25 1.341(7) . ?
O7 C46 1.265(6) . ?
O1 C7 1.293(5) . ?
O5 C36 1.286(6) . ?
O2 C18 1.296(6) . ?
F10 C55 1.343(6) . ?
O3 C26 1.256(6) . ?
F6 C35 1.343(7) . ?
N5 C13 1.346(7) . ?
N5 C17 1.349(6) . ?
O10 C58 1.251(6) . ?
O8 C48 1.260(6) . ?
F1 C25 1.334(6) . ?
F5 C35 1.330(7) . ?
F12 C55 1.337(6) . ?
N2 N3 1.401(5) . ?
N2 C6 1.273(6) . ?
F8 C45 1.340(6) . ?
F4 C35 1.339(7) . ?
N1 C1 1.343(6) . ?
N1 C5 1.355(6) . ?
N3 C7 1.309(6) . ?
N6 N7 1.400(6) . ?
N6 C18 1.303(6) . ?
N4 C8 1.351(6) . ?
N4 C12 1.359(6) . ?
F7 C45 1.304(7) . ?
F9 C45 1.315(7) . ?
N8 C24 1.339(7) . ?
N8 C20 1.346(6) . ?
N7 C19 1.280(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(7) . ?
C17 C16 1.385(7) . ?
C17 C18 1.493(7) . ?
C2 H2 0.9500 . ?
C2 C1 1.379(7) . ?
C2 C3 1.389(8) . ?
C56 C57 1.377(7) . ?
C56 C55 1.515(7) . ?
C6 H6 0.9500 . ?
C6 C5 1.464(7) . ?
C46 C45 1.522(7) . ?
C46 C47 1.371(7) . ?
C7 C8 1.495(6) . ?
C16 H16 0.9500 . ?
C16 C15 1.384(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.465(7) . ?
C1 H1 0.9500 . ?
C4 H4 0.9500 . ?
C4 C5 1.383(7) . ?
C4 C3 1.382(7) . ?
C28 C29 1.491(7) . ?
C28 C27 1.414(7) . ?
C36 C37 1.351(7) . ?
C36 C35 1.523(7) . ?
C29 C30 1.403(7) . ?
C29 C34 1.390(8) . ?
C3 H3 0.9500 . ?
C37 H37 0.9500 . ?
C37 C38 1.418(7) . ?
C57 H57 0.9500 . ?
C57 C58 1.422(7) . ?
C39 C44 1.396(7) . ?
C39 C38 1.491(7) . ?
C39 C40 1.395(7) . ?
C21 H21 0.9500 . ?
C21 C20 1.397(7) . ?
C21 C22 1.376(9) . ?
C50 H50 0.9500 . ?
C50 C49 1.392(7) . ?
C50 C51 1.378(8) . ?
C24 H24 0.9500 . ?
C24 C23 1.383(8) . ?
C26 C25 1.535(7) . ?
C26 C27 1.371(7) . ?
C8 C9 1.375(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.380(8) . ?
C44 H44 0.9500 . ?
C44 C43 1.380(8) . ?
C15 H15 0.9500 . ?
C58 C59 1.506(6) . ?
C59 C64 1.396(7) . ?
C59 C60 1.401(7) . ?
C49 C48 1.493(7) . ?
C49 C54 1.398(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.371(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.372(8) . ?
C48 C47 1.427(7) . ?
C54 H54 0.9500 . ?
C54 C53 1.373(8) . ?
C47 H47 0.9500 . ?
C64 H64 0.9500 . ?
C64 C63 1.383(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.382(8) . ?
C63 H63 0.9500 . ?
C63 C62 1.379(9) . ?
C62 H62 0.9500 . ?
C62 C61 1.371(9) . ?
C60 H60 0.9500 . ?
C60 C61 1.395(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.375(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.392(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.395(7) . ?
C53 H53 0.9500 . ?
C53 C52 1.382(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.376(9) . ?
C10 H10 0.9500 . ?
C23 H23 0.9500 . ?
C52 H52 0.9500 . ?
C34 H34 0.9500 . ?
C34 C33 1.395(7) . ?
C61 H61 0.9500 . ?
C27 H27 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.392(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.378(8) . ?
C43 H43 0.9500 . ?
C32 H32 0.9500 . ?
C32 C31 1.378(9) . ?
C32 C33 1.374(9) . ?
C31 H31 0.9500 . ?
C33 H33 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O4 C28 C29 166.2(3) . . . . ?
Dy1 O4 C28 C27 -12.7(8) . . . . ?
Dy1 O6 C38 C37 5.4(8) . . . . ?
Dy1 O6 C38 C39 -172.8(3) . . . . ?
Dy1 O1 C7 N3 29.8(6) . . . . ?
Dy1 O1 C7 C8 -150.8(3) . . . . ?
Dy1 O5 C36 C37 1.0(8) . . . . ?
Dy1 O5 C36 C35 -177.9(3) . . . . ?
Dy1 O2 C18 N6 -168.5(4) . . . . ?
Dy1 O2 C18 C17 14.5(6) . . . . ?
Dy1 O3 C26 C25 -155.3(3) . . . . ?
Dy1 O3 C26 C27 27.7(8) . . . . ?
Dy1 N5 C13 C14 -177.7(4) . . . . ?
Dy1 N5 C17 C16 176.1(4) . . . . ?
Dy1 N5 C17 C18 -5.6(5) . . . . ?
Dy1 N2 N3 C7 -22.3(5) . . . . ?
Dy1 N2 C6 C5 2.0(7) . . . . ?
Dy1 N1 C1 C2 -168.2(4) . . . . ?
Dy1 N1 C5 C6 -10.2(6) . . . . ?
Dy1 N1 C5 C4 169.7(4) . . . . ?
Dy2 O9 C56 C57 -1.8(9) . . . . ?
Dy2 O9 C56 C55 176.6(3) . . . . ?
Dy2 O7 C46 C45 -154.4(3) . . . . ?
Dy2 O7 C46 C47 23.6(8) . . . . ?
Dy2 O1 C7 N3 -167.4(4) . . . . ?
Dy2 O1 C7 C8 12.1(6) . . . . ?
Dy2 O2 C18 N6 23.9(6) . . . . ?
Dy2 O2 C18 C17 -153.1(3) . . . . ?
Dy2 O10 C58 C57 32.7(8) . . . . ?
Dy2 O10 C58 C59 -147.5(3) . . . . ?
Dy2 O8 C48 C49 159.7(3) . . . . ?
Dy2 O8 C48 C47 -18.7(7) . . . . ?
Dy2 N4 C8 C7 6.2(5) . . . . ?
Dy2 N4 C8 C9 -170.8(4) . . . . ?
Dy2 N4 C12 C11 169.9(4) . . . . ?
Dy2 N8 C24 C23 -169.1(4) . . . . ?
Dy2 N8 C20 C19 -10.2(5) . . . . ?
Dy2 N8 C20 C21 169.8(4) . . . . ?
Dy2 N7 C19 C20 -2.3(7) . . . . ?
O4 C28 C29 C30 169.0(5) . . . . ?
O4 C28 C29 C34 -10.6(7) . . . . ?
O4 C28 C27 C26 -10.0(9) . . . . ?
O9 C56 C57 C58 -6.0(9) . . . . ?
O9 C56 C55 F11 70.7(6) . . . . ?
O9 C56 C55 F10 -48.3(7) . . . . ?
O9 C56 C55 F12 -169.3(5) . . . . ?
O7 C46 C45 F8 -164.0(4) . . . . ?
O7 C46 C45 F7 -44.3(6) . . . . ?
O7 C46 C45 F9 76.8(6) . . . . ?
O7 C46 C47 C48 0.5(8) . . . . ?
O1 C7 C8 N4 -11.2(7) . . . . ?
O1 C7 C8 C9 165.8(5) . . . . ?
O5 C36 C37 C38 -4.6(9) . . . . ?
O5 C36 C35 F6 91.9(6) . . . . ?
O5 C36 C35 F5 -28.3(7) . . . . ?
O5 C36 C35 F4 -149.4(5) . . . . ?
O3 C26 C25 F3 -68.1(6) . . . . ?
O3 C26 C25 F2 50.6(6) . . . . ?
O3 C26 C25 F1 170.3(5) . . . . ?
O3 C26 C27 C28 2.1(10) . . . . ?
N5 C13 C14 C15 2.8(8) . . . . ?
N5 C17 C16 C15 1.2(7) . . . . ?
N5 C17 C18 O2 -4.3(6) . . . . ?
N5 C17 C18 N6 178.4(4) . . . . ?
O10 C58 C59 C64 -9.4(7) . . . . ?
O10 C58 C59 C60 168.3(5) . . . . ?
O8 C48 C47 C46 -3.7(8) . . . . ?
N2 N3 C7 O1 -5.1(7) . . . . ?
N2 N3 C7 C8 175.4(4) . . . . ?
N2 C6 C5 N1 6.0(7) . . . . ?
N2 C6 C5 C4 -173.9(5) . . . . ?
N3 N2 C6 C5 -179.3(4) . . . . ?
N3 C7 C8 N4 168.3(5) . . . . ?
N3 C7 C8 C9 -14.7(8) . . . . ?
N6 N7 C19 C20 -179.0(4) . . . . ?
N4 C8 C9 C10 -0.6(9) . . . . ?
N4 C12 C11 C10 1.0(9) . . . . ?
N8 C24 C23 C22 1.2(9) . . . . ?
N7 N6 C18 O2 -4.2(7) . . . . ?
N7 N6 C18 C17 172.7(4) . . . . ?
N7 C19 C20 N8 8.6(7) . . . . ?
N7 C19 C20 C21 -171.3(5) . . . . ?
C13 N5 C17 C16 0.5(7) . . . . ?
C13 N5 C17 C18 178.8(4) . . . . ?
C13 C14 C15 C16 -0.9(8) . . . . ?
C17 N5 C13 C14 -2.6(7) . . . . ?
C17 C16 C15 C14 -1.0(8) . . . . ?
C56 C57 C58 O10 -9.0(8) . . . . ?
C56 C57 C58 C59 171.2(5) . . . . ?
C6 N2 N3 C7 158.8(5) . . . . ?
C7 C8 C9 C10 -177.3(5) . . . . ?
C16 C17 C18 O2 174.0(4) . . . . ?
C16 C17 C18 N6 -3.3(7) . . . . ?
C1 N1 C5 C6 -178.5(5) . . . . ?
C1 N1 C5 C4 1.3(8) . . . . ?
C1 C2 C3 C4 0.4(9) . . . . ?
C45 C46 C47 C48 178.4(4) . . . . ?
C28 C29 C30 C31 179.8(6) . . . . ?
C28 C29 C34 C33 -179.6(5) . . . . ?
C36 C37 C38 O6 1.5(8) . . . . ?
C36 C37 C38 C39 179.7(5) . . . . ?
C29 C28 C27 C26 171.2(5) . . . . ?
C29 C30 C31 C32 0.0(10) . . . . ?
C29 C34 C33 C32 -0.3(10) . . . . ?
C5 N1 C1 C2 -0.7(8) . . . . ?
C5 C4 C3 C2 0.2(9) . . . . ?
C3 C2 C1 N1 -0.1(9) . . . . ?
C3 C4 C5 N1 -1.1(8) . . . . ?
C3 C4 C5 C6 178.8(5) . . . . ?
C37 C36 C35 F6 -87.1(6) . . . . ?
C37 C36 C35 F5 152.7(5) . . . . ?
C37 C36 C35 F4 31.6(7) . . . . ?
C57 C56 C55 F11 -110.7(6) . . . . ?
C57 C56 C55 F10 130.3(5) . . . . ?
C57 C56 C55 F12 9.3(7) . . . . ?
C57 C58 C59 C64 170.4(5) . . . . ?
C57 C58 C59 C60 -11.9(7) . . . . ?
C39 C44 C43 C42 1.0(9) . . . . ?
C39 C40 C41 C42 1.4(9) . . . . ?
C21 C22 C23 C24 -0.7(10) . . . . ?
C50 C49 C48 O8 -10.0(7) . . . . ?
C50 C49 C48 C47 168.5(4) . . . . ?
C50 C49 C54 C53 -2.4(8) . . . . ?
C50 C51 C52 C53 -3.5(8) . . . . ?
C24 N8 C20 C19 -179.0(5) . . . . ?
C24 N8 C20 C21 0.9(7) . . . . ?
C18 N6 N7 Dy2 -17.1(5) . . . . ?
C18 N6 N7 C19 159.8(5) . . . . ?
C18 C17 C16 C15 -176.9(4) . . . . ?
C20 N8 C24 C23 -1.3(8) . . . . ?
C20 C21 C22 C23 0.4(9) . . . . ?
C8 N4 C12 C11 -3.0(8) . . . . ?
C8 C9 C10 C11 -1.6(9) . . . . ?
C25 C26 C27 C28 -174.8(5) . . . . ?
C44 C39 C38 O6 21.6(7) . . . . ?
C44 C39 C38 C37 -156.6(5) . . . . ?
C44 C39 C40 C41 0.0(8) . . . . ?
C58 C59 C64 C63 179.3(5) . . . . ?
C58 C59 C60 C61 -178.6(5) . . . . ?
C38 C39 C44 C43 -179.9(5) . . . . ?
C38 C39 C40 C41 178.7(5) . . . . ?
C59 C64 C63 C62 -1.7(8) . . . . ?
C59 C60 C61 C62 0.3(9) . . . . ?
C49 C50 C51 C52 0.3(8) . . . . ?
C49 C48 C47 C46 177.9(4) . . . . ?
C49 C54 C53 C52 -0.7(8) . . . . ?
C12 N4 C8 C7 179.8(4) . . . . ?
C12 N4 C8 C9 2.8(8) . . . . ?
C12 C11 C10 C9 1.4(9) . . . . ?
C40 C39 C44 C43 -1.2(8) . . . . ?
C40 C39 C38 O6 -157.1(5) . . . . ?
C40 C39 C38 C37 24.7(7) . . . . ?
C40 C41 C42 C43 -1.6(9) . . . . ?
C35 C36 C37 C38 174.2(5) . . . . ?
C48 C49 C54 C53 177.4(5) . . . . ?
C54 C49 C48 O8 170.3(4) . . . . ?
C54 C49 C48 C47 -11.2(7) . . . . ?
C54 C53 C52 C51 3.7(9) . . . . ?
C47 C46 C45 F8 17.8(7) . . . . ?
C47 C46 C45 F7 137.4(5) . . . . ?
C47 C46 C45 F9 -101.5(6) . . . . ?
C64 C59 C60 C61 -0.9(8) . . . . ?
C64 C63 C62 C61 1.1(9) . . . . ?
C63 C62 C61 C60 -0.4(9) . . . . ?
C60 C59 C64 C63 1.6(8) . . . . ?
C51 C50 C49 C48 -177.2(4) . . . . ?
C51 C50 C49 C54 2.6(7) . . . . ?
C30 C29 C34 C33 0.7(9) . . . . ?
C55 C56 C57 C58 175.6(5) . . . . ?
C22 C21 C20 N8 -0.5(8) . . . . ?
C22 C21 C20 C19 179.5(5) . . . . ?
C34 C29 C30 C31 -0.6(9) . . . . ?
C27 C28 C29 C30 -12.0(8) . . . . ?
C27 C28 C29 C34 168.3(5) . . . . ?
C27 C26 C25 F3 109.3(6) . . . . ?
C27 C26 C25 F2 -132.0(5) . . . . ?
C27 C26 C25 F1 -12.3(8) . . . . ?
C41 C42 C43 C44 0.4(10) . . . . ?
C31 C32 C33 C34 -0.3(10) . . . . ?
C33 C32 C31 C30 0.5(11) . . . . ?
