#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:49:45 +0300 (Fri, 05 May 2023) $
#$Revision: 283254 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/20/7712034.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_7712034
loop_
_publ_author_name
'Tang, Jiamin'
'Zhang, Sheng'
'Li, Linzhou'
'Yao, Linbin'
'Zhang, Ronghu'
'Yin, Bing'
'Zhang, Jiangwei'
_publ_section_title
;
 Influence of ligand substitution and the solvent effect on the structures
 and magnetic properties of dinuclear Dy₂ supramolecular
 architectures constructed with the bis-β-diketonate-Dy₂
 building block as a metalloligand.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1366
_journal_page_last               1377
_journal_paper_doi               10.1039/d2dt03468a
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C56 H24 Dy2 F24 O16, 2(C6 H15 N)'
_chemical_formula_sum            'C68 H54 Dy2 F24 N2 O16'
_chemical_formula_weight         1936.13
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-11-22
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.772(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.4037(11)
_cell_length_b                   20.0870(8)
_cell_length_c                   21.2918(11)
_cell_measurement_reflns_used    2922
_cell_measurement_temperature    293.0(1)
_cell_measurement_theta_max      61.1860
_cell_measurement_theta_min      3.3260
_cell_volume                     7535.1(7)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/1 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_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     14.00  50.00   1.00    2.00    --    0.00  57.00 -90.00   36
  2  ω      1.00  42.00   1.00    2.00    --    0.00 -99.00  60.00   41
  3  ω    -77.00 -32.00   1.00    2.00    --    0.00 178.00 120.00   45
  4  ω    -76.00 -50.00   1.00    2.00    --    0.00 178.00 -90.00   26
  5  ω     42.00  88.00   1.00    6.00    --   54.63-125.00  90.00   46
  6  ω    -18.00  52.00   1.00    6.00    --   54.63 -37.00 150.00   70
  7  ω     34.00 123.00   1.00    6.00    --   54.63  37.00  60.00   89
  8  ω      2.00  68.00   1.00    6.00    --   54.63 -57.00  60.00   66
  9  ω     57.00 129.00   1.00    6.00    --  109.26 -50.00 120.00   72
 10  ω     63.00 126.00   1.00    6.00    --  109.26 178.00  30.00   63
 11  ω     91.00 176.00   1.00    6.00    --  109.26  50.00 -90.00   85
 12  ω     46.00 113.00   1.00    6.00    --  109.26-111.00   0.00   67
 13  ω     41.00 147.00   1.00    6.00    --  109.26 -91.00  30.00  106
 14  ω     51.00  76.00   1.00    6.00    --  109.26-111.00 150.00   25
 15  ω     55.00 106.00   1.00    6.00    --  109.26-111.00 -90.00   51
 16  ω    129.00 172.00   1.00    6.00    --  109.26  50.00 -30.00   43
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0093249000
_diffrn_orient_matrix_UB_12      -0.0476362000
_diffrn_orient_matrix_UB_13      0.0526095000
_diffrn_orient_matrix_UB_21      -0.0869529000
_diffrn_orient_matrix_UB_22      0.0050769000
_diffrn_orient_matrix_UB_23      -0.0392280000
_diffrn_orient_matrix_UB_31      0.0000613000
_diffrn_orient_matrix_UB_32      -0.0598763000
_diffrn_orient_matrix_UB_33      -0.0451907000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0845
_diffrn_reflns_av_unetI/netI     0.1234
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28168
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.245
_diffrn_reflns_theta_max         67.245
_diffrn_reflns_theta_min         3.173
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    11.610
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       block
_exptl_crystal_F_000             3808
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.186
_refine_diff_density_min         -0.988
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         13494
_refine_ls_number_restraints     3181
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1507
_refine_ls_R_factor_gt           0.0770
_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)+(0.0878P)²+5.0809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.2294
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7071
_reflns_number_total             13494
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03468a2.cif
_cod_data_source_block           exp_11493
_cod_depositor_comments
'Adding full bibliography for 7712034--7712040.cif.'
_cod_database_code               7712034
_shelx_shelxl_version_number     2019/1
_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.
;
_shelx_estimated_absorpt_t_max   0.457
_shelx_estimated_absorpt_t_min   0.421
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-F1 = C1-F2 = C1-F3
 1.32 with sigma of 0.01
 F1-F2 = F2-F3 = F3-F1
 2.1 with sigma of 0.01
 C1-C2
 1.52 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3.8A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 3.8A
4.a Secondary CH2 refined with riding coordinates:
 C57(H57A,H57B), C59(H59A,H59B), C61(H61A,H61B), C63(H63A,H63B), C65(H65A,
 H65B), C67(H67A,H67B)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C24(H24), C26(H26), C31(H31), C34(H34), C35(H35), C36(H36),
  C38(H38), C40(H40), C45(H45), C48(H48), C49(H49), C50(H50), C52(H52), C54(H54)
4.c Idealised Me refined as rotating group:
 C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C), C64(H64A,H64B,
 H64C), C66(H66A,H66B,H66C), C68(H68A,H68B,H68C)
;
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.394
_oxdiff_exptl_absorpt_empirical_full_min 0.839
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.20036(4) 0.41337(3) 0.32293(3) 0.0497(2) Uani 1 1 d . U . . .
Dy2 Dy -0.19265(4) 0.56269(3) 0.18383(3) 0.0494(2) Uani 1 1 d . U . . .
F1 F -0.2614(5) 0.7949(5) 0.1074(6) 0.150(4) Uani 1 1 d D U . . .
F2 F -0.1645(7) 0.7873(7) 0.0900(7) 0.209(6) Uani 1 1 d D U . . .
F3 F -0.1617(7) 0.8430(5) 0.1727(6) 0.221(6) Uani 1 1 d D U . . .
F4 F 0.3707(7) 0.5224(6) 0.5892(5) 0.166(5) Uani 1 1 d . U . . .
F5 F 0.4292(6) 0.4959(7) 0.5327(6) 0.164(4) Uani 1 1 d . U . . .
F6 F 0.3817(7) 0.4252(5) 0.5674(5) 0.159(5) Uani 1 1 d . U . . .
F7 F -0.3682(5) 0.5947(5) -0.0705(5) 0.118(3) Uani 1 1 d . U . . .
F8 F -0.3571(6) 0.4943(5) -0.0455(5) 0.136(4) Uani 1 1 d . U . . .
F9 F -0.3055(5) 0.5342(6) -0.1061(4) 0.131(4) Uani 1 1 d . U . . .
F10 F 0.3579(6) 0.6261(5) 0.2876(7) 0.147(4) Uani 1 1 d . U . . .
F11 F 0.4065(7) 0.5507(8) 0.2704(8) 0.180(4) Uani 1 1 d . U . . .
F12 F 0.4115(7) 0.5528(7) 0.3590(7) 0.211(6) Uani 1 1 d . U . . .
F13 F -0.4017(5) 0.3464(5) 0.1231(6) 0.134(4) Uani 1 1 d . U . . .
F14 F -0.3943(6) 0.4198(6) 0.1986(6) 0.140(4) Uani 1 1 d . U . . .
F15 F -0.4428(5) 0.4442(5) 0.0917(6) 0.132(4) Uani 1 1 d . U . . .
F16 F 0.1998(7) 0.2729(8) 0.0958(6) 0.181(5) Uani 1 1 d . U . . .
F17 F 0.2588(8) 0.2233(7) 0.1761(7) 0.165(4) Uani 1 1 d . U . . .
F18 F 0.2970(7) 0.3094(7) 0.1675(6) 0.160(4) Uani 1 1 d . U . . .
F19 F -0.2306(5) 0.6383(5) 0.4254(4) 0.122(3) Uani 1 1 d . U . . .
F20 F -0.2071(7) 0.7061(5) 0.3618(6) 0.140(4) Uani 1 1 d . U . . .
F21 F -0.3157(5) 0.6629(6) 0.3279(4) 0.132(4) Uani 1 1 d . U . . .
F22 F 0.1699(5) 0.1693(4) 0.4448(5) 0.103(3) Uani 1 1 d . U . . .
F23 F 0.2672(5) 0.1857(4) 0.4263(5) 0.111(3) Uani 1 1 d . U . . .
F24 F 0.1595(7) 0.1766(5) 0.3424(5) 0.148(4) Uani 1 1 d . U . . .
N1 N 0.4143(7) 0.3328(7) 0.3410(7) 0.091(3) Uani 1 1 d . U . . .
N2 N 0.5997(8) 0.6559(9) 0.1708(7) 0.115(4) Uani 1 1 d . U . . .
O1 O -0.2094(4) 0.6784(4) 0.1638(4) 0.0627(19) Uani 1 1 d . U . . .
O2 O -0.0851(4) 0.6136(4) 0.2666(4) 0.0513(16) Uani 1 1 d . U . . .
O3 O 0.1743(4) 0.5220(4) 0.3448(4) 0.0508(16) Uani 1 1 d . U . . .
O4 O 0.2924(4) 0.4393(4) 0.4336(4) 0.0597(18) Uani 1 1 d . U . . .
O5 O -0.2668(5) 0.5712(4) 0.0648(4) 0.0632(19) Uani 1 1 d . U . . .
O6 O -0.1088(4) 0.5814(4) 0.1332(4) 0.0545(17) Uani 1 1 d . U . . .
O7 O 0.1437(4) 0.4656(4) 0.2161(4) 0.0555(17) Uani 1 1 d . U . . .
O8 O 0.2981(5) 0.4698(4) 0.3076(4) 0.0658(18) Uani 1 1 d . U . . .
O9 O -0.2985(4) 0.4941(4) 0.1619(4) 0.0609(18) Uani 1 1 d . U . . .
O10 O -0.1631(4) 0.4604(4) 0.1511(4) 0.0536(16) Uani 1 1 d . U . . .
O11 O 0.0918(4) 0.3545(4) 0.2555(4) 0.0540(16) Uani 1 1 d . U . . .
O12 O 0.2373(5) 0.3401(4) 0.2535(4) 0.0646(19) Uani 1 1 d . U . . .
O13 O -0.2464(4) 0.6024(4) 0.2595(4) 0.0600(18) Uani 1 1 d . U . . .
O14 O -0.1439(4) 0.4927(4) 0.2815(4) 0.0537(16) Uani 1 1 d . U . . .
O15 O 0.1246(4) 0.4096(4) 0.3840(4) 0.0538(16) Uani 1 1 d . U . . .
O16 O 0.2225(5) 0.3093(4) 0.3797(4) 0.0624(18) Uani 1 1 d . U . . .
C1 C -0.1882(6) 0.7872(5) 0.1408(6) 0.102(4) Uani 1 1 d D U . . .
C2 C -0.1623(7) 0.7253(6) 0.1859(6) 0.063(3) Uani 1 1 d D U . . .
C3 C -0.0913(7) 0.7273(6) 0.2382(6) 0.062(3) Uani 1 1 d . U . . .
H3 H -0.065610 0.767716 0.249299 0.074 Uiso 1 1 calc R U . . .
C4 C -0.0549(6) 0.6691(6) 0.2768(5) 0.050(2) Uani 1 1 d . U . . .
C5 C 0.0244(6) 0.6741(5) 0.3303(5) 0.045(2) Uani 1 1 d . U . . .
C6 C 0.0534(6) 0.7313(6) 0.3707(5) 0.050(2) Uani 1 1 d . U . . .
H6 H 0.023309 0.769050 0.363525 0.060 Uiso 1 1 calc R U . . .
C7 C 0.1270(6) 0.7309(5) 0.4212(5) 0.047(2) Uani 1 1 d . U . . .
H7 H 0.146064 0.768742 0.448162 0.056 Uiso 1 1 calc R U . . .
C8 C 0.1726(6) 0.6759(6) 0.4324(5) 0.051(2) Uani 1 1 d . U . . .
H8 H 0.221334 0.676163 0.467882 0.061 Uiso 1 1 calc R U . . .
C9 C 0.1460(6) 0.6189(5) 0.3904(5) 0.046(2) Uani 1 1 d . U . . .
C10 C 0.0720(6) 0.6203(5) 0.3405(5) 0.047(2) Uani 1 1 d . U . . .
H10 H 0.053445 0.583057 0.312459 0.056 Uiso 1 1 calc R U . . .
C11 C 0.1931(6) 0.5589(6) 0.3976(5) 0.047(2) Uani 1 1 d . U . . .
C12 C 0.2536(7) 0.5430(6) 0.4609(6) 0.060(2) Uani 1 1 d . U . . .
H12 H 0.263922 0.572166 0.497641 0.072 Uiso 1 1 calc R U . . .
C13 C 0.2992(7) 0.4869(7) 0.4728(6) 0.058(2) Uani 1 1 d . U . . .
C14 C 0.3650(10) 0.4804(9) 0.5426(9) 0.091(4) Uani 1 1 d . U . . .
C15 C -0.3214(9) 0.5469(8) -0.0525(7) 0.078(4) Uani 1 1 d . U . . .
C16 C -0.2499(7) 0.5614(6) 0.0156(6) 0.058(3) Uani 1 1 d . U . . .
C17 C -0.1805(7) 0.5614(6) 0.0128(6) 0.062(2) Uani 1 1 d . U . . .
H17 H -0.178126 0.553472 -0.029302 0.074 Uiso 1 1 calc R U . . .
C18 C -0.1112(7) 0.5734(6) 0.0735(6) 0.055(2) Uani 1 1 d . U . . .
C19 C -0.0364(7) 0.5696(5) 0.0682(5) 0.052(2) Uani 1 1 d . U . . .
C20 C -0.0253(7) 0.5912(6) 0.0110(6) 0.060(3) Uani 1 1 d . U . . .
H20 H -0.066126 0.606568 -0.028170 0.072 Uiso 1 1 calc R U . . .
C21 C 0.0466(7) 0.5897(6) 0.0125(6) 0.059(3) Uani 1 1 d . U . . .
H21 H 0.053540 0.603845 -0.026042 0.071 Uiso 1 1 calc R U . . .
C22 C 0.1067(7) 0.5681(6) 0.0687(5) 0.055(2) Uani 1 1 d . U . . .
H22 H 0.154736 0.569404 0.069071 0.066 Uiso 1 1 calc R U . . .
C23 C 0.0983(7) 0.5437(6) 0.1264(5) 0.051(2) Uani 1 1 d . U . . .
C24 C 0.0249(6) 0.5443(5) 0.1243(5) 0.049(2) Uani 1 1 d . U . . .
H24 H 0.017446 0.527157 0.161527 0.059 Uiso 1 1 calc R U . . .
C25 C 0.1593(7) 0.5151(6) 0.1878(6) 0.052(2) Uani 1 1 d . U . . .
C26 C 0.2322(7) 0.5452(6) 0.2150(6) 0.064(3) Uani 1 1 d . U . . .
H26 H 0.239346 0.582264 0.192292 0.077 Uiso 1 1 calc R U . . .
C27 C 0.2926(7) 0.5230(6) 0.2727(6) 0.059(2) Uani 1 1 d . U . . .
C28 C 0.3631(9) 0.5671(9) 0.3042(10) 0.094(4) Uani 1 1 d . U . . .
C29 C -0.3886(10) 0.4092(9) 0.1410(10) 0.096(4) Uani 1 1 d . U . . .
C30 C -0.3085(7) 0.4331(7) 0.1455(7) 0.069(3) Uani 1 1 d . U . . .
C31 C -0.2641(7) 0.3882(6) 0.1342(6) 0.063(3) Uani 1 1 d . U . . .
H31 H -0.282060 0.344964 0.122844 0.076 Uiso 1 1 calc R U . . .
C32 C -0.1908(7) 0.4035(6) 0.1389(6) 0.052(2) Uani 1 1 d . U . . .
C33 C -0.1419(7) 0.3500(6) 0.1318(6) 0.057(2) Uani 1 1 d . U . . .
C34 C -0.1698(8) 0.2932(6) 0.0913(6) 0.064(3) Uani 1 1 d . U . . .
H34 H -0.221847 0.286444 0.068088 0.076 Uiso 1 1 calc R U . . .
C35 C -0.1195(8) 0.2465(6) 0.0857(7) 0.068(3) Uani 1 1 d . U . . .
H35 H -0.138697 0.209210 0.057847 0.081 Uiso 1 1 calc R U . . .
C36 C -0.0427(7) 0.2543(6) 0.1202(6) 0.061(3) Uani 1 1 d . U . . .
H36 H -0.010070 0.222549 0.115798 0.074 Uiso 1 1 calc R U . . .
C37 C -0.0132(7) 0.3107(6) 0.1623(6) 0.054(2) Uani 1 1 d . U . . .
C38 C -0.0627(7) 0.3583(6) 0.1668(6) 0.058(2) Uani 1 1 d . U . . .
H38 H -0.043368 0.396341 0.193311 0.070 Uiso 1 1 calc R U . . .
C39 C 0.0701(7) 0.3227(6) 0.1998(6) 0.056(2) Uani 1 1 d . U . . .
C40 C 0.1204(8) 0.3002(7) 0.1710(7) 0.071(3) Uani 1 1 d . U . . .
H40 H 0.099268 0.277120 0.129330 0.085 Uiso 1 1 calc R U . . .
C41 C 0.1962(8) 0.3099(6) 0.1994(7) 0.062(2) Uani 1 1 d . U . . .
C42 C 0.2336(10) 0.2849(9) 0.1557(9) 0.087(4) Uani 1 1 d . U . . .
C43 C -0.2437(9) 0.6502(9) 0.3599(8) 0.085(4) Uani 1 1 d . U . . .
C44 C -0.2181(7) 0.5956(6) 0.3245(6) 0.060(3) Uani 1 1 d . U . . .
C45 C -0.1691(7) 0.5490(6) 0.3667(6) 0.060(2) Uani 1 1 d . U . . .
H45 H -0.158242 0.550056 0.413543 0.072 Uiso 1 1 calc R U . . .
C46 C -0.1336(6) 0.4988(6) 0.3426(6) 0.053(2) Uani 1 1 d . U . . .
C47 C -0.0782(6) 0.4522(6) 0.3945(6) 0.052(2) Uani 1 1 d . U . . .
C48 C -0.0849(7) 0.4305(6) 0.4536(6) 0.057(2) Uani 1 1 d . U . . .
H48 H -0.124210 0.446463 0.463567 0.068 Uiso 1 1 calc R U . . .
C49 C -0.0343(7) 0.3860(6) 0.4972(6) 0.063(3) Uani 1 1 d . U . . .
H49 H -0.039477 0.371665 0.536530 0.075 Uiso 1 1 calc R U . . .
C50 C 0.0259(7) 0.3614(6) 0.4830(6) 0.057(2) Uani 1 1 d . U . . .
H50 H 0.059267 0.329718 0.511664 0.069 Uiso 1 1 calc R U . . .
C51 C 0.0342(6) 0.3854(6) 0.4256(5) 0.050(2) Uani 1 1 d . U . . .
C52 C -0.0175(6) 0.4311(5) 0.3824(5) 0.050(2) Uani 1 1 d . U . . .
H52 H -0.010917 0.447868 0.344528 0.060 Uiso 1 1 calc R U . . .
C53 C 0.0998(7) 0.3654(6) 0.4094(6) 0.053(2) Uani 1 1 d . U . . .
C54 C 0.1273(7) 0.2987(6) 0.4213(6) 0.056(2) Uani 1 1 d . U . . .
H54 H 0.107949 0.269287 0.443568 0.068 Uiso 1 1 calc R U . . .
C55 C 0.1812(7) 0.2769(6) 0.4007(6) 0.058(3) Uani 1 1 d . U . . .
C56 C 0.1950(9) 0.2013(7) 0.4031(7) 0.071(3) Uani 1 1 d . U . . .
C57 C 0.4629(10) 0.3829(9) 0.3270(10) 0.108(4) Uani 1 1 d . U . . .
H57A H 0.457069 0.425479 0.345692 0.129 Uiso 1 1 calc R U . . .
H57B H 0.515589 0.369556 0.351450 0.129 Uiso 1 1 calc R U . . .
C58 C 0.4463(10) 0.3916(9) 0.2545(9) 0.120(5) Uani 1 1 d . U . . .
H58A H 0.449434 0.349345 0.234757 0.180 Uiso 1 1 calc R U . . .
H58B H 0.482483 0.421746 0.250166 0.180 Uiso 1 1 calc R U . . .
H58C H 0.396121 0.409430 0.230579 0.180 Uiso 1 1 calc R U . . .
C59 C 0.4136(9) 0.3436(9) 0.4110(9) 0.105(4) Uani 1 1 d . U . . .
H59A H 0.378066 0.313140 0.416909 0.126 Uiso 1 1 calc R U . . .
H59B H 0.397528 0.388731 0.414104 0.126 Uiso 1 1 calc R U . . .
C60 C 0.5002(12) 0.3308(12) 0.4726(10) 0.161(7) Uani 1 1 d . U . . .
H60A H 0.516264 0.286416 0.468709 0.241 Uiso 1 1 calc R U . . .
H60B H 0.499460 0.336441 0.517070 0.241 Uiso 1 1 calc R U . . .
H60C H 0.534814 0.362243 0.467539 0.241 Uiso 1 1 calc R U . . .
C61 C 0.4364(11) 0.2661(10) 0.3279(11) 0.124(5) Uani 1 1 d . U . . .
H61A H 0.488971 0.258239 0.359459 0.148 Uiso 1 1 calc R U . . .
H61B H 0.433180 0.264686 0.281201 0.148 Uiso 1 1 calc R U . . .
C62 C 0.3883(12) 0.2110(10) 0.3363(11) 0.157(7) Uani 1 1 d . U . . .
H62A H 0.395155 0.209103 0.383554 0.236 Uiso 1 1 calc R U . . .
H62B H 0.403280 0.169318 0.323672 0.236 Uiso 1 1 calc R U . . .
H62C H 0.335923 0.219432 0.306863 0.236 Uiso 1 1 calc R U . . .
C63 C 0.5688(12) 0.7104(13) 0.1906(11) 0.154(6) Uani 1 1 d . U . . .
H63A H 0.569077 0.703163 0.235707 0.184 Uiso 1 1 calc R U . . .
H63B H 0.517151 0.718677 0.157227 0.184 Uiso 1 1 calc R U . . .
C64 C 0.6233(12) 0.7709(11) 0.1926(11) 0.150(7) Uani 1 1 d . U . . .
H64A H 0.673615 0.762345 0.227146 0.225 Uiso 1 1 calc R U . . .
H64B H 0.604405 0.811298 0.203638 0.225 Uiso 1 1 calc R U . . .
H64C H 0.624607 0.775289 0.148204 0.225 Uiso 1 1 calc R U . . .
C65 C 0.6050(10) 0.6462(11) 0.1057(9) 0.121(5) Uani 1 1 d . U . . .
H65A H 0.616196 0.599652 0.102263 0.145 Uiso 1 1 calc R U . . .
H65B H 0.647772 0.671896 0.106703 0.145 Uiso 1 1 calc R U . . .
C66 C 0.5356(11) 0.6650(12) 0.0406(9) 0.152(7) Uani 1 1 d . U . . .
H66A H 0.491802 0.642304 0.040103 0.229 Uiso 1 1 calc R U . . .
H66B H 0.543433 0.652288 0.000597 0.229 Uiso 1 1 calc R U . . .
H66C H 0.527646 0.712203 0.039905 0.229 Uiso 1 1 calc R U . . .
C67 C 0.5389(13) 0.5965(13) 0.1711(12) 0.159(6) Uani 1 1 d . U . . .
H67A H 0.487718 0.614216 0.150878 0.191 Uiso 1 1 calc R U . . .
H67B H 0.541088 0.559532 0.142703 0.191 Uiso 1 1 calc R U . . .
C68 C 0.5550(13) 0.5744(13) 0.2354(13) 0.182(8) Uani 1 1 d . U . . .
H68A H 0.608725 0.567750 0.259913 0.273 Uiso 1 1 calc R U . . .
H68B H 0.529123 0.533049 0.232784 0.273 Uiso 1 1 calc R U . . .
H68C H 0.538516 0.606681 0.259504 0.273 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 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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
O3 Dy1 O4 74.3(3) . . ?
O3 Dy1 O8 80.3(3) . . ?
O3 Dy1 O12 147.5(3) . . ?
O3 Dy1 O15 71.3(2) . . ?
O3 Dy1 O16 137.2(2) . . ?
O4 Dy1 O8 73.3(3) . . ?
O4 Dy1 O12 117.2(3) . . ?
O4 Dy1 O16 77.5(3) . . ?
O7 Dy1 O3 73.7(3) . . ?
O7 Dy1 O4 137.2(3) . . ?
O7 Dy1 O8 74.0(3) . . ?
O7 Dy1 O12 79.3(3) . . ?
O7 Dy1 O15 114.2(3) . . ?
O7 Dy1 O16 144.2(3) . . ?
O8 Dy1 O12 75.1(3) . . ?
O8 Dy1 O16 121.0(3) . . ?
O11 Dy1 O3 112.6(3) . . ?
O11 Dy1 O4 148.1(3) . . ?
O11 Dy1 O7 71.9(3) . . ?
O11 Dy1 O8 137.6(3) . . ?
O11 Dy1 O12 74.6(3) . . ?
O11 Dy1 O15 73.0(3) . . ?
O11 Dy1 O16 77.8(3) . . ?
O15 Dy1 O4 80.8(3) . . ?
O15 Dy1 O8 145.7(3) . . ?
O15 Dy1 O12 138.0(3) . . ?
O15 Dy1 O16 73.0(3) . . ?
O16 Dy1 O12 74.7(3) . . ?
O1 Dy2 O13 74.2(3) . . ?
O2 Dy2 O1 73.5(3) . . ?
O2 Dy2 O5 137.5(3) . . ?
O2 Dy2 O9 147.0(3) . . ?
O2 Dy2 O13 81.3(3) . . ?
O2 Dy2 O14 72.1(3) . . ?
O5 Dy2 O1 75.9(3) . . ?
O5 Dy2 O9 74.8(3) . . ?
O5 Dy2 O13 117.5(3) . . ?
O5 Dy2 O14 146.9(3) . . ?
O6 Dy2 O1 80.1(3) . . ?
O6 Dy2 O2 72.6(3) . . ?
O6 Dy2 O5 73.7(3) . . ?
O6 Dy2 O9 136.4(3) . . ?
O6 Dy2 O13 147.5(3) . . ?
O6 Dy2 O14 113.9(3) . . ?
O9 Dy2 O1 119.8(3) . . ?
O9 Dy2 O13 74.8(3) . . ?
O9 Dy2 O14 79.6(3) . . ?
O10 Dy2 O1 148.4(3) . . ?
O10 Dy2 O2 111.1(3) . . ?
O10 Dy2 O5 81.7(3) . . ?
O10 Dy2 O6 72.3(3) . . ?
O10 Dy2 O9 74.1(3) . . ?
O10 Dy2 O13 136.9(3) . . ?
O10 Dy2 O14 71.2(3) . . ?
O14 Dy2 O1 136.1(3) . . ?
O14 Dy2 O13 74.4(3) . . ?
C57 N1 C59 111.6(14) . . ?
C61 N1 C57 108.4(13) . . ?
C61 N1 C59 116.3(14) . . ?
C63 N2 C65 127.4(18) . . ?
C63 N2 C67 99.5(16) . . ?
C65 N2 C67 103.8(16) . . ?
C2 O1 Dy2 130.2(7) . . ?
C4 O2 Dy2 137.6(7) . . ?
C11 O3 Dy1 136.1(7) . . ?
C13 O4 Dy1 132.1(8) . . ?
C16 O5 Dy2 130.2(8) . . ?
C18 O6 Dy2 135.0(7) . . ?
C25 O7 Dy1 135.5(8) . . ?
C27 O8 Dy1 127.5(8) . . ?
C30 O9 Dy2 129.9(8) . . ?
C32 O10 Dy2 137.6(7) . . ?
C39 O11 Dy1 134.8(7) . . ?
C41 O12 Dy1 128.7(8) . . ?
C44 O13 Dy2 126.1(7) . . ?
C46 O14 Dy2 134.3(7) . . ?
C53 O15 Dy1 135.8(7) . . ?
C55 O16 Dy1 129.6(7) . . ?
F1 C1 F2 103.0(8) . . ?
F1 C1 C2 115.8(10) . . ?
F2 C1 C2 112.1(10) . . ?
F3 C1 F1 106.6(9) . . ?
F3 C1 F2 103.1(9) . . ?
F3 C1 C2 114.9(10) . . ?
O1 C2 C1 112.3(10) . . ?
O1 C2 C3 130.9(10) . . ?
C3 C2 C1 116.5(11) . . ?
C2 C3 H3 118.9 . . ?
C2 C3 C4 122.2(11) . . ?
C4 C3 H3 118.9 . . ?
O2 C4 C3 123.4(11) . . ?
O2 C4 C5 117.4(10) . . ?
C3 C4 C5 119.2(11) . . ?
C6 C5 C4 123.1(10) . . ?
C10 C5 C4 118.5(10) . . ?
C10 C5 C6 118.3(10) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.4(11) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.3(10) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.3(11) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C11 123.3(10) . . ?
C10 C9 C8 117.3(10) . . ?
C10 C9 C11 119.5(10) . . ?
C5 C10 C9 123.2(11) . . ?
C5 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
O3 C11 C9 116.7(9) . . ?
O3 C11 C12 122.1(11) . . ?
C12 C11 C9 121.1(10) . . ?
C11 C12 H12 117.5 . . ?
C13 C12 C11 125.0(12) . . ?
C13 C12 H12 117.5 . . ?
O4 C13 C12 128.5(12) . . ?
O4 C13 C14 113.8(12) . . ?
C12 C13 C14 117.7(13) . . ?
F4 C14 F5 100.4(15) . . ?
F4 C14 C13 118.1(14) . . ?
F5 C14 C13 106.1(14) . . ?
F6 C14 F4 110.2(16) . . ?
F6 C14 F5 100.3(15) . . ?
F6 C14 C13 118.1(15) . . ?
F7 C15 F8 107.5(15) . . ?
F7 C15 F9 106.3(13) . . ?
F7 C15 C16 112.7(12) . . ?
F8 C15 F9 105.5(13) . . ?
F8 C15 C16 110.7(12) . . ?
F9 C15 C16 113.6(13) . . ?
O5 C16 C15 111.7(12) . . ?
O5 C16 C17 130.6(12) . . ?
C17 C16 C15 117.8(12) . . ?
C16 C17 H17 119.2 . . ?
C16 C17 C18 121.6(11) . . ?
C18 C17 H17 119.2 . . ?
O6 C18 C17 123.5(11) . . ?
O6 C18 C19 116.9(10) . . ?
C17 C18 C19 119.3(10) . . ?
C20 C19 C18 123.9(11) . . ?
C24 C19 C18 117.5(10) . . ?
C24 C19 C20 118.6(11) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.8(12) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.2(11) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.4 . . ?
C21 C22 C23 121.3(12) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 117.4(11) . . ?
C22 C23 C25 125.1(11) . . ?
C24 C23 C25 117.5(10) . . ?
C19 C24 C23 121.6(10) . . ?
C19 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
O7 C25 C23 118.0(11) . . ?
O7 C25 C26 122.5(11) . . ?
C26 C25 C23 119.5(11) . . ?
C25 C26 H26 118.0 . . ?
C27 C26 C25 124.1(12) . . ?
C27 C26 H26 118.0 . . ?
O8 C27 C26 128.6(12) . . ?
O8 C27 C28 112.8(12) . . ?
C26 C27 C28 118.5(12) . . ?
F10 C28 F11 94.5(14) . . ?
F10 C28 C27 118.8(14) . . ?
F11 C28 C27 105.4(16) . . ?
F12 C28 F10 116.9(18) . . ?
F12 C28 F11 93.0(16) . . ?
F12 C28 C27 119.0(15) . . ?
F13 C29 F15 106.6(15) . . ?
F13 C29 C30 111.9(15) . . ?
F14 C29 F13 110.5(16) . . ?
F14 C29 F15 107.8(17) . . ?
F14 C29 C30 111.3(14) . . ?
F15 C29 C30 108.5(14) . . ?
O9 C30 C29 109.9(13) . . ?
O9 C30 C31 131.8(13) . . ?
C31 C30 C29 118.3(13) . . ?
C30 C31 H31 118.5 . . ?
C30 C31 C32 123.0(12) . . ?
C32 C31 H31 118.5 . . ?
O10 C32 C31 123.2(11) . . ?
O10 C32 C33 116.7(10) . . ?
C31 C32 C33 120.1(11) . . ?
C34 C33 C32 123.9(12) . . ?
C34 C33 C38 118.5(12) . . ?
C38 C33 C32 117.6(11) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(12) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.3 . . ?
C36 C35 C34 121.4(12) . . ?
C36 C35 H35 119.3 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.7(12) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 C39 122.1(11) . . ?
C38 C37 C36 119.3(12) . . ?
C38 C37 C39 118.5(11) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 C33 121.0(12) . . ?
C37 C38 H38 119.5 . . ?
O11 C39 C37 116.6(10) . . ?
O11 C39 C40 123.2(12) . . ?
C40 C39 C37 120.1(11) . . ?
C39 C40 H40 117.5 . . ?
C41 C40 C39 125.1(12) . . ?
C41 C40 H40 117.5 . . ?
O12 C41 C40 129.7(11) . . ?
O12 C41 C42 116.8(13) . . ?
C40 C41 C42 113.4(13) . . ?
F16 C42 F17 97.0(14) . . ?
F16 C42 F18 110.4(16) . . ?
F16 C42 C41 123.1(16) . . ?
F17 C42 C41 108.6(15) . . ?
F18 C42 F17 96.0(14) . . ?
F18 C42 C41 116.0(14) . . ?
F19 C43 C44 115.6(13) . . ?
F20 C43 F19 104.8(14) . . ?
F20 C43 C44 110.1(14) . . ?
F21 C43 F19 106.1(13) . . ?
F21 C43 F20 107.2(14) . . ?
F21 C43 C44 112.5(13) . . ?
O13 C44 C43 112.5(11) . . ?
O13 C44 C45 131.0(11) . . ?
C45 C44 C43 116.5(11) . . ?
C44 C45 H45 118.2 . . ?
C44 C45 C46 123.6(11) . . ?
C46 C45 H45 118.2 . . ?
O14 C46 C45 123.7(11) . . ?
O14 C46 C47 117.6(10) . . ?
C45 C46 C47 118.6(10) . . ?
C48 C47 C46 123.6(10) . . ?
C52 C47 C46 117.3(10) . . ?
C52 C47 C48 119.2(11) . . ?
C47 C48 H48 119.7 . . ?
C49 C48 C47 120.5(11) . . ?
C49 C48 H48 119.7 . . ?
C48 C49 H49 119.7 . . ?
C48 C49 C50 120.5(10) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 H50 120.7 . . ?
C51 C50 C49 118.7(11) . . ?
C51 C50 H50 120.7 . . ?
C50 C51 C52 119.8(10) . . ?
C50 C51 C53 122.1(11) . . ?
C52 C51 C53 118.1(9) . . ?
C47 C52 C51 121.2(10) . . ?
C47 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
O15 C53 C51 115.4(10) . . ?
O15 C53 C54 124.6(10) . . ?
C54 C53 C51 120.0(10) . . ?
C53 C54 H54 119.1 . . ?
C55 C54 C53 121.8(11) . . ?
C55 C54 H54 119.1 . . ?
O16 C55 C54 129.7(11) . . ?
O16 C55 C56 113.3(11) . . ?
C54 C55 C56 117.0(12) . . ?
F22 C56 C55 112.7(11) . . ?
F23 C56 F22 105.2(11) . . ?
F23 C56 C55 113.1(13) . . ?
F24 C56 F22 106.9(14) . . ?
F24 C56 F23 108.9(13) . . ?
F24 C56 C55 109.7(11) . . ?
N1 C57 H57A 108.6 . . ?
N1 C57 H57B 108.6 . . ?
H57A C57 H57B 107.6 . . ?
C58 C57 N1 114.7(16) . . ?
C58 C57 H57A 108.6 . . ?
C58 C57 H57B 108.6 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N1 C59 H59A 109.8 . . ?
N1 C59 H59B 109.8 . . ?
N1 C59 C60 109.5(14) . . ?
H59A C59 H59B 108.2 . . ?
C60 C59 H59A 109.8 . . ?
C60 C59 H59B 109.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N1 C61 H61A 108.8 . . ?
N1 C61 H61B 108.8 . . ?
N1 C61 C62 113.7(16) . . ?
H61A C61 H61B 107.7 . . ?
C62 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N2 C63 H63A 111.0 . . ?
N2 C63 H63B 111.0 . . ?
N2 C63 C64 104.0(18) . . ?
H63A C63 H63B 109.0 . . ?
C64 C63 H63A 111.0 . . ?
C64 C63 H63B 111.0 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N2 C65 H65A 108.1 . . ?
N2 C65 H65B 108.1 . . ?
N2 C65 C66 116.7(15) . . ?
H65A C65 H65B 107.3 . . ?
C66 C65 H65A 108.1 . . ?
C66 C65 H65B 108.1 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N2 C67 H67A 109.2 . . ?
N2 C67 H67B 109.2 . . ?
H67A C67 H67B 107.9 . . ?
C68 C67 N2 112(2) . . ?
C68 C67 H67A 109.2 . . ?
C68 C67 H67B 109.2 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
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 O3 2.330(7) . ?
Dy1 O4 2.342(8) . ?
Dy1 O7 2.321(7) . ?
Dy1 O8 2.346(8) . ?
Dy1 O11 2.315(8) . ?
Dy1 O12 2.398(7) . ?
Dy1 O15 2.337(7) . ?
Dy1 O16 2.363(8) . ?
Dy2 O1 2.361(8) . ?
Dy2 O2 2.329(7) . ?
Dy2 O5 2.338(8) . ?
Dy2 O6 2.328(7) . ?
Dy2 O9 2.352(8) . ?
Dy2 O10 2.317(8) . ?
Dy2 O13 2.394(7) . ?
Dy2 O14 2.354(7) . ?
F1 C1 1.304(9) . ?
F2 C1 1.341(9) . ?
F3 C1 1.299(9) . ?
F4 C14 1.271(18) . ?
F5 C14 1.38(2) . ?
F6 C14 1.213(18) . ?
F7 C15 1.265(16) . ?
F8 C15 1.304(17) . ?
F9 C15 1.326(16) . ?
F10 C28 1.229(18) . ?
F11 C28 1.36(2) . ?
F12 C28 1.186(17) . ?
F13 C29 1.312(18) . ?
F14 C29 1.29(2) . ?
F15 C29 1.332(18) . ?
F16 C42 1.191(17) . ?
F17 C42 1.335(19) . ?
F18 C42 1.249(18) . ?
F19 C43 1.329(16) . ?
F20 C43 1.320(19) . ?
F21 C43 1.297(16) . ?
F22 C56 1.343(15) . ?
F23 C56 1.314(15) . ?
F24 C56 1.283(15) . ?
N1 C57 1.493(19) . ?
N1 C59 1.509(18) . ?
N1 C61 1.47(2) . ?
N2 C63 1.39(2) . ?
N2 C65 1.446(19) . ?
N2 C67 1.68(3) . ?
O1 C2 1.259(14) . ?
O2 C4 1.235(13) . ?
O3 C11 1.267(12) . ?
O4 C13 1.241(14) . ?
O5 C16 1.237(13) . ?
O6 C18 1.263(12) . ?
O7 C25 1.263(13) . ?
O8 C27 1.280(14) . ?
O9 C30 1.267(15) . ?
O10 C32 1.243(13) . ?
O11 C39 1.255(13) . ?
O12 C41 1.249(14) . ?
O13 C44 1.263(12) . ?
O14 C46 1.237(12) . ?
O15 C53 1.238(12) . ?
O16 C55 1.251(14) . ?
C1 C2 1.522(9) . ?
C2 C3 1.362(16) . ?
C3 H3 0.9300 . ?
C3 C4 1.433(15) . ?
C4 C5 1.484(15) . ?
C5 C6 1.403(14) . ?
C5 C10 1.380(14) . ?
C6 H6 0.9300 . ?
C6 C7 1.383(14) . ?
C7 H7 0.9300 . ?
C7 C8 1.373(14) . ?
C8 H8 0.9300 . ?
C8 C9 1.410(15) . ?
C9 C10 1.384(14) . ?
C9 C11 1.481(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.404(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.388(16) . ?
C13 C14 1.505(18) . ?
C15 C16 1.558(17) . ?
C16 C17 1.374(16) . ?
C17 H17 0.9300 . ?
C17 C18 1.443(16) . ?
C18 C19 1.505(16) . ?
C19 C20 1.392(14) . ?
C19 C24 1.382(15) . ?
C20 H20 0.9300 . ?
C20 C21 1.381(16) . ?
C21 H21 0.9300 . ?
C21 C22 1.346(15) . ?
C22 H22 0.9300 . ?
C22 C23 1.393(14) . ?
C23 C24 1.405(15) . ?
C23 C25 1.465(15) . ?
C24 H24 0.9300 . ?
C25 C26 1.419(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.369(16) . ?
C27 C28 1.529(19) . ?
C29 C30 1.59(2) . ?
C30 C31 1.336(17) . ?
C31 H31 0.9300 . ?
C31 C32 1.416(15) . ?
C32 C33 1.482(16) . ?
C33 C34 1.396(16) . ?
C33 C38 1.409(16) . ?
C34 H34 0.9300 . ?
C34 C35 1.394(16) . ?
C35 H35 0.9300 . ?
C35 C36 1.367(16) . ?
C36 H36 0.9300 . ?
C36 C37 1.409(16) . ?
C37 C38 1.389(15) . ?
C37 C39 1.491(16) . ?
C38 H38 0.9300 . ?
C39 C40 1.426(15) . ?
C40 H40 0.9300 . ?
C40 C41 1.350(16) . ?
C41 C42 1.487(16) . ?
C43 C44 1.527(17) . ?
C44 C45 1.368(16) . ?
C45 H45 0.9300 . ?
C45 C46 1.433(15) . ?
C46 C47 1.503(15) . ?
C47 C48 1.388(14) . ?
C47 C52 1.375(14) . ?
C48 H48 0.9300 . ?
C48 C49 1.365(15) . ?
C49 H49 0.9300 . ?
C49 C50 1.412(15) . ?
C50 H50 0.9300 . ?
C50 C51 1.385(14) . ?
C51 C52 1.387(15) . ?
C51 C53 1.505(15) . ?
C52 H52 0.9300 . ?
C53 C54 1.424(15) . ?
C54 H54 0.9300 . ?
C54 C55 1.364(15) . ?
C55 C56 1.538(17) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.45(2) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C60 1.66(2) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C61 C62 1.51(2) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 C64 1.60(3) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C65 C66 1.52(2) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C67 C68 1.35(3) . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
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 O3 C11 C9 -163.3(7) . . . . ?
Dy1 O3 C11 C12 14.3(16) . . . . ?
Dy1 O4 C13 C12 -3(2) . . . . ?
Dy1 O4 C13 C14 175.4(10) . . . . ?
Dy1 O7 C25 C23 -162.9(7) . . . . ?
Dy1 O7 C25 C26 14.4(17) . . . . ?
Dy1 O8 C27 C26 -30.1(18) . . . . ?
Dy1 O8 C27 C28 146.5(10) . . . . ?
Dy1 O11 C39 C37 -160.7(7) . . . . ?
Dy1 O11 C39 C40 17.5(18) . . . . ?
Dy1 O12 C41 C40 -13(2) . . . . ?
Dy1 O12 C41 C42 161.8(10) . . . . ?
Dy1 O15 C53 C51 -162.5(7) . . . . ?
Dy1 O15 C53 C54 15.2(19) . . . . ?
Dy1 O16 C55 C54 -27.4(19) . . . . ?
Dy1 O16 C55 C56 152.7(8) . . . . ?
Dy2 O1 C2 C1 158.5(8) . . . . ?
Dy2 O1 C2 C3 -15(2) . . . . ?
Dy2 O2 C4 C3 11.1(18) . . . . ?
Dy2 O2 C4 C5 -166.6(7) . . . . ?
Dy2 O5 C16 C15 158.5(9) . . . . ?
Dy2 O5 C16 C17 -21(2) . . . . ?
Dy2 O6 C18 C17 14.4(18) . . . . ?
Dy2 O6 C18 C19 -159.4(7) . . . . ?
Dy2 O9 C30 C29 176.5(9) . . . . ?
Dy2 O9 C30 C31 -1(2) . . . . ?
Dy2 O10 C32 C31 8.6(18) . . . . ?
Dy2 O10 C32 C33 -168.9(7) . . . . ?
Dy2 O13 C44 C43 153.9(10) . . . . ?
Dy2 O13 C44 C45 -25(2) . . . . ?
Dy2 O14 C46 C45 17.4(18) . . . . ?
Dy2 O14 C46 C47 -160.2(7) . . . . ?
F1 C1 C2 O1 28.0(16) . . . . ?
F1 C1 C2 C3 -157.8(11) . . . . ?
F2 C1 C2 O1 -89.8(13) . . . . ?
F2 C1 C2 C3 84.5(14) . . . . ?
F3 C1 C2 O1 152.9(12) . . . . ?
F3 C1 C2 C3 -32.8(16) . . . . ?
F7 C15 C16 O5 60.9(17) . . . . ?
F7 C15 C16 C17 -119.3(15) . . . . ?
F8 C15 C16 O5 -59.6(17) . . . . ?
F8 C15 C16 C17 120.3(15) . . . . ?
F9 C15 C16 O5 -178.1(12) . . . . ?
F9 C15 C16 C17 2(2) . . . . ?
F13 C29 C30 O9 179.0(14) . . . . ?
F13 C29 C30 C31 -3(2) . . . . ?
F14 C29 C30 O9 -56.8(18) . . . . ?
F14 C29 C30 C31 121.3(16) . . . . ?
F15 C29 C30 O9 61.7(18) . . . . ?
F15 C29 C30 C31 -120.2(16) . . . . ?
F19 C43 C44 O13 165.4(13) . . . . ?
F19 C43 C44 C45 -15(2) . . . . ?
F20 C43 C44 O13 -76.1(16) . . . . ?
F20 C43 C44 C45 103.2(15) . . . . ?
F21 C43 C44 O13 43(2) . . . . ?
F21 C43 C44 C45 -137.4(14) . . . . ?
O1 C2 C3 C4 4(2) . . . . ?
O2 C4 C5 C6 -148.4(10) . . . . ?
O2 C4 C5 C10 32.0(14) . . . . ?
O3 C11 C12 C13 0.6(19) . . . . ?
O4 C13 C14 F4 -171.0(16) . . . . ?
O4 C13 C14 F5 77.4(17) . . . . ?
O4 C13 C14 F6 -34(2) . . . . ?
O5 C16 C17 C18 1(2) . . . . ?
O6 C18 C19 C20 -149.0(11) . . . . ?
O6 C18 C19 C24 29.7(16) . . . . ?
O7 C25 C26 C27 1.8(19) . . . . ?
O8 C27 C28 F10 -160.5(16) . . . . ?
O8 C27 C28 F11 95.4(15) . . . . ?
O8 C27 C28 F12 -7(3) . . . . ?
O9 C30 C31 C32 -1(2) . . . . ?
O10 C32 C33 C34 -151.6(11) . . . . ?
O10 C32 C33 C38 26.6(15) . . . . ?
O11 C39 C40 C41 0(2) . . . . ?
O12 C41 C42 F16 -158.0(18) . . . . ?
O12 C41 C42 F17 90.1(17) . . . . ?
O12 C41 C42 F18 -17(2) . . . . ?
O13 C44 C45 C46 6(2) . . . . ?
O14 C46 C47 C48 -148.7(12) . . . . ?
O14 C46 C47 C52 32.2(16) . . . . ?
O15 C53 C54 C55 -4(2) . . . . ?
O16 C55 C56 F22 160.2(11) . . . . ?
O16 C55 C56 F23 40.9(16) . . . . ?
O16 C55 C56 F24 -80.9(16) . . . . ?
C1 C2 C3 C4 -168.9(11) . . . . ?
C2 C3 C4 O2 -1.3(19) . . . . ?
C2 C3 C4 C5 176.3(11) . . . . ?
C3 C4 C5 C6 33.8(15) . . . . ?
C3 C4 C5 C10 -145.8(10) . . . . ?
C4 C5 C6 C7 177.5(9) . . . . ?
C4 C5 C10 C9 -177.8(9) . . . . ?
C5 C6 C7 C8 0.4(16) . . . . ?
C6 C5 C10 C9 2.6(15) . . . . ?
C6 C7 C8 C9 2.5(16) . . . . ?
C7 C8 C9 C10 -2.8(15) . . . . ?
C7 C8 C9 C11 177.3(9) . . . . ?
C8 C9 C10 C5 0.2(15) . . . . ?
C8 C9 C11 O3 -156.4(10) . . . . ?
C8 C9 C11 C12 26.0(16) . . . . ?
C9 C11 C12 C13 178.1(11) . . . . ?
C10 C5 C6 C7 -2.9(15) . . . . ?
C10 C9 C11 O3 23.7(14) . . . . ?
C10 C9 C11 C12 -153.9(10) . . . . ?
C11 C9 C10 C5 -179.9(9) . . . . ?
C11 C12 C13 O4 -6(2) . . . . ?
C11 C12 C13 C14 175.7(13) . . . . ?
C12 C13 C14 F4 8(2) . . . . ?
C12 C13 C14 F5 -104.1(16) . . . . ?
C12 C13 C14 F6 144.5(17) . . . . ?
C15 C16 C17 C18 -179.1(12) . . . . ?
C16 C17 C18 O6 3(2) . . . . ?
C16 C17 C18 C19 177.1(11) . . . . ?
C17 C18 C19 C20 36.9(17) . . . . ?
C17 C18 C19 C24 -144.4(11) . . . . ?
C18 C19 C20 C21 175.8(11) . . . . ?
C18 C19 C24 C23 -174.8(10) . . . . ?
C19 C20 C21 C22 -0.5(19) . . . . ?
C20 C19 C24 C23 4.0(17) . . . . ?
C20 C21 C22 C23 2.8(19) . . . . ?
C21 C22 C23 C24 -1.7(17) . . . . ?
C21 C22 C23 C25 175.7(11) . . . . ?
C22 C23 C24 C19 -1.8(17) . . . . ?
C22 C23 C25 O7 -141.6(11) . . . . ?
C22 C23 C25 C26 41.0(17) . . . . ?
C23 C25 C26 C27 179.0(11) . . . . ?
C24 C19 C20 C21 -2.8(18) . . . . ?
C24 C23 C25 O7 35.7(15) . . . . ?
C24 C23 C25 C26 -141.6(11) . . . . ?
C25 C23 C24 C19 -179.3(10) . . . . ?
C25 C26 C27 O8 8(2) . . . . ?
C25 C26 C27 C28 -168.7(13) . . . . ?
C26 C27 C28 F10 16(3) . . . . ?
C26 C27 C28 F11 -87.7(17) . . . . ?
C26 C27 C28 F12 170.0(19) . . . . ?
C29 C30 C31 C32 -178.1(12) . . . . ?
C30 C31 C32 O10 -3(2) . . . . ?
C30 C31 C32 C33 174.6(12) . . . . ?
C31 C32 C33 C34 30.8(17) . . . . ?
C31 C32 C33 C38 -151.0(11) . . . . ?
C32 C33 C34 C35 177.6(11) . . . . ?
C32 C33 C38 C37 -179.5(10) . . . . ?
C33 C34 C35 C36 1.2(19) . . . . ?
C34 C33 C38 C37 -1.2(17) . . . . ?
C34 C35 C36 C37 -0.1(19) . . . . ?
C35 C36 C37 C38 -1.6(17) . . . . ?
C35 C36 C37 C39 -178.4(10) . . . . ?
C36 C37 C38 C33 2.3(17) . . . . ?
C36 C37 C39 O11 -150.5(11) . . . . ?
C36 C37 C39 C40 31.3(17) . . . . ?
C37 C39 C40 C41 178.3(12) . . . . ?
C38 C33 C34 C35 -0.6(18) . . . . ?
C38 C37 C39 O11 32.7(15) . . . . ?
C38 C37 C39 C40 -145.6(12) . . . . ?
C39 C37 C38 C33 179.2(10) . . . . ?
C39 C40 C41 O12 -2(2) . . . . ?
C39 C40 C41 C42 -176.2(13) . . . . ?
C40 C41 C42 F16 17(3) . . . . ?
C40 C41 C42 F17 -94.6(17) . . . . ?
C40 C41 C42 F18 158.8(16) . . . . ?
C43 C44 C45 C46 -173.3(13) . . . . ?
C44 C45 C46 O14 0(2) . . . . ?
C44 C45 C46 C47 177.5(12) . . . . ?
C45 C46 C47 C48 33.6(18) . . . . ?
C45 C46 C47 C52 -145.5(11) . . . . ?
C46 C47 C48 C49 177.3(12) . . . . ?
C46 C47 C52 C51 -176.6(11) . . . . ?
C47 C48 C49 C50 0(2) . . . . ?
C48 C47 C52 C51 4.3(18) . . . . ?
C48 C49 C50 C51 2.5(19) . . . . ?
C49 C50 C51 C52 -1.9(18) . . . . ?
C49 C50 C51 C53 175.8(11) . . . . ?
C50 C51 C52 C47 -1.5(18) . . . . ?
C50 C51 C53 O15 -144.0(12) . . . . ?
C50 C51 C53 C54 38.3(17) . . . . ?
C51 C53 C54 C55 173.1(11) . . . . ?
C52 C47 C48 C49 -3.6(19) . . . . ?
C52 C51 C53 O15 33.8(16) . . . . ?
C52 C51 C53 C54 -144.0(12) . . . . ?
C53 C51 C52 C47 -179.3(11) . . . . ?
C53 C54 C55 O16 12(2) . . . . ?
C53 C54 C55 C56 -168.3(11) . . . . ?
C54 C55 C56 F22 -19.7(18) . . . . ?
C54 C55 C56 F23 -139.0(12) . . . . ?
C54 C55 C56 F24 99.2(15) . . . . ?
C57 N1 C59 C60 -64.7(18) . . . . ?
C57 N1 C61 C62 -176.6(16) . . . . ?
C59 N1 C57 C58 -159.1(15) . . . . ?
C59 N1 C61 C62 57(2) . . . . ?
C61 N1 C57 C58 72(2) . . . . ?
C61 N1 C59 C60 60(2) . . . . ?
C63 N2 C65 C66 -43(3) . . . . ?
C63 N2 C67 C68 -80(2) . . . . ?
C65 N2 C63 C64 -65(2) . . . . ?
C65 N2 C67 C68 148(2) . . . . ?
C67 N2 C63 C64 179.6(15) . . . . ?
C67 N2 C65 C66 71(2) . . . . ?
