#------------------------------------------------------------------------------
#$Date: 2025-07-06 18:28:51 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300764 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/79/7717940.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_7717940
loop_
_publ_author_name
'Liu, Cai-Ming'
'Hao, Xiang'
'Zhang, Yi-Quan'
_publ_section_title
;
 Homochiral Dy₂ zero-field single-molecule magnets derived from
 axial chiral ligands (R)/(S)-octahydro-1,1'-bi-2-naphthyl
 phosphate.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4159
_journal_page_last               4166
_journal_paper_doi               10.1039/d4dt03408b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety
'C65 H60 Dy2 F2 N8 O14 P2, 2(C H4 O), 2(C2 H3 N), C H2 Cl2, 2(H2 O)'
_chemical_formula_sum            'C72 H80 Cl2 Dy2 F2 N10 O18 P2'
_chemical_formula_weight         1869.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_block_doi                 10.5517/ccdc.csd.cc2kwjtt
_audit_creation_date             2024-10-16
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-10-17 deposited with the CCDC.	2025-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.5200(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.25120(10)
_cell_length_b                   26.5780(2)
_cell_length_c                   14.38300(10)
_cell_measurement_reflns_used    37113
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      75.3100
_cell_measurement_theta_min      3.1760
_cell_volume                     3715.80(6)
_computing_cell_refinement       'CrysAlisPro 1.171.43.114a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.114a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.114a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  28.00   0.50    0.05    --  -46.47  19.00-180.00   92
  2  ω    -20.00   7.00   0.50    0.05    --  -46.47  19.00 -90.00   54
  3  ω    -20.00  18.00   0.50    0.05    --  -46.47  19.00 -30.00   76
  4  ω    -68.00 -43.00   0.50    0.15    -- -103.72  61.00 150.00   50
  5  ω    -21.00  18.00   0.50    0.05    --  -46.47  19.00 150.00   78
  6  ω     46.00  95.00   0.50    0.15    --  103.72 -95.00  90.00   98
  7  ω     36.00 111.00   0.50    0.15    --  103.72-125.00  90.00  150
  8  ω     40.00  81.00   0.50    0.15    --  103.72-155.00  88.00   82
  9  ω     86.00 131.00   0.50    0.15    --  103.72-155.00  88.00   90
 10  ω     74.00 106.00   0.50    0.05    --   46.47-155.00  88.00   64
 11  ω     68.00  93.00   0.50    0.15    --  103.72-125.00 -60.00   50
 12  ω     43.00  69.00   0.50    0.05    --   46.47-121.00-114.00   52
 13  ω     70.00  97.00   0.50    0.15    --  103.72-121.00-114.00   54
 14  ω     80.00 108.00   0.50    0.15    --  103.72 -77.00 -90.00   56
 15  ω     33.00  75.00   0.50    0.15    --  103.72 -61.00-150.00   84
 16  ω     32.00  76.00   0.50    0.15    --  103.72 -77.00 -90.00   88
 17  ω     36.00  61.00   0.50    0.15    --  103.72 -61.00-120.00   50
 18  ω     36.00  75.00   0.50    0.15    --  103.72 -61.00 -90.00   78
 19  ω     34.00  75.00   0.50    0.15    --  103.72 -61.00 -60.00   82
 20  ω     38.00  75.00   0.50    0.15    --  103.72 -61.00 120.00   74
 21  ω   -118.00 -24.00   0.50    0.05    --  -46.47 -77.00-150.00  188
 22  ω   -114.00 -25.00   0.50    0.05    --  -46.47 -77.00-180.00  178
 23  ω   -167.00-141.00   0.50    0.15    -- -103.72 -30.00 120.00   52
 24  ω   -128.00 -98.00   0.50    0.15    -- -103.72 -30.00 120.00   60
 25  ω   -154.00-108.00   0.50    0.15    -- -103.72 -45.00 150.00   92
 26  ω    -99.00 -53.00   0.50    0.05    --  -46.47-155.00  88.00   92
 27  ω   -131.00-106.00   0.50    0.15    -- -103.72-155.00  88.00   50
 28  ω   -117.00 -88.00   0.50    0.15    -- -103.72-121.00-114.00   58
 29  ω   -142.00 -85.00   0.50    0.15    -- -103.72 -95.00-150.00  114
 30  ω   -106.00 -34.00   0.50    0.15    -- -103.72 121.00 -31.00  144
 31  ω   -122.00 -88.00   0.50    0.15    -- -103.72 138.00 100.14   68
 32  ω   -104.00 -31.00   0.50    0.15    -- -103.72 155.00 125.00  146
 33  ω   -122.00 -31.00   0.50    0.15    -- -103.72 141.00 162.89  182
 34  ω   -124.00 -93.00   0.50    0.15    -- -103.72 141.00 136.25   62
 35  ω    -95.00 -70.00   0.50    0.05    --  -46.47 155.00 125.00   50
 36  ω    -91.00 -46.00   0.50    0.15    -- -103.72 125.00  60.00   90
 37  ω   -110.00 -84.00   0.50    0.15    -- -103.72 125.00   0.00   52
 38  ω    -81.00 -34.00   0.50    0.15    -- -103.72 125.00   0.00   94
 39  ω    -58.00 -32.00   0.50    0.15    -- -103.72 138.00-107.49   52
 40  ω   -122.00 -91.00   0.50    0.15    -- -103.72 138.00-107.49   62
 41  ω    -90.00 -14.00   0.50    0.05    --  -46.47 121.00 -31.00  152
 42  ω     87.00 175.00   0.50    0.15    --  103.72  61.00-120.00  176
 43  ω    100.00 175.00   0.50    0.15    --  103.72  61.00 -60.00  150
 44  ω    121.00 155.00   0.50    0.15    --  103.72 121.00 -31.00   68
 45  ω     91.00 175.00   0.50    0.15    --  103.72  45.00  60.00  168
 46  ω     78.00 118.00   0.50    0.05    --   46.47 155.00 125.00   80
 47  ω     72.00 111.00   0.50    0.15    --  103.72 155.00 125.00   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1285992000
_diffrn_orient_matrix_UB_12      0.0168708000
_diffrn_orient_matrix_UB_13      -0.0252552000
_diffrn_orient_matrix_UB_21      0.0487164000
_diffrn_orient_matrix_UB_22      -0.0550786000
_diffrn_orient_matrix_UB_23      0.0053562000
_diffrn_orient_matrix_UB_31      -0.0790758000
_diffrn_orient_matrix_UB_32      -0.0065442000
_diffrn_orient_matrix_UB_33      -0.1098763000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            53129
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.503
_diffrn_reflns_theta_min         3.326
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    12.399
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.114a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_description       block
_exptl_crystal_F_000             1880
_exptl_crystal_preparation       'Magnetic properties'
_refine_diff_density_max         1.183
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.096
_refine_ls_abs_structure_details
;
 Flack x determined using 6350 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0023(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     977
_refine_ls_number_reflns         14920
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0385
_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)+(0.0564P)²+7.7012P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1076
_reflns_Friedel_coverage         0.916
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.934
_reflns_number_gt                14338
_reflns_number_total             14920
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03408b2.cif
_cod_data_source_block           2s
_cod_depositor_comments
'Adding full bibliography for 7717939--7717940.cif.'
_cod_database_code               7717940
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CHONPDy
_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.
;
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O14-C66
 1.42 with sigma of 0.01
 C67-O15
 1.42 with sigma of 0.01
 C31-C30
 1.52 with sigma of 0.01
 C30-C29
 1.52 with sigma of 0.01
 C32-C31
 1.52 with sigma of 0.01
 O13-H13
 0.87 with sigma of 0.01
 C65-H13
 1.880684 with sigma of 0.02
 Dy1-H13
 2.879925 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C72) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(O2W) \\sim Ueq, Uanis(O3W)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Riding coordinates:
 O1W(H1WA,H1WB), O13(H13), O14(H14A), O15(H15A), C71(H71A,H71B,H71C), O2W(H2WA,
 H2WB), O3W(H3WA,H3WB)
4.b Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C37(H37A,
 H37B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B), C49(H49A,H49B),
 C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C57(H57A,H57B), C58(H58A,H58B),
  C59(H59A,H59B), C60(H60A,H60B), C72(H72A,H72B)
4.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C19(H19), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27),
  C42(H42), C43(H43), C46(H46), C47(H47), C62(H62), C63(H63)
4.d Idealised Me refined as rotating group:
 C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C67(H67A,H67B,H67C), C69(H69A,H69B,
 H69C)
;
_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 1.353
_oxdiff_exptl_absorpt_empirical_full_min 0.829
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C -0.0752(8) 0.5322(3) 0.5416(6) 0.0289(15) Uani 1 1 d . . . . .
C2 C -0.1804(9) 0.5346(3) 0.4514(6) 0.0340(17) Uani 1 1 d . . . . .
H2 H -0.162367 0.523415 0.393933 0.041 Uiso 1 1 calc R U . . .
C3 C -0.3099(9) 0.5527(3) 0.4438(6) 0.0351(17) Uani 1 1 d . . . . .
H3 H -0.380621 0.553724 0.382235 0.042 Uiso 1 1 calc R U . . .
C4 C -0.3337(8) 0.5693(3) 0.5274(6) 0.0311(16) Uani 1 1 d . . . . .
C5 C -0.2367(8) 0.5689(3) 0.6172(6) 0.0313(16) Uani 1 1 d . . . . .
H5 H -0.257672 0.580821 0.673084 0.038 Uiso 1 1 calc R U . . .
C6 C -0.1042(7) 0.5505(3) 0.6260(6) 0.0255(14) Uani 1 1 d . . . . .
C7 C -0.0061(8) 0.5502(3) 0.7226(6) 0.0292(15) Uani 1 1 d . . . . .
H7 H -0.038999 0.559447 0.774955 0.035 Uiso 1 1 calc R U . . .
C8 C 0.3115(7) 0.5168(3) 0.8685(5) 0.0273(14) Uani 1 1 d . . . . .
C9 C 0.4002(8) 0.5156(3) 0.9723(5) 0.0292(14) Uani 1 1 d . . . . .
C10 C 0.3622(9) 0.5337(3) 1.0502(6) 0.0327(17) Uani 1 1 d . . . . .
H10 H 0.274948 0.549476 1.036414 0.039 Uiso 1 1 calc R U . . .
C11 C 0.5646(10) 0.5089(3) 1.1575(6) 0.041(2) Uani 1 1 d . . . . .
H11 H 0.625637 0.505536 1.222511 0.050 Uiso 1 1 calc R U . . .
C12 C 0.6056(9) 0.4917(3) 1.0808(6) 0.0370(18) Uani 1 1 d . . . . .
H12 H 0.694746 0.477437 1.094720 0.044 Uiso 1 1 calc R U . . .
C13 C 0.9249(8) 0.4529(3) 0.9326(6) 0.0300(16) Uani 1 1 d . . . . .
C14 C 1.0320(9) 0.4501(3) 1.0239(6) 0.0385(18) Uani 1 1 d . . . . .
H14 H 1.014093 0.460917 1.081628 0.046 Uiso 1 1 calc R U . . .
C15 C 1.1606(9) 0.4323(3) 1.0311(7) 0.0399(19) Uani 1 1 d . . . . .
H15 H 1.230349 0.430229 1.092977 0.048 Uiso 1 1 calc R U . . .
C16 C 1.1868(9) 0.4173(3) 0.9467(7) 0.0382(18) Uani 1 1 d . . . . .
C17 C 1.0886(8) 0.4195(3) 0.8567(7) 0.0349(17) Uani 1 1 d . . . . .
H17 H 1.110248 0.409494 0.799920 0.042 Uiso 1 1 calc R U . . .
C18 C 0.9560(7) 0.4365(3) 0.8482(6) 0.0274(15) Uani 1 1 d . . . . .
C19 C 0.8574(8) 0.4379(3) 0.7506(6) 0.0282(15) Uani 1 1 d . . . . .
H19 H 0.891026 0.430649 0.697664 0.034 Uiso 1 1 calc R U . . .
C20 C 0.5395(7) 0.4683(3) 0.6068(5) 0.0235(13) Uani 1 1 d . . . . .
C21 C 0.4510(7) 0.4713(3) 0.5025(5) 0.0254(13) Uani 1 1 d . . . . .
C22 C 0.4942(9) 0.4544(3) 0.4254(6) 0.0316(16) Uani 1 1 d . . . . .
H22 H 0.582509 0.439376 0.440011 0.038 Uiso 1 1 calc R U . . .
C23 C 0.2941(10) 0.4806(3) 0.3163(6) 0.040(2) Uani 1 1 d . . . . .
H23 H 0.237073 0.486058 0.250678 0.048 Uiso 1 1 calc R U . . .
C24 C 0.2469(10) 0.4958(3) 0.3920(6) 0.0383(18) Uani 1 1 d . . . . .
H24 H 0.156925 0.509486 0.377247 0.046 Uiso 1 1 calc R U . . .
C25 C 0.5879(9) 0.6575(3) 0.9400(6) 0.0315(16) Uani 1 1 d . . . . .
C26 C 0.6344(10) 0.6409(3) 1.0363(6) 0.0399(19) Uani 1 1 d . . . . .
H26 H 0.594246 0.612635 1.057103 0.048 Uiso 1 1 calc R U . . .
C27 C 0.7424(11) 0.6674(4) 1.1015(6) 0.044(2) Uani 1 1 d . . . . .
H27 H 0.775677 0.657048 1.168087 0.053 Uiso 1 1 calc R U . . .
C28 C 0.8029(10) 0.7087(3) 1.0718(7) 0.044(2) Uani 1 1 d . . . . .
C29 C 0.9232(12) 0.7338(4) 1.1465(8) 0.062(3) Uani 1 1 d D . . . .
H29A H 0.896519 0.741206 1.205474 0.074 Uiso 1 1 calc R U . . .
H29B H 1.000381 0.709587 1.166059 0.074 Uiso 1 1 calc R U . . .
C30 C 0.974(2) 0.7812(6) 1.1150(10) 0.114(6) Uani 1 1 d D U . . .
H30A H 0.924057 0.809952 1.131674 0.137 Uiso 1 1 calc R U . . .
H30B H 1.072720 0.785224 1.152534 0.137 Uiso 1 1 calc R U . . .
C31 C 0.9574(15) 0.7833(7) 1.0096(9) 0.105(6) Uani 1 1 d D . . . .
H31A H 1.032657 0.763321 0.998574 0.125 Uiso 1 1 calc R U . . .
H31B H 0.971287 0.818684 0.993149 0.125 Uiso 1 1 calc R U . . .
C32 C 0.8254(12) 0.7656(4) 0.9383(9) 0.067(3) Uani 1 1 d D . . . .
H32A H 0.844144 0.753474 0.878740 0.081 Uiso 1 1 calc R U . . .
H32B H 0.762471 0.794767 0.918916 0.081 Uiso 1 1 calc R U . . .
C33 C 0.7526(9) 0.7247(3) 0.9739(7) 0.0391(19) Uani 1 1 d . . . . .
C34 C 0.6390(9) 0.7001(3) 0.9082(6) 0.0315(16) Uani 1 1 d . . . . .
C35 C 0.5753(8) 0.7170(3) 0.8038(6) 0.0300(15) Uani 1 1 d . . . . .
C36 C 0.5182(8) 0.7653(3) 0.7777(5) 0.0291(15) Uani 1 1 d . . . . .
C37 C 0.4967(11) 0.8007(3) 0.8533(6) 0.044(2) Uani 1 1 d . . . . .
H37A H 0.573209 0.796508 0.915433 0.053 Uiso 1 1 calc R U . . .
H37B H 0.410245 0.791613 0.866009 0.053 Uiso 1 1 calc R U . . .
C38 C 0.4894(11) 0.8552(3) 0.8223(7) 0.047(2) Uani 1 1 d . . . . .
H38A H 0.466070 0.876454 0.871228 0.057 Uiso 1 1 calc R U . . .
H38B H 0.579988 0.866101 0.818617 0.057 Uiso 1 1 calc R U . . .
C39 C 0.3819(10) 0.8612(3) 0.7238(7) 0.045(2) Uani 1 1 d . . . . .
H39A H 0.372914 0.897253 0.705498 0.053 Uiso 1 1 calc R U . . .
H39B H 0.291979 0.849489 0.727515 0.053 Uiso 1 1 calc R U . . .
C40 C 0.4189(9) 0.8317(3) 0.6467(6) 0.0383(18) Uani 1 1 d . . . . .
H40A H 0.490497 0.850300 0.628105 0.046 Uiso 1 1 calc R U . . .
H40B H 0.336717 0.829248 0.587700 0.046 Uiso 1 1 calc R U . . .
C41 C 0.4714(8) 0.7789(3) 0.6784(6) 0.0309(15) Uani 1 1 d . . . . .
C42 C 0.4725(9) 0.7437(3) 0.6068(6) 0.0351(17) Uani 1 1 d . . . . .
H42 H 0.440757 0.753182 0.539704 0.042 Uiso 1 1 calc R U . . .
C43 C 0.5190(8) 0.6951(3) 0.6318(6) 0.0333(16) Uani 1 1 d . . . . .
H43 H 0.515625 0.670968 0.582402 0.040 Uiso 1 1 calc R U . . .
C44 C 0.5699(8) 0.6826(3) 0.7288(6) 0.0292(15) Uani 1 1 d . . . . .
C45 C 0.4468(8) 0.3189(3) 0.6074(5) 0.0260(14) Uani 1 1 d . . . . .
C46 C 0.5882(8) 0.3213(3) 0.6316(5) 0.0297(15) Uani 1 1 d . . . . .
H46 H 0.632962 0.352177 0.627537 0.036 Uiso 1 1 calc R U . . .
C47 C 0.6633(8) 0.2774(3) 0.6620(5) 0.0310(15) Uani 1 1 d . . . . .
H47 H 0.760493 0.278083 0.676893 0.037 Uiso 1 1 calc R U . . .
C48 C 0.5989(8) 0.2322(3) 0.6711(6) 0.0304(15) Uani 1 1 d . . . . .
C49 C 0.6901(9) 0.1879(3) 0.7151(7) 0.042(2) Uani 1 1 d . . . . .
H49A H 0.743850 0.196110 0.783693 0.051 Uiso 1 1 calc R U . . .
H49B H 0.756012 0.182766 0.678412 0.051 Uiso 1 1 calc R U . . .
C50 C 0.6124(10) 0.1392(3) 0.7140(8) 0.045(2) Uani 1 1 d . . . . .
H50A H 0.672433 0.114953 0.760528 0.054 Uiso 1 1 calc R U . . .
H50B H 0.585527 0.124203 0.647618 0.054 Uiso 1 1 calc R U . . .
C51 C 0.4848(10) 0.1495(3) 0.7430(7) 0.043(2) Uani 1 1 d . . . . .
H51A H 0.510987 0.166401 0.807639 0.051 Uiso 1 1 calc R U . . .
H51B H 0.438632 0.117409 0.748161 0.051 Uiso 1 1 calc R U . . .
C52 C 0.3867(9) 0.1831(3) 0.6655(7) 0.0369(18) Uani 1 1 d . . . . .
H52A H 0.349386 0.163797 0.603921 0.044 Uiso 1 1 calc R U . . .
H52B H 0.308436 0.192784 0.688132 0.044 Uiso 1 1 calc R U . . .
C53 C 0.4553(8) 0.2301(3) 0.6451(5) 0.0273(14) Uani 1 1 d . . . . .
C54 C 0.3768(8) 0.2744(3) 0.6094(5) 0.0270(14) Uani 1 1 d . . . . .
C55 C 0.2253(8) 0.2761(3) 0.5835(6) 0.0294(15) Uani 1 1 d . . . . .
C56 C 0.1341(8) 0.2479(3) 0.5056(6) 0.0318(16) Uani 1 1 d . . . . .
C57 C 0.1917(9) 0.2168(4) 0.4385(7) 0.043(2) Uani 1 1 d . . . . .
H57A H 0.264498 0.236564 0.423615 0.052 Uiso 1 1 calc R U . . .
H57B H 0.234956 0.186122 0.474003 0.052 Uiso 1 1 calc R U . . .
C58 C 0.0854(10) 0.2015(4) 0.3429(7) 0.050(2) Uani 1 1 d . . . . .
H58A H 0.058303 0.231107 0.299361 0.060 Uiso 1 1 calc R U . . .
H58B H 0.125315 0.176049 0.309488 0.060 Uiso 1 1 calc R U . . .
C59 C -0.0399(11) 0.1798(5) 0.3623(9) 0.059(3) Uani 1 1 d . . . . .
H59A H -0.012226 0.151067 0.408204 0.070 Uiso 1 1 calc R U . . .
H59B H -0.105695 0.167316 0.300210 0.070 Uiso 1 1 calc R U . . .
C60 C -0.1086(9) 0.2201(4) 0.4063(8) 0.049(2) Uani 1 1 d . . . . .
H60A H -0.159193 0.243576 0.353785 0.059 Uiso 1 1 calc R U . . .
H60B H -0.176417 0.203844 0.432611 0.059 Uiso 1 1 calc R U . . .
C61 C -0.0073(8) 0.2496(3) 0.4873(6) 0.0355(17) Uani 1 1 d . . . . .
C62 C -0.0602(8) 0.2810(3) 0.5457(7) 0.0371(18) Uani 1 1 d . . . . .
H62 H -0.156430 0.281335 0.535441 0.044 Uiso 1 1 calc R U . . .
C63 C 0.0255(8) 0.3115(3) 0.6181(6) 0.0343(16) Uani 1 1 d . . . . .
H63 H -0.011530 0.333419 0.655498 0.041 Uiso 1 1 calc R U . . .
C64 C 0.1658(8) 0.3094(3) 0.6345(6) 0.0285(15) Uani 1 1 d . . . . .
C65 C 0.7383(11) 0.3709(5) 1.0162(9) 0.062(3) Uani 1 1 d D . . . .
H65A H 0.806882 0.397086 1.044479 0.094 Uiso 1 1 calc R U . . .
H65B H 0.780195 0.344321 0.987963 0.094 Uiso 1 1 calc R U . . .
H65C H 0.705662 0.356671 1.067641 0.094 Uiso 1 1 calc R U . . .
C66 C -0.0432(16) 0.6347(6) 0.3578(11) 0.091(5) Uani 1 1 d D . . . .
H66A H -0.065436 0.628282 0.418165 0.136 Uiso 1 1 calc R U . . .
H66B H -0.118442 0.622568 0.301354 0.136 Uiso 1 1 calc R U . . .
H66C H -0.030789 0.670917 0.351011 0.136 Uiso 1 1 calc R U . . .
Dy1 Dy 0.58722(4) 0.46547(2) 0.83761(3) 0.02466(11) Uani 1 1 d D . . . .
Dy2 Dy 0.26071(4) 0.51711(2) 0.63813(3) 0.02470(11) Uani 1 1 d . . . . .
F1 F -0.4642(5) 0.5857(2) 0.5201(4) 0.0437(12) Uani 1 1 d . . . . .
F2 F 1.3156(5) 0.4009(2) 0.9543(4) 0.0502(13) Uani 1 1 d . . . . .
N1 N 0.1243(7) 0.5386(2) 0.7458(4) 0.0281(13) Uani 1 1 d . . . . .
N2 N 0.1932(7) 0.5409(3) 0.8480(5) 0.0296(13) Uani 1 1 d . . . . .
N3 N 0.5246(7) 0.4943(2) 0.9877(5) 0.0285(13) Uani 1 1 d . . . . .
N4 N 0.4413(8) 0.5303(3) 1.1432(5) 0.0384(16) Uani 1 1 d . . . . .
N5 N 0.7270(7) 0.4481(2) 0.7286(4) 0.0262(12) Uani 1 1 d . . . . .
N6 N 0.6601(7) 0.4478(2) 0.6265(5) 0.0277(13) Uani 1 1 d . . . . .
N7 N 0.3271(7) 0.4916(2) 0.4865(5) 0.0284(13) Uani 1 1 d . . . . .
N8 N 0.4160(8) 0.4586(3) 0.3312(5) 0.0414(17) Uani 1 1 d . . . . .
O1 O 0.0455(5) 0.5134(2) 0.5457(4) 0.0341(12) Uani 1 1 d . . . . .
O1W O 0.2285(7) 0.5920(2) 0.5396(5) 0.0425(14) Uani 1 1 d . . . . .
H1WA H 0.302957 0.598212 0.524890 0.064 Uiso 1 1 d R U . . .
H1WB H 0.166417 0.586282 0.483680 0.064 Uiso 1 1 d R U . . .
O2 O 0.3578(5) 0.49401(19) 0.8057(4) 0.0259(10) Uani 1 1 d . . . . .
O3 O 0.8042(5) 0.4704(2) 0.9285(4) 0.0333(11) Uani 1 1 d . . . . .
O4 O 0.4879(5) 0.48854(19) 0.6704(3) 0.0265(10) Uani 1 1 d . . . . .
O5 O 0.3898(6) 0.58694(19) 0.7158(4) 0.0313(11) Uani 1 1 d . . . . .
O6 O 0.6127(6) 0.5532(2) 0.8396(4) 0.0314(12) Uani 1 1 d . . . . .
O7 O 0.4827(6) 0.6300(2) 0.8732(4) 0.0311(11) Uani 1 1 d . . . . .
O8 O 0.6182(6) 0.63334(19) 0.7558(4) 0.0296(11) Uani 1 1 d . . . . .
O9 O 0.2304(5) 0.42893(19) 0.6322(4) 0.0284(11) Uani 1 1 d . . . . .
O10 O 0.4517(6) 0.39709(19) 0.7602(4) 0.0305(11) Uani 1 1 d . . . . .
O11 O 0.3700(6) 0.36368(19) 0.5844(4) 0.0292(11) Uani 1 1 d . . . . .
O12 O 0.2519(6) 0.3405(2) 0.7068(4) 0.0307(11) Uani 1 1 d . . . . .
O13 O 0.6273(7) 0.3920(2) 0.9427(5) 0.0430(14) Uani 1 1 d D . . . .
H13 H 0.557828 0.373572 0.933714 0.064 Uiso 1 1 d DR U . . .
O14 O 0.0782(12) 0.6095(5) 0.3619(8) 0.102(4) Uani 1 1 d D . . . .
H14A H 0.073732 0.599771 0.305645 0.153 Uiso 1 1 d R U . . .
P1 P 0.5227(2) 0.59663(7) 0.79389(14) 0.0275(4) Uani 1 1 d . . . . .
P2 P 0.3284(2) 0.38708(7) 0.67384(14) 0.0265(4) Uani 1 1 d . . . . .
C67 C 0.5040(19) 0.2711(5) 0.8862(10) 0.088(5) Uani 1 1 d D . . . .
H67A H 0.545794 0.251430 0.945951 0.131 Uiso 1 1 calc R U . . .
H67B H 0.574875 0.280153 0.856740 0.131 Uiso 1 1 calc R U . . .
H67C H 0.432649 0.250925 0.839514 0.131 Uiso 1 1 calc R U . . .
O15 O 0.4455(9) 0.3146(3) 0.9094(6) 0.066(2) Uani 1 1 d D . . . .
H15A H 0.388146 0.326052 0.858658 0.098 Uiso 1 1 d R U . . .
C68 C -0.0085(14) 0.5825(6) 0.0893(13) 0.078(4) Uani 1 1 d . . . . .
C69 C -0.0692(13) 0.5848(5) -0.0148(10) 0.070(3) Uani 1 1 d . . . . .
H69A H -0.154562 0.565207 -0.034669 0.105 Uiso 1 1 calc R U . . .
H69B H -0.004976 0.570849 -0.046099 0.105 Uiso 1 1 calc R U . . .
H69C H -0.089474 0.619898 -0.035160 0.105 Uiso 1 1 calc R U . . .
N9 N 0.0395(16) 0.5806(7) 0.1708(11) 0.112(5) Uani 1 1 d . . . . .
C70 C -0.0639(16) 0.4297(6) 0.3308(13) 0.094(5) Uani 1 1 d . . . . .
C71 C -0.041(2) 0.4080(7) 0.4301(12) 0.115(7) Uani 1 1 d . . . . .
H71A H 0.056765 0.409362 0.468717 0.172 Uiso 1 1 d R U . . .
H71B H -0.093735 0.429112 0.460947 0.172 Uiso 1 1 d R U . . .
H71C H -0.073235 0.373172 0.426807 0.172 Uiso 1 1 d R U . . .
N10 N -0.0903(13) 0.4493(6) 0.2606(10) 0.095(4) Uani 1 1 d . . . . .
C72 C 0.160(3) 0.6551(11) 0.8995(19) 0.146(9) Uani 1 1 d . U . . .
H72A H 0.059588 0.650303 0.879768 0.176 Uiso 1 1 calc R U . . .
H72B H 0.203538 0.628852 0.869998 0.176 Uiso 1 1 calc R U . . .
Cl1 Cl 0.215(2) 0.7237(10) 0.8776(14) 0.413(13) Uani 1 1 d . . . . .
Cl2 Cl 0.2333(15) 0.6610(6) 1.0188(13) 0.312(9) Uani 1 1 d . . . . .
O2W O -0.196(2) 0.8486(8) 0.663(2) 0.209(9) Uani 1 1 d . U . . .
H2WA H -0.265122 0.861277 0.677554 0.314 Uiso 1 1 d R U . . .
H2WB H -0.214832 0.847157 0.599954 0.314 Uiso 1 1 d R U . . .
O3W O 0.005(3) 0.8234(7) 0.7725(16) 0.194(8) Uani 1 1 d . U . . .
H3WA H 0.024228 0.824856 0.835858 0.292 Uiso 1 1 d R U . . .
H3WB H 0.074538 0.810746 0.758258 0.292 Uiso 1 1 d 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'
N N 0.0311 0.0180 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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'
Cl Cl 0.3639 0.7018 '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
C2 C1 C6 117.8(7) . . ?
O1 C1 C2 119.6(7) . . ?
O1 C1 C6 122.6(7) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.7(7) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3 120.8 . . ?
C4 C3 C2 118.4(7) . . ?
C4 C3 H3 120.8 . . ?
C3 C4 F1 118.2(7) . . ?
C5 C4 C3 123.5(7) . . ?
C5 C4 F1 118.3(7) . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.8(7) . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C7 123.5(7) . . ?
C5 C6 C1 119.8(7) . . ?
C5 C6 C7 116.6(7) . . ?
C6 C7 H7 116.8 . . ?
N1 C7 C6 126.4(7) . . ?
N1 C7 H7 116.8 . . ?
N2 C8 C9 117.6(6) . . ?
O2 C8 C9 116.6(7) . . ?
O2 C8 N2 125.8(6) . . ?
C10 C9 C8 124.6(7) . . ?
N3 C9 C8 114.9(6) . . ?
N3 C9 C10 120.5(7) . . ?
C9 C10 H10 118.2 . . ?
N4 C10 C9 123.6(8) . . ?
N4 C10 H10 118.2 . . ?
C12 C11 H11 119.0 . . ?
N4 C11 H11 119.0 . . ?
N4 C11 C12 122.1(8) . . ?
C11 C12 H12 118.8 . . ?
N3 C12 C11 122.4(8) . . ?
N3 C12 H12 118.8 . . ?
C18 C13 C14 117.3(7) . . ?
O3 C13 C14 120.2(7) . . ?
O3 C13 C18 122.6(7) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 C13 121.9(8) . . ?
C15 C14 H14 119.1 . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.9(8) . . ?
C16 C15 H15 120.6 . . ?
C17 C16 C15 122.0(8) . . ?
F2 C16 C15 118.4(8) . . ?
F2 C16 C17 119.6(8) . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(8) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C19 123.0(7) . . ?
C17 C18 C13 120.0(7) . . ?
C17 C18 C19 116.9(7) . . ?
C18 C19 H19 117.0 . . ?
N5 C19 C18 126.1(7) . . ?
N5 C19 H19 117.0 . . ?
N6 C20 C21 118.4(6) . . ?
N6 C20 O4 126.1(6) . . ?
O4 C20 C21 115.5(6) . . ?
C22 C21 C20 122.6(7) . . ?
N7 C21 C20 116.0(6) . . ?
N7 C21 C22 121.3(7) . . ?
C21 C22 H22 118.7 . . ?
N8 C22 C21 122.5(8) . . ?
N8 C22 H22 118.7 . . ?
C24 C23 H23 118.5 . . ?
N8 C23 H23 118.5 . . ?
N8 C23 C24 123.0(8) . . ?
C23 C24 H24 119.6 . . ?
N7 C24 C23 120.8(8) . . ?
N7 C24 H24 119.6 . . ?
C26 C25 O7 117.8(7) . . ?
C34 C25 C26 123.0(8) . . ?
C34 C25 O7 119.3(7) . . ?
C25 C26 H26 121.3 . . ?
C25 C26 C27 117.4(8) . . ?
C27 C26 H26 121.3 . . ?
C26 C27 H27 119.1 . . ?
C28 C27 C26 121.9(8) . . ?
C28 C27 H27 119.1 . . ?
C27 C28 C29 118.3(9) . . ?
C27 C28 C33 119.3(8) . . ?
C33 C28 C29 122.4(9) . . ?
C28 C29 H29A 108.2 . . ?
C28 C29 H29B 108.2 . . ?
H29A C29 H29B 107.3 . . ?
C30 C29 C28 116.4(10) . . ?
C30 C29 H29A 108.2 . . ?
C30 C29 H29B 108.2 . . ?
C29 C30 H30A 108.7 . . ?
C29 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
C31 C30 C29 114.1(13) . . ?
C31 C30 H30A 108.7 . . ?
C31 C30 H30B 108.7 . . ?
C30 C31 H31A 107.7 . . ?
C30 C31 H31B 107.7 . . ?
C30 C31 C32 118.6(13) . . ?
H31A C31 H31B 107.1 . . ?
C32 C31 H31A 107.7 . . ?
C32 C31 H31B 107.7 . . ?
C31 C32 H32A 108.3 . . ?
C31 C32 H32B 108.3 . . ?
C31 C32 C33 115.9(10) . . ?
H32A C32 H32B 107.4 . . ?
C33 C32 H32A 108.3 . . ?
C33 C32 H32B 108.3 . . ?
C28 C33 C32 119.9(8) . . ?
C28 C33 C34 119.7(8) . . ?
C34 C33 C32 120.3(8) . . ?
C25 C34 C33 118.5(8) . . ?
C25 C34 C35 119.0(7) . . ?
C33 C34 C35 122.5(7) . . ?
C36 C35 C34 123.3(7) . . ?
C44 C35 C34 118.2(7) . . ?
C44 C35 C36 118.5(7) . . ?
C35 C36 C37 121.3(7) . . ?
C41 C36 C35 119.0(7) . . ?
C41 C36 C37 119.5(7) . . ?
C36 C37 H37A 109.0 . . ?
C36 C37 H37B 109.0 . . ?
C36 C37 C38 113.0(8) . . ?
H37A C37 H37B 107.8 . . ?
C38 C37 H37A 109.0 . . ?
C38 C37 H37B 109.0 . . ?
C37 C38 H38A 109.8 . . ?
C37 C38 H38B 109.8 . . ?
H38A C38 H38B 108.2 . . ?
C39 C38 C37 109.5(8) . . ?
C39 C38 H38A 109.8 . . ?
C39 C38 H38B 109.8 . . ?
C38 C39 H39A 109.4 . . ?
C38 C39 H39B 109.4 . . ?
C38 C39 C40 111.0(8) . . ?
H39A C39 H39B 108.0 . . ?
C40 C39 H39A 109.4 . . ?
C40 C39 H39B 109.4 . . ?
C39 C40 H40A 108.7 . . ?
C39 C40 H40B 108.7 . . ?
C39 C40 C41 114.1(7) . . ?
H40A C40 H40B 107.6 . . ?
C41 C40 H40A 108.7 . . ?
C41 C40 H40B 108.7 . . ?
C36 C41 C40 121.2(7) . . ?
C42 C41 C36 119.9(7) . . ?
C42 C41 C40 118.9(7) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 C41 121.2(7) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 120.6 . . ?
C44 C43 C42 118.7(7) . . ?
C44 C43 H43 120.6 . . ?
C35 C44 O8 118.0(7) . . ?
C43 C44 C35 122.4(7) . . ?
C43 C44 O8 119.6(7) . . ?
C46 C45 C54 122.9(7) . . ?
C46 C45 O11 118.9(7) . . ?
C54 C45 O11 118.1(6) . . ?
C45 C46 H46 120.9 . . ?
C45 C46 C47 118.1(7) . . ?
C47 C46 H46 120.9 . . ?
C46 C47 H47 119.3 . . ?
C46 C47 C48 121.4(7) . . ?
C48 C47 H47 119.3 . . ?
C47 C48 C49 117.4(7) . . ?
C47 C48 C53 119.9(7) . . ?
C53 C48 C49 122.6(7) . . ?
C48 C49 H49A 108.7 . . ?
C48 C49 H49B 108.7 . . ?
C48 C49 C50 114.1(7) . . ?
H49A C49 H49B 107.6 . . ?
C50 C49 H49A 108.7 . . ?
C50 C49 H49B 108.7 . . ?
C49 C50 H50A 109.7 . . ?
C49 C50 H50B 109.7 . . ?
C49 C50 C51 109.8(8) . . ?
H50A C50 H50B 108.2 . . ?
C51 C50 H50A 109.7 . . ?
C51 C50 H50B 109.7 . . ?
C50 C51 H51A 109.8 . . ?
C50 C51 H51B 109.8 . . ?
C50 C51 C52 109.3(8) . . ?
H51A C51 H51B 108.3 . . ?
C52 C51 H51A 109.8 . . ?
C52 C51 H51B 109.8 . . ?
C51 C52 H52A 109.0 . . ?
C51 C52 H52B 109.0 . . ?
H52A C52 H52B 107.8 . . ?
C53 C52 C51 112.7(7) . . ?
C53 C52 H52A 109.0 . . ?
C53 C52 H52B 109.0 . . ?
C48 C53 C52 119.9(7) . . ?
C48 C53 C54 119.2(7) . . ?
C54 C53 C52 120.6(7) . . ?
C45 C54 C53 118.3(7) . . ?
C45 C54 C55 118.4(6) . . ?
C53 C54 C55 123.0(7) . . ?
C56 C55 C54 123.8(7) . . ?
C64 C55 C54 118.9(7) . . ?
C64 C55 C56 117.2(7) . . ?
C55 C56 C57 119.6(7) . . ?
C61 C56 C55 121.1(7) . . ?
C61 C56 C57 119.2(7) . . ?
C56 C57 H57A 108.7 . . ?
C56 C57 H57B 108.7 . . ?
H57A C57 H57B 107.6 . . ?
C58 C57 C56 114.2(8) . . ?
C58 C57 H57A 108.7 . . ?
C58 C57 H57B 108.7 . . ?
C57 C58 H58A 109.6 . . ?
C57 C58 H58B 109.6 . . ?
H58A C58 H58B 108.2 . . ?
C59 C58 C57 110.1(9) . . ?
C59 C58 H58A 109.6 . . ?
C59 C58 H58B 109.6 . . ?
C58 C59 H59A 109.7 . . ?
C58 C59 H59B 109.7 . . ?
C58 C59 C60 109.9(9) . . ?
H59A C59 H59B 108.2 . . ?
C60 C59 H59A 109.7 . . ?
C60 C59 H59B 109.7 . . ?
C59 C60 H60A 109.0 . . ?
C59 C60 H60B 109.0 . . ?
H60A C60 H60B 107.8 . . ?
C61 C60 C59 112.9(8) . . ?
C61 C60 H60A 109.0 . . ?
C61 C60 H60B 109.0 . . ?
C56 C61 C60 123.3(8) . . ?
C56 C61 C62 118.8(8) . . ?
C62 C61 C60 117.9(8) . . ?
C61 C62 H62 119.3 . . ?
C63 C62 C61 121.4(7) . . ?
C63 C62 H62 119.3 . . ?
C62 C63 H63 120.7 . . ?
C64 C63 C62 118.7(7) . . ?
C64 C63 H63 120.7 . . ?
C63 C64 C55 122.5(7) . . ?
C63 C64 O12 118.6(7) . . ?
O12 C64 C55 118.9(7) . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
O13 C65 H65A 109.5 . . ?
O13 C65 H65B 109.5 . . ?
O13 C65 H65C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O14 C66 H66A 109.5 . . ?
O14 C66 H66B 109.5 . . ?
O14 C66 H66C 109.5 . . ?
N3 Dy1 Dy2 97.40(14) . . ?
N5 Dy1 Dy2 97.68(14) . . ?
N5 Dy1 N3 160.0(2) . . ?
O2 Dy1 Dy2 34.84(12) . . ?
O2 Dy1 N3 64.43(18) . . ?
O2 Dy1 N5 132.33(18) . . ?
O2 Dy1 O4 69.01(16) . . ?
O2 Dy1 O13 109.8(2) . . ?
O3 Dy1 Dy2 152.45(16) . . ?
O3 Dy1 N3 87.6(2) . . ?
O3 Dy1 N5 73.0(2) . . ?
O3 Dy1 O2 148.22(19) . . ?
O3 Dy1 O4 127.91(19) . . ?
O3 Dy1 O6 81.1(2) . . ?
O3 Dy1 O10 131.6(2) . . ?
O3 Dy1 O13 74.8(2) . . ?
O4 Dy1 Dy2 34.16(12) . . ?
O4 Dy1 N3 129.46(19) . . ?
O4 Dy1 N5 63.66(19) . . ?
O4 Dy1 O13 140.6(2) . . ?
O6 Dy1 Dy2 74.07(14) . . ?
O6 Dy1 N3 75.5(2) . . ?
O6 Dy1 N5 96.2(2) . . ?
O6 Dy1 O2 77.56(19) . . ?
O6 Dy1 O4 76.47(18) . . ?
O6 Dy1 O13 142.9(2) . . ?
O10 Dy1 Dy2 71.51(13) . . ?
O10 Dy1 N3 111.3(2) . . ?
O10 Dy1 N5 85.95(19) . . ?
O10 Dy1 O2 75.79(18) . . ?
O10 Dy1 O4 73.76(19) . . ?
O10 Dy1 O6 145.49(19) . . ?
O10 Dy1 O13 68.2(2) . . ?
O13 Dy1 Dy2 132.69(15) . . ?
O13 Dy1 N3 75.7(2) . . ?
O13 Dy1 N5 103.1(2) . . ?
N1 Dy2 Dy1 98.34(15) . . ?
N1 Dy2 N7 161.9(2) . . ?
N7 Dy2 Dy1 97.71(15) . . ?
O1 Dy2 Dy1 153.60(17) . . ?
O1 Dy2 N1 74.2(2) . . ?
O1 Dy2 N7 87.72(19) . . ?
O1 Dy2 O1W 75.9(2) . . ?
O1 Dy2 O2 128.42(19) . . ?
O1 Dy2 O4 148.24(19) . . ?
O1 Dy2 O5 129.3(2) . . ?
O1 Dy2 O9 80.7(2) . . ?
O1W Dy2 Dy1 130.53(16) . . ?
O1W Dy2 N1 100.4(2) . . ?
O1W Dy2 N7 75.1(2) . . ?
O2 Dy2 Dy1 34.77(12) . . ?
O2 Dy2 N1 63.92(19) . . ?
O2 Dy2 N7 130.75(19) . . ?
O2 Dy2 O1W 138.25(19) . . ?
O4 Dy2 Dy1 34.55(12) . . ?
O4 Dy2 N1 132.51(19) . . ?
O4 Dy2 N7 64.55(18) . . ?
O4 Dy2 O1W 109.0(2) . . ?
O4 Dy2 O2 69.33(16) . . ?
O4 Dy2 O9 78.30(19) . . ?
O5 Dy2 Dy1 72.87(13) . . ?
O5 Dy2 N1 82.2(2) . . ?
O5 Dy2 N7 110.6(2) . . ?
O5 Dy2 O1W 65.0(2) . . ?
O5 Dy2 O2 74.36(18) . . ?
O5 Dy2 O4 77.75(19) . . ?
O5 Dy2 O9 148.19(18) . . ?
O9 Dy2 Dy1 75.51(13) . . ?
O9 Dy2 N1 99.1(2) . . ?
O9 Dy2 N7 77.0(2) . . ?
O9 Dy2 O1W 143.9(2) . . ?
O9 Dy2 O2 77.79(18) . . ?
C7 N1 Dy2 129.3(5) . . ?
C7 N1 N2 112.7(6) . . ?
N2 N1 Dy2 117.9(4) . . ?
C8 N2 N1 109.3(6) . . ?
C9 N3 Dy1 117.7(5) . . ?
C12 N3 C9 116.1(7) . . ?
C12 N3 Dy1 126.1(5) . . ?
C10 N4 C11 115.3(7) . . ?
C19 N5 Dy1 129.8(5) . . ?
C19 N5 N6 112.0(6) . . ?
N6 N5 Dy1 118.1(4) . . ?
C20 N6 N5 109.9(6) . . ?
C21 N7 C24 116.8(7) . . ?
C21 N7 Dy2 117.1(5) . . ?
C24 N7 Dy2 126.1(5) . . ?
C23 N8 C22 115.4(7) . . ?
C1 O1 Dy2 139.6(5) . . ?
Dy2 O1W H1WA 109.4 . . ?
Dy2 O1W H1WB 108.9 . . ?
H1WA O1W H1WB 104.5 . . ?
C8 O2 Dy1 125.0(4) . . ?
C8 O2 Dy2 117.2(5) . . ?
Dy1 O2 Dy2 110.38(19) . . ?
C13 O3 Dy1 140.5(5) . . ?
C20 O4 Dy1 117.6(4) . . ?
C20 O4 Dy2 126.1(4) . . ?
Dy2 O4 Dy1 111.3(2) . . ?
P1 O5 Dy2 137.7(3) . . ?
P1 O6 Dy1 135.4(3) . . ?
C25 O7 P1 117.6(5) . . ?
C44 O8 P1 117.5(5) . . ?
P2 O9 Dy2 131.4(3) . . ?
P2 O10 Dy1 138.9(3) . . ?
C45 O11 P2 114.3(4) . . ?
C64 O12 P2 119.0(5) . . ?
C65 O13 Dy1 136.8(6) . . ?
C65 O13 H13 109.2 . . ?
Dy1 O13 H13 114.0 . . ?
C66 O14 H14A 109.4 . . ?
O5 P1 O6 119.2(3) . . ?
O5 P1 O7 104.7(3) . . ?
O5 P1 O8 111.2(3) . . ?
O6 P1 O7 112.2(3) . . ?
O6 P1 O8 105.3(3) . . ?
O8 P1 O7 103.3(3) . . ?
O9 P2 O11 106.5(3) . . ?
O9 P2 O12 111.2(3) . . ?
O10 P2 O9 119.2(3) . . ?
O10 P2 O11 111.5(3) . . ?
O10 P2 O12 104.8(3) . . ?
O11 P2 O12 102.5(3) . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
O15 C67 H67A 109.5 . . ?
O15 C67 H67B 109.5 . . ?
O15 C67 H67C 109.5 . . ?
C67 O15 H15A 109.3 . . ?
N9 C68 C69 179.6(18) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N10 C70 C71 172(2) . . ?
C70 C71 H71A 110.7 . . ?
C70 C71 H71B 105.6 . . ?
C70 C71 H71C 111.8 . . ?
H71A C71 H71B 109.7 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
H72A C72 H72B 110.7 . . ?
Cl1 C72 H72A 113.4 . . ?
Cl1 C72 H72B 113.4 . . ?
Cl2 C72 H72A 113.4 . . ?
Cl2 C72 H72B 113.4 . . ?
Cl2 C72 Cl1 91.2(15) . . ?
H2WA O2W H2WB 109.5 . . ?
H3WA O3W H3WB 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
C1 C2 1.400(11) . ?
C1 C6 1.424(10) . ?
C1 O1 1.319(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(12) . ?
C4 C5 1.356(11) . ?
C4 F1 1.380(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.411(10) . ?
C6 C7 1.434(11) . ?
C7 H7 0.9500 . ?
C7 N1 1.308(10) . ?
C8 C9 1.481(10) . ?
C8 N2 1.319(10) . ?
C8 O2 1.297(8) . ?
C9 C10 1.384(10) . ?
C9 N3 1.348(10) . ?
C10 H10 0.9500 . ?
C10 N4 1.329(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.377(12) . ?
C11 N4 1.342(12) . ?
C12 H12 0.9500 . ?
C12 N3 1.335(10) . ?
C13 C14 1.421(11) . ?
C13 C18 1.417(11) . ?
C13 O3 1.306(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.374(12) . ?
C15 H15 0.9500 . ?
C15 C16 1.382(13) . ?
C16 C17 1.365(13) . ?
C16 F2 1.362(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.401(11) . ?
C18 C19 1.447(11) . ?
C19 H19 0.9500 . ?
C19 N5 1.301(10) . ?
C20 C21 1.489(9) . ?
C20 N6 1.297(9) . ?
C20 O4 1.309(8) . ?
C21 C22 1.393(10) . ?
C21 N7 1.330(10) . ?
C22 H22 0.9500 . ?
C22 N8 1.341(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.385(12) . ?
C23 N8 1.333(12) . ?
C24 H24 0.9500 . ?
C24 N7 1.352(10) . ?
C25 C26 1.386(12) . ?
C25 C34 1.385(11) . ?
C25 O7 1.400(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(13) . ?
C27 H27 0.9500 . ?
C27 C28 1.392(14) . ?
C28 C29 1.510(13) . ?
C28 C33 1.403(13) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.488(12) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.472(13) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.491(11) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.498(14) . ?
C33 C34 1.406(12) . ?
C34 C35 1.503(11) . ?
C35 C36 1.411(11) . ?
C35 C44 1.401(11) . ?
C36 C37 1.506(11) . ?
C36 C41 1.402(11) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.510(13) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.502(13) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.503(13) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.520(11) . ?
C41 C42 1.395(11) . ?
C42 H42 0.9500 . ?
C42 C43 1.382(12) . ?
C43 H43 0.9500 . ?
C43 C44 1.367(11) . ?
C44 O8 1.410(9) . ?
C45 C46 1.381(11) . ?
C45 C54 1.389(10) . ?
C45 O11 1.407(9) . ?
C46 H46 0.9500 . ?
C46 C47 1.392(11) . ?
C47 H47 0.9500 . ?
C47 C48 1.396(11) . ?
C48 C49 1.511(11) . ?
C48 C53 1.401(10) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.518(13) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.518(14) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.529(12) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C53 1.506(11) . ?
C53 C54 1.426(10) . ?
C54 C55 1.478(11) . ?
C55 C56 1.424(11) . ?
C55 C64 1.405(11) . ?
C56 C57 1.524(11) . ?
C56 C61 1.390(11) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.514(12) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C59 1.512(15) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.525(14) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.511(12) . ?
C61 C62 1.409(12) . ?
C62 H62 0.9500 . ?
C62 C63 1.390(12) . ?
C63 H63 0.9500 . ?
C63 C64 1.382(11) . ?
C64 O12 1.401(9) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C65 O13 1.401(11) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C66 O14 1.398(12) . ?
Dy1 Dy2 3.9009(6) . ?
Dy1 N3 2.557(6) . ?
Dy1 N5 2.481(6) . ?
Dy1 O2 2.373(5) . ?
Dy1 O3 2.197(5) . ?
Dy1 O4 2.374(5) . ?
Dy1 O6 2.345(5) . ?
Dy1 O10 2.343(5) . ?
Dy1 O13 2.423(6) . ?
Dy2 N1 2.460(6) . ?
Dy2 N7 2.574(6) . ?
Dy2 O1 2.187(5) . ?
Dy2 O1W 2.406(6) . ?
Dy2 O2 2.378(5) . ?
Dy2 O4 2.351(5) . ?
Dy2 O5 2.346(5) . ?
Dy2 O9 2.362(5) . ?
N1 N2 1.416(9) . ?
N5 N6 1.410(9) . ?
O1W H1WA 0.8699 . ?
O1W H1WB 0.8656 . ?
O5 P1 1.487(6) . ?
O6 P1 1.494(6) . ?
O7 P1 1.598(5) . ?
O8 P1 1.597(5) . ?
O9 P2 1.491(5) . ?
O10 P2 1.489(6) . ?
O11 P2 1.604(5) . ?
O12 P2 1.615(5) . ?
O13 H13 0.8395 . ?
O14 H14A 0.8372 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C67 O15 1.392(11) . ?
O15 H15A 0.8360 . ?
C68 C69 1.43(2) . ?
C68 N9 1.12(2) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.49(2) . ?
C70 N10 1.092(18) . ?
C71 H71A 0.9770 . ?
C71 H71B 0.9799 . ?
C71 H71C 0.9804 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 Cl1 1.96(4) . ?
C72 Cl2 1.65(3) . ?
O2W H2WA 0.8698 . ?
O2W H2WB 0.8700 . ?
O3W H3WA 0.8700 . ?
O3W H3WB 0.8700 . ?
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
C1 C2 C3 C4 0.8(12) . . . . ?
C1 C6 C7 N1 7.5(12) . . . . ?
C2 C1 C6 C5 1.7(11) . . . . ?
C2 C1 C6 C7 179.9(7) . . . . ?
C2 C1 O1 Dy2 156.4(6) . . . . ?
C2 C3 C4 C5 0.2(12) . . . . ?
C2 C3 C4 F1 -177.8(7) . . . . ?
C3 C4 C5 C6 -0.2(12) . . . . ?
C4 C5 C6 C1 -0.8(11) . . . . ?
C4 C5 C6 C7 -179.1(7) . . . . ?
C5 C6 C7 N1 -174.3(7) . . . . ?
C6 C1 C2 C3 -1.7(12) . . . . ?
C6 C1 O1 Dy2 -23.6(12) . . . . ?
C6 C7 N1 Dy2 3.8(11) . . . . ?
C6 C7 N1 N2 -178.7(7) . . . . ?
C7 N1 N2 C8 164.0(7) . . . . ?
C8 C9 C10 N4 177.1(8) . . . . ?
C8 C9 N3 C12 -178.7(7) . . . . ?
C8 C9 N3 Dy1 3.4(9) . . . . ?
C9 C8 N2 N1 179.2(6) . . . . ?
C9 C8 O2 Dy1 -13.1(9) . . . . ?
C9 C8 O2 Dy2 -160.2(5) . . . . ?
C9 C10 N4 C11 1.7(12) . . . . ?
C10 C9 N3 C12 0.5(11) . . . . ?
C10 C9 N3 Dy1 -177.5(6) . . . . ?
C11 C12 N3 C9 1.0(12) . . . . ?
C11 C12 N3 Dy1 178.8(7) . . . . ?
C12 C11 N4 C10 -0.1(13) . . . . ?
C13 C14 C15 C16 1.0(13) . . . . ?
C13 C18 C19 N5 -8.7(12) . . . . ?
C14 C13 C18 C17 -1.3(11) . . . . ?
C14 C13 C18 C19 -179.1(7) . . . . ?
C14 C13 O3 Dy1 -154.8(6) . . . . ?
C14 C15 C16 C17 -0.4(14) . . . . ?
C14 C15 C16 F2 178.4(8) . . . . ?
C15 C16 C17 C18 -1.1(13) . . . . ?
C16 C17 C18 C13 1.9(12) . . . . ?
C16 C17 C18 C19 179.9(7) . . . . ?
C17 C18 C19 N5 173.4(7) . . . . ?
C18 C13 C14 C15 -0.2(12) . . . . ?
C18 C13 O3 Dy1 25.9(13) . . . . ?
C18 C19 N5 Dy1 -3.0(11) . . . . ?
C18 C19 N5 N6 178.2(7) . . . . ?
C19 N5 N6 C20 -166.4(6) . . . . ?
C20 C21 C22 N8 -177.8(7) . . . . ?
C20 C21 N7 C24 178.2(7) . . . . ?
C20 C21 N7 Dy2 -3.2(8) . . . . ?
C21 C20 N6 N5 -179.3(6) . . . . ?
C21 C20 O4 Dy1 162.5(5) . . . . ?
C21 C20 O4 Dy2 9.8(9) . . . . ?
C21 C22 N8 C23 0.7(12) . . . . ?
C22 C21 N7 C24 -1.2(11) . . . . ?
C22 C21 N7 Dy2 177.4(5) . . . . ?
C23 C24 N7 C21 -1.3(12) . . . . ?
C23 C24 N7 Dy2 -179.8(6) . . . . ?
C24 C23 N8 C22 -3.3(14) . . . . ?
C25 C26 C27 C28 -0.6(14) . . . . ?
C25 C34 C35 C36 122.9(9) . . . . ?
C25 C34 C35 C44 -55.8(11) . . . . ?
C25 O7 P1 O5 -161.3(5) . . . . ?
C25 O7 P1 O6 68.0(6) . . . . ?
C25 O7 P1 O8 -44.8(6) . . . . ?
C26 C25 C34 C33 6.7(13) . . . . ?
C26 C25 C34 C35 -175.9(8) . . . . ?
C26 C25 O7 P1 -107.6(8) . . . . ?
C26 C27 C28 C29 -177.6(10) . . . . ?
C26 C27 C28 C33 1.1(14) . . . . ?
C27 C28 C29 C30 -173.0(13) . . . . ?
C27 C28 C33 C32 -173.8(10) . . . . ?
C27 C28 C33 C34 2.2(14) . . . . ?
C28 C29 C30 C31 -31(2) . . . . ?
C28 C33 C34 C25 -5.9(13) . . . . ?
C28 C33 C34 C35 176.7(8) . . . . ?
C29 C28 C33 C32 4.8(15) . . . . ?
C29 C28 C33 C34 -179.2(9) . . . . ?
C29 C30 C31 C32 43(3) . . . . ?
C30 C31 C32 C33 -30(2) . . . . ?
C31 C32 C33 C28 5.7(18) . . . . ?
C31 C32 C33 C34 -170.3(13) . . . . ?
C32 C33 C34 C25 170.1(10) . . . . ?
C32 C33 C34 C35 -7.3(14) . . . . ?
C33 C28 C29 C30 8.4(18) . . . . ?
C33 C34 C35 C36 -59.8(12) . . . . ?
C33 C34 C35 C44 121.5(9) . . . . ?
C34 C25 C26 C27 -3.4(13) . . . . ?
C34 C25 O7 P1 73.6(8) . . . . ?
C34 C35 C36 C37 -10.0(12) . . . . ?
C34 C35 C36 C41 174.8(7) . . . . ?
C34 C35 C44 C43 -177.3(7) . . . . ?
C34 C35 C44 O8 3.2(11) . . . . ?
C35 C36 C37 C38 157.2(8) . . . . ?
C35 C36 C41 C40 -175.4(7) . . . . ?
C35 C36 C41 C42 4.6(11) . . . . ?
C35 C44 O8 P1 74.9(8) . . . . ?
C36 C35 C44 C43 3.9(12) . . . . ?
C36 C35 C44 O8 -175.5(6) . . . . ?
C36 C37 C38 C39 53.8(12) . . . . ?
C36 C41 C42 C43 0.1(12) . . . . ?
C37 C36 C41 C40 9.4(12) . . . . ?
C37 C36 C41 C42 -170.7(8) . . . . ?
C37 C38 C39 C40 -62.8(11) . . . . ?
C38 C39 C40 C41 44.1(11) . . . . ?
C39 C40 C41 C36 -17.7(11) . . . . ?
C39 C40 C41 C42 162.4(8) . . . . ?
C40 C41 C42 C43 -179.9(8) . . . . ?
C41 C36 C37 C38 -27.6(12) . . . . ?
C41 C42 C43 C44 -2.8(12) . . . . ?
C42 C43 C44 C35 0.7(12) . . . . ?
C42 C43 C44 O8 -179.8(7) . . . . ?
C43 C44 O8 P1 -104.6(7) . . . . ?
C44 C35 C36 C37 168.7(8) . . . . ?
C44 C35 C36 C41 -6.5(11) . . . . ?
C44 O8 P1 O5 63.4(6) . . . . ?
C44 O8 P1 O6 -166.3(5) . . . . ?
C44 O8 P1 O7 -48.4(6) . . . . ?
C45 C46 C47 C48 -2.0(11) . . . . ?
C45 C54 C55 C56 121.6(8) . . . . ?
C45 C54 C55 C64 -55.0(10) . . . . ?
C45 O11 P2 O9 -171.2(5) . . . . ?
C45 O11 P2 O10 57.2(6) . . . . ?
C45 O11 P2 O12 -54.3(5) . . . . ?
C46 C45 C54 C53 4.9(11) . . . . ?
C46 C45 C54 C55 179.2(7) . . . . ?
C46 C45 O11 P2 -97.7(7) . . . . ?
C46 C47 C48 C49 -173.5(7) . . . . ?
C46 C47 C48 C53 2.9(11) . . . . ?
C47 C48 C49 C50 -174.9(8) . . . . ?
C47 C48 C53 C52 -173.1(7) . . . . ?
C47 C48 C53 C54 0.1(11) . . . . ?
C48 C49 C50 C51 -42.3(11) . . . . ?
C48 C53 C54 C45 -3.8(10) . . . . ?
C48 C53 C54 C55 -177.8(7) . . . . ?
C49 C48 C53 C52 3.1(12) . . . . ?
C49 C48 C53 C54 176.2(7) . . . . ?
C49 C50 C51 C52 64.6(10) . . . . ?
C50 C51 C52 C53 -52.7(10) . . . . ?
C51 C52 C53 C48 19.2(11) . . . . ?
C51 C52 C53 C54 -153.9(7) . . . . ?
C52 C53 C54 C45 169.3(7) . . . . ?
C52 C53 C54 C55 -4.8(11) . . . . ?
C53 C48 C49 C50 8.9(12) . . . . ?
C53 C54 C55 C56 -64.4(11) . . . . ?
C53 C54 C55 C64 119.1(8) . . . . ?
C54 C45 C46 C47 -2.0(11) . . . . ?
C54 C45 O11 P2 79.2(7) . . . . ?
C54 C55 C56 C57 -5.1(12) . . . . ?
C54 C55 C56 C61 177.4(8) . . . . ?
C54 C55 C64 C63 -176.7(7) . . . . ?
C54 C55 C64 O12 1.4(10) . . . . ?
C55 C56 C57 C58 -162.8(8) . . . . ?
C55 C56 C61 C60 -179.4(8) . . . . ?
C55 C56 C61 C62 1.7(12) . . . . ?
C55 C64 O12 P2 71.9(8) . . . . ?
C56 C55 C64 C63 6.5(11) . . . . ?
C56 C55 C64 O12 -175.3(6) . . . . ?
C56 C57 C58 C59 -48.0(12) . . . . ?
C56 C61 C62 C63 2.6(13) . . . . ?
C57 C56 C61 C60 3.0(13) . . . . ?
C57 C56 C61 C62 -175.9(8) . . . . ?
C57 C58 C59 C60 63.9(12) . . . . ?
C58 C59 C60 C61 -45.8(13) . . . . ?
C59 C60 C61 C56 12.9(15) . . . . ?
C59 C60 C61 C62 -168.1(9) . . . . ?
C60 C61 C62 C63 -176.4(9) . . . . ?
C61 C56 C57 C58 14.8(13) . . . . ?
C61 C62 C63 C64 -2.2(13) . . . . ?
C62 C63 C64 C55 -2.5(12) . . . . ?
C62 C63 C64 O12 179.4(7) . . . . ?
C63 C64 O12 P2 -109.9(7) . . . . ?
C64 C55 C56 C57 171.5(8) . . . . ?
C64 C55 C56 C61 -6.0(12) . . . . ?
C64 O12 P2 O9 74.5(6) . . . . ?
C64 O12 P2 O10 -155.5(5) . . . . ?
C64 O12 P2 O11 -39.0(6) . . . . ?
Dy1 N5 N6 C20 14.6(7) . . . . ?
Dy1 O6 P1 O5 -11.3(6) . . . . ?
Dy1 O6 P1 O7 111.5(5) . . . . ?
Dy1 O6 P1 O8 -136.8(4) . . . . ?
Dy1 O10 P2 O9 -21.8(7) . . . . ?
Dy1 O10 P2 O11 102.9(5) . . . . ?
Dy1 O10 P2 O12 -146.9(5) . . . . ?
Dy2 N1 N2 C8 -18.1(8) . . . . ?
Dy2 O5 P1 O6 3.1(7) . . . . ?
Dy2 O5 P1 O7 -123.3(5) . . . . ?
Dy2 O5 P1 O8 125.8(5) . . . . ?
Dy2 O9 P2 O10 24.2(6) . . . . ?
Dy2 O9 P2 O11 -102.9(4) . . . . ?
Dy2 O9 P2 O12 146.2(4) . . . . ?
F1 C4 C5 C6 177.8(7) . . . . ?
F2 C16 C17 C18 -179.8(7) . . . . ?
N2 C8 C9 C10 6.3(12) . . . . ?
N2 C8 C9 N3 -174.6(7) . . . . ?
N2 C8 O2 Dy1 166.9(6) . . . . ?
N2 C8 O2 Dy2 19.8(10) . . . . ?
N3 C9 C10 N4 -2.0(13) . . . . ?
N4 C11 C12 N3 -1.3(15) . . . . ?
N6 C20 C21 C22 -2.2(11) . . . . ?
N6 C20 C21 N7 178.5(7) . . . . ?
N6 C20 O4 Dy1 -19.6(10) . . . . ?
N6 C20 O4 Dy2 -172.3(5) . . . . ?
N7 C21 C22 N8 1.6(12) . . . . ?
N8 C23 C24 N7 3.8(15) . . . . ?
O1 C1 C2 C3 178.2(7) . . . . ?
O1 C1 C6 C5 -178.2(7) . . . . ?
O1 C1 C6 C7 -0.1(12) . . . . ?
O2 C8 C9 C10 -173.7(7) . . . . ?
O2 C8 C9 N3 5.4(10) . . . . ?
O2 C8 N2 N1 -0.7(11) . . . . ?
O3 C13 C14 C15 -179.5(8) . . . . ?
O3 C13 C18 C17 178.0(7) . . . . ?
O3 C13 C18 C19 0.2(12) . . . . ?
O4 C20 C21 C22 175.9(7) . . . . ?
O4 C20 C21 N7 -3.5(10) . . . . ?
O4 C20 N6 N5 2.9(10) . . . . ?
O7 C25 C26 C27 177.8(8) . . . . ?
O7 C25 C34 C33 -174.5(7) . . . . ?
O7 C25 C34 C35 2.9(11) . . . . ?
O11 C45 C46 C47 174.8(6) . . . . ?
O11 C45 C54 C53 -171.9(6) . . . . ?
O11 C45 C54 C55 2.4(10) . . . . ?
