#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:16:03 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260746 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/56/7705641.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_7705641
loop_
_publ_author_name
'Kalita, Pankaj'
'Nayak, Prakash'
'Ahmed, Naushad'
'Herrera, Juan Manuel'
'Venkatasubbaiah, Krishnan'
'Colacio, Enrique'
'Chandrasekhar, Vadapalli'
_publ_section_title
;
 Seven-coordinate LnIII complexes assembled from a bulky 
 Mes acacH ligand: their synthesis, structure,
 photoluminescence and SMM behaviour.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15404
_journal_page_last               15416
_journal_paper_doi               10.1039/d0dt03054f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C66 H76 Dy0.091 N O7 Y0.909'
_chemical_formula_sum            'C66 H76 Dy0.09 N O7 Y0.91'
_chemical_formula_weight         1090.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-09-17
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.09.11 svn.r3730fd0d for OlexSys, GUI svn.r6159)
;
_audit_update_record
;
2020-09-20 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.867(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5954(4)
_cell_length_b                   23.3723(7)
_cell_length_c                   20.4784(6)
_cell_measurement_reflns_used    18204
_cell_measurement_temperature    120.02(10)
_cell_measurement_theta_max      28.7410
_cell_measurement_theta_min      3.0900
_cell_volume                     5939.3(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -41.00 -16.00   0.50    9.89    --    7.10 -37.00-166.00   50
  2  ω      6.00  31.00   0.50    9.89    --    7.10  37.00 -10.00   50
  3  ω    -55.00 -30.00   0.50    9.89    --   -7.50 -37.00-166.00   50
  4  ω     -8.00  17.00   0.50    9.89    --   -7.50  37.00 -10.00   50
  5  ω     50.00  93.00   0.50    9.89    --    7.10  77.00   0.00   86
  6  ω     19.00  92.00   0.50    9.89    --    7.10  57.00 -30.00  146
  7  ω     67.00  94.00   0.50    9.89    --    7.10  77.00 150.00   54
  8  ω     50.00  75.00   0.50    9.89    --    7.10  77.00-120.00   50
  9  ω     51.00  90.00   0.50    9.89    --    7.10  77.00-150.00   78
 10  ω     50.00  93.00   0.50    9.89    --    7.10  77.00  60.00   86
 11  ω    -49.00  -1.00   0.50    9.89    --   -7.50 -77.00 120.00   96
 12  ω    -37.00  36.00   0.50    9.89    --   -7.50  57.00  60.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0125534000
_diffrn_orient_matrix_UB_12      -0.0002841000
_diffrn_orient_matrix_UB_13      0.0351279000
_diffrn_orient_matrix_UB_21      0.0491443000
_diffrn_orient_matrix_UB_22      0.0144078000
_diffrn_orient_matrix_UB_23      -0.0013429000
_diffrn_orient_matrix_UB_31      -0.0263109000
_diffrn_orient_matrix_UB_32      0.0267078000
_diffrn_orient_matrix_UB_33      0.0011297000
_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  0.0895
_diffrn_reflns_av_unetI/netI     0.0993
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            72075
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.991
_diffrn_reflns_theta_min         2.529
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.29d (Rigaku Oxford Diffraction, 2017)
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    1.220
_exptl_crystal_description       block
_exptl_crystal_F_000             2306
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     697
_refine_ls_number_reflns         13977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0624
_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)+(0.0154P)²+10.7323P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1178
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9527
_reflns_number_total             13977
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03054f2.cif
_cod_data_source_block           aj0764
_cod_depositor_comments
'Adding full bibliography for 7705640--7705643.cif.'
_cod_database_code               7705641
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C10H20N1DyYO6
_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   0.902
_shelx_estimated_absorpt_t_min   0.778
_reflns_odcompleteness_completeness 99.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{Dy1, Y1}
3. Uiso/Uaniso restraints and constraints
Uanis(Dy1) = Uanis(Y1)
4. Others
 Sof(Y1)=1-FVAR(1)
 Sof(Dy1)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C8(H8), C10(H10), C15(H15), C17(H17), C21(H21), C23(H23),
 C27(H27), C29(H29), C33(H33), C35(H35), C39(H39), C41(H41), C45(H45), C47(H47)
5.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C49(H49A,H49B,H49C), C50(H50A,H50B,
 H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,
 H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C),
 C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C61(H61A,H61B,
 H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C65(H65A,
 H65B,H65C), C66(H66A,H66B,H66C)
;
_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 7.886
_oxdiff_exptl_absorpt_empirical_full_min 0.417
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.40976(2) 0.29327(2) 0.78770(2) 0.01678(9) Uani 0.091(2) 1 d . . P . .
Y1 Y 0.40976(2) 0.29327(2) 0.78770(2) 0.01678(9) Uani 0.909(2) 1 d . . P . .
O1 O 0.47392(18) 0.37339(9) 0.84272(10) 0.0260(5) Uani 1 1 d . . . . .
O2 O 0.50967(18) 0.33996(9) 0.71967(10) 0.0249(5) Uani 1 1 d . . . . .
O3 O 0.25282(17) 0.30870(9) 0.83101(10) 0.0226(5) Uani 1 1 d . . . . .
O4 O 0.28788(18) 0.32398(10) 0.70104(10) 0.0278(5) Uani 1 1 d . . . . .
O5 O 0.32397(17) 0.20501(9) 0.76604(11) 0.0269(5) Uani 1 1 d . . . . .
O6 O 0.54042(17) 0.23238(9) 0.76705(11) 0.0268(5) Uani 1 1 d . . . . .
O7 O 0.45433(18) 0.25393(9) 0.89374(11) 0.0280(5) Uani 1 1 d . . . . .
N1 N 0.4277(2) 0.20589(13) 0.98530(13) 0.0353(7) Uani 1 1 d . . . . .
C1 C 0.5363(3) 0.41491(14) 0.83361(15) 0.0244(7) Uani 1 1 d . . . . .
C2 C 0.5913(3) 0.41889(14) 0.78076(16) 0.0293(8) Uani 1 1 d . . . . .
H2 H 0.642493 0.447662 0.781572 0.035 Uiso 1 1 calc R U . . .
C3 C 0.5740(3) 0.38196(13) 0.72613(15) 0.0229(7) Uani 1 1 d . . . . .
C4 C 0.1877(3) 0.33593(13) 0.69087(15) 0.0235(7) Uani 1 1 d . . . . .
C5 C 0.1213(3) 0.33176(14) 0.73810(16) 0.0274(8) Uani 1 1 d . . . . .
H5 H 0.048830 0.340719 0.725212 0.033 Uiso 1 1 calc R U . . .
C6 C 0.1561(3) 0.31499(13) 0.80379(15) 0.0219(7) Uani 1 1 d . . . . .
C7 C 0.3553(3) 0.15597(14) 0.75125(16) 0.0268(7) Uani 1 1 d . . . . .
C8 C 0.4586(3) 0.14294(15) 0.73868(19) 0.0354(9) Uani 1 1 d . . . . .
H8 H 0.471391 0.105800 0.725686 0.043 Uiso 1 1 calc R U . . .
C9 C 0.5429(3) 0.18184(14) 0.74437(16) 0.0244(7) Uani 1 1 d . . . . .
C10 C 0.3997(3) 0.24241(14) 0.93693(16) 0.0301(8) Uani 1 1 d . . . . .
H10 H 0.333945 0.261072 0.934813 0.036 Uiso 1 1 calc R U . . .
C11 C 0.5284(4) 0.17356(18) 0.9895(2) 0.0532(12) Uani 1 1 d . . . . .
H11A H 0.512318 0.134611 0.976516 0.080 Uiso 1 1 calc R U . . .
H11B H 0.566776 0.174488 1.034217 0.080 Uiso 1 1 calc R U . . .
H11C H 0.571982 0.190399 0.960465 0.080 Uiso 1 1 calc R U . . .
C12 C 0.3586(4) 0.1918(2) 1.0330(2) 0.0592(13) Uani 1 1 d . . . . .
H12A H 0.297839 0.217230 1.027213 0.089 Uiso 1 1 calc R U . . .
H12B H 0.398455 0.195777 1.077106 0.089 Uiso 1 1 calc R U . . .
H12C H 0.333762 0.153065 1.026159 0.089 Uiso 1 1 calc R U . . .
C13 C 0.5470(3) 0.46373(13) 0.88219(15) 0.0246(7) Uani 1 1 d . . . . .
C14 C 0.6376(3) 0.47050(14) 0.93078(16) 0.0292(8) Uani 1 1 d . . . . .
C15 C 0.6443(3) 0.51837(15) 0.97180(17) 0.0352(9) Uani 1 1 d . . . . .
H15 H 0.704281 0.522747 1.004889 0.042 Uiso 1 1 calc R U . . .
C16 C 0.5644(3) 0.55955(14) 0.96474(17) 0.0342(9) Uani 1 1 d . . . . .
C17 C 0.4745(3) 0.55110(14) 0.91693(17) 0.0350(9) Uani 1 1 d . . . . .
H17 H 0.419785 0.578283 0.912053 0.042 Uiso 1 1 calc R U . . .
C18 C 0.4626(3) 0.50325(14) 0.87561(16) 0.0292(8) Uani 1 1 d . . . . .
C19 C 0.6346(3) 0.39248(13) 0.67034(15) 0.0228(7) Uani 1 1 d . . . . .
C20 C 0.5974(3) 0.43330(14) 0.62193(16) 0.0277(8) Uani 1 1 d . . . . .
C21 C 0.6536(3) 0.44079(15) 0.56973(16) 0.0314(8) Uani 1 1 d . . . . .
H21 H 0.629310 0.467834 0.537287 0.038 Uiso 1 1 calc R U . . .
C22 C 0.7445(3) 0.40921(15) 0.56472(16) 0.0312(8) Uani 1 1 d . . . . .
C23 C 0.7806(3) 0.36953(15) 0.61373(17) 0.0304(8) Uani 1 1 d . . . . .
H23 H 0.842061 0.348307 0.610892 0.036 Uiso 1 1 calc R U . . .
C24 C 0.7275(3) 0.36046(14) 0.66713(16) 0.0249(7) Uani 1 1 d . . . . .
C25 C 0.0687(3) 0.30233(14) 0.84373(15) 0.0253(7) Uani 1 1 d . . . . .
C26 C 0.0076(3) 0.25244(14) 0.82829(16) 0.0281(8) Uani 1 1 d . . . . .
C27 C -0.0792(3) 0.24228(16) 0.86069(18) 0.0351(9) Uani 1 1 d . . . . .
H27 H -0.120680 0.209617 0.850021 0.042 Uiso 1 1 calc R U . . .
C28 C -0.1056(3) 0.27913(16) 0.90812(19) 0.0401(10) Uani 1 1 d . . . . .
C29 C -0.0414(3) 0.32718(16) 0.92407(18) 0.0379(9) Uani 1 1 d . . . . .
H29 H -0.057299 0.351925 0.956642 0.045 Uiso 1 1 calc R U . . .
C30 C 0.0461(3) 0.33955(15) 0.89276(16) 0.0299(8) Uani 1 1 d . . . . .
C31 C 0.1416(3) 0.35510(14) 0.62153(15) 0.0249(7) Uani 1 1 d . . . . .
C32 C 0.0960(3) 0.31563(15) 0.57396(17) 0.0355(9) Uani 1 1 d . . . . .
C33 C 0.0625(3) 0.33437(17) 0.50901(17) 0.0393(9) Uani 1 1 d . . . . .
H33 H 0.033044 0.308013 0.476936 0.047 Uiso 1 1 calc R U . . .
C34 C 0.0716(3) 0.39069(17) 0.49087(16) 0.0337(8) Uani 1 1 d . . . . .
C35 C 0.1145(3) 0.42915(16) 0.53942(18) 0.0386(9) Uani 1 1 d . . . . .
H35 H 0.119899 0.467451 0.528144 0.046 Uiso 1 1 calc R U . . .
C36 C 0.1498(3) 0.41236(15) 0.60480(16) 0.0325(8) Uani 1 1 d . . . . .
C37 C 0.2773(3) 0.10650(13) 0.74624(17) 0.0255(7) Uani 1 1 d . . . . .
C38 C 0.2606(3) 0.07865(14) 0.80365(17) 0.0295(8) Uani 1 1 d . . . . .
C39 C 0.1952(3) 0.03024(15) 0.79784(18) 0.0337(8) Uani 1 1 d . . . . .
H39 H 0.183883 0.011452 0.836080 0.040 Uiso 1 1 calc R U . . .
C40 C 0.1468(3) 0.00931(14) 0.73691(19) 0.0328(8) Uani 1 1 d . . . . .
C41 C 0.1640(3) 0.03786(14) 0.68082(18) 0.0326(8) Uani 1 1 d . . . . .
H41 H 0.132119 0.023917 0.639572 0.039 Uiso 1 1 calc R U . . .
C42 C 0.2276(3) 0.08699(14) 0.68376(17) 0.0280(8) Uani 1 1 d . . . . .
C43 C 0.6447(3) 0.16398(13) 0.72116(16) 0.0247(7) Uani 1 1 d . . . . .
C44 C 0.7206(3) 0.12970(14) 0.76050(17) 0.0286(8) Uani 1 1 d . . . . .
C45 C 0.8117(3) 0.11260(15) 0.7354(2) 0.0367(9) Uani 1 1 d . . . . .
H45 H 0.862897 0.089815 0.761319 0.044 Uiso 1 1 calc R U . . .
C46 C 0.8278(3) 0.12876(16) 0.6725(2) 0.0385(9) Uani 1 1 d . . . . .
C47 C 0.7519(3) 0.16350(16) 0.63527(19) 0.0374(9) Uani 1 1 d . . . . .
H47 H 0.762547 0.175140 0.593451 0.045 Uiso 1 1 calc R U . . .
C48 C 0.6598(3) 0.18159(15) 0.65844(17) 0.0301(8) Uani 1 1 d . . . . .
C49 C 0.3622(3) 0.49503(18) 0.8249(2) 0.0472(10) Uani 1 1 d . . . . .
H49A H 0.381087 0.493088 0.781480 0.071 Uiso 1 1 calc R U . . .
H49B H 0.314206 0.526631 0.826893 0.071 Uiso 1 1 calc R U . . .
H49C H 0.327342 0.460108 0.833978 0.071 Uiso 1 1 calc R U . . .
C50 C 0.5758(4) 0.61306(16) 1.00675(19) 0.0486(11) Uani 1 1 d . . . . .
H50A H 0.610814 0.603810 1.050888 0.073 Uiso 1 1 calc R U . . .
H50B H 0.505738 0.628653 1.008155 0.073 Uiso 1 1 calc R U . . .
H50C H 0.618146 0.640708 0.987888 0.073 Uiso 1 1 calc R U . . .
C51 C 0.7266(3) 0.42677(17) 0.9406(2) 0.0459(10) Uani 1 1 d . . . . .
H51A H 0.698004 0.390329 0.950559 0.069 Uiso 1 1 calc R U . . .
H51B H 0.781482 0.438347 0.976623 0.069 Uiso 1 1 calc R U . . .
H51C H 0.756950 0.423734 0.900818 0.069 Uiso 1 1 calc R U . . .
C52 C 0.4973(3) 0.46799(18) 0.6251(2) 0.0484(11) Uani 1 1 d . . . . .
H52A H 0.439514 0.442823 0.631014 0.073 Uiso 1 1 calc R U . . .
H52B H 0.477575 0.489065 0.584597 0.073 Uiso 1 1 calc R U . . .
H52C H 0.511302 0.494165 0.661696 0.073 Uiso 1 1 calc R U . . .
C53 C 0.8031(4) 0.41717(18) 0.50698(19) 0.0487(11) Uani 1 1 d . . . . .
H53A H 0.872932 0.433327 0.522470 0.073 Uiso 1 1 calc R U . . .
H53B H 0.762503 0.442463 0.475140 0.073 Uiso 1 1 calc R U . . .
H53C H 0.811084 0.380797 0.486602 0.073 Uiso 1 1 calc R U . . .
C54 C 0.7702(3) 0.31797(16) 0.72043(18) 0.0359(9) Uani 1 1 d . . . . .
H54A H 0.802953 0.338027 0.759649 0.054 Uiso 1 1 calc R U . . .
H54B H 0.822889 0.293940 0.705336 0.054 Uiso 1 1 calc R U . . .
H54C H 0.711984 0.294828 0.730292 0.054 Uiso 1 1 calc R U . . .
C55 C 0.0805(5) 0.25370(18) 0.5920(2) 0.0696(16) Uani 1 1 d . . . . .
H55A H 0.141281 0.241267 0.623724 0.104 Uiso 1 1 calc R U . . .
H55B H 0.074391 0.230425 0.552922 0.104 Uiso 1 1 calc R U . . .
H55C H 0.016065 0.250161 0.610835 0.104 Uiso 1 1 calc R U . . .
C56 C 0.0337(3) 0.4100(2) 0.42029(18) 0.0492(11) Uani 1 1 d . . . . .
H56A H 0.036805 0.451014 0.418143 0.074 Uiso 1 1 calc R U . . .
H56B H -0.039177 0.397561 0.405811 0.074 Uiso 1 1 calc R U . . .
H56C H 0.079306 0.393796 0.392086 0.074 Uiso 1 1 calc R U . . .
C57 C 0.1965(4) 0.45590(17) 0.6565(2) 0.0550(12) Uani 1 1 d . . . . .
H57A H 0.147460 0.461620 0.687009 0.083 Uiso 1 1 calc R U . . .
H57B H 0.207395 0.491483 0.635191 0.083 Uiso 1 1 calc R U . . .
H57C H 0.264168 0.442221 0.680107 0.083 Uiso 1 1 calc R U . . .
C58 C 0.0338(3) 0.21027(15) 0.77788(18) 0.0366(8) Uani 1 1 d . . . . .
H58A H -0.002450 0.221264 0.734582 0.055 Uiso 1 1 calc R U . . .
H58B H 0.010270 0.172799 0.788281 0.055 Uiso 1 1 calc R U . . .
H58C H 0.110172 0.209835 0.778590 0.055 Uiso 1 1 calc R U . . .
C59 C -0.2013(4) 0.2666(2) 0.9417(3) 0.0648(14) Uani 1 1 d . . . . .
H59A H -0.265653 0.264779 0.908963 0.097 Uiso 1 1 calc R U . . .
H59B H -0.208440 0.296464 0.972878 0.097 Uiso 1 1 calc R U . . .
H59C H -0.190585 0.230666 0.964574 0.097 Uiso 1 1 calc R U . . .
C60 C 0.1139(3) 0.39189(17) 0.91164(19) 0.0433(10) Uani 1 1 d . . . . .
H60A H 0.176940 0.381498 0.942695 0.065 Uiso 1 1 calc R U . . .
H60B H 0.072869 0.419522 0.931534 0.065 Uiso 1 1 calc R U . . .
H60C H 0.135038 0.408073 0.872738 0.065 Uiso 1 1 calc R U . . .
C61 C 0.5777(3) 0.21867(18) 0.61620(18) 0.0444(10) Uani 1 1 d . . . . .
H61A H 0.507812 0.201288 0.612384 0.067 Uiso 1 1 calc R U . . .
H61B H 0.596421 0.222678 0.572925 0.067 Uiso 1 1 calc R U . . .
H61C H 0.576339 0.255701 0.636319 0.067 Uiso 1 1 calc R U . . .
C62 C 0.9256(3) 0.10800(19) 0.6456(3) 0.0603(13) Uani 1 1 d . . . . .
H62A H 0.914779 0.068980 0.631392 0.090 Uiso 1 1 calc R U . . .
H62B H 0.988090 0.110443 0.679707 0.090 Uiso 1 1 calc R U . . .
H62C H 0.935970 0.131396 0.608709 0.090 Uiso 1 1 calc R U . . .
C63 C 0.7045(3) 0.11109(17) 0.82844(19) 0.0439(10) Uani 1 1 d . . . . .
H63A H 0.680326 0.143035 0.851444 0.066 Uiso 1 1 calc R U . . .
H63B H 0.771448 0.097144 0.852789 0.066 Uiso 1 1 calc R U . . .
H63C H 0.651508 0.081199 0.824435 0.066 Uiso 1 1 calc R U . . .
C64 C 0.3128(3) 0.10028(17) 0.87095(19) 0.0469(10) Uani 1 1 d . . . . .
H64A H 0.387924 0.107296 0.870988 0.070 Uiso 1 1 calc R U . . .
H64B H 0.305244 0.072127 0.903977 0.070 Uiso 1 1 calc R U . . .
H64C H 0.278510 0.135184 0.880703 0.070 Uiso 1 1 calc R U . . .
C65 C 0.0746(3) -0.04294(16) 0.7320(2) 0.0512(11) Uani 1 1 d . . . . .
H65A H 0.000765 -0.031331 0.719801 0.077 Uiso 1 1 calc R U . . .
H65B H 0.084295 -0.062087 0.774060 0.077 Uiso 1 1 calc R U . . .
H65C H 0.093048 -0.068495 0.698965 0.077 Uiso 1 1 calc R U . . .
C66 C 0.2411(3) 0.11809(17) 0.62147(18) 0.0439(10) Uani 1 1 d . . . . .
H66A H 0.238214 0.158597 0.628697 0.066 Uiso 1 1 calc R U . . .
H66B H 0.184258 0.107251 0.586172 0.066 Uiso 1 1 calc R U . . .
H66C H 0.309409 0.108273 0.609741 0.066 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'
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'
Y Y -2.7962 3.5667 '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
O1 Dy1 O2 73.96(7) . . ?
O1 Dy1 O3 86.34(8) . . ?
O1 Dy1 O5 160.02(7) . . ?
O1 Dy1 O6 113.79(8) . . ?
O1 Dy1 O7 81.63(8) . . ?
O2 Dy1 O3 138.03(7) . . ?
O2 Dy1 O5 125.87(7) . . ?
O2 Dy1 O7 132.75(8) . . ?
O3 Dy1 O5 79.27(7) . . ?
O3 Dy1 O7 77.96(7) . . ?
O4 Dy1 O1 105.38(8) . . ?
O4 Dy1 O2 75.07(8) . . ?
O4 Dy1 O3 75.09(7) . . ?
O4 Dy1 O5 84.34(8) . . ?
O4 Dy1 O6 118.07(8) . . ?
O4 Dy1 O7 151.55(8) . . ?
O5 Dy1 O7 81.87(8) . . ?
O6 Dy1 O2 72.30(8) . . ?
O6 Dy1 O3 149.07(8) . . ?
O6 Dy1 O5 74.78(7) . . ?
O6 Dy1 O7 81.95(8) . . ?
C1 O1 Dy1 136.84(19) . . ?
C3 O2 Dy1 135.24(19) . . ?
C6 O3 Dy1 132.05(19) . . ?
C4 O4 Dy1 136.0(2) . . ?
C7 O5 Dy1 133.8(2) . . ?
C9 O6 Dy1 135.6(2) . . ?
C10 O7 Dy1 132.4(2) . . ?
C10 N1 C11 119.9(3) . . ?
C10 N1 C12 122.8(3) . . ?
C12 N1 C11 117.1(3) . . ?
O1 C1 C2 124.5(3) . . ?
O1 C1 C13 117.7(3) . . ?
C2 C1 C13 117.8(3) . . ?
C1 C2 H2 118.2 . . ?
C1 C2 C3 123.6(3) . . ?
C3 C2 H2 118.2 . . ?
O2 C3 C2 124.8(3) . . ?
O2 C3 C19 116.6(3) . . ?
C2 C3 C19 118.5(3) . . ?
O4 C4 C5 124.7(3) . . ?
O4 C4 C31 115.5(3) . . ?
C5 C4 C31 119.8(3) . . ?
C4 C5 H5 117.8 . . ?
C4 C5 C6 124.4(3) . . ?
C6 C5 H5 117.8 . . ?
O3 C6 C5 125.4(3) . . ?
O3 C6 C25 118.6(3) . . ?
C5 C6 C25 116.1(3) . . ?
O5 C7 C8 125.3(3) . . ?
O5 C7 C37 118.9(3) . . ?
C8 C7 C37 115.8(3) . . ?
C7 C8 H8 117.9 . . ?
C9 C8 C7 124.3(3) . . ?
C9 C8 H8 117.9 . . ?
O6 C9 C8 124.9(3) . . ?
O6 C9 C43 116.8(3) . . ?
C8 C9 C43 118.3(3) . . ?
O7 C10 N1 124.8(3) . . ?
O7 C10 H10 117.6 . . ?
N1 C10 H10 117.6 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C1 122.0(3) . . ?
C14 C13 C18 120.8(3) . . ?
C18 C13 C1 117.2(3) . . ?
C13 C14 C15 118.8(3) . . ?
C13 C14 C51 121.3(3) . . ?
C15 C14 C51 119.9(3) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 C14 121.9(4) . . ?
C16 C15 H15 119.1 . . ?
C15 C16 C50 121.4(4) . . ?
C17 C16 C15 118.0(3) . . ?
C17 C16 C50 120.6(4) . . ?
C16 C17 H17 118.8 . . ?
C16 C17 C18 122.4(3) . . ?
C18 C17 H17 118.8 . . ?
C13 C18 C49 121.2(3) . . ?
C17 C18 C13 118.1(3) . . ?
C17 C18 C49 120.8(3) . . ?
C20 C19 C3 120.0(3) . . ?
C20 C19 C24 120.9(3) . . ?
C24 C19 C3 119.1(3) . . ?
C19 C20 C52 121.2(3) . . ?
C21 C20 C19 118.5(3) . . ?
C21 C20 C52 120.3(3) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 C20 121.9(3) . . ?
C22 C21 H21 119.1 . . ?
C21 C22 C23 118.5(3) . . ?
C21 C22 C53 121.0(3) . . ?
C23 C22 C53 120.5(3) . . ?
C22 C23 H23 119.0 . . ?
C22 C23 C24 122.0(3) . . ?
C24 C23 H23 119.0 . . ?
C19 C24 C54 121.1(3) . . ?
C23 C24 C19 118.2(3) . . ?
C23 C24 C54 120.7(3) . . ?
C26 C25 C6 117.6(3) . . ?
C30 C25 C6 121.7(3) . . ?
C30 C25 C26 120.6(3) . . ?
C25 C26 C58 121.6(3) . . ?
C27 C26 C25 118.6(3) . . ?
C27 C26 C58 119.8(3) . . ?
C26 C27 H27 118.9 . . ?
C28 C27 C26 122.1(4) . . ?
C28 C27 H27 118.9 . . ?
C27 C28 C29 118.0(3) . . ?
C27 C28 C59 120.3(4) . . ?
C29 C28 C59 121.7(4) . . ?
C28 C29 H29 118.9 . . ?
C28 C29 C30 122.1(3) . . ?
C30 C29 H29 118.9 . . ?
C25 C30 C29 118.4(3) . . ?
C25 C30 C60 121.0(3) . . ?
C29 C30 C60 120.5(3) . . ?
C32 C31 C4 120.6(3) . . ?
C36 C31 C4 119.1(3) . . ?
C36 C31 C32 120.3(3) . . ?
C31 C32 C33 118.7(3) . . ?
C31 C32 C55 121.2(3) . . ?
C33 C32 C55 120.1(3) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 C32 122.1(3) . . ?
C34 C33 H33 119.0 . . ?
C33 C34 C35 117.9(3) . . ?
C33 C34 C56 121.1(3) . . ?
C35 C34 C56 121.0(4) . . ?
C34 C35 H35 119.0 . . ?
C34 C35 C36 122.0(3) . . ?
C36 C35 H35 119.0 . . ?
C31 C36 C35 118.9(3) . . ?
C31 C36 C57 120.8(3) . . ?
C35 C36 C57 120.3(3) . . ?
C38 C37 C7 119.5(3) . . ?
C38 C37 C42 120.7(3) . . ?
C42 C37 C7 119.7(3) . . ?
C37 C38 C39 118.8(3) . . ?
C37 C38 C64 120.6(3) . . ?
C39 C38 C64 120.6(3) . . ?
C38 C39 H39 119.1 . . ?
C40 C39 C38 121.9(3) . . ?
C40 C39 H39 119.1 . . ?
C39 C40 C65 120.8(4) . . ?
C41 C40 C39 118.3(3) . . ?
C41 C40 C65 120.9(3) . . ?
C40 C41 H41 118.9 . . ?
C40 C41 C42 122.3(3) . . ?
C42 C41 H41 118.9 . . ?
C37 C42 C66 121.3(3) . . ?
C41 C42 C37 118.1(3) . . ?
C41 C42 C66 120.6(3) . . ?
C44 C43 C9 121.0(3) . . ?
C48 C43 C9 118.0(3) . . ?
C48 C43 C44 121.0(3) . . ?
C43 C44 C45 118.5(3) . . ?
C43 C44 C63 120.9(3) . . ?
C45 C44 C63 120.5(3) . . ?
C44 C45 H45 119.2 . . ?
C46 C45 C44 121.6(3) . . ?
C46 C45 H45 119.2 . . ?
C45 C46 C62 120.5(4) . . ?
C47 C46 C45 118.3(3) . . ?
C47 C46 C62 121.2(4) . . ?
C46 C47 H47 119.0 . . ?
C46 C47 C48 121.9(4) . . ?
C48 C47 H47 119.0 . . ?
C43 C48 C61 120.8(3) . . ?
C47 C48 C43 118.5(3) . . ?
C47 C48 C61 120.7(3) . . ?
C18 C49 H49A 109.5 . . ?
C18 C49 H49B 109.5 . . ?
C18 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C16 C50 H50A 109.5 . . ?
C16 C50 H50B 109.5 . . ?
C16 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C14 C51 H51A 109.5 . . ?
C14 C51 H51B 109.5 . . ?
C14 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C20 C52 H52A 109.5 . . ?
C20 C52 H52B 109.5 . . ?
C20 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C22 C53 H53A 109.5 . . ?
C22 C53 H53B 109.5 . . ?
C22 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C24 C54 H54A 109.5 . . ?
C24 C54 H54B 109.5 . . ?
C24 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C32 C55 H55A 109.5 . . ?
C32 C55 H55B 109.5 . . ?
C32 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C34 C56 H56A 109.5 . . ?
C34 C56 H56B 109.5 . . ?
C34 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C36 C57 H57A 109.5 . . ?
C36 C57 H57B 109.5 . . ?
C36 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C26 C58 H58A 109.5 . . ?
C26 C58 H58B 109.5 . . ?
C26 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C28 C59 H59A 109.5 . . ?
C28 C59 H59B 109.5 . . ?
C28 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C30 C60 H60A 109.5 . . ?
C30 C60 H60B 109.5 . . ?
C30 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C48 C61 H61A 109.5 . . ?
C48 C61 H61B 109.5 . . ?
C48 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C46 C62 H62A 109.5 . . ?
C46 C62 H62B 109.5 . . ?
C46 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C44 C63 H63A 109.5 . . ?
C44 C63 H63B 109.5 . . ?
C44 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C38 C64 H64A 109.5 . . ?
C38 C64 H64B 109.5 . . ?
C38 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C40 C65 H65A 109.5 . . ?
C40 C65 H65B 109.5 . . ?
C40 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C42 C66 H66A 109.5 . . ?
C42 C66 H66B 109.5 . . ?
C42 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 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 O1 2.262(2) . ?
Dy1 O2 2.306(2) . ?
Dy1 O3 2.329(2) . ?
Dy1 O4 2.255(2) . ?
Dy1 O5 2.336(2) . ?
Dy1 O6 2.270(2) . ?
Dy1 O7 2.336(2) . ?
O1 C1 1.282(4) . ?
O2 C3 1.265(4) . ?
O3 C6 1.258(4) . ?
O4 C4 1.274(4) . ?
O5 C7 1.266(4) . ?
O6 C9 1.272(4) . ?
O7 C10 1.240(4) . ?
N1 C10 1.309(4) . ?
N1 C11 1.466(5) . ?
N1 C12 1.453(5) . ?
C1 C2 1.384(4) . ?
C1 C13 1.505(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.400(4) . ?
C3 C19 1.500(4) . ?
C4 C5 1.386(4) . ?
C4 C31 1.507(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.398(4) . ?
C6 C25 1.509(4) . ?
C7 C8 1.402(5) . ?
C7 C37 1.510(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.388(5) . ?
C9 C43 1.501(4) . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.388(5) . ?
C13 C18 1.397(5) . ?
C14 C15 1.393(5) . ?
C14 C51 1.505(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.382(5) . ?
C16 C17 1.379(5) . ?
C16 C50 1.511(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.395(5) . ?
C18 C49 1.505(5) . ?
C19 C20 1.398(5) . ?
C19 C24 1.400(4) . ?
C20 C21 1.391(5) . ?
C20 C52 1.509(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.380(5) . ?
C22 C23 1.385(5) . ?
C22 C53 1.509(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.392(5) . ?
C24 C54 1.505(5) . ?
C25 C26 1.403(5) . ?
C25 C30 1.394(5) . ?
C26 C27 1.393(5) . ?
C26 C58 1.504(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.381(5) . ?
C28 C29 1.389(6) . ?
C28 C59 1.516(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.397(5) . ?
C30 C60 1.504(5) . ?
C31 C32 1.392(5) . ?
C31 C36 1.390(5) . ?
C32 C33 1.395(5) . ?
C32 C55 1.515(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.378(5) . ?
C34 C35 1.380(5) . ?
C34 C56 1.512(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.393(5) . ?
C36 C57 1.513(5) . ?
C37 C38 1.391(5) . ?
C37 C42 1.401(5) . ?
C38 C39 1.392(5) . ?
C38 C64 1.509(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.381(5) . ?
C40 C41 1.377(5) . ?
C40 C65 1.516(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.395(5) . ?
C42 C66 1.503(5) . ?
C43 C44 1.393(5) . ?
C43 C48 1.392(5) . ?
C44 C45 1.394(5) . ?
C44 C63 1.504(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.389(5) . ?
C46 C47 1.381(5) . ?
C46 C62 1.513(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.392(5) . ?
C48 C61 1.504(5) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 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 O1 C1 C2 -3.9(5) . . . . ?
Dy1 O1 C1 C13 173.5(2) . . . . ?
Dy1 O2 C3 C2 -9.5(5) . . . . ?
Dy1 O2 C3 C19 171.0(2) . . . . ?
Dy1 O3 C6 C5 -21.2(5) . . . . ?
Dy1 O3 C6 C25 157.3(2) . . . . ?
Dy1 O4 C4 C5 -0.4(5) . . . . ?
Dy1 O4 C4 C31 -179.6(2) . . . . ?
Dy1 O5 C7 C8 -5.2(5) . . . . ?
Dy1 O5 C7 C37 174.9(2) . . . . ?
Dy1 O6 C9 C8 -15.8(5) . . . . ?
Dy1 O6 C9 C43 163.1(2) . . . . ?
Dy1 O7 C10 N1 158.9(2) . . . . ?
O1 C1 C2 C3 9.0(6) . . . . ?
O1 C1 C13 C14 104.2(4) . . . . ?
O1 C1 C13 C18 -77.2(4) . . . . ?
O2 C3 C19 C20 97.5(4) . . . . ?
O2 C3 C19 C24 -81.7(4) . . . . ?
O3 C6 C25 C26 -107.4(3) . . . . ?
O3 C6 C25 C30 74.8(4) . . . . ?
O4 C4 C5 C6 1.4(5) . . . . ?
O4 C4 C31 C32 92.1(4) . . . . ?
O4 C4 C31 C36 -84.8(4) . . . . ?
O5 C7 C8 C9 3.7(6) . . . . ?
O5 C7 C37 C38 -81.3(4) . . . . ?
O5 C7 C37 C42 102.5(4) . . . . ?
O6 C9 C43 C44 101.2(4) . . . . ?
O6 C9 C43 C48 -80.3(4) . . . . ?
C1 C2 C3 O2 -2.5(5) . . . . ?
C1 C2 C3 C19 177.0(3) . . . . ?
C1 C13 C14 C15 176.7(3) . . . . ?
C1 C13 C14 C51 -4.6(5) . . . . ?
C1 C13 C18 C17 -175.3(3) . . . . ?
C1 C13 C18 C49 3.9(5) . . . . ?
C2 C1 C13 C14 -78.2(4) . . . . ?
C2 C1 C13 C18 100.3(4) . . . . ?
C2 C3 C19 C20 -82.0(4) . . . . ?
C2 C3 C19 C24 98.8(4) . . . . ?
C3 C19 C20 C21 -178.0(3) . . . . ?
C3 C19 C20 C52 0.9(5) . . . . ?
C3 C19 C24 C23 177.9(3) . . . . ?
C3 C19 C24 C54 -3.1(5) . . . . ?
C4 C5 C6 O3 9.7(5) . . . . ?
C4 C5 C6 C25 -168.8(3) . . . . ?
C4 C31 C32 C33 -174.7(3) . . . . ?
C4 C31 C32 C55 6.5(6) . . . . ?
C4 C31 C36 C35 175.2(3) . . . . ?
C4 C31 C36 C57 -4.7(5) . . . . ?
C5 C4 C31 C32 -87.1(4) . . . . ?
C5 C4 C31 C36 95.9(4) . . . . ?
C5 C6 C25 C26 71.2(4) . . . . ?
C5 C6 C25 C30 -106.6(4) . . . . ?
C6 C25 C26 C27 -174.8(3) . . . . ?
C6 C25 C26 C58 5.1(5) . . . . ?
C6 C25 C30 C29 175.1(3) . . . . ?
C6 C25 C30 C60 -4.8(5) . . . . ?
C7 C8 C9 O6 6.5(6) . . . . ?
C7 C8 C9 C43 -172.4(3) . . . . ?
C7 C37 C38 C39 -174.8(3) . . . . ?
C7 C37 C38 C64 4.8(5) . . . . ?
C7 C37 C42 C41 174.0(3) . . . . ?
C7 C37 C42 C66 -6.5(5) . . . . ?
C8 C7 C37 C38 98.7(4) . . . . ?
C8 C7 C37 C42 -77.4(4) . . . . ?
C8 C9 C43 C44 -79.8(4) . . . . ?
C8 C9 C43 C48 98.7(4) . . . . ?
C9 C43 C44 C45 177.6(3) . . . . ?
C9 C43 C44 C63 -2.0(5) . . . . ?
C9 C43 C48 C47 -177.6(3) . . . . ?
C9 C43 C48 C61 1.6(5) . . . . ?
C11 N1 C10 O7 -2.5(5) . . . . ?
C12 N1 C10 O7 -177.0(3) . . . . ?
C13 C1 C2 C3 -168.4(3) . . . . ?
C13 C14 C15 C16 -1.0(5) . . . . ?
C14 C13 C18 C17 3.3(5) . . . . ?
C14 C13 C18 C49 -177.5(3) . . . . ?
C14 C15 C16 C17 2.3(5) . . . . ?
C14 C15 C16 C50 -176.2(3) . . . . ?
C15 C16 C17 C18 -0.8(5) . . . . ?
C16 C17 C18 C13 -2.0(5) . . . . ?
C16 C17 C18 C49 178.8(3) . . . . ?
C18 C13 C14 C15 -1.8(5) . . . . ?
C18 C13 C14 C51 177.0(3) . . . . ?
C19 C20 C21 C22 -0.1(5) . . . . ?
C20 C19 C24 C23 -1.3(5) . . . . ?
C20 C19 C24 C54 177.8(3) . . . . ?
C20 C21 C22 C23 -0.7(5) . . . . ?
C20 C21 C22 C53 178.8(3) . . . . ?
C21 C22 C23 C24 0.5(5) . . . . ?
C22 C23 C24 C19 0.5(5) . . . . ?
C22 C23 C24 C54 -178.6(3) . . . . ?
C24 C19 C20 C21 1.1(5) . . . . ?
C24 C19 C20 C52 -180.0(3) . . . . ?
C25 C26 C27 C28 -1.2(5) . . . . ?
C26 C25 C30 C29 -2.7(5) . . . . ?
C26 C25 C30 C60 177.5(3) . . . . ?
C26 C27 C28 C29 -1.0(6) . . . . ?
C26 C27 C28 C59 179.5(4) . . . . ?
C27 C28 C29 C30 1.4(6) . . . . ?
C28 C29 C30 C25 0.4(5) . . . . ?
C28 C29 C30 C60 -179.7(3) . . . . ?
C30 C25 C26 C27 3.0(5) . . . . ?
C30 C25 C26 C58 -177.1(3) . . . . ?
C31 C4 C5 C6 -179.4(3) . . . . ?
C31 C32 C33 C34 -1.0(6) . . . . ?
C32 C31 C36 C35 -1.7(5) . . . . ?
C32 C31 C36 C57 178.3(4) . . . . ?
C32 C33 C34 C35 -0.7(6) . . . . ?
C32 C33 C34 C56 -179.4(4) . . . . ?
C33 C34 C35 C36 1.2(6) . . . . ?
C34 C35 C36 C31 0.0(6) . . . . ?
C34 C35 C36 C57 179.9(4) . . . . ?
C36 C31 C32 C33 2.3(5) . . . . ?
C36 C31 C32 C55 -176.5(4) . . . . ?
C37 C7 C8 C9 -176.3(3) . . . . ?
C37 C38 C39 C40 -0.1(5) . . . . ?
C38 C37 C42 C41 -2.1(5) . . . . ?
C38 C37 C42 C66 177.3(3) . . . . ?
C38 C39 C40 C41 -0.4(5) . . . . ?
C38 C39 C40 C65 -179.0(3) . . . . ?
C39 C40 C41 C42 -0.4(5) . . . . ?
C40 C41 C42 C37 1.7(5) . . . . ?
C40 C41 C42 C66 -177.8(3) . . . . ?
C42 C37 C38 C39 1.3(5) . . . . ?
C42 C37 C38 C64 -179.0(3) . . . . ?
C43 C44 C45 C46 -0.2(5) . . . . ?
C44 C43 C48 C47 0.9(5) . . . . ?
C44 C43 C48 C61 -179.9(3) . . . . ?
C44 C45 C46 C47 1.2(5) . . . . ?
C44 C45 C46 C62 -178.0(3) . . . . ?
C45 C46 C47 C48 -1.2(5) . . . . ?
C46 C47 C48 C43 0.1(5) . . . . ?
C46 C47 C48 C61 -179.0(3) . . . . ?
C48 C43 C44 C45 -0.9(5) . . . . ?
C48 C43 C44 C63 179.5(3) . . . . ?
C50 C16 C17 C18 177.8(3) . . . . ?
C51 C14 C15 C16 -179.8(3) . . . . ?
C52 C20 C21 C22 -179.0(3) . . . . ?
C53 C22 C23 C24 -179.0(3) . . . . ?
C55 C32 C33 C34 177.7(4) . . . . ?
C56 C34 C35 C36 179.9(4) . . . . ?
C58 C26 C27 C28 178.9(3) . . . . ?
C59 C28 C29 C30 -179.1(4) . . . . ?
C62 C46 C47 C48 178.0(3) . . . . ?
C63 C44 C45 C46 179.4(3) . . . . ?
C64 C38 C39 C40 -179.7(3) . . . . ?
C65 C40 C41 C42 178.2(3) . . . . ?
