#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:33:08 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272656 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/90/7709053.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_7709053
loop_
_publ_author_name
'Li, Yun-Lan'
'Wang, Hai-Ling'
'Zhu, Zhong-Hong'
'Li, Juan'
'Zou, Hua-Hong'
'Peng, Jin-Mei'
'Liang, Fu-Pei'
_publ_section_title
;
 Truncation reaction regulates the out-to-in growth mechanism to decrypt
 the formation of brucite-like dysprosium clusters.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              197
_journal_page_last               202
_journal_paper_doi               10.1039/d1dt03137f
_journal_volume                  51
_journal_year                    2021
_chemical_formula_moiety
'2(C82 H116 Cl4 Dy6 N16 O22), 2(C H4 O), 4(C2 H3 N), 7(H2 O), 4(Cl)'
_chemical_formula_sum            'C174 H266 Cl12 Dy12 N36 O53'
_chemical_formula_weight         6085.61
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-05-11
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-06-21 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.181(2)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   15.4667(3)
_cell_length_b                   26.7576(4)
_cell_length_c                   16.1721(4)
_cell_measurement_reflns_used    31294
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.5580
_cell_measurement_theta_min      2.3350
_cell_volume                     6152.5(2)
_computing_cell_refinement       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.812
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00   4.00   0.50    6.00    --   10.14 -19.00 -60.00   70
  2  ω     -9.00  19.00   0.50    6.00    --   -9.28 -99.00 -90.00   56
  3  ω     12.00  60.00   0.50    6.00    --   10.14-117.00-147.00   96
  4  ω     35.00  60.00   0.50    6.00    --   10.14-161.00  61.00   50
  5  ω    -22.00  30.00   0.50    6.00    --   10.14 -99.00  60.00  104
  6  ω    -20.00  30.00   0.50    6.00    --   -9.28 -99.00  90.00  100
  7  ω    -70.00   3.00   0.50    6.00    --   10.14 -19.00 -90.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0003307000
_diffrn_orient_matrix_UB_12      -0.0062237000
_diffrn_orient_matrix_UB_13      0.0427915000
_diffrn_orient_matrix_UB_21      -0.0077368000
_diffrn_orient_matrix_UB_22      -0.0254532000
_diffrn_orient_matrix_UB_23      -0.0130672000
_diffrn_orient_matrix_UB_31      0.0492517000
_diffrn_orient_matrix_UB_32      -0.0039655000
_diffrn_orient_matrix_UB_33      0.0166858000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.812
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53113
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.812
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.648
_diffrn_reflns_theta_min         2.090
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.796
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_description       block
_exptl_crystal_F_000             2982
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.681
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         15438
_refine_ls_number_restraints     1588
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0728P)²+11.5859P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1233
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12744
_reflns_number_total             15438
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03137f2.cif
_cod_data_source_block           20201011-lfp-lj-4021
_cod_depositor_comments
'Adding full bibliography for 7709053--7709055.cif.'
_cod_database_code               7709053
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_diffrn_oxdiff_digest_frames
;
01c09b0d4222403f8d46308d46235051b9000254f97
;
_diffrn_oxdiff_digest_hkl
;
01182b74182b9b4d999c1b310e67f80af992ae
;
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H3 of O3, H2 of O2, All C(H,H) groups, All C(H,H,H,H)
  groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H8 of O8, H11 of O11, H12 of O12, All O(H,H) groups
2. Restrained distances
 O12-C46
 1.45 with sigma of 0.01
 O8-H8
 0.85 with sigma of 0.01
 O11-H11
 0.85 with sigma of 0.01
 C47-C38 = C41-C38
 1.46 with sigma of 0.01
 N10-C1AA = N9-C42
 1.15 with sigma of 0.01
 C45-C1AA = C43-C42
 1.46 with sigma of 0.01
 C33-H11
 1.971364 with sigma of 0.02
 Dy2-H8
 2.917456 with sigma of 0.02
 Dy3-H11
 3.120902 with sigma of 0.02
 C12-H8
 1.902208 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(N10)=Sof(C1AA)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=1-FVAR(1)
 Sof(N9)=Sof(C42)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=FVAR(1)
 Sof(H38C)=Sof(H38D)=Sof(C47)=Sof(H47A)=Sof(H47B)=Sof(H47C)=1-FVAR(2)
 Sof(H38A)=Sof(H38B)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=FVAR(2)
 Fixed Sof: O12(0.5) H12(0.5) O13(0.5) H13A(0.5) H13B(0.5) C46(0.5) H46A(0.5)
 H46B(0.5) H46C(0.5) O14(0.5) H14A(0.5) H14B(0.5) O15(0.25) H15A(0.25)
 H15B(0.25) O16(0.25) H16A(0.25) H16B(0.25) O17(0.25) H17A(0.25) H17B(0.25)
6.a Riding coordinates:
 O10(H10A,H10B), C41(H41A,H41B,H41C), C45(H45A,H45B,H45C), O13(H13A,H13B),
 C47(H47A,H47B,H47C), O14(H14A,H14B), O15(H15A,H15B), O16(H16A,H16B), O17(H17A,
 H17B)
6.b Ternary CH refined with riding coordinates:
 O2(H2), O3(H3), N6(H6)
6.c Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C28(H28A,H28B), C38(H38A,H38B), C38(H38C,H38D), C40(H40A,H40B)
6.d Me refined with riding coordinates:
 C12(H12A,H12B,H12C), C27(H27A,H27B,H27C), C34(H34A,H34B,H34C), C39(H39A,H39B,
 H39C), C43(H43A,H43B,H43C)
6.e Aromatic/amide H refined with riding coordinates:
 N3(H3A), N5(H5), C1(H1), C8(H8A), C11(H11A), C14(H14), C16(H16), C19(H19),
 C20(H20), C22(H22), C23(H23), C24(H24), C29(H29), C30(H30), C31(H31), C35(H35)
6.f Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C46(H46A,H46B,H46C)
6.g Idealised tetrahedral OH refined as rotating group:
 O12(H12)
;
_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 1.477
_oxdiff_exptl_absorpt_empirical_full_min 0.827
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 0.73882(2) 0.52517(2) 0.57203(2) 0.02101(7) Uani 1 1 d . U . . .
Dy2 Dy 0.52594(2) 0.43124(2) 0.50665(2) 0.02024(7) Uani 1 1 d D U . . .
Dy3 Dy 0.66075(2) 0.65124(2) 0.65035(2) 0.02556(7) Uani 1 1 d D U . . .
O1 O 0.4280(2) 0.36637(12) 0.5037(2) 0.0248(7) Uani 1 1 d . U . . .
O2 O 0.4254(2) 0.48810(12) 0.5315(2) 0.0217(6) Uani 1 1 d . U . . .
H2 H 0.432005 0.487369 0.594346 0.026 Uiso 1 1 calc R . . . .
O3 O 0.6235(2) 0.56262(11) 0.6193(2) 0.0217(6) Uani 1 1 d . U . . .
H3 H 0.618730 0.545100 0.670521 0.026 Uiso 1 1 calc R . . . .
O4 O 0.4374(2) 0.58271(14) 0.6189(3) 0.0335(8) Uani 1 1 d . U . . .
O5 O 0.5370(3) 0.64240(13) 0.6931(3) 0.0352(8) Uani 1 1 d . U . . .
O6 O 0.7750(2) 0.60934(13) 0.6131(3) 0.0289(7) Uani 1 1 d . U . . .
O7 O 0.5977(2) 0.72556(13) 0.6018(3) 0.0318(8) Uani 1 1 d . U . . .
O8 O 0.5730(3) 0.43624(15) 0.6670(3) 0.0376(9) Uani 1 1 d D U . . .
H8 H 0.5282(13) 0.437(2) 0.6862(14) 0.056 Uiso 1 1 d DR . . . .
O9 O 0.6914(2) 0.44200(12) 0.5621(2) 0.0248(7) Uani 1 1 d . U . . .
N1 N 0.8656(3) 0.45896(16) 0.5832(3) 0.0262(8) Uani 1 1 d . U . . .
O10 O 0.7480(3) 0.60576(15) 0.7841(3) 0.0451(11) Uani 1 1 d . U . . .
H10A H 0.746533 0.621300 0.829478 0.068 Uiso 1 1 d R . . . .
H10B H 0.736823 0.575580 0.793568 0.068 Uiso 1 1 d R . . . .
N2 N 0.6224(3) 0.35418(15) 0.5630(3) 0.0279(9) Uani 1 1 d . U . . .
N3 N 0.7152(3) 0.35650(15) 0.5697(3) 0.0296(9) Uani 1 1 d . U . . .
H3A H 0.749965 0.330729 0.574232 0.036 Uiso 1 1 calc R . . . .
N4 N 0.9128(3) 0.55333(15) 0.6104(3) 0.0254(8) Uani 1 1 d . U . . .
O11 O 0.7116(3) 0.70562(15) 0.7880(3) 0.0482(11) Uani 1 1 d D U . . .
H11 H 0.753(3) 0.6977(16) 0.8402(12) 0.072 Uiso 1 1 d DR . . . .
N5 N 0.8677(3) 0.68017(16) 0.6390(3) 0.0334(10) Uani 1 1 d . U . . .
H5 H 0.920119 0.694950 0.648604 0.040 Uiso 1 1 calc R . . . .
N6 N 0.4938(3) 0.89433(15) 0.5243(3) 0.0332(10) Uani 1 1 d . U . . .
H6 H 0.435103 0.875603 0.509354 0.040 Uiso 1 1 calc R . . . .
N7 N 0.7850(3) 0.70435(16) 0.6350(3) 0.0326(10) Uani 1 1 d . U . . .
C1 C 0.6052(3) 0.31321(18) 0.5961(4) 0.0278(10) Uani 1 1 d . U . . .
H1 H 0.653081 0.289588 0.616895 0.033 Uiso 1 1 calc R . . . .
C2 C 0.4342(3) 0.32921(18) 0.5612(4) 0.0285(10) Uani 1 1 d . U . . .
C3 C 0.4774(3) 0.60942(19) 0.6872(4) 0.0316(10) Uani 1 1 d . U . . .
C4 C 0.9806(3) 0.52253(19) 0.6095(3) 0.0270(10) Uani 1 1 d . U . . .
C5 C 0.9553(3) 0.46883(19) 0.5961(4) 0.0281(10) Uani 1 1 d . U . . .
C6 C 0.5186(3) 0.30148(18) 0.6032(4) 0.0270(10) Uani 1 1 d . U . . .
C7 C 0.7424(3) 0.40217(18) 0.5683(4) 0.0265(10) Uani 1 1 d . U . . .
O12 O 0.4450(16) 0.4296(8) 0.744(2) 0.058(4) Uani 0.5 1 d D U P A 1
H12 H 0.410413 0.447437 0.758392 0.087 Uiso 0.5 1 calc GR . P A 1
C8 C 1.0702(4) 0.5402(2) 0.6224(4) 0.0375(12) Uani 1 1 d . U . . .
H8A H 1.116494 0.518149 0.621922 0.045 Uiso 1 1 calc R . . . .
C9 C 0.8534(3) 0.63274(18) 0.6262(3) 0.0270(10) Uani 1 1 d . U . . .
C10 C 0.8399(3) 0.41090(19) 0.5769(4) 0.0311(10) Uani 1 1 d . U . . .
C11 C 0.3552(4) 0.3162(2) 0.5780(4) 0.0344(11) Uani 1 1 d . U . . .
H11A H 0.301032 0.335482 0.552685 0.041 Uiso 1 1 calc R . . . .
C12 C 0.6501(4) 0.4140(3) 0.7399(4) 0.0467(15) Uani 1 1 d D U . . .
H12A H 0.647852 0.424024 0.796016 0.070 Uiso 1 1 calc R . . . .
H12B H 0.645766 0.378282 0.734688 0.070 Uiso 1 1 calc R . . . .
H12C H 0.708395 0.424888 0.737806 0.070 Uiso 1 1 calc R . . . .
C13 C 0.9320(3) 0.60197(19) 0.6244(3) 0.0270(9) Uani 1 1 d . U . . .
C14 C 0.5159(4) 0.25987(19) 0.6548(4) 0.0316(11) Uani 1 1 d . U . . .
H14 H 0.569806 0.240436 0.680439 0.038 Uiso 1 1 calc R . . . .
C15 C 0.4566(4) 0.5974(2) 0.7700(4) 0.0433(13) Uani 1 1 d . U . . .
C16 C 1.0199(3) 0.6225(2) 0.6373(4) 0.0354(11) Uani 1 1 d . U . . .
H16 H 1.030845 0.656645 0.646319 0.042 Uiso 1 1 calc R . . . .
C17 C 0.6193(3) 0.77091(18) 0.5909(4) 0.0317(11) Uani 1 1 d . U . . .
C18 C 0.4858(4) 0.9221(2) 0.4402(4) 0.0405(13) Uani 1 1 d . U . . .
H18A H 0.429710 0.942752 0.420221 0.049 Uiso 1 1 calc R . . . .
H18B H 0.539638 0.944027 0.454393 0.049 Uiso 1 1 calc R . . . .
C19 C 0.7890(4) 0.7520(2) 0.6253(4) 0.0381(12) Uani 1 1 d . U . . .
H19 H 0.846946 0.765163 0.631628 0.046 Uiso 1 1 calc R . . . .
C20 C 0.5483(3) 0.80820(18) 0.5623(4) 0.0317(11) Uani 1 1 d . U . . .
H20 H 0.486093 0.799524 0.549230 0.038 Uiso 1 1 calc R . . . .
N8 N 0.2751(4) 0.2626(2) 0.6456(5) 0.0556(13) Uani 1 1 d . U . . .
C21 C 0.5712(4) 0.85722(19) 0.5539(4) 0.0360(12) Uani 1 1 d . U . . .
C22 C 0.4377(4) 0.2466(2) 0.6691(4) 0.0386(12) Uani 1 1 d . U . . .
H22 H 0.439302 0.218602 0.703763 0.046 Uiso 1 1 calc R . . . .
C23 C 1.0891(4) 0.5909(2) 0.6361(5) 0.0448(13) Uani 1 1 d . U . . .
H23 H 1.148137 0.603357 0.644346 0.054 Uiso 1 1 calc R . . . .
C24 C 1.0199(4) 0.4319(2) 0.6008(5) 0.0433(13) Uani 1 1 d . U . . .
H24 H 1.080963 0.440216 0.608291 0.052 Uiso 1 1 calc R . . . .
C25 C 0.7129(4) 0.7864(2) 0.6056(4) 0.0379(12) Uani 1 1 d . U . . .
C26 C 0.3544(4) 0.2751(2) 0.6318(4) 0.0399(12) Uani 1 1 d . U . . .
C27 C 0.4809(5) 0.8875(3) 0.3649(5) 0.0565(18) Uani 1 1 d . U . . .
H27A H 0.475923 0.906877 0.313258 0.085 Uiso 1 1 calc R . . . .
H27B H 0.536885 0.867468 0.383879 0.085 Uiso 1 1 calc R . . . .
H27C H 0.426957 0.866193 0.349707 0.085 Uiso 1 1 calc R . . . .
C28 C 0.4998(4) 0.9303(2) 0.5967(4) 0.0426(14) Uani 1 1 d . U . . .
H28A H 0.445219 0.952092 0.575151 0.051 Uiso 1 1 calc R . . . .
H28B H 0.555328 0.950965 0.610933 0.051 Uiso 1 1 calc R . . . .
C29 C 0.7307(4) 0.8365(2) 0.5944(5) 0.0450(14) Uani 1 1 d . U . . .
H29 H 0.791970 0.845796 0.604402 0.054 Uiso 1 1 calc R . . . .
C30 C 0.6620(4) 0.8730(2) 0.5692(4) 0.0443(14) Uani 1 1 d . U . . .
H30 H 0.675655 0.906223 0.562858 0.053 Uiso 1 1 calc R . . . .
C31 C 0.9006(4) 0.3715(2) 0.5810(5) 0.0496(15) Uani 1 1 d . U . . .
H31 H 0.879871 0.338549 0.574989 0.060 Uiso 1 1 calc R . . . .
C32 C 0.4816(5) 0.6417(3) 0.8349(5) 0.0585(18) Uani 1 1 d . U . . .
H32A H 0.546180 0.650767 0.850650 0.088 Uiso 1 1 calc GR . . . .
H32B H 0.472257 0.632634 0.888187 0.088 Uiso 1 1 calc GR . . . .
H32C H 0.441932 0.669613 0.806468 0.088 Uiso 1 1 calc GR . . . .
C33 C 0.6485(5) 0.7449(3) 0.8020(5) 0.0592(18) Uani 1 1 d D U . . .
H33A H 0.584077 0.737237 0.765369 0.089 Uiso 1 1 calc GR . . . .
H33B H 0.664125 0.777060 0.785371 0.089 Uiso 1 1 calc GR . . . .
H33C H 0.657254 0.745424 0.864151 0.089 Uiso 1 1 calc GR . . . .
C34 C 0.5043(6) 0.9041(3) 0.6809(5) 0.0588(19) Uani 1 1 d . U . . .
H34A H 0.508083 0.928523 0.725712 0.088 Uiso 1 1 calc R . . . .
H34B H 0.448840 0.884174 0.667360 0.088 Uiso 1 1 calc R . . . .
H34C H 0.558891 0.883048 0.703123 0.088 Uiso 1 1 calc R . . . .
C35 C 0.9917(4) 0.3826(2) 0.5942(6) 0.0574(16) Uani 1 1 d . U . . .
H35 H 1.034168 0.357112 0.598720 0.069 Uiso 1 1 calc R . . . .
C36 C 0.3533(5) 0.5835(4) 0.7428(6) 0.075(2) Uani 1 1 d . U . . .
H36A H 0.314267 0.609462 0.705752 0.113 Uiso 1 1 calc GR . . . .
H36B H 0.340264 0.579583 0.795728 0.113 Uiso 1 1 calc GR . . . .
H36C H 0.340531 0.552673 0.709721 0.113 Uiso 1 1 calc GR . . . .
C37 C 0.5185(7) 0.5520(4) 0.8160(6) 0.082(3) Uani 1 1 d . U . . .
H37A H 0.506508 0.525258 0.773388 0.123 Uiso 1 1 calc GR . . . .
H37B H 0.503789 0.541253 0.865588 0.123 Uiso 1 1 calc GR . . . .
H37C H 0.583583 0.561357 0.837585 0.123 Uiso 1 1 calc GR . . . .
C38 C 0.1939(5) 0.2965(3) 0.6241(6) 0.0637(18) Uani 1 1 d D U . . .
H38A H 0.137719 0.277522 0.616106 0.076 Uiso 0.461(15) 1 calc R . P B 1
H38B H 0.183098 0.314527 0.568913 0.076 Uiso 0.461(15) 1 calc R . P B 1
H38C H 0.207488 0.328750 0.604613 0.076 Uiso 0.539(15) 1 calc R . P B 2
H38D H 0.179068 0.301402 0.676538 0.076 Uiso 0.539(15) 1 calc R . P B 2
C39 C 0.2584(6) 0.1698(3) 0.6323(7) 0.081(3) Uani 1 1 d . U . . .
H39A H 0.257050 0.140050 0.664935 0.121 Uiso 1 1 calc R . . . .
H39B H 0.200073 0.173028 0.580954 0.121 Uiso 1 1 calc R . . . .
H39C H 0.309355 0.167744 0.612637 0.121 Uiso 1 1 calc R . . . .
C40 C 0.2726(5) 0.2157(3) 0.6939(6) 0.0642(18) Uani 1 1 d . U . . .
H40A H 0.221653 0.217457 0.714535 0.077 Uiso 1 1 calc R . . . .
H40B H 0.331086 0.212165 0.746261 0.077 Uiso 1 1 calc R . . . .
Cl1 Cl 0.81823(9) 0.50531(5) 0.75095(9) 0.0374(3) Uani 1 1 d . U . . .
Cl2 Cl 0.74758(8) 0.54411(5) 0.41230(9) 0.0329(3) Uani 1 1 d . U . . .
C41 C 0.2156(12) 0.3323(6) 0.7006(10) 0.068(5) Uani 0.461(15) 1 d D U P B 1
H41A H 0.206950 0.316097 0.749726 0.102 Uiso 0.461(15) 1 d R . P B 1
H41B H 0.174250 0.360557 0.681216 0.102 Uiso 0.461(15) 1 d R . P B 1
H41C H 0.279610 0.343307 0.719736 0.102 Uiso 0.461(15) 1 d R . P B 1
N9 N 0.6534(17) 0.2773(11) 0.409(2) 0.083(5) Uani 0.413(11) 1 d D U P C 1
C42 C 0.7186(13) 0.2951(8) 0.4003(15) 0.076(5) Uani 0.413(11) 1 d D U P C 1
C43 C 0.8152(14) 0.2992(9) 0.4061(16) 0.095(6) Uani 0.413(11) 1 d D U P C 1
H43A H 0.822765 0.330261 0.380084 0.143 Uiso 0.413(11) 1 calc R . P C 1
H43B H 0.858127 0.297930 0.468020 0.143 Uiso 0.413(11) 1 calc R . P C 1
H43C H 0.828026 0.271946 0.373934 0.143 Uiso 0.413(11) 1 calc R . P C 1
N10 N 0.6281(10) 0.2684(5) 0.4017(9) 0.056(3) Uani 0.587(11) 1 d D U P C 2
C1AA C 0.6118(9) 0.2430(5) 0.3376(8) 0.057(3) Uani 0.587(11) 1 d D U P C 2
C45 C 0.5858(11) 0.2114(6) 0.2624(10) 0.077(4) Uani 0.587(11) 1 d D U P C 2
H45A H 0.568687 0.231311 0.208945 0.116 Uiso 0.587(11) 1 d R . P C 2
H45B H 0.533108 0.191271 0.259045 0.116 Uiso 0.587(11) 1 d R . P C 2
H45C H 0.637637 0.190081 0.267605 0.116 Uiso 0.587(11) 1 d R . P C 2
O13 O 0.6956(9) 0.9851(5) 0.4641(14) 0.123(6) Uani 0.5 1 d . U P . .
H13A H 0.692896 0.963679 0.424289 0.185 Uiso 0.5 1 d R . P . .
H13B H 0.642226 0.987239 0.467369 0.185 Uiso 0.5 1 d R . P . .
C46 C 0.4510(13) 0.3804(7) 0.7834(13) 0.081(4) Uani 0.5 1 d D U P A 1
H46A H 0.389722 0.365335 0.761322 0.121 Uiso 0.5 1 calc GR . P A 1
H46B H 0.474301 0.383421 0.847680 0.121 Uiso 0.5 1 calc GR . P A 1
H46C H 0.493016 0.359784 0.767567 0.121 Uiso 0.5 1 calc GR . P A 1
C47 C 0.1139(9) 0.2720(6) 0.5505(9) 0.081(5) Uani 0.539(15) 1 d D U P B 2
H47A H 0.132594 0.263373 0.502292 0.121 Uiso 0.539(15) 1 d R . P B 2
H47B H 0.061394 0.294493 0.528692 0.121 Uiso 0.539(15) 1 d R . P B 2
H47C H 0.096104 0.242193 0.573062 0.121 Uiso 0.539(15) 1 d R . P B 2
Cl3 Cl 0.29225(10) 0.85074(6) 0.47292(11) 0.0475(4) Uani 1 1 d . U . . .
O14 O 0.442(2) 0.4245(10) 0.729(2) 0.084(7) Uani 0.5 1 d . U P D 2
H14A H 0.436355 0.401496 0.762640 0.126 Uiso 0.5 1 d R . P D 2
H14B H 0.386985 0.429706 0.690691 0.126 Uiso 0.5 1 d R . P D 2
O15 O 0.189(2) 0.9225(12) 0.584(2) 0.098(9) Uani 0.25 1 d . U P E -1
H15A H 0.201141 0.937124 0.641613 0.147 Uiso 0.25 1 d R . P E -1
H15B H 0.127151 0.908433 0.559793 0.147 Uiso 0.25 1 d R . P E -1
O16 O 0.605(2) 0.4472(11) 0.9766(17) 0.095(8) Uani 0.25 1 d . U P . .
H16A H 0.626879 0.420509 1.005624 0.142 Uiso 0.25 1 d R . P . .
H16B H 0.647149 0.462199 0.965364 0.142 Uiso 0.25 1 d R . P . .
O17 O 0.250(2) 0.4363(14) 0.834(2) 0.125(11) Uani 0.25 1 d . U P F -1
H17A H 0.291645 0.439587 0.812514 0.187 Uiso 0.25 1 d R . P F -1
H17B H 0.256335 0.462227 0.866644 0.187 Uiso 0.25 1 d R . P F -1
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy2 Dy1 Dy2 56.771(6) . 3_666 ?
Dy2 Dy1 Dy3 107.555(6) . . ?
Dy3 Dy1 Dy2 56.196(5) . 3_666 ?
O2 Dy1 Dy2 36.35(7) 3_666 . ?
O2 Dy1 Dy2 33.03(7) 3_666 3_666 ?
O2 Dy1 Dy3 88.72(7) 3_666 . ?
O2 Dy1 N1 119.94(12) 3_666 . ?
O2 Dy1 N4 153.13(12) 3_666 . ?
O2 Dy1 Cl1 127.69(8) 3_666 . ?
O2 Dy1 Cl2 78.55(8) 3_666 . ?
O3 Dy1 Dy2 34.93(7) . 3_666 ?
O3 Dy1 Dy2 72.95(7) . . ?
O3 Dy1 Dy3 35.79(7) . . ?
O3 Dy1 O2 65.30(11) . 3_666 ?
O3 Dy1 N1 153.15(12) . . ?
O3 Dy1 N4 128.46(12) . . ?
O3 Dy1 Cl1 79.90(8) . . ?
O3 Dy1 Cl2 123.25(8) . . ?
O6 Dy1 Dy2 140.07(8) . . ?
O6 Dy1 Dy2 84.80(8) . 3_666 ?
O6 Dy1 Dy3 33.04(8) . . ?
O6 Dy1 O2 113.44(11) . 3_666 ?
O6 Dy1 O3 68.70(11) . . ?
O6 Dy1 N1 123.00(12) . . ?
O6 Dy1 N4 63.28(12) . . ?
O6 Dy1 Cl1 85.94(10) . . ?
O6 Dy1 Cl2 89.67(10) . . ?
O9 Dy1 Dy2 90.08(7) . 3_666 ?
O9 Dy1 Dy2 33.37(7) . . ?
O9 Dy1 Dy3 135.19(8) . . ?
O9 Dy1 O2 66.52(10) . 3_666 ?
O9 Dy1 O3 99.59(11) . . ?
O9 Dy1 O6 165.43(13) . . ?
O9 Dy1 N1 64.00(12) . . ?
O9 Dy1 N4 123.85(12) . . ?
O9 Dy1 Cl1 83.39(9) . . ?
O9 Dy1 Cl2 104.32(9) . . ?
N1 Dy1 Dy2 151.86(9) . 3_666 ?
N1 Dy1 Dy2 96.43(9) . . ?
N1 Dy1 Dy3 151.30(9) . . ?
N1 Dy1 N4 60.20(13) . . ?
N1 Dy1 Cl1 77.26(10) . . ?
N1 Dy1 Cl2 82.72(10) . . ?
N4 Dy1 Dy2 156.58(9) . . ?
N4 Dy1 Dy2 145.81(9) . 3_666 ?
N4 Dy1 Dy3 95.35(9) . . ?
N4 Dy1 Cl1 79.19(10) . . ?
N4 Dy1 Cl2 74.82(10) . . ?
Cl1 Dy1 Dy2 98.10(3) . . ?
Cl1 Dy1 Dy2 112.18(3) . 3_666 ?
Cl1 Dy1 Dy3 83.84(3) . . ?
Cl2 Dy1 Dy2 94.17(3) . 3_666 ?
Cl2 Dy1 Dy2 102.43(3) . . ?
Cl2 Dy1 Dy3 106.51(3) . . ?
Cl2 Dy1 Cl1 152.72(4) . . ?
Dy1 Dy2 Dy1 123.227(6) . 3_666 ?
Dy2 Dy2 Dy1 61.803(6) 3_666 . ?
Dy2 Dy2 Dy1 61.424(6) 3_666 3_666 ?
Dy3 Dy2 Dy1 61.904(6) 3_666 3_666 ?
Dy3 Dy2 Dy1 154.414(8) 3_666 . ?
Dy3 Dy2 Dy2 116.787(8) 3_666 3_666 ?
O1 Dy2 Dy1 67.95(8) . 3_666 ?
O1 Dy2 Dy1 164.58(8) . . ?
O1 Dy2 Dy2 128.06(8) . 3_666 ?
O1 Dy2 Dy3 37.69(9) . 3_666 ?
O1 Dy2 O2 91.00(11) . . ?
O1 Dy2 O2 158.51(10) . 3_666 ?
O1 Dy2 O3 68.15(11) . 3_666 ?
O1 Dy2 O4 104.17(13) . 3_666 ?
O1 Dy2 O8 88.96(13) . . ?
O1 Dy2 O9 134.88(11) . . ?
O1 Dy2 N2 71.20(12) . . ?
O2 Dy2 Dy1 36.55(7) 3_666 . ?
O2 Dy2 Dy1 94.68(8) . . ?
O2 Dy2 Dy1 35.21(8) . 3_666 ?
O2 Dy2 Dy1 92.37(7) 3_666 3_666 ?
O2 Dy2 Dy2 36.88(7) 3_666 3_666 ?
O2 Dy2 Dy2 39.19(8) . 3_666 ?
O2 Dy2 Dy3 96.54(8) . 3_666 ?
O2 Dy2 Dy3 125.74(8) 3_666 3_666 ?
O2 Dy2 O2 76.07(12) . 3_666 ?
O2 Dy2 O3 67.45(11) . 3_666 ?
O2 Dy2 O4 131.45(12) . 3_666 ?
O2 Dy2 O8 73.49(12) . . ?
O2 Dy2 O9 123.48(11) . . ?
O2 Dy2 N2 128.44(11) 3_666 . ?
O2 Dy2 N2 145.37(13) . . ?
O3 Dy2 Dy1 127.24(8) 3_666 . ?
O3 Dy2 Dy1 35.03(8) 3_666 3_666 ?
O3 Dy2 Dy2 76.85(7) 3_666 3_666 ?
O3 Dy2 Dy3 40.23(7) 3_666 3_666 ?
O3 Dy2 O2 90.85(10) 3_666 3_666 ?
O3 Dy2 N2 126.94(12) 3_666 . ?
O4 Dy2 Dy1 109.96(9) 3_666 3_666 ?
O4 Dy2 Dy1 82.67(9) 3_666 . ?
O4 Dy2 Dy2 103.04(10) 3_666 3_666 ?
O4 Dy2 Dy3 72.67(9) 3_666 3_666 ?
O4 Dy2 O2 73.61(12) 3_666 3_666 ?
O4 Dy2 O3 75.98(12) 3_666 3_666 ?
O4 Dy2 O8 150.36(12) 3_666 . ?
O4 Dy2 O9 75.73(12) 3_666 . ?
O4 Dy2 N2 82.56(14) 3_666 . ?
O8 Dy2 Dy1 78.98(10) . . ?
O8 Dy2 Dy1 99.57(9) . 3_666 ?
O8 Dy2 Dy2 88.54(9) . 3_666 ?
O8 Dy2 Dy3 126.31(10) . 3_666 ?
O8 Dy2 O2 103.33(13) . 3_666 ?
O8 Dy2 O3 133.60(12) . 3_666 ?
O8 Dy2 N2 76.64(14) . . ?
O9 Dy2 Dy1 32.68(8) . . ?
O9 Dy2 Dy1 155.75(8) . 3_666 ?
O9 Dy2 Dy2 94.42(8) . 3_666 ?
O9 Dy2 Dy3 139.51(8) . 3_666 ?
O9 Dy2 O2 66.07(10) . 3_666 ?
O9 Dy2 O3 147.55(12) . 3_666 ?
O9 Dy2 O8 76.24(13) . . ?
O9 Dy2 N2 64.00(12) . . ?
N2 Dy2 Dy1 139.04(9) . 3_666 ?
N2 Dy2 Dy1 96.45(9) . . ?
N2 Dy2 Dy2 156.00(9) . 3_666 ?
N2 Dy2 Dy3 87.20(9) . 3_666 ?
Dy2 Dy3 Dy1 61.900(5) 3_666 . ?
O1 Dy3 Dy1 67.51(8) 3_666 . ?
O1 Dy3 Dy2 36.23(8) 3_666 3_666 ?
O1 Dy3 O3 66.38(11) 3_666 . ?
O1 Dy3 O10 137.63(12) 3_666 . ?
O1 Dy3 O11 153.63(13) 3_666 . ?
O1 Dy3 N7 99.20(14) 3_666 . ?
O3 Dy3 Dy1 35.31(7) . . ?
O3 Dy3 Dy2 39.56(7) . 3_666 ?
O3 Dy3 O11 135.22(13) . . ?
O3 Dy3 N7 131.62(13) . . ?
O5 Dy3 Dy1 113.92(9) . . ?
O5 Dy3 Dy2 68.20(10) . 3_666 ?
O5 Dy3 O1 95.14(13) . 3_666 ?
O5 Dy3 O3 78.73(12) . . ?
O5 Dy3 O6 145.72(12) . . ?
O5 Dy3 O10 85.17(15) . . ?
O5 Dy3 O11 78.44(15) . . ?
O5 Dy3 N7 149.61(14) . . ?
O6 Dy3 Dy1 32.89(8) . . ?
O6 Dy3 Dy2 90.10(8) . 3_666 ?
O6 Dy3 O1 79.58(12) . 3_666 ?
O6 Dy3 O3 68.06(11) . . ?
O6 Dy3 O10 77.05(14) . . ?
O6 Dy3 O11 119.77(14) . . ?
O6 Dy3 N7 63.87(13) . . ?
O7 Dy3 Dy1 142.97(11) . . ?
O7 Dy3 Dy2 100.09(9) . 3_666 ?
O7 Dy3 O1 79.29(12) . 3_666 ?
O7 Dy3 O3 139.61(11) . . ?
O7 Dy3 O5 84.05(14) . . ?
O7 Dy3 O6 127.14(13) . . ?
O7 Dy3 O10 142.38(14) . . ?
O7 Dy3 O11 74.64(14) . . ?
O7 Dy3 N7 72.59(13) . . ?
O10 Dy3 Dy1 73.73(10) . . ?
O10 Dy3 Dy2 109.03(10) . 3_666 ?
O10 Dy3 O3 72.23(12) . . ?
O10 Dy3 O11 67.90(14) . . ?
O10 Dy3 N7 101.46(15) . . ?
O11 Dy3 Dy1 138.51(10) . . ?
O11 Dy3 Dy2 146.62(11) . 3_666 ?
N7 Dy3 Dy1 96.34(10) . . ?
N7 Dy3 Dy2 133.99(11) . 3_666 ?
N7 Dy3 O11 76.83(16) . . ?
Dy2 O1 Dy3 106.08(13) . 3_666 ?
C2 O1 Dy2 133.0(3) . . ?
C2 O1 Dy3 115.8(3) . 3_666 ?
Dy2 O2 Dy1 111.75(13) . 3_666 ?
Dy2 O2 Dy1 107.10(12) 3_666 3_666 ?
Dy2 O2 Dy2 103.93(12) . 3_666 ?
Dy1 O3 Dy3 108.90(12) . . ?
Dy2 O3 Dy1 110.04(13) 3_666 . ?
Dy2 O3 Dy3 100.21(11) 3_666 . ?
C3 O4 Dy2 130.6(3) . 3_666 ?
C3 O5 Dy3 136.8(3) . . ?
Dy1 O6 Dy3 114.07(13) . . ?
C9 O6 Dy1 127.4(3) . . ?
C9 O6 Dy3 118.1(3) . . ?
C17 O7 Dy3 142.3(3) . . ?
C12 O8 Dy2 131.6(4) . . ?
Dy1 O9 Dy2 113.94(12) . . ?
C7 O9 Dy1 127.6(3) . . ?
C7 O9 Dy2 117.3(3) . . ?
C5 N1 Dy1 125.6(3) . . ?
C10 N1 Dy1 117.1(3) . . ?
C10 N1 C5 117.3(4) . . ?
N3 N2 Dy2 116.1(3) . . ?
C1 N2 Dy2 131.3(3) . . ?
C1 N2 N3 112.2(4) . . ?
C7 N3 N2 111.8(4) . . ?
C4 N4 Dy1 123.8(3) . . ?
C13 N4 Dy1 117.4(3) . . ?
C13 N4 C4 118.6(4) . . ?
C33 O11 Dy3 122.7(4) . . ?
C9 N5 N7 110.4(4) . . ?
C21 N6 C18 112.9(5) . . ?
C21 N6 C28 112.7(4) . . ?
C28 N6 C18 110.3(4) . . ?
N5 N7 Dy3 117.2(3) . . ?
C19 N7 Dy3 131.0(4) . . ?
C19 N7 N5 111.9(4) . . ?
N2 C1 C6 125.1(4) . . ?
O1 C2 C6 121.4(4) . . ?
O1 C2 C11 119.4(4) . . ?
C11 C2 C6 119.1(5) . . ?
O4 C3 C15 116.8(5) . . ?
O5 C3 O4 124.0(5) . . ?
O5 C3 C15 119.0(5) . . ?
N4 C4 C5 115.8(4) . . ?
N4 C4 C8 121.7(5) . . ?
C8 C4 C5 122.6(4) . . ?
N1 C5 C4 114.2(4) . . ?
N1 C5 C24 123.1(5) . . ?
C24 C5 C4 122.6(4) . . ?
C2 C6 C1 124.2(5) . . ?
C14 C6 C1 118.2(4) . . ?
C14 C6 C2 117.6(4) . . ?
O9 C7 C10 116.2(4) . . ?
N3 C7 O9 125.5(4) . . ?
N3 C7 C10 118.3(4) . . ?
C23 C8 C4 119.2(5) . . ?
O6 C9 C13 116.6(4) . . ?
N5 C9 O6 125.9(4) . . ?
N5 C9 C13 117.4(4) . . ?
N1 C10 C7 114.9(4) . . ?
N1 C10 C31 123.2(5) . . ?
C31 C10 C7 121.9(5) . . ?
C2 C11 C26 122.5(5) . . ?
N4 C13 C9 114.6(4) . . ?
N4 C13 C16 123.0(5) . . ?
C16 C13 C9 122.4(5) . . ?
C22 C14 C6 122.9(5) . . ?
C3 C15 C32 110.8(5) . . ?
C3 C15 C37 106.4(5) . . ?
C32 C15 C37 109.8(7) . . ?
C36 C15 C3 110.8(5) . . ?
C36 C15 C32 109.9(6) . . ?
C36 C15 C37 109.1(7) . . ?
C23 C16 C13 118.3(5) . . ?
O7 C17 C20 119.8(4) . . ?
O7 C17 C25 123.4(5) . . ?
C20 C17 C25 116.8(5) . . ?
C27 C18 N6 112.7(5) . . ?
N7 C19 C25 126.2(5) . . ?
C21 C20 C17 120.3(5) . . ?
C26 N8 C38 123.0(5) . . ?
C26 N8 C40 120.1(5) . . ?
C38 N8 C40 116.5(5) . . ?
C20 C21 N6 117.6(5) . . ?
C20 C21 C30 123.4(5) . . ?
C30 C21 N6 119.0(5) . . ?
C14 C22 C26 120.5(5) . . ?
C16 C23 C8 119.2(5) . . ?
C35 C24 C5 118.5(5) . . ?
C19 C25 C17 122.7(5) . . ?
C29 C25 C17 119.7(5) . . ?
C29 C25 C19 117.4(5) . . ?
C11 C26 C22 117.2(5) . . ?
N8 C26 C11 121.2(5) . . ?
N8 C26 C22 121.6(5) . . ?
N6 C28 C34 112.0(5) . . ?
C30 C29 C25 123.3(5) . . ?
C29 C30 C21 116.4(5) . . ?
C35 C31 C10 118.3(6) . . ?
C31 C35 C24 119.6(6) . . ?
N8 C38 C41 107.9(9) . . ?
N8 C38 C47 106.2(8) . . ?
N8 C40 C39 111.0(7) . . ?
N9 C42 C43 158(3) . . ?
N10 C1AA C45 175.2(13) . . ?
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 Dy2 3.9415(3) . ?
Dy1 Dy2 3.9555(3) 3_666 ?
Dy1 Dy3 3.9557(3) . ?
Dy1 O2 2.456(3) 3_666 ?
Dy1 O3 2.417(3) . ?
Dy1 O6 2.352(3) . ?
Dy1 O9 2.329(3) . ?
Dy1 N1 2.596(4) . ?
Dy1 N4 2.623(4) . ?
Dy1 Cl1 2.7139(14) . ?
Dy1 Cl2 2.6876(13) . ?
Dy2 Dy2 3.7543(4) 3_666 ?
Dy2 Dy3 3.7260(3) 3_666 ?
Dy2 O1 2.292(3) . ?
Dy2 O2 2.444(3) 3_666 ?
Dy2 O2 2.322(3) . ?
Dy2 O3 2.411(3) 3_666 ?
Dy2 O4 2.343(4) 3_666 ?
Dy2 O8 2.405(4) . ?
Dy2 O9 2.372(3) . ?
Dy2 N2 2.498(4) . ?
Dy3 O1 2.371(3) 3_666 ?
Dy3 O3 2.445(3) . ?
Dy3 O5 2.288(4) . ?
Dy3 O6 2.362(3) . ?
Dy3 O7 2.218(3) . ?
Dy3 O10 2.384(4) . ?
Dy3 O11 2.513(4) . ?
Dy3 N7 2.480(4) . ?
O1 C2 1.339(6) . ?
O4 C3 1.256(6) . ?
O5 C3 1.253(6) . ?
O6 C9 1.306(5) . ?
O7 C17 1.289(6) . ?
O8 C12 1.435(7) . ?
O9 C7 1.306(5) . ?
N1 C5 1.345(6) . ?
N1 C10 1.338(7) . ?
N2 N3 1.396(5) . ?
N2 C1 1.293(6) . ?
N3 C7 1.296(6) . ?
N4 C4 1.339(6) . ?
N4 C13 1.334(6) . ?
O11 C33 1.510(8) . ?
N5 N7 1.411(6) . ?
N5 C9 1.291(7) . ?
N6 C18 1.511(8) . ?
N6 C21 1.482(6) . ?
N6 C28 1.491(7) . ?
N7 C19 1.288(7) . ?
C1 C6 1.424(7) . ?
C2 C6 1.420(6) . ?
C2 C11 1.397(7) . ?
C3 C15 1.528(9) . ?
C4 C5 1.483(7) . ?
C4 C8 1.399(7) . ?
C5 C24 1.385(7) . ?
C6 C14 1.402(7) . ?
C7 C10 1.477(6) . ?
O12 C46 1.454(10) . ?
C8 C23 1.389(9) . ?
C9 C13 1.478(7) . ?
C10 C31 1.396(7) . ?
C11 C26 1.406(7) . ?
C13 C16 1.404(7) . ?
C14 C22 1.365(8) . ?
C15 C32 1.529(9) . ?
C15 C36 1.526(9) . ?
C15 C37 1.544(11) . ?
C16 C23 1.370(8) . ?
C17 C20 1.420(7) . ?
C17 C25 1.432(7) . ?
C18 C27 1.508(9) . ?
C19 C25 1.430(8) . ?
C20 C21 1.379(7) . ?
N8 C26 1.370(7) . ?
N8 C38 1.476(9) . ?
N8 C40 1.487(8) . ?
C21 C30 1.392(8) . ?
C22 C26 1.412(8) . ?
C24 C35 1.381(9) . ?
C25 C29 1.393(8) . ?
C28 C34 1.507(10) . ?
C29 C30 1.381(8) . ?
C31 C35 1.372(9) . ?
C38 C41 1.493(9) . ?
C38 C47 1.490(9) . ?
C39 C40 1.542(13) . ?
N9 C42 1.175(10) . ?
C42 C43 1.464(10) . ?
N10 C1AA 1.181(9) . ?
C1AA C45 1.404(9) . ?
