#------------------------------------------------------------------------------
#$Date: 2020-08-06 17:04:43 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254998 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/46/7704641.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_7704641
loop_
_publ_author_name
'Huang, Yuan'
'Li, Jia-Xin'
'Ge, Yu'
'Zhang, Xia-Mei'
'Xu, Yang'
'Li, Yahong'
'Zhang, Yi-Quan'
'Yao, Jin-Lei'
_publ_section_title
;
 Designing asymmetric Dy₂ single-molecule magnets with two-step
 relaxation processes by the modification of the coordination environments
 of Dy(iii) ions.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8976
_journal_page_last               8984
_journal_paper_doi               10.1039/d0dt01619e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C34 H30 Cl2 Dy2 N3 O13, C6 H16 N'
_chemical_formula_sum            'C40 H46 Cl2 Dy2 N4 O13'
_chemical_formula_weight         1186.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-07
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-30 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                99.610(2)
_cell_angle_beta                 106.439(2)
_cell_angle_gamma                94.958(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9104(5)
_cell_length_b                   13.6490(7)
_cell_length_c                   17.3574(9)
_cell_measurement_reflns_used    9113
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.47
_cell_volume                     2198.0(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            78024
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.631
_diffrn_reflns_theta_min         2.467
_exptl_absorpt_coefficient_mu    3.562
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1603 before and 0.0863 after correction.
The Ratio of minimum to maximum transmission is 0.6644.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.516
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         10131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0277
_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)+(0.0249P)²+2.3338P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0653
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8225
_reflns_number_total             10131
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01619e2.cif
_cod_data_source_block           b190907a_0m
_cod_depositor_comments
'Adding full bibliography for 7704641--7704642.cif.'
_cod_database_code               7704641
_shelx_shelxl_version_number     2014/7
_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   0.536
_shelx_estimated_absorpt_t_min   0.536
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C26(H26A,H26B), C33(H33A,H33B), C35(H35A,H35B), C37(H37A,H37B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C9(H9), C14(H14), C16(H16), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23), C25(H25), C27(H27), C29(H29), C32(H32)
2.c Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C30(H30A,H30B,H30C), C34(H34A,H34B,H34C), C36(H36A,H36B,
 H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.25286(2) 0.54727(2) 0.22374(2) 0.01795(5) Uani 1 1 d . . . . .
Dy2 Dy 0.42093(2) 0.32455(2) 0.27645(2) 0.02084(5) Uani 1 1 d . . . . .
Cl1 Cl 0.73311(10) -0.01597(7) 0.53084(6) 0.0380(2) Uani 1 1 d . . . . .
Cl2 Cl -0.13801(11) 0.94552(7) 0.31963(7) 0.0413(2) Uani 1 1 d . . . . .
O1 O 0.4689(2) 0.48541(15) 0.25883(13) 0.0200(5) Uani 1 1 d . . . . .
O2 O 0.2861(3) 0.51909(18) 0.08661(15) 0.0313(6) Uani 1 1 d . . . . .
O3 O 0.2149(2) 0.36939(15) 0.19519(13) 0.0205(5) Uani 1 1 d . . . . .
O4 O 0.5066(2) 0.21932(18) 0.35443(16) 0.0311(6) Uani 1 1 d . . . . .
O5 O 0.2017(2) 0.22076(17) 0.27554(15) 0.0278(5) Uani 1 1 d . . . . .
O6 O 0.4402(2) 0.66004(17) 0.34016(14) 0.0283(5) Uani 1 1 d . . . . .
O7 O 0.3630(3) 0.41010(19) 0.38660(15) 0.0351(6) Uani 1 1 d . . . . .
O8 O 0.1521(2) 0.68205(16) 0.24120(15) 0.0280(5) Uani 1 1 d . . . . .
O9 O 0.2093(3) 0.51192(18) 0.34083(15) 0.0323(6) Uani 1 1 d . . . . .
O10 O 0.4084(3) 0.6255(2) 0.04258(17) 0.0444(7) Uani 1 1 d . . . . .
O11 O 0.3920(3) 0.65933(18) 0.16615(15) 0.0314(6) Uani 1 1 d . . . . .
N1 N 0.6809(3) 0.3469(2) 0.29829(17) 0.0242(6) Uani 1 1 d . . . . .
N2 N 0.0112(3) 0.50644(19) 0.12783(16) 0.0212(6) Uani 1 1 d . . . . .
N3 N 0.3643(3) 0.6022(2) 0.09692(18) 0.0267(6) Uani 1 1 d . . . . .
C1 C -0.0315(3) 0.3259(2) 0.1174(2) 0.0214(7) Uani 1 1 d . . . . .
O12 O 0.4016(3) 0.2125(2) 0.16250(18) 0.0480(8) Uani 1 1 d . . . . .
C2 C 0.6235(3) 0.1881(2) 0.3910(2) 0.0224(7) Uani 1 1 d . . . . .
C3 C 0.0888(3) 0.3115(2) 0.1777(2) 0.0195(6) Uani 1 1 d . . . . .
C4 C 0.6203(3) 0.1117(2) 0.4366(2) 0.0241(7) Uani 1 1 d . . . . .
H4 H 0.5338 0.0828 0.4394 0.029 Uiso 1 1 calc R . . . .
C5 C 0.7227(3) 0.5257(3) 0.3021(2) 0.0243(7) Uani 1 1 d . . . . .
C6 C 0.5786(4) 0.6429(2) 0.3458(2) 0.0245(7) Uani 1 1 d . . . . .
C7 C -0.0956(3) 0.5554(2) 0.1216(2) 0.0235(7) Uani 1 1 d . . . . .
H7 H -0.1798 0.5264 0.0812 0.028 Uiso 1 1 calc R . . . .
C8 C 0.0256(3) 0.7102(2) 0.2284(2) 0.0213(7) Uani 1 1 d . . . . .
C9 C -0.1622(4) 0.2683(3) 0.1047(2) 0.0295(8) Uani 1 1 d . . . . .
H9 H -0.2424 0.2793 0.0655 0.035 Uiso 1 1 calc R . . . .
C10 C -0.0181(4) 0.4072(2) 0.0709(2) 0.0236(7) Uani 1 1 d . . . . .
H10A H 0.0587 0.3991 0.0470 0.028 Uiso 1 1 calc R . . . .
H10B H -0.1054 0.4033 0.0268 0.028 Uiso 1 1 calc R . . . .
C11 C 0.7583(3) 0.2294(2) 0.3885(2) 0.0227(7) Uani 1 1 d . . . . .
C12 C -0.0972(3) 0.6510(2) 0.1713(2) 0.0222(7) Uani 1 1 d . . . . .
C13 C 0.5888(3) 0.5504(2) 0.30136(19) 0.0214(7) Uani 1 1 d . . . . .
C14 C 0.7772(4) 0.3048(3) 0.3411(2) 0.0257(7) Uani 1 1 d . . . . .
H14 H 0.8699 0.3246 0.3420 0.031 Uiso 1 1 calc R . . . .
O13 O 0.2874(5) 0.1068(3) 0.0496(2) 0.0778(12) Uani 1 1 d . . . . .
C15 C 0.2774(4) 0.4708(3) 0.3961(2) 0.0330(8) Uani 1 1 d . . . . .
N4 N 0.3105(4) -0.0465(3) 0.1302(2) 0.0439(9) Uani 1 1 d . . . . .
C16 C 0.6985(4) 0.7107(3) 0.3892(2) 0.0347(9) Uani 1 1 d . . . . .
H16 H 0.6905 0.7726 0.4182 0.042 Uiso 1 1 calc R . . . .
C17 C 0.0757(3) 0.2348(2) 0.2209(2) 0.0237(7) Uani 1 1 d . . . . .
C18 C 0.7434(4) 0.0801(2) 0.4767(2) 0.0244(7) Uani 1 1 d . . . . .
C19 C -0.1738(4) 0.1952(3) 0.1493(3) 0.0380(9) Uani 1 1 d . . . . .
H19 H -0.2617 0.1578 0.1405 0.046 Uiso 1 1 calc R . . . .
C20 C 0.8808(4) 0.1948(3) 0.4321(2) 0.0290(8) Uani 1 1 d . . . . .
H20 H 0.9688 0.2229 0.4307 0.035 Uiso 1 1 calc R . . . .
C21 C 0.8763(4) 0.1209(3) 0.4770(2) 0.0283(8) Uani 1 1 d . . . . .
H21 H 0.9587 0.0996 0.5062 0.034 Uiso 1 1 calc R . . . .
C22 C 0.0098(4) 0.8030(2) 0.2722(2) 0.0259(7) Uani 1 1 d . . . . .
H22 H 0.0890 0.8447 0.3089 0.031 Uiso 1 1 calc R . . . .
C23 C -0.2299(4) 0.6843(3) 0.1625(2) 0.0304(8) Uani 1 1 d . . . . .
H23 H -0.3103 0.6445 0.1251 0.037 Uiso 1 1 calc R . . . .
C24 C 0.4188(5) 0.7266(3) 0.4078(2) 0.0391(9) Uani 1 1 d . . . . .
H24A H 0.3188 0.7250 0.4003 0.059 Uiso 1 1 calc GR . . . .
H24B H 0.4604 0.7937 0.4104 0.059 Uiso 1 1 calc GR . . . .
H24C H 0.4629 0.7055 0.4580 0.059 Uiso 1 1 calc GR . . . .
C25 C 0.8434(4) 0.5937(3) 0.3464(2) 0.0321(8) Uani 1 1 d . . . . .
H25 H 0.9329 0.5772 0.3474 0.039 Uiso 1 1 calc R . . . .
C26 C 0.7312(4) 0.4228(3) 0.2573(2) 0.0278(8) Uani 1 1 d . . . . .
H26A H 0.6725 0.4120 0.2006 0.033 Uiso 1 1 calc R . . . .
H26B H 0.8284 0.4172 0.2581 0.033 Uiso 1 1 calc R . . . .
C27 C -0.0541(4) 0.1773(3) 0.2076(2) 0.0318(8) Uani 1 1 d . . . . .
H27 H -0.0613 0.1272 0.2372 0.038 Uiso 1 1 calc R . . . .
C28 C -0.1227(4) 0.8318(3) 0.2607(2) 0.0287(8) Uani 1 1 d . . . . .
C29 C 0.8309(4) 0.6854(3) 0.3891(2) 0.0375(9) Uani 1 1 d . . . . .
H29 H 0.9121 0.7308 0.4180 0.045 Uiso 1 1 calc R . . . .
C30 C 0.2578(6) 0.4961(4) 0.4797(3) 0.0586(14) Uani 1 1 d . . . . .
H30A H 0.2400 0.4353 0.4984 0.088 Uiso 1 1 calc GR . . . .
H30B H 0.1785 0.5327 0.4767 0.088 Uiso 1 1 calc GR . . . .
H30C H 0.3422 0.5364 0.5174 0.088 Uiso 1 1 calc GR . . . .
C31 C 0.3500(5) 0.1940(3) 0.0883(3) 0.0448(11) Uani 1 1 d . . . . .
C32 C -0.2450(4) 0.7734(3) 0.2070(2) 0.0334(9) Uani 1 1 d . . . . .
H32 H -0.3339 0.7938 0.2014 0.040 Uiso 1 1 calc R . . . .
C33 C 0.4137(5) -0.0985(3) 0.0952(3) 0.0483(11) Uani 1 1 d . . . . .
H33A H 0.3740 -0.1170 0.0360 0.058 Uiso 1 1 calc R . . . .
H33B H 0.4285 -0.1596 0.1161 0.058 Uiso 1 1 calc R . . . .
C34 C 0.1911(5) 0.1773(4) 0.3435(3) 0.0563(13) Uani 1 1 d . . . . .
H34A H 0.2847 0.1746 0.3782 0.084 Uiso 1 1 calc GR . . . .
H34B H 0.1399 0.1106 0.3237 0.084 Uiso 1 1 calc GR . . . .
H34C H 0.1417 0.2175 0.3742 0.084 Uiso 1 1 calc GR . . . .
C35 C 0.3610(6) -0.0135(3) 0.2204(3) 0.0597(14) Uani 1 1 d . . . . .
H35A H 0.2884 0.0192 0.2377 0.072 Uiso 1 1 calc R . . . .
H35B H 0.4451 0.0359 0.2351 0.072 Uiso 1 1 calc R . . . .
C36 C 0.3963(6) -0.0975(3) 0.2673(3) 0.0568(13) Uani 1 1 d . . . . .
H36A H 0.3176 -0.1507 0.2485 0.085 Uiso 1 1 calc GR . . . .
H36B H 0.4143 -0.0720 0.3248 0.085 Uiso 1 1 calc GR . . . .
H36C H 0.4792 -0.1226 0.2582 0.085 Uiso 1 1 calc GR . . . .
C37 C 0.1665(6) -0.1098(4) 0.0967(4) 0.0672(15) Uani 1 1 d . . . . .
H37A H 0.1473 -0.1341 0.0383 0.081 Uiso 1 1 calc R . . . .
H37B H 0.1683 -0.1678 0.1224 0.081 Uiso 1 1 calc R . . . .
C38 C 0.5551(6) -0.0323(4) 0.1169(4) 0.0690(15) Uani 1 1 d . . . . .
H38A H 0.6130 -0.0632 0.0866 0.104 Uiso 1 1 calc GR . . . .
H38B H 0.6025 -0.0237 0.1745 0.104 Uiso 1 1 calc GR . . . .
H38C H 0.5396 0.0320 0.1032 0.104 Uiso 1 1 calc GR . . . .
C39 C 0.3475(8) 0.2728(4) 0.0388(4) 0.084(2) Uani 1 1 d . . . . .
H39A H 0.2585 0.2986 0.0302 0.125 Uiso 1 1 calc GR . . . .
H39B H 0.3585 0.2445 -0.0131 0.125 Uiso 1 1 calc GR . . . .
H39C H 0.4239 0.3262 0.0674 0.125 Uiso 1 1 calc GR . . . .
C40 C 0.0494(7) -0.0552(5) 0.1103(5) 0.090(2) Uani 1 1 d . . . . .
H40A H -0.0403 -0.0955 0.0804 0.135 Uiso 1 1 calc GR . . . .
H40B H 0.0546 0.0069 0.0915 0.135 Uiso 1 1 calc GR . . . .
H40C H 0.0582 -0.0415 0.1677 0.135 Uiso 1 1 calc GR . . . .
H4A H 0.313(5) 0.017(4) 0.113(3) 0.072(16) Uiso 1 1 d . . . . .
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
O1 Dy1 O2 82.35(8) . . ?
O1 Dy1 O3 69.78(7) . . ?
O1 Dy1 O6 66.26(7) . . ?
O1 Dy1 O11 80.62(8) . . ?
O1 Dy1 N2 142.00(8) . . ?
O2 Dy1 O6 118.80(8) . . ?
O2 Dy1 O11 51.49(8) . . ?
O3 Dy1 O2 81.72(8) . . ?
O3 Dy1 O6 127.14(8) . . ?
O3 Dy1 O11 127.59(8) . . ?
O3 Dy1 N2 76.83(8) . . ?
O8 Dy1 O1 143.28(8) . . ?
O8 Dy1 O2 109.44(9) . . ?
O8 Dy1 O3 144.63(8) . . ?
O8 Dy1 O6 77.94(8) . . ?
O8 Dy1 O9 87.76(9) . . ?
O8 Dy1 O11 80.72(9) . . ?
O8 Dy1 N2 74.10(8) . . ?
O9 Dy1 O1 90.45(8) . . ?
O9 Dy1 O2 159.48(8) . . ?
O9 Dy1 O3 77.76(8) . . ?
O9 Dy1 O6 74.77(9) . . ?
O9 Dy1 O11 146.16(9) . . ?
O9 Dy1 N2 99.88(9) . . ?
O11 Dy1 O6 71.75(8) . . ?
N2 Dy1 O2 75.27(8) . . ?
N2 Dy1 O6 151.74(8) . . ?
N2 Dy1 O11 107.22(9) . . ?
O1 Dy2 O3 71.11(7) . . ?
O1 Dy2 O5 133.45(7) . . ?
O1 Dy2 O7 81.12(8) . . ?
O1 Dy2 N1 76.52(8) . . ?
O3 Dy2 O5 67.08(7) . . ?
O3 Dy2 N1 139.90(8) . . ?
O4 Dy2 O1 141.48(8) . . ?
O4 Dy2 O3 144.84(8) . . ?
O4 Dy2 O5 77.79(8) . . ?
O4 Dy2 O7 87.51(9) . . ?
O4 Dy2 N1 73.97(9) . . ?
O4 Dy2 O12 91.56(10) . . ?
O7 Dy2 O3 85.92(8) . . ?
O7 Dy2 O5 76.49(9) . . ?
O7 Dy2 N1 112.00(9) . . ?
N1 Dy2 O5 149.92(8) . . ?
O12 Dy2 O1 111.09(10) . . ?
O12 Dy2 O3 83.30(9) . . ?
O12 Dy2 O5 83.66(10) . . ?
O12 Dy2 O7 159.87(11) . . ?
O12 Dy2 N1 86.95(10) . . ?
Dy2 O1 Dy1 106.96(8) . . ?
C13 O1 Dy1 118.89(18) . . ?
C13 O1 Dy2 125.35(18) . . ?
N3 O2 Dy1 96.49(18) . . ?
Dy2 O3 Dy1 104.55(8) . . ?
C3 O3 Dy1 125.56(18) . . ?
C3 O3 Dy2 120.60(18) . . ?
C2 O4 Dy2 143.1(2) . . ?
C17 O5 Dy2 116.28(18) . . ?
C17 O5 C34 117.2(3) . . ?
C34 O5 Dy2 122.8(2) . . ?
C6 O6 Dy1 114.81(18) . . ?
C6 O6 C24 117.4(3) . . ?
C24 O6 Dy1 126.9(2) . . ?
C15 O7 Dy2 135.8(2) . . ?
C8 O8 Dy1 140.6(2) . . ?
C15 O9 Dy1 131.9(2) . . ?
N3 O11 Dy1 96.01(18) . . ?
C14 N1 Dy2 129.7(2) . . ?
C14 N1 C26 115.7(3) . . ?
C26 N1 Dy2 114.6(2) . . ?
C7 N2 Dy1 130.0(2) . . ?
C7 N2 C10 115.2(3) . . ?
C10 N2 Dy1 114.69(19) . . ?
O10 N3 O2 121.8(3) . . ?
O10 N3 O11 122.1(3) . . ?
O11 N3 O2 116.0(3) . . ?
C3 C1 C10 118.7(3) . . ?
C9 C1 C3 119.9(3) . . ?
C9 C1 C10 121.3(3) . . ?
C31 O12 Dy2 143.5(3) . . ?
O4 C2 C4 120.3(3) . . ?
O4 C2 C11 122.3(3) . . ?
C4 C2 C11 117.4(3) . . ?
O3 C3 C1 121.7(3) . . ?
O3 C3 C17 119.8(3) . . ?
C1 C3 C17 118.4(3) . . ?
C18 C4 C2 120.5(3) . . ?
C13 C5 C26 118.1(3) . . ?
C25 C5 C13 119.7(3) . . ?
C25 C5 C26 122.2(3) . . ?
O6 C6 C13 114.3(3) . . ?
C16 C6 O6 124.6(3) . . ?
C16 C6 C13 121.1(3) . . ?
N2 C7 C12 126.4(3) . . ?
O8 C8 C12 122.4(3) . . ?
O8 C8 C22 119.6(3) . . ?
C22 C8 C12 117.9(3) . . ?
C19 C9 C1 120.8(3) . . ?
N2 C10 C1 109.1(3) . . ?
C2 C11 C14 123.5(3) . . ?
C20 C11 C2 119.2(3) . . ?
C20 C11 C14 117.3(3) . . ?
C8 C12 C7 123.6(3) . . ?
C23 C12 C7 116.9(3) . . ?
C23 C12 C8 119.5(3) . . ?
O1 C13 C5 121.0(3) . . ?
O1 C13 C6 119.8(3) . . ?
C6 C13 C5 119.2(3) . . ?
N1 C14 C11 127.3(3) . . ?
O7 C15 C30 117.5(3) . . ?
O9 C15 O7 124.1(3) . . ?
O9 C15 C30 118.3(3) . . ?
C33 N4 C37 109.0(3) . . ?
C35 N4 C33 114.1(4) . . ?
C35 N4 C37 114.9(4) . . ?
C6 C16 C29 119.2(4) . . ?
O5 C17 C3 114.9(3) . . ?
C27 C17 O5 123.7(3) . . ?
C27 C17 C3 121.4(3) . . ?
C4 C18 Cl1 118.6(3) . . ?
C4 C18 C21 123.2(3) . . ?
C21 C18 Cl1 118.2(3) . . ?
C9 C19 C27 120.2(3) . . ?
C21 C20 C11 122.8(3) . . ?
C20 C21 C18 116.9(3) . . ?
C28 C22 C8 119.9(3) . . ?
C32 C23 C12 122.3(3) . . ?
C29 C25 C5 120.2(3) . . ?
N1 C26 C5 108.7(3) . . ?
C17 C27 C19 119.2(3) . . ?
C22 C28 Cl2 118.3(3) . . ?
C22 C28 C32 123.0(3) . . ?
C32 C28 Cl2 118.6(3) . . ?
C25 C29 C16 120.7(3) . . ?
O12 C31 O13 121.5(4) . . ?
O12 C31 C39 122.0(4) . . ?
O13 C31 C39 116.4(4) . . ?
C23 C32 C28 117.3(3) . . ?
N4 C33 C38 111.7(4) . . ?
N4 C35 C36 114.6(4) . . ?
C40 C37 N4 113.4(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 2.327(2) . ?
Dy1 O2 2.466(2) . ?
Dy1 O3 2.370(2) . ?
Dy1 O6 2.499(2) . ?
Dy1 O8 2.185(2) . ?
Dy1 O9 2.310(2) . ?
Dy1 O11 2.483(2) . ?
Dy1 N2 2.454(3) . ?
Dy2 O1 2.295(2) . ?
Dy2 O3 2.326(2) . ?
Dy2 O4 2.197(2) . ?
Dy2 O5 2.484(2) . ?
Dy2 O7 2.311(2) . ?
Dy2 N1 2.479(3) . ?
Dy2 O12 2.239(3) . ?
Cl1 C18 1.748(3) . ?
Cl2 C28 1.754(3) . ?
O1 C13 1.359(4) . ?
O2 N3 1.273(4) . ?
O3 C3 1.346(4) . ?
O4 C2 1.298(4) . ?
O5 C17 1.388(4) . ?
O5 C34 1.431(4) . ?
O6 C6 1.390(4) . ?
O6 C24 1.438(4) . ?
O7 C15 1.261(4) . ?
O8 C8 1.313(4) . ?
O9 C15 1.253(4) . ?
O10 N3 1.220(4) . ?
O11 N3 1.261(4) . ?
N1 C14 1.278(4) . ?
N1 C26 1.478(4) . ?
N2 C7 1.289(4) . ?
N2 C10 1.489(4) . ?
C1 C3 1.399(4) . ?
C1 C9 1.396(5) . ?
C1 C10 1.495(5) . ?
O12 C31 1.216(5) . ?
C2 C4 1.415(5) . ?
C2 C11 1.420(4) . ?
C3 C17 1.403(5) . ?
C4 C18 1.367(5) . ?
C5 C13 1.395(5) . ?
C5 C25 1.390(5) . ?
C5 C26 1.509(5) . ?
C6 C13 1.392(5) . ?
C6 C16 1.381(5) . ?
C7 C12 1.443(5) . ?
C8 C12 1.412(5) . ?
C8 C22 1.410(5) . ?
C9 C19 1.376(5) . ?
C11 C14 1.450(5) . ?
C11 C20 1.403(5) . ?
C12 C23 1.404(5) . ?
O13 C31 1.274(5) . ?
C15 C30 1.505(5) . ?
N4 C33 1.502(6) . ?
N4 C35 1.478(6) . ?
N4 C37 1.506(6) . ?
C16 C29 1.386(6) . ?
C17 C27 1.386(5) . ?
C18 C21 1.383(5) . ?
C19 C27 1.395(5) . ?
C20 C21 1.379(5) . ?
C22 C28 1.373(5) . ?
C23 C32 1.373(5) . ?
C25 C29 1.379(6) . ?
C28 C32 1.385(5) . ?
C31 C39 1.482(6) . ?
C33 C38 1.513(7) . ?
C35 C36 1.522(7) . ?
C37 C40 1.485(8) . ?
