#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:20:22 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193845 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/19/7041963.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_7041963
loop_
_publ_author_name
'Akhtar, Muhammad Nadeem'
'Liao, Xiao-Fen'
'Chen, Yan-Cong'
'Liu, Jun-Liang'
'Tong, Ming-Liang'
_publ_section_title
;
 Di- and octa-nuclear dysprosium clusters derived from pyridyl-triazole
 based ligand: {Dy2} showing single molecule magnetic behaviour.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2981
_journal_page_last               2987
_journal_paper_doi               10.1039/c7dt00047b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         '2(C17 H19 Cl Dy N8 O2), 2(Cl)'
_chemical_formula_sum            'C34 H38 Cl4 Dy2 N16 O4'
_chemical_formula_weight         1201.60
_chemical_name_systematic        '{Dy2} (1)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2017-01-30
_audit_creation_method
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_audit_update_record
;
2017-01-30 deposited with the CCDC.
2017-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                97.652(2)
_cell_angle_beta                 91.646(2)
_cell_angle_gamma                102.765(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5469(6)
_cell_length_b                   11.1905(7)
_cell_length_c                   18.2196(10)
_cell_measurement_reflns_used    9533
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.487
_cell_measurement_theta_min      2.723
_cell_volume                     2074.8(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX3 v2016.1-0'
_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-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      120.18
_diffrn_detector                 'Bruker PHOTON 100 CMOS detector'
_diffrn_detector_type            'CMOS active pixel sensor detector'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            42514
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.512
_diffrn_reflns_theta_min         2.594
_diffrn_source                   'Mo I\mS microfocus source'
_exptl_absorpt_coefficient_mu    3.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_description       block
_exptl_crystal_F_000             1172
_exptl_crystal_preparation       ', Magnetic properties'
_exptl_crystal_size_max          0.074
_exptl_crystal_size_mid          0.071
_exptl_crystal_size_min          0.042
_exptl_transmission_factor_max   0.0180
_exptl_transmission_factor_min   0.0041
_refine_diff_density_max         3.277
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         9429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0881P)²+8.0505P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1329
_refine_ls_wR_factor_ref         0.1356
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8665
_reflns_number_total             9429
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00047b2.cif
_cod_data_source_block           Dy2_1
_cod_depositor_comments
'Adding full bibliography for 7041963--7041964.cif.'
_cod_database_code               7041963
_shelx_shelxl_version_number     2016/4
_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   0.854
_shelx_estimated_absorpt_t_min   0.762
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 O1(H1), O2(H2), N4(H4), N6(H6), O3(H3A), O4(H4B), N12(H12), N14(H14A)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C25(H25A,H25B), C26(H26A,H26B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2A), C3(H3), C4(H4A), C13(H13), C14(H14), C15(H15), C16(H16),
 C18(H18), C19(H19), C20(H20), C21(H21), C30(H30), C31(H31), C32(H32), C33(H33)
2.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C34(H34A,H34B,H34C)
;
_olex2_date_sample_data_collection 2016-10-01
_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
Dy1 Dy 1.02208(2) 0.62444(2) 0.58130(2) 0.02784(9) Uani 1 1 d .
Cl1 Cl 1.03680(13) 0.81667(13) 0.69604(7) 0.0343(3) Uani 1 1 d .
O1 O 0.9053(5) 0.4272(4) 0.5333(2) 0.0403(11) Uani 1 1 d .
H1 H 0.845067 0.381763 0.553790 0.048 Uiso 1 1 d R
O2 O 1.2246(4) 0.7761(4) 0.5728(2) 0.0308(8) Uani 1 1 d .
H2 H 1.257095 0.758216 0.531754 0.037 Uiso 1 1 d R
N1 N 0.9393(4) 0.7676(4) 0.5009(3) 0.0305(9) Uani 1 1 d .
N2 N 0.7918(5) 0.6479(4) 0.6036(3) 0.0319(9) Uani 1 1 d .
N3 N 0.6616(5) 0.7850(5) 0.6088(3) 0.0361(10) Uani 1 1 d .
N4 N 0.6289(5) 0.7026(5) 0.6579(3) 0.0350(10) Uani 1 1 d .
H4 H 0.563708 0.703820 0.688515 0.042 Uiso 1 1 d R
N5 N 0.9878(4) 0.5137(4) 0.6968(3) 0.0311(9) Uani 1 1 d .
N6 N 0.9397(5) 0.4086(5) 0.7888(3) 0.0351(10) Uani 1 1 d .
H6 H 0.895741 0.378271 0.826374 0.042 Uiso 1 1 d R
N7 N 1.0487(5) 0.3752(5) 0.7636(3) 0.0367(10) Uani 1 1 d .
N8 N 1.2051(4) 0.5177(4) 0.6125(3) 0.0309(9) Uani 1 1 d .
C1 C 1.3078(6) 0.5187(5) 0.5709(3) 0.0331(11) Uani 1 1 d .
H1A H 1.322724 0.574356 0.535325 0.040 Uiso 1 1 calc R
C2 C 1.3930(6) 0.4425(6) 0.5774(3) 0.0351(12) Uani 1 1 d .
H2A H 1.464391 0.445602 0.546504 0.042 Uiso 1 1 calc R
C3 C 1.3731(6) 0.3613(6) 0.6295(3) 0.0353(12) Uani 1 1 d .
H3 H 1.430232 0.307727 0.634785 0.042 Uiso 1 1 calc R
C4 C 1.2688(6) 0.3601(6) 0.6735(3) 0.0342(12) Uani 1 1 d .
H4A H 1.253034 0.306354 0.710063 0.041 Uiso 1 1 calc R
C5 C 1.1873(5) 0.4389(5) 0.6633(3) 0.0313(11) Uani 1 1 d .
C6 C 1.0742(5) 0.4412(5) 0.7081(3) 0.0311(11) Uani 1 1 d .
C7 C 0.9043(6) 0.4912(5) 0.7499(3) 0.0327(11) Uani 1 1 d .
C8 C 0.7897(6) 0.5441(5) 0.7670(3) 0.0334(11) Uani 1 1 d .
H8A H 0.820075 0.634475 0.782339 0.040 Uiso 1 1 calc R
H8B H 0.748232 0.508256 0.809650 0.040 Uiso 1 1 calc R
C9 C 0.6861(5) 0.5212(5) 0.7020(3) 0.0325(11) Uani 1 1 d .
H9A H 0.688224 0.442428 0.670592 0.039 Uiso 1 1 calc R
H9B H 0.598953 0.511796 0.722280 0.039 Uiso 1 1 calc R
C10 C 0.7047(5) 0.6220(5) 0.6547(3) 0.0326(11) Uani 1 1 d .
C11 C 0.7593(5) 0.7472(5) 0.5774(3) 0.0312(11) Uani 1 1 d .
C12 C 0.8304(6) 0.8074(5) 0.5187(3) 0.0318(11) Uani 1 1 d .
C13 C 0.7857(6) 0.8952(6) 0.4844(3) 0.0358(12) Uani 1 1 d .
H13 H 0.708910 0.920692 0.499023 0.043 Uiso 1 1 calc R
C14 C 0.8565(6) 0.9447(5) 0.4281(3) 0.0360(12) Uani 1 1 d .
H14 H 0.829789 1.006182 0.404167 0.043 Uiso 1 1 calc R
C15 C 0.9665(6) 0.9036(6) 0.4073(3) 0.0369(12) Uani 1 1 d .
H15 H 1.015609 0.935279 0.368469 0.044 Uiso 1 1 calc R
C16 C 1.0040(6) 0.8135(5) 0.4451(3) 0.0334(11) Uani 1 1 d .
H16 H 1.078549 0.784189 0.430145 0.040 Uiso 1 1 calc R
C17 C 1.3316(6) 0.8294(6) 0.6271(4) 0.0398(13) Uani 1 1 d .
H17A H 1.332281 0.916703 0.643003 0.060 Uiso 1 1 calc GR
H17B H 1.413857 0.822891 0.605023 0.060 Uiso 1 1 calc GR
H17C H 1.321087 0.784642 0.670056 0.060 Uiso 1 1 calc GR
Dy2 Dy 0.36412(2) 0.87777(2) 0.02480(2) 0.02669(9) Uani 1 1 d .
Cl2 Cl 0.17749(13) 0.68928(13) 0.07012(8) 0.0357(3) Uani 1 1 d .
O3 O 0.4907(4) 1.0681(4) 0.0606(2) 0.0321(8) Uani 1 1 d .
H3A H 0.486209 1.113121 0.101391 0.038 Uiso 1 1 d R
O4 O 0.2803(4) 0.7296(4) -0.0846(2) 0.0306(8) Uani 1 1 d .
H4B H 0.330217 0.743169 -0.119854 0.037 Uiso 1 1 d R
N9 N 0.5224(4) 0.7307(4) 0.0334(3) 0.0297(9) Uani 1 1 d .
N10 N 0.4340(5) 0.8544(4) 0.1558(3) 0.0312(9) Uani 1 1 d .
N11 N 0.4847(5) 0.7204(5) 0.2285(3) 0.0379(11) Uani 1 1 d .
N12 N 0.4285(5) 0.8054(5) 0.2674(3) 0.0381(11) Uani 1 1 d .
H12 H 0.413795 0.806453 0.315893 0.046 Uiso 1 1 d R
N13 N 0.2110(5) 0.9964(4) 0.0928(3) 0.0328(9) Uani 1 1 d .
N14 N 0.1030(5) 1.1086(5) 0.1607(3) 0.0345(10) Uani 1 1 d .
H14A H 0.070540 1.142915 0.201270 0.041 Uiso 1 1 d R
N15 N 0.0929(5) 1.1424(5) 0.0928(3) 0.0349(10) Uani 1 1 d .
N16 N 0.2414(4) 0.9915(4) -0.0581(3) 0.0301(9) Uani 1 1 d .
C18 C 0.5788(5) 0.6830(5) -0.0249(3) 0.0323(11) Uani 1 1 d .
H18 H 0.567150 0.709759 -0.071502 0.039 Uiso 1 1 calc R
C19 C 0.6540(6) 0.5954(6) -0.0203(3) 0.0357(12) Uani 1 1 d .
H19 H 0.693340 0.564494 -0.062877 0.043 Uiso 1 1 calc R
C20 C 0.6704(6) 0.5544(5) 0.0468(4) 0.0362(12) Uani 1 1 d .
H20 H 0.720808 0.494782 0.051051 0.043 Uiso 1 1 calc R
C21 C 0.6118(6) 0.6021(5) 0.1081(3) 0.0336(11) Uani 1 1 d .
H21 H 0.619693 0.574756 0.154804 0.040 Uiso 1 1 calc R
C22 C 0.5415(5) 0.6907(5) 0.0987(3) 0.0294(10) Uani 1 1 d .
C23 C 0.4849(5) 0.7540(5) 0.1617(3) 0.0302(10) Uani 1 1 d .
C24 C 0.4009(5) 0.8853(5) 0.2245(3) 0.0327(11) Uani 1 1 d .
C25 C 0.3408(6) 0.9893(5) 0.2541(3) 0.0357(12) Uani 1 1 d .
H25A H 0.389166 1.066298 0.237395 0.043 Uiso 1 1 calc R
H25B H 0.349786 1.000995 0.308951 0.043 Uiso 1 1 calc R
C26 C 0.1944(6) 0.9679(6) 0.2290(3) 0.0375(12) Uani 1 1 d .
H26A H 0.156100 0.877715 0.219912 0.045 Uiso 1 1 calc R
H26B H 0.148721 1.004460 0.269882 0.045 Uiso 1 1 calc R
C27 C 0.1712(5) 1.0220(5) 0.1609(3) 0.0343(11) Uani 1 1 d .
C28 C 0.1590(5) 1.0725(5) 0.0535(3) 0.0306(11) Uani 1 1 d .
C29 C 0.1745(5) 1.0720(5) -0.0266(3) 0.0292(10) Uani 1 1 d .
C30 C 0.1207(6) 1.1499(6) -0.0658(3) 0.0346(12) Uani 1 1 d .
H30 H 0.072763 1.204590 -0.041618 0.041 Uiso 1 1 calc R
C31 C 0.1396(6) 1.1448(5) -0.1413(4) 0.0368(12) Uani 1 1 d .
H31 H 0.106289 1.197493 -0.169785 0.044 Uiso 1 1 calc R
C32 C 0.2082(6) 1.0613(6) -0.1743(3) 0.0349(12) Uani 1 1 d .
H32 H 0.221981 1.055604 -0.225842 0.042 Uiso 1 1 calc R
C33 C 0.2562(5) 0.9866(5) -0.1309(3) 0.0307(10) Uani 1 1 d .
H33 H 0.301844 0.928990 -0.154117 0.037 Uiso 1 1 calc R
C34 C 0.1495(6) 0.6780(6) -0.1151(3) 0.0378(12) Uani 1 1 d .
H34A H 0.145607 0.682003 -0.168506 0.057 Uiso 1 1 calc GR
H34B H 0.090564 0.725201 -0.090860 0.057 Uiso 1 1 calc GR
H34C H 0.123187 0.591431 -0.106775 0.057 Uiso 1 1 calc GR
Cl3 Cl 0.65519(15) 0.22953(15) 0.57498(8) 0.0421(3) Uani 1 1 d .
Cl4 Cl 0.54220(15) 1.28666(16) 0.20919(8) 0.0421(3) Uani 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
Cl1 Dy1 Dy1 174.78(3) . 2_766
O1 Dy1 Dy1 35.77(10) . 2_766
O1 Dy1 Dy1 36.26(14) 2_766 2_766
O1 Dy1 Cl1 143.75(13) 2_766 .
O1 Dy1 Cl1 143.57(11) . .
O1 Dy1 O1 72.0(2) 2_766 .
O1 Dy1 O2 73.86(16) 2_766 .
O1 Dy1 O2 143.34(14) . .
O1 Dy1 N1 76.34(13) 2_766 .
O1 Dy1 N1 104.41(14) . .
O1 Dy1 N2 79.75(15) . .
O1 Dy1 N2 124.17(15) 2_766 .
O1 Dy1 N5 76.77(14) . .
O1 Dy1 N5 133.24(14) 2_766 .
O1 Dy1 N8 85.44(14) . .
O1 Dy1 N8 77.80(14) 2_766 .
O2 Dy1 Dy1 109.14(9) . 2_766
O2 Dy1 Cl1 72.50(9) . .
O2 Dy1 N1 79.91(14) . .
O2 Dy1 N2 131.95(14) . .
O2 Dy1 N5 119.68(14) . .
O2 Dy1 N8 74.58(14) . .
N1 Dy1 Dy1 90.56(10) . 2_766
N1 Dy1 Cl1 84.84(11) . .
N2 Dy1 Dy1 103.56(11) . 2_766
N2 Dy1 Cl1 72.28(11) . .
N2 Dy1 N1 65.35(15) . .
N2 Dy1 N5 82.01(15) . .
N2 Dy1 N8 146.79(15) . .
N5 Dy1 Dy1 106.18(11) . 2_766
N5 Dy1 Cl1 76.65(11) . .
N5 Dy1 N1 146.18(15) . .
N8 Dy1 Dy1 79.67(11) . 2_766
N8 Dy1 Cl1 105.54(11) . .
N8 Dy1 N1 147.73(15) . .
N8 Dy1 N5 65.66(15) . .
Dy1 O1 Dy1 108.0(2) 2_766 .
Dy1 O1 H1 125.3 2_766 .
Dy1 O1 H1 126.8 . .
Dy1 O2 H2 109.3 . .
C17 O2 Dy1 130.7(3) . .
C17 O2 H2 107.4 . .
C12 N1 Dy1 119.4(4) . .
C16 N1 Dy1 123.4(4) . .
C16 N1 C12 117.0(5) . .
C10 N2 Dy1 137.0(4) . .
C10 N2 C11 102.8(5) . .
C11 N2 Dy1 115.1(3) . .
C11 N3 N4 101.3(5) . .
N3 N4 H4 123.3 . .
C10 N4 N3 112.0(5) . .
C10 N4 H4 124.8 . .
C6 N5 Dy1 115.1(3) . .
C7 N5 Dy1 141.6(4) . .
C7 N5 C6 103.0(5) . .
N7 N6 H6 124.2 . .
C7 N6 H6 124.1 . .
C7 N6 N7 111.7(5) . .
C6 N7 N6 101.6(5) . .
C1 N8 Dy1 122.1(4) . .
C1 N8 C5 117.2(5) . .
C5 N8 Dy1 119.5(4) . .
N8 C1 H1A 118.5 . .
N8 C1 C2 122.9(5) . .
C2 C1 H1A 118.5 . .
C1 C2 H2A 120.4 . .
C1 C2 C3 119.3(5) . .
C3 C2 H2A 120.4 . .
C2 C3 H3 120.7 . .
C4 C3 C2 118.6(5) . .
C4 C3 H3 120.7 . .
C3 C4 H4A 120.7 . .
C3 C4 C5 118.7(5) . .
C5 C4 H4A 120.7 . .
N8 C5 C4 123.4(5) . .
N8 C5 C6 115.5(5) . .
C4 C5 C6 121.1(5) . .
N5 C6 C5 122.5(5) . .
N7 C6 N5 114.8(5) . .
N7 C6 C5 122.7(5) . .
N5 C7 N6 108.9(5) . .
N5 C7 C8 128.6(5) . .
N6 C7 C8 122.5(5) . .
C7 C8 H8A 108.6 . .
C7 C8 H8B 108.6 . .
C7 C8 C9 114.4(5) . .
H8A C8 H8B 107.6 . .
C9 C8 H8A 108.6 . .
C9 C8 H8B 108.6 . .
C8 C9 H9A 108.8 . .
C8 C9 H9B 108.8 . .
H9A C9 H9B 107.7 . .
C10 C9 C8 113.8(5) . .
C10 C9 H9A 108.8 . .
C10 C9 H9B 108.8 . .
N2 C10 C9 129.3(5) . .
N4 C10 N2 108.8(5) . .
N4 C10 C9 121.9(5) . .
N2 C11 C12 121.9(5) . .
N3 C11 N2 115.2(5) . .
N3 C11 C12 122.9(5) . .
N1 C12 C11 114.2(5) . .
N1 C12 C13 124.0(5) . .
C13 C12 C11 121.7(5) . .
C12 C13 H13 121.0 . .
C14 C13 C12 118.0(6) . .
C14 C13 H13 121.0 . .
C13 C14 H14 120.3 . .
C15 C14 C13 119.3(5) . .
C15 C14 H14 120.3 . .
C14 C15 H15 120.7 . .
C14 C15 C16 118.6(5) . .
C16 C15 H15 120.7 . .
N1 C16 C15 122.9(5) . .
N1 C16 H16 118.5 . .
C15 C16 H16 118.5 . .
O2 C17 H17A 109.5 . .
O2 C17 H17B 109.5 . .
O2 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Cl2 Dy2 Dy2 174.83(3) . 2_675
O3 Dy2 Dy2 34.30(11) 2_675 2_675
O3 Dy2 Dy2 34.47(10) . 2_675
O3 Dy2 Cl2 144.27(11) . .
O3 Dy2 Cl2 146.30(11) 2_675 .
O3 Dy2 O3 68.77(18) . 2_675
O3 Dy2 O4 76.42(14) 2_675 .
O3 Dy2 O4 142.06(14) . .
O3 Dy2 N9 103.96(14) . .
O3 Dy2 N9 76.63(14) 2_675 .
O3 Dy2 N10 80.42(14) . .
O3 Dy2 N10 122.32(15) 2_675 .
O3 Dy2 N13 130.89(15) 2_675 .
O3 Dy2 N13 76.29(15) . .
O3 Dy2 N16 83.78(14) . .
O3 Dy2 N16 77.42(14) 2_675 .
O4 Dy2 Dy2 109.53(9) . 2_675
O4 Dy2 Cl2 72.83(9) . .
O4 Dy2 N9 81.56(14) . .
O4 Dy2 N10 132.94(14) . .
O4 Dy2 N13 119.08(14) . .
O4 Dy2 N16 74.17(14) . .
N9 Dy2 Dy2 90.31(10) . 2_675
N9 Dy2 Cl2 85.47(10) . .
N10 Dy2 Dy2 102.94(10) . 2_675
N10 Dy2 Cl2 72.55(11) . .
N10 Dy2 N9 64.88(15) . .
N10 Dy2 N13 82.77(15) . .
N10 Dy2 N16 146.86(15) . .
N13 Dy2 Dy2 104.73(11) . 2_675
N13 Dy2 Cl2 77.49(11) . .
N13 Dy2 N9 146.80(15) . .
N13 Dy2 N16 65.21(15) . .
N16 Dy2 Dy2 78.60(10) . 2_675
N16 Dy2 Cl2 106.56(10) . .
N16 Dy2 N9 147.86(15) . .
Dy2 O3 Dy2 111.22(18) . 2_675
Dy2 O3 H3A 124.1 2_675 .
Dy2 O3 H3A 124.6 . .
Dy2 O4 H4B 109.8 . .
C34 O4 Dy2 131.3(3) . .
C34 O4 H4B 109.1 . .
C18 N9 Dy2 123.8(4) . .
C18 N9 C22 116.9(5) . .
C22 N9 Dy2 119.1(4) . .
C23 N10 Dy2 115.3(3) . .
C24 N10 Dy2 137.5(4) . .
C24 N10 C23 102.9(4) . .
C23 N11 N12 101.6(5) . .
N11 N12 H12 123.1 . .
C24 N12 N11 111.1(5) . .
C24 N12 H12 125.8 . .
C27 N13 Dy2 140.3(4) . .
C27 N13 C28 102.7(5) . .
C28 N13 Dy2 116.5(3) . .
N15 N14 H14A 124.1 . .
C27 N14 H14A 124.0 . .
C27 N14 N15 111.8(5) . .
C28 N15 N14 102.0(5) . .
C29 N16 Dy2 119.7(4) . .
C33 N16 Dy2 122.2(4) . .
C33 N16 C29 117.4(5) . .
N9 C18 H18 118.6 . .
N9 C18 C19 122.9(5) . .
C19 C18 H18 118.6 . .
C18 C19 H19 120.4 . .
C20 C19 C18 119.2(5) . .
C20 C19 H19 120.4 . .
C19 C20 H20 120.6 . .
C19 C20 C21 118.9(5) . .
C21 C20 H20 120.6 . .
C20 C21 H21 121.0 . .
C22 C21 C20 117.9(5) . .
C22 C21 H21 121.0 . .
N9 C22 C21 124.3(5) . .
N9 C22 C23 113.9(5) . .
C21 C22 C23 121.8(5) . .
N10 C23 C22 122.4(5) . .
N11 C23 N10 115.1(5) . .
N11 C23 C22 122.5(5) . .
N10 C24 N12 109.3(5) . .
N10 C24 C25 128.8(5) . .
N12 C24 C25 121.8(5) . .
C24 C25 H25A 108.9 . .
C24 C25 H25B 108.9 . .
C24 C25 C26 113.4(5) . .
H25A C25 H25B 107.7 . .
C26 C25 H25A 108.9 . .
C26 C25 H25B 108.9 . .
C25 C26 H26A 108.8 . .
C25 C26 H26B 108.8 . .
H26A C26 H26B 107.7 . .
C27 C26 C25 113.7(5) . .
C27 C26 H26A 108.8 . .
C27 C26 H26B 108.8 . .
N13 C27 C26 129.0(5) . .
N14 C27 N13 108.9(5) . .
N14 C27 C26 122.1(5) . .
N13 C28 C29 121.8(5) . .
N15 C28 N13 114.6(5) . .
N15 C28 C29 123.6(5) . .
N16 C29 C28 115.4(5) . .
N16 C29 C30 123.6(5) . .
C30 C29 C28 121.1(5) . .
C29 C30 H30 121.0 . .
C31 C30 C29 117.9(5) . .
C31 C30 H30 121.0 . .
C30 C31 H31 120.6 . .
C32 C31 C30 118.8(5) . .
C32 C31 H31 120.6 . .
C31 C32 H32 120.5 . .
C33 C32 C31 119.0(6) . .
C33 C32 H32 120.5 . .
N16 C33 C32 123.3(5) . .
N16 C33 H33 118.4 . .
C32 C33 H33 118.4 . .
O4 C34 H34A 109.5 . .
O4 C34 H34B 109.5 . .
O4 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.7283(5) 2_766
Dy1 Cl1 2.7674(13) .
Dy1 O1 2.318(5) .
Dy1 O1 2.291(4) 2_766
Dy1 O2 2.440(4) .
Dy1 N1 2.577(5) .
Dy1 N2 2.539(5) .
Dy1 N5 2.575(5) .
Dy1 N8 2.571(5) .
O1 Dy1 2.291(4) 2_766
O1 H1 0.8501 .
O2 H2 0.8500 .
O2 C17 1.445(7) .
N1 C12 1.353(7) .
N1 C16 1.338(7) .
N2 C10 1.341(7) .
N2 C11 1.371(7) .
N3 N4 1.365(7) .
N3 C11 1.315(7) .
N4 H4 0.8997 .
N4 C10 1.327(7) .
N5 C6 1.376(7) .
N5 C7 1.339(7) .
N6 H6 0.8999 .
N6 N7 1.359(7) .
N6 C7 1.344(7) .
N7 C6 1.330(7) .
N8 C1 1.339(7) .
N8 C5 1.350(7) .
C1 H1A 0.9500 .
C1 C2 1.382(8) .
C2 H2A 0.9500 .
C2 C3 1.389(8) .
C3 H3 0.9500 .
C3 C4 1.378(8) .
C4 H4A 0.9500 .
C4 C5 1.385(8) .
C5 C6 1.468(8) .
C7 C8 1.483(8) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C8 C9 1.544(8) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.492(8) .
C11 C12 1.476(8) .
C12 C13 1.389(8) .
C13 H13 0.9500 .
C13 C14 1.388(9) .
C14 H14 0.9500 .
C14 C15 1.384(9) .
C15 H15 0.9500 .
C15 C16 1.411(8) .
C16 H16 0.9500 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
Dy2 Dy2 3.7227(5) 2_675
Dy2 Cl2 2.7799(13) .
Dy2 O3 2.260(4) 2_675
Dy2 O3 2.251(4) .
Dy2 O4 2.424(4) .
Dy2 N9 2.606(5) .
Dy2 N10 2.542(5) .
Dy2 N13 2.555(5) .
Dy2 N16 2.590(5) .
O3 Dy2 2.260(4) 2_675
O3 H3A 0.8500 .
O4 H4B 0.8500 .
O4 C34 1.436(7) .
N9 C18 1.340(7) .
N9 C22 1.349(7) .
N10 C23 1.364(7) .
N10 C24 1.330(7) .
N11 N12 1.361(7) .
N11 C23 1.320(7) .
N12 H12 0.8996 .
N12 C24 1.336(7) .
N13 C27 1.337(7) .
N13 C28 1.373(7) .
N14 H14A 0.8994 .
N14 N15 1.349(7) .
N14 C27 1.329(8) .
N15 C28 1.315(7) .
N16 C29 1.344(7) .
N16 C33 1.335(7) .
C18 H18 0.9500 .
C18 C19 1.400(8) .
C19 H19 0.9500 .
C19 C20 1.381(9) .
C20 H20 0.9500 .
C20 C21 1.393(9) .
C21 H21 0.9500 .
C21 C22 1.387(8) .
C22 C23 1.479(8) .
C24 C25 1.491(8) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C25 C26 1.555(9) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C26 C27 1.489(8) .
C28 C29 1.473(8) .
C29 C30 1.397(8) .
C30 H30 0.9500 .
C30 C31 1.392(9) .
C31 H31 0.9500 .
C31 C32 1.390(9) .
C32 H32 0.9500 .
C32 C33 1.386(8) .
C33 H33 0.9500 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 Cl3 0.85 2.40 3.227(6) 163.4 .
O2 H2 CL3_$1 0.85 2.19 3.008(4) 163.0 2_766
N4 H4 CL4_$3 0.90 2.20 3.067(5) 161.0 2_676
N6 H6 CL2_$4 0.90 2.22 3.110(5) 169.6 2_666
O3 H3A Cl4 0.85 2.53 3.343(5) 161.1 .
O4 H4B CL4_$2 0.85 2.18 2.996(4) 160.8 2_675
N12 H12 CL3_$4 0.90 2.19 3.077(5) 167.0 2_666
N14 H14A CL1_$3 0.90 2.26 3.142(5) 166.6 2_676
