#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:54:09 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177819 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/77/7037713.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_7037713
loop_
_publ_author_name
'Zhang, Da'
'Tian, Yong-Mei'
'Sun, Wen-Bin'
'Li, Hong-Feng'
'Chen, Peng'
'Zhang, Yi-Quan'
'Yan, Peng-Fei'
_publ_section_title
;
 A family of tetranuclear quinolinolate Dy(iii)-based single-molecule
 magnets: effects of periphery ligand replacement on their magnetic
 relaxation.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2674
_journal_page_last               2680
_journal_paper_doi               10.1039/c5dt04362j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C119 H90 Cl10 Dy4 N6 O16'
_chemical_formula_weight         2864.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-12 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                110.993(4)
_cell_angle_beta                 104.394(3)
_cell_angle_gamma                106.271(3)
_cell_formula_units_Z            1
_cell_length_a                   13.9004(5)
_cell_length_b                   15.1696(6)
_cell_length_c                   16.5072(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2873.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.851
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0682
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23048
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.91
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    2.869
_exptl_absorpt_correction_T_max  0.6567
_exptl_absorpt_correction_T_min  0.5976
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.394
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         12905
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0369P)²+2.6623P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                9351
_reflns_number_total             12905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04362j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7037712--7037714.cif.'
_cod_original_cell_volume        2873.37(19)
_cod_database_code               7037713
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.134575(19) 0.009623(18) 0.485260(17) 0.03198(8) Uani 1 1 d . . .
Dy2 Dy 0.14940(2) 0.151137(18) 0.715996(17) 0.03529(8) Uani 1 1 d . . .
O6 O 0.2827(3) 0.0240(3) 0.4428(3) 0.0448(10) Uani 1 1 d . . .
O8 O 0.0457(3) 0.1052(2) 0.5610(2) 0.0309(7) Uani 1 1 d . . .
O3 O 0.2641(3) 0.1586(3) 0.6309(3) 0.0416(9) Uani 1 1 d . . .
O7 O 0.1475(3) -0.1466(3) 0.4400(3) 0.0490(10) Uani 1 1 d . . .
O5 O 0.1680(3) 0.3101(3) 0.7212(3) 0.0487(10) Uani 1 1 d . . .
O4 O 0.1410(3) 0.2495(3) 0.8569(3) 0.0526(11) Uani 1 1 d . . .
N3 N 0.3496(4) 0.2608(4) 0.8209(4) 0.0585(14) Uani 1 1 d . . .
N2 N -0.1610(4) -0.1506(4) 0.5677(4) 0.0458(12) Uani 1 1 d . . .
N1 N 0.1779(4) 0.0488(4) 0.8055(3) 0.0520(13) Uani 1 1 d . . .
C1 C 0.2025(6) 0.0792(6) 0.8967(5) 0.068(2) Uani 1 1 d . . .
H1A H 0.2276 0.1494 0.9367 0.082 Uiso 1 1 calc R . .
C2 C 0.1924(7) 0.0112(7) 0.9350(6) 0.087(3) Uani 1 1 d . . .
H2A H 0.2139 0.0365 0.9999 0.105 Uiso 1 1 calc R . .
C3 C 0.1518(7) -0.0904(7) 0.8794(6) 0.080(2) Uani 1 1 d . . .
H3A H 0.1419 -0.1361 0.9051 0.096 Uiso 1 1 calc R . .
C4 C 0.1241(6) -0.1281(6) 0.7817(5) 0.0610(18) Uani 1 1 d . . .
C5 C 0.0846(7) -0.2328(6) 0.7189(6) 0.078(2) Uani 1 1 d . . .
H5A H 0.0731 -0.2820 0.7407 0.093 Uiso 1 1 calc R . .
C6 C 0.0630(6) -0.2627(5) 0.6261(6) 0.071(2) Uani 1 1 d . . .
H6A H 0.0358 -0.3327 0.5846 0.085 Uiso 1 1 calc R . .
C7 C 0.0807(5) -0.1900(4) 0.5913(5) 0.0507(15) Uani 1 1 d . . .
H7A H 0.0663 -0.2126 0.5275 0.061 Uiso 1 1 calc R . .
C8 C 0.1191(5) -0.0861(4) 0.6502(4) 0.0414(13) Uani 1 1 d . . .
C9 C 0.1410(5) -0.0546(5) 0.7473(4) 0.0483(15) Uani 1 1 d . . .
C10 C -0.2161(5) -0.2497(5) 0.5157(5) 0.0596(18) Uani 1 1 d . . .
H10A H -0.2307 -0.2772 0.4516 0.072 Uiso 1 1 calc R . .
C11 C -0.2546(6) -0.3170(6) 0.5514(7) 0.077(2) Uani 1 1 d . . .
H11A H -0.2926 -0.3877 0.5117 0.092 Uiso 1 1 calc R . .
C12 C -0.2362(6) -0.2788(6) 0.6433(7) 0.079(2) Uani 1 1 d . . .
H12A H -0.2612 -0.3232 0.6674 0.094 Uiso 1 1 calc R . .
C13 C -0.1790(6) -0.1716(6) 0.7035(6) 0.0616(18) Uani 1 1 d . . .
C14 C -0.1615(7) -0.1246(8) 0.7983(7) 0.090(3) Uani 1 1 d . . .
H14A H -0.1874 -0.1639 0.8266 0.107 Uiso 1 1 calc R . .
C15 C -0.1064(7) -0.0212(8) 0.8484(6) 0.091(3) Uani 1 1 d . . .
H15A H -0.0963 0.0102 0.9115 0.110 Uiso 1 1 calc R . .
C16 C -0.0640(6) 0.0407(6) 0.8100(5) 0.073(2) Uani 1 1 d . . .
H16A H -0.0257 0.1117 0.8477 0.088 Uiso 1 1 calc R . .
C17 C -0.0781(5) -0.0018(5) 0.7177(4) 0.0470(14) Uani 1 1 d . . .
C18 C -0.1399(5) -0.1109(5) 0.6615(5) 0.0462(14) Uani 1 1 d . . .
C19 C 0.3942(6) 0.3102(6) 0.9131(5) 0.079(2) Uani 1 1 d . . .
H19A H 0.3501 0.2982 0.9455 0.095 Uiso 1 1 calc R . .
C20 C 0.5025(7) 0.3795(7) 0.9661(6) 0.104(3) Uani 1 1 d . . .
H20A H 0.5302 0.4111 1.0316 0.124 Uiso 1 1 calc R . .
C21 C 0.5659(7) 0.3992(8) 0.9194(7) 0.106(3) Uani 1 1 d . . .
H21A H 0.6379 0.4470 0.9535 0.127 Uiso 1 1 calc R . .
C22 C 0.5260(6) 0.3496(6) 0.8211(6) 0.075(2) Uani 1 1 d . . .
C23 C 0.5870(6) 0.3673(7) 0.7695(7) 0.093(3) Uani 1 1 d . . .
H23A H 0.6597 0.4139 0.8002 0.112 Uiso 1 1 calc R . .
C24 C 0.5414(6) 0.3172(6) 0.6752(7) 0.083(3) Uani 1 1 d . . .
H24A H 0.5834 0.3300 0.6415 0.099 Uiso 1 1 calc R . .
C25 C 0.4316(5) 0.2454(5) 0.6254(5) 0.0600(18) Uani 1 1 d . . .
H25A H 0.4024 0.2116 0.5599 0.072 Uiso 1 1 calc R . .
C26 C 0.3681(4) 0.2257(4) 0.6738(4) 0.0416(13) Uani 1 1 d . . .
C27 C 0.4149(5) 0.2790(5) 0.7737(5) 0.0544(16) Uani 1 1 d . . .
C28 C 0.1153(8) 0.2975(8) 1.0232(6) 0.104(3) Uani 1 1 d . . .
H28A H 0.1268 0.2385 0.9944 0.125 Uiso 1 1 calc R . .
C29 C 0.0910(10) 0.3147(12) 1.1049(7) 0.150(5) Uani 1 1 d . . .
H29A H 0.0825 0.2663 1.1276 0.180 Uiso 1 1 calc R . .
C30 C 0.0807(11) 0.4047(12) 1.1488(8) 0.141(5) Uani 1 1 d . . .
H30A H 0.0686 0.4193 1.2042 0.169 Uiso 1 1 calc R . .
C31 C 0.0876(9) 0.4732(10) 1.1139(8) 0.123(4) Uani 1 1 d . . .
H31A H 0.0799 0.5339 1.1447 0.148 Uiso 1 1 calc R . .
C32 C 0.1064(7) 0.4523(7) 1.0314(6) 0.089(3) Uani 1 1 d . . .
H32A H 0.1084 0.4983 1.0061 0.106 Uiso 1 1 calc R . .
C33 C 0.1221(6) 0.3642(6) 0.9864(5) 0.0651(19) Uani 1 1 d . . .
C34 C 0.1437(5) 0.3389(5) 0.8975(4) 0.0479(15) Uani 1 1 d . . .
C35 C 0.1672(5) 0.4127(5) 0.8664(4) 0.0588(18) Uani 1 1 d . . .
H35A H 0.1746 0.4784 0.9049 0.071 Uiso 1 1 calc R . .
C36 C 0.1806(5) 0.3966(4) 0.7822(4) 0.0480(15) Uani 1 1 d . . .
C37 C 0.2120(5) 0.4846(4) 0.7592(5) 0.0551(16) Uani 1 1 d . . .
C38 C 0.2577(7) 0.5876(6) 0.8257(6) 0.089(3) Uani 1 1 d . . .
H38A H 0.2709 0.6041 0.8886 0.107 Uiso 1 1 calc R . .
C39 C 0.2839(9) 0.6660(7) 0.8012(9) 0.114(4) Uani 1 1 d . . .
H39A H 0.3139 0.7345 0.8471 0.137 Uiso 1 1 calc R . .
C40 C 0.2664(8) 0.6440(7) 0.7121(9) 0.106(3) Uani 1 1 d . . .
H40A H 0.2844 0.6973 0.6958 0.127 Uiso 1 1 calc R . .
C41 C 0.2221(7) 0.5436(7) 0.6442(7) 0.089(3) Uani 1 1 d . . .
H41A H 0.2101 0.5286 0.5819 0.107 Uiso 1 1 calc R . .
C42 C 0.1951(6) 0.4642(6) 0.6680(6) 0.070(2) Uani 1 1 d . . .
H42A H 0.1650 0.3959 0.6214 0.084 Uiso 1 1 calc R . .
C43 C 0.0881(5) -0.3620(5) 0.3739(4) 0.0524(16) Uani 1 1 d . . .
H43A H 0.0298 -0.3462 0.3526 0.063 Uiso 1 1 calc R . .
C44 C 0.0681(6) -0.4589(5) 0.3692(5) 0.0631(19) Uani 1 1 d . . .
H44A H -0.0031 -0.5076 0.3442 0.076 Uiso 1 1 calc R . .
C45 C 0.1526(7) -0.4829(6) 0.4010(5) 0.071(2) Uani 1 1 d . . .
H45A H 0.1396 -0.5481 0.3973 0.085 Uiso 1 1 calc R . .
C46 C 0.2567(7) -0.4100(6) 0.4385(6) 0.072(2) Uani 1 1 d . . .
H46A H 0.3146 -0.4255 0.4614 0.086 Uiso 1 1 calc R . .
C47 C 0.2766(6) -0.3152(5) 0.4429(5) 0.0603(18) Uani 1 1 d . . .
H47A H 0.3482 -0.2668 0.4687 0.072 Uiso 1 1 calc R . .
C48 C 0.1924(5) -0.2888(4) 0.4096(4) 0.0427(13) Uani 1 1 d . . .
C49 C 0.2131(5) -0.1836(4) 0.4173(4) 0.0407(13) Uani 1 1 d . . .
C50 C 0.2986(5) -0.1343(5) 0.3990(5) 0.0520(16) Uani 1 1 d . . .
H50A H 0.3393 -0.1701 0.3784 0.062 Uiso 1 1 calc R . .
C51 C 0.3273(4) -0.0344(4) 0.4095(4) 0.0387(12) Uani 1 1 d . . .
C52 C 0.4153(5) 0.0099(5) 0.3797(4) 0.0465(14) Uani 1 1 d . . .
C53 C 0.4944(5) -0.0295(5) 0.3725(5) 0.0562(17) Uani 1 1 d . . .
H53A H 0.4942 -0.0835 0.3869 0.067 Uiso 1 1 calc R . .
C54 C 0.5737(5) 0.0134(6) 0.3434(6) 0.073(2) Uani 1 1 d . . .
H54A H 0.6279 -0.0108 0.3405 0.088 Uiso 1 1 calc R . .
C55 C 0.5729(7) 0.0899(6) 0.3195(6) 0.087(3) Uani 1 1 d . . .
H55A H 0.6255 0.1173 0.2994 0.104 Uiso 1 1 calc R . .
C56 C 0.4935(6) 0.1270(6) 0.3249(6) 0.087(3) Uani 1 1 d . . .
H56A H 0.4915 0.1783 0.3072 0.104 Uiso 1 1 calc R . .
C57 C 0.4169(5) 0.0877(5) 0.3567(5) 0.0630(19) Uani 1 1 d . . .
H57A H 0.3654 0.1151 0.3626 0.076 Uiso 1 1 calc R . .
O2 O -0.0355(3) 0.0514(3) 0.6764(3) 0.0421(9) Uani 1 1 d . . .
O1 O 0.1367(3) -0.0132(3) 0.6224(3) 0.0401(9) Uani 1 1 d . . .
Cl1 Cl 0.4915(3) 0.4329(3) 1.3565(3) 0.1952(19) Uani 1 1 d . . .
Cl2 Cl 0.3968(4) 0.3307(6) 1.1609(4) 0.318(4) Uani 1 1 d . . .
C58 C 0.4926(10) 0.4291(11) 1.2500(11) 0.169(6) Uani 1 1 d . . .
H58A H 0.4874 0.4909 1.2483 0.203 Uiso 1 1 calc R . .
H58B H 0.5615 0.4297 1.2467 0.203 Uiso 1 1 calc R . .
C60 C 0.260(4) 0.841(3) 1.158(2) 0.069(12) Uani 0.179(9) 1 d PDU A 1
H60A H 0.1867 0.8190 1.1561 0.083 Uiso 0.179(9) 1 calc PR A 1
H60B H 0.3080 0.8976 1.2204 0.083 Uiso 0.179(9) 1 calc PR A 1
Cl6 Cl 0.265(3) 0.882(2) 1.077(2) 0.227(16) Uani 0.179(9) 1 d PDU A 1
Cl5 Cl 0.299(3) 0.742(2) 1.137(2) 0.243(17) Uani 0.179(9) 1 d PDU A 1
Cl3 Cl 0.1823(13) 0.7406(12) 1.1313(11) 0.493(9) Uani 0.821(9) 1 d PDU A 2
Cl4 Cl 0.3313(13) 0.8313(14) 1.0756(12) 0.555(11) Uani 0.821(9) 1 d PDU A 2
C59 C 0.1891(11) 0.7565(11) 1.0397(9) 0.128(5) Uani 0.821(9) 1 d PDU A 2
H59A H 0.1461 0.7935 1.0253 0.154 Uiso 0.821(9) 1 calc PR A 2
H59B H 0.1638 0.6905 0.9848 0.154 Uiso 0.821(9) 1 calc PR A 2
Cl8 Cl 0.514(2) 0.9121(17) 1.0508(18) 0.508(13) Uani 0.50 1 d PDU . .
C61 C 0.455(2) 0.9750(17) 0.9722(16) 0.215(15) Uani 0.50 1 d PDU . .
H61A H 0.4993 0.9935 0.9392 0.258 Uiso 0.50 1 calc PR . .
H61B H 0.3794 0.9327 0.9288 0.258 Uiso 0.50 1 calc PR . .
Cl7 Cl 0.4709(18) 1.0858(16) 1.0746(15) 0.471(12) Uani 0.50 1 d PDU . .
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'
O O 0.0106 0.0060 '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'
Dy Dy -0.1892 4.4098 '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'
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
O7 Dy1 O6 72.31(13) . .
O7 Dy1 O8 77.97(12) . 2_556
O6 Dy1 O8 141.60(12) . 2_556
O7 Dy1 O2 85.54(14) . 2_556
O6 Dy1 O2 84.19(13) . 2_556
O8 Dy1 O2 69.59(12) 2_556 2_556
O7 Dy1 O8 142.44(12) . .
O6 Dy1 O8 143.98(12) . .
O8 Dy1 O8 71.78(12) 2_556 .
O2 Dy1 O8 103.71(12) 2_556 .
O7 Dy1 O1 80.51(13) . .
O6 Dy1 O1 120.44(13) . .
O8 Dy1 O1 76.69(12) 2_556 .
O2 Dy1 O1 145.51(12) 2_556 .
O8 Dy1 O1 71.40(11) . .
O7 Dy1 O3 121.36(14) . .
O6 Dy1 O3 84.16(13) . .
O8 Dy1 O3 132.90(11) 2_556 .
O2 Dy1 O3 145.32(13) 2_556 .
O8 Dy1 O3 69.32(11) . .
O1 Dy1 O3 66.57(12) . .
O7 Dy1 N2 136.94(14) . 2_556
O6 Dy1 N2 73.34(14) . 2_556
O8 Dy1 N2 116.98(13) 2_556 2_556
O2 Dy1 N2 65.83(15) 2_556 2_556
O8 Dy1 N2 78.08(13) . 2_556
O1 Dy1 N2 140.42(14) . 2_556
O3 Dy1 N2 79.54(15) . 2_556
O7 Dy1 Dy2 120.94(10) . .
O6 Dy1 Dy2 124.80(10) . .
O8 Dy1 Dy2 91.24(8) 2_556 .
O2 Dy1 Dy2 144.09(9) 2_556 .
O8 Dy1 Dy2 40.43(8) . .
O1 Dy1 Dy2 40.82(8) . .
O3 Dy1 Dy2 41.67(8) . .
N2 Dy1 Dy2 99.86(11) 2_556 .
O7 Dy1 Dy1 111.33(9) . 2_556
O6 Dy1 Dy1 169.39(10) . 2_556
O8 Dy1 Dy1 36.10(8) 2_556 2_556
O2 Dy1 Dy1 86.15(9) 2_556 2_556
O8 Dy1 Dy1 35.67(8) . 2_556
O1 Dy1 Dy1 70.17(9) . 2_556
O3 Dy1 Dy1 101.47(8) . 2_556
N2 Dy1 Dy1 98.65(10) 2_556 2_556
Dy2 Dy1 Dy1 62.679(9) . 2_556
O7 Dy1 Dy2 83.53(10) . 2_556
O6 Dy1 Dy2 116.84(10) . 2_556
O8 Dy1 Dy2 34.48(8) 2_556 2_556
O2 Dy1 Dy2 35.44(8) 2_556 2_556
O8 Dy1 Dy2 83.93(8) . 2_556
O1 Dy1 Dy2 111.17(9) . 2_556
O3 Dy1 Dy2 152.60(8) . 2_556
N2 Dy1 Dy2 89.52(11) 2_556 2_556
Dy2 Dy1 Dy2 117.811(8) . 2_556
Dy1 Dy1 Dy2 55.132(8) 2_556 2_556
O5 Dy2 O4 73.47(14) . .
O5 Dy2 O8 77.42(12) . .
O4 Dy2 O8 130.76(13) . .
O5 Dy2 O1 143.58(13) . .
O4 Dy2 O1 142.86(13) . .
O8 Dy2 O1 73.32(12) . .
O5 Dy2 O2 109.33(14) . .
O4 Dy2 O2 83.45(14) . .
O8 Dy2 O2 69.87(12) . .
O1 Dy2 O2 80.38(13) . .
O5 Dy2 O3 82.22(13) . .
O4 Dy2 O3 140.38(14) . .
O8 Dy2 O3 70.65(12) . .
O1 Dy2 O3 68.01(12) . .
O2 Dy2 O3 134.84(12) . .
O5 Dy2 N1 148.14(15) . .
O4 Dy2 N1 78.49(15) . .
O8 Dy2 N1 133.72(14) . .
O1 Dy2 N1 66.27(14) . .
O2 Dy2 N1 81.77(15) . .
O3 Dy2 N1 111.62(15) . .
O5 Dy2 N3 78.63(16) . .
O4 Dy2 N3 78.24(17) . .
O8 Dy2 N3 132.97(15) . .
O1 Dy2 N3 106.33(16) . .
O2 Dy2 N3 157.05(16) . .
O3 Dy2 N3 66.44(15) . .
N1 Dy2 N3 81.13(18) . .
O5 Dy2 Dy1 101.56(9) . .
O4 Dy2 Dy1 172.19(11) . .
O8 Dy2 Dy1 41.46(8) . .
O1 Dy2 Dy1 42.10(9) . .
O2 Dy2 Dy1 92.74(9) . .
O3 Dy2 Dy1 42.32(9) . .
N1 Dy2 Dy1 107.78(11) . .
N3 Dy2 Dy1 107.00(13) . .
O5 Dy2 Dy1 97.07(10) . 2_556
O4 Dy2 Dy1 111.91(11) . 2_556
O8 Dy2 Dy1 34.89(8) . 2_556
O1 Dy2 Dy1 70.25(9) . 2_556
O2 Dy2 Dy1 35.31(9) . 2_556
O3 Dy2 Dy1 101.61(9) . 2_556
N1 Dy2 Dy1 107.33(12) . 2_556
N3 Dy2 Dy1 167.62(13) . 2_556
Dy1 Dy2 Dy1 62.189(8) . 2_556
C51 O6 Dy1 137.3(3) . .
Dy2 O8 Dy1 110.62(13) . 2_556
Dy2 O8 Dy1 98.11(12) . .
Dy1 O8 Dy1 108.22(12) 2_556 .
C26 O3 Dy2 121.0(3) . .
C26 O3 Dy1 142.5(3) . .
Dy2 O3 Dy1 96.01(12) . .
C49 O7 Dy1 137.3(4) . .
C36 O5 Dy2 135.7(4) . .
C34 O4 Dy2 136.1(4) . .
C19 N3 C27 117.3(6) . .
C19 N3 Dy2 127.8(5) . .
C27 N3 Dy2 114.5(4) . .
C10 N2 C18 118.0(5) . .
C10 N2 Dy1 127.8(5) . 2_556
C18 N2 Dy1 111.5(4) . 2_556
C1 N1 C9 118.0(6) . .
C1 N1 Dy2 127.8(4) . .
C9 N1 Dy2 112.7(4) . .
N1 C1 C2 122.9(7) . .
N1 C1 H1A 118.5 . .
C2 C1 H1A 118.5 . .
C3 C2 C1 120.3(8) . .
C3 C2 H2A 119.8 . .
C1 C2 H2A 119.8 . .
C2 C3 C4 119.6(7) . .
C2 C3 H3A 120.2 . .
C4 C3 H3A 120.2 . .
C5 C4 C3 123.4(7) . .
C5 C4 C9 119.2(7) . .
C3 C4 C9 117.4(7) . .
C6 C5 C4 119.8(6) . .
C6 C5 H5A 120.1 . .
C4 C5 H5A 120.1 . .
C5 C6 C7 121.4(7) . .
C5 C6 H6A 119.3 . .
C7 C6 H6A 119.3 . .
C8 C7 C6 121.0(6) . .
C8 C7 H7A 119.5 . .
C6 C7 H7A 119.5 . .
O1 C8 C7 124.4(5) . .
O1 C8 C9 117.8(5) . .
C7 C8 C9 117.8(5) . .
N1 C9 C4 121.6(6) . .
N1 C9 C8 117.6(5) . .
C4 C9 C8 120.8(6) . .
N2 C10 C11 123.3(7) . .
N2 C10 H10A 118.4 . .
C11 C10 H10A 118.4 . .
C12 C11 C10 119.4(7) . .
C12 C11 H11A 120.3 . .
C10 C11 H11A 120.3 . .
C11 C12 C13 120.4(7) . .
C11 C12 H12A 119.8 . .
C13 C12 H12A 119.8 . .
C14 C13 C18 119.9(7) . .
C14 C13 C12 124.3(7) . .
C18 C13 C12 115.8(7) . .
C15 C14 C13 118.8(7) . .
C15 C14 H14A 120.6 . .
C13 C14 H14A 120.6 . .
C14 C15 C16 122.8(8) . .
C14 C15 H15A 118.6 . .
C16 C15 H15A 118.6 . .
C17 C16 C15 120.6(7) . .
C17 C16 H16A 119.7 . .
C15 C16 H16A 119.7 . .
O2 C17 C16 124.3(6) . .
O2 C17 C18 117.7(5) . .
C16 C17 C18 117.9(6) . .
N2 C18 C13 123.1(6) . .
N2 C18 C17 117.0(5) . .
C13 C18 C17 119.9(6) . .
N3 C19 C20 124.8(8) . .
N3 C19 H19A 117.6 . .
C20 C19 H19A 117.6 . .
C21 C20 C19 117.8(8) . .
C21 C20 H20A 121.1 . .
C19 C20 H20A 121.1 . .
C20 C21 C22 121.5(8) . .
C20 C21 H21A 119.2 . .
C22 C21 H21A 119.2 . .
C23 C22 C21 124.1(7) . .
C23 C22 C27 119.7(7) . .
C21 C22 C27 116.3(8) . .
C24 C23 C22 119.9(7) . .
C24 C23 H23A 120.0 . .
C22 C23 H23A 120.0 . .
C23 C24 C25 122.1(7) . .
C23 C24 H24A 118.9 . .
C25 C24 H24A 118.9 . .
C26 C25 C24 119.9(7) . .
C26 C25 H25A 120.1 . .
C24 C25 H25A 120.1 . .
O3 C26 C25 122.8(6) . .
O3 C26 C27 118.6(5) . .
C25 C26 C27 118.6(5) . .
N3 C27 C26 117.9(5) . .
N3 C27 C22 122.3(6) . .
C26 C27 C22 119.7(6) . .
C33 C28 C29 121.9(10) . .
C33 C28 H28A 119.0 . .
C29 C28 H28A 119.0 . .
C30 C29 C28 117.7(12) . .
C30 C29 H29A 121.2 . .
C28 C29 H29A 121.2 . .
C31 C30 C29 121.6(11) . .
C31 C30 H30A 119.2 . .
C29 C30 H30A 119.2 . .
C30 C31 C32 119.6(11) . .
C30 C31 H31A 120.2 . .
C32 C31 H31A 120.2 . .
C33 C32 C31 121.0(10) . .
C33 C32 H32A 119.5 . .
C31 C32 H32A 119.5 . .
C28 C33 C32 118.0(8) . .
C28 C33 C34 119.0(7) . .
C32 C33 C34 123.0(8) . .
O4 C34 C35 124.2(6) . .
O4 C34 C33 116.0(6) . .
C35 C34 C33 119.8(6) . .
C34 C35 C36 125.4(6) . .
C34 C35 H35A 117.3 . .
C36 C35 H35A 117.3 . .
O5 C36 C35 124.1(6) . .
O5 C36 C37 115.8(6) . .
C35 C36 C37 120.1(6) . .
C42 C37 C38 117.2(7) . .
C42 C37 C36 119.3(6) . .
C38 C37 C36 123.5(7) . .
C39 C38 C37 121.5(9) . .
C39 C38 H38A 119.2 . .
C37 C38 H38A 119.2 . .
C40 C39 C38 120.1(9) . .
C40 C39 H39A 119.9 . .
C38 C39 H39A 119.9 . .
C39 C40 C41 120.3(9) . .
C39 C40 H40A 119.9 . .
C41 C40 H40A 119.9 . .
C40 C41 C42 120.1(9) . .
C40 C41 H41A 119.9 . .
C42 C41 H41A 119.9 . .
C37 C42 C41 120.8(7) . .
C37 C42 H42A 119.6 . .
C41 C42 H42A 119.6 . .
C48 C43 C44 121.2(6) . .
C48 C43 H43A 119.4 . .
C44 C43 H43A 119.4 . .
C45 C44 C43 120.1(7) . .
C45 C44 H44A 119.9 . .
C43 C44 H44A 119.9 . .
C44 C45 C46 119.2(7) . .
C44 C45 H45A 120.4 . .
C46 C45 H45A 120.4 . .
C47 C46 C45 120.9(7) . .
C47 C46 H46A 119.6 . .
C45 C46 H46A 119.6 . .
C46 C47 C48 121.4(7) . .
C46 C47 H47A 119.3 . .
C48 C47 H47A 119.3 . .
C43 C48 C47 117.2(6) . .
C43 C48 C49 120.8(5) . .
C47 C48 C49 121.9(6) . .
O7 C49 C50 124.7(5) . .
O7 C49 C48 115.3(5) . .
C50 C49 C48 120.0(5) . .
C49 C50 C51 123.7(5) . .
C49 C50 H50A 118.1 . .
C51 C50 H50A 118.1 . .
O6 C51 C50 123.7(5) . .
O6 C51 C52 116.2(5) . .
C50 C51 C52 120.1(5) . .
C57 C52 C53 119.0(6) . .
C57 C52 C51 119.7(5) . .
C53 C52 C51 121.3(5) . .
C54 C53 C52 119.1(7) . .
C54 C53 H53A 120.4 . .
C52 C53 H53A 120.4 . .
C55 C54 C53 121.0(7) . .
C55 C54 H54A 119.5 . .
C53 C54 H54A 119.5 . .
C54 C55 C56 119.6(7) . .
C54 C55 H55A 120.2 . .
C56 C55 H55A 120.2 . .
C55 C56 C57 120.0(7) . .
C55 C56 H56A 120.0 . .
C57 C56 H56A 120.0 . .
C52 C57 C56 121.2(6) . .
C52 C57 H57A 119.4 . .
C56 C57 H57A 119.4 . .
C17 O2 Dy1 116.8(3) . 2_556
C17 O2 Dy2 128.8(4) . .
Dy1 O2 Dy2 109.25(13) 2_556 .
C8 O1 Dy2 120.7(3) . .
C8 O1 Dy1 141.3(3) . .
Dy2 O1 Dy1 97.08(12) . .
Cl2 C58 Cl1 113.2(8) . .
Cl2 C58 H58A 108.9 . .
Cl1 C58 H58A 108.9 . .
Cl2 C58 H58B 108.9 . .
Cl1 C58 H58B 108.9 . .
H58A C58 H58B 107.7 . .
Cl6 C60 Cl5 109.6(16) . .
Cl6 C60 H60A 109.7 . .
Cl5 C60 H60A 109.7 . .
Cl6 C60 H60B 109.7 . .
Cl5 C60 H60B 109.7 . .
H60A C60 H60B 108.2 . .
Cl3 C59 Cl4 103.7(9) . .
Cl3 C59 H59A 111.0 . .
Cl4 C59 H59A 111.0 . .
Cl3 C59 H59B 111.0 . .
Cl4 C59 H59B 111.0 . .
H59A C59 H59B 109.0 . .
C61 Cl8 C61 35.3(19) 2_677 .
C61 Cl8 Cl7 53.5(8) 2_677 2_677
C61 Cl8 Cl7 48.6(7) . 2_677
Cl7 C61 Cl8 92.7(12) . .
Cl7 C61 H61A 113.2 . .
Cl8 C61 H61A 113.2 . .
Cl7 C61 H61B 113.2 . .
Cl8 C61 H61B 113.2 . .
H61A C61 H61B 110.5 . .
C61 Cl7 C61 39(2) 2_677 .
C61 Cl7 Cl8 61.8(9) 2_677 2_677
C61 Cl7 Cl8 54.7(8) . 2_677
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O7 2.290(4) .
Dy1 O6 2.314(3) .
Dy1 O8 2.355(3) 2_556
Dy1 O2 2.359(4) 2_556
Dy1 O8 2.380(3) .
Dy1 O1 2.404(4) .
Dy1 O3 2.409(4) .
Dy1 N2 2.556(5) 2_556
Dy1 Dy2 3.5583(4) .
Dy1 Dy1 3.8359(5) 2_556
Dy1 Dy2 3.8531(4) 2_556
Dy2 O5 2.319(4) .
Dy2 O4 2.323(4) .
Dy2 O8 2.331(3) .
Dy2 O1 2.344(3) .
Dy2 O2 2.366(4) .
Dy2 O3 2.379(4) .
Dy2 N1 2.538(5) .
Dy2 N3 2.541(5) .
Dy2 Dy1 3.8531(5) 2_556
O6 C51 1.264(6) .
O8 Dy1 2.355(3) 2_556
O3 C26 1.333(6) .
O7 C49 1.262(6) .
O5 C36 1.267(6) .
O4 C34 1.264(7) .
N3 C19 1.310(8) .
N3 C27 1.369(8) .
N2 C10 1.299(7) .
N2 C18 1.362(7) .
N2 Dy1 2.556(5) 2_556
N1 C1 1.324(8) .
N1 C9 1.369(7) .
C1 C2 1.384(10) .
C1 H1A 0.9300 .
C2 C3 1.333(11) .
C2 H2A 0.9300 .
C3 C4 1.409(10) .
C3 H3A 0.9300 .
C4 C5 1.396(10) .
C4 C9 1.412(8) .
C5 C6 1.357(10) .
C5 H5A 0.9300 .
C6 C7 1.407(8) .
C6 H6A 0.9300 .
C7 C8 1.374(8) .
C7 H7A 0.9300 .
C8 O1 1.326(6) .
C8 C9 1.420(8) .
C10 C11 1.399(9) .
C10 H10A 0.9300 .
C11 C12 1.340(11) .
C11 H11A 0.9300 .
C12 C13 1.411(10) .
C12 H12A 0.9300 .
C13 C14 1.389(11) .
C13 C18 1.409(8) .
C14 C15 1.347(11) .
C14 H14A 0.9300 .
C15 C16 1.391(10) .
C15 H15A 0.9300 .
C16 C17 1.362(8) .
C16 H16A 0.9300 .
C17 O2 1.338(6) .
C17 C18 1.431(8) .
C19 C20 1.392(10) .
C19 H19A 0.9300 .
C20 C21 1.347(12) .
C20 H20A 0.9300 .
C21 C22 1.397(11) .
C21 H21A 0.9300 .
C22 C23 1.384(11) .
C22 C27 1.419(9) .
C23 C24 1.339(11) .
C23 H23A 0.9300 .
C24 C25 1.413(9) .
C24 H24A 0.9300 .
C25 C26 1.371(8) .
C25 H25A 0.9300 .
C26 C27 1.419(8) .
C28 C33 1.349(11) .
C28 C29 1.422(11) .
C28 H28A 0.9300 .
C29 C30 1.365(16) .
C29 H29A 0.9300 .
C30 C31 1.349(16) .
C30 H30A 0.9300 .
C31 C32 1.392(12) .
C31 H31A 0.9300 .
C32 C33 1.385(10) .
C32 H32A 0.9300 .
C33 C34 1.506(9) .
C34 C35 1.384(9) .
C35 C36 1.392(9) .
C35 H35A 0.9300 .
C36 C37 1.495(8) .
C37 C42 1.366(9) .
C37 C38 1.385(9) .
C38 C39 1.374(11) .
C38 H38A 0.9300 .
C39 C40 1.327(13) .
C39 H39A 0.9300 .
C40 C41 1.366(12) .
C40 H40A 0.9300 .
C41 C42 1.380(10) .
C41 H41A 0.9300 .
C42 H42A 0.9300 .
C43 C48 1.374(8) .
C43 C44 1.387(8) .
C43 H43A 0.9300 .
C44 C45 1.363(10) .
C44 H44A 0.9300 .
C45 C46 1.366(10) .
C45 H45A 0.9300 .
C46 C47 1.357(9) .
C46 H46A 0.9300 .
C47 C48 1.390(8) .
C47 H47A 0.9300 .
C48 C49 1.491(7) .
C49 C50 1.381(8) .
C50 C51 1.387(8) .
C50 H50A 0.9300 .
C51 C52 1.505(7) .
C52 C57 1.360(8) .
C52 C53 1.401(8) .
C53 C54 1.397(9) .
C53 H53A 0.9300 .
C54 C55 1.356(10) .
C54 H54A 0.9300 .
C55 C56 1.380(10) .
C55 H55A 0.9300 .
C56 C57 1.383(9) .
C56 H56A 0.9300 .
C57 H57A 0.9300 .
O2 Dy1 2.359(4) 2_556
Cl1 C58 1.743(13) .
Cl2 C58 1.583(15) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C60 Cl6 1.670(19) .
C60 Cl5 1.696(19) .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
Cl3 C59 1.635(13) .
Cl4 C59 1.795(14) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
Cl8 C61 1.843(19) 2_677
Cl8 C61 2.017(19) .
Cl8 Cl7 2.14(2) 2_677
C61 Cl7 1.815(18) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
Cl7 C61 1.715(18) 2_677
Cl7 Cl8 2.14(2) 2_677
