#------------------------------------------------------------------------------
#$Date: 2019-11-23 02:23:49 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231871 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/66/4346605.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_4346605
loop_
_publ_author_name
'Wang, Xiufeng'
'Hu, Peng'
'Li, Licun'
'Sutter, Jean-Pascal'
_publ_section_title
;
 [(Cu-radical)2-Ln]: structure and magnetic properties of a
 hetero-tri-spin chain of rings (Ln = Y(III), Gd(III), Tb(III), Dy(III)).
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9664
_journal_page_last               9669
_journal_paper_doi               10.1021/acs.inorgchem.5b01761
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C65 H53 Cu2 Dy F42 N6 O18'
_chemical_formula_weight         2293.73
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.302(3)
_cell_length_b                   24.362(5)
_cell_length_c                   28.685(6)
_cell_measurement_reflns_used    19070
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8864
_cell_measurement_theta_min      1.6747
_cell_volume                     8412(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-scans'
_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  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            51750
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    1.541
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4523
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.454
_refine_diff_density_min         -1.537
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1217
_refine_ls_number_reflns         14833
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1417
_reflns_number_gt                12715
_reflns_number_total             14833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01761_si_005.cif
_cod_data_source_block           Dy
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4346605
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.625901(15) 0.293963(8) 0.100175(7) 0.01907(9) Uani 1 1 d .
Cu1 Cu 0.83449(4) 0.33311(2) -0.15527(2) 0.02183(14) Uani 1 1 d .
Cu2 Cu 0.51151(4) 0.34190(2) 0.358930(19) 0.02232(14) Uani 1 1 d .
F1 F 0.7786(4) 0.45385(19) 0.20146(15) 0.0784(13) Uani 1 1 d .
F2 F 0.8587(3) 0.46198(17) 0.14354(16) 0.0708(12) Uani 1 1 d .
F3 F 0.7296(4) 0.51775(15) 0.1520(2) 0.1002(19) Uani 1 1 d .
F4 F 0.4037(3) 0.49435(12) 0.03506(13) 0.0573(10) Uani 1 1 d .
F5 F 0.4131(3) 0.42941(14) -0.01390(12) 0.0540(9) Uani 1 1 d .
F6 F 0.3161(3) 0.41869(16) 0.03922(15) 0.0628(10) Uani 1 1 d .
F7 F 0.6937(3) 0.09120(12) 0.01170(14) 0.0508(9) Uani 1 1 d .
F8 F 0.7895(3) 0.15852(13) -0.00419(13) 0.0494(8) Uani 1 1 d .
F9 F 0.8125(4) 0.12841(17) 0.06691(13) 0.0755(14) Uani 1 1 d .
F10 F 0.3213(3) 0.15183(16) -0.01911(15) 0.0666(12) Uani 1 1 d .
F11 F 0.2790(3) 0.23403(16) -0.00746(15) 0.0646(11) Uani 1 1 d .
F12 F 0.2895(3) 0.17704(17) 0.04854(13) 0.0614(11) Uani 1 1 d .
F13 F 0.9928(3) 0.20363(15) 0.14837(13) 0.0529(9) Uani 1 1 d .
F14 F 0.9939(3) 0.26663(16) 0.19863(15) 0.0617(10) Uani 1 1 d .
F15 F 0.9810(3) 0.18419(19) 0.21980(15) 0.0739(13) Uani 1 1 d .
F16 F 0.4770(2) 0.12747(12) 0.15526(12) 0.0402(7) Uani 1 1 d .
F17 F 0.6285(3) 0.08496(12) 0.18310(13) 0.0466(8) Uani 1 1 d .
F18 F 0.5628(3) 0.14286(14) 0.22665(11) 0.0500(9) Uani 1 1 d .
F19 F 0.8889(2) 0.34150(13) 0.38539(12) 0.0440(8) Uani 1 1 d .
F20 F 0.9010(3) 0.41452(17) 0.34644(15) 0.0666(11) Uani 1 1 d .
F21 F 0.8540(3) 0.41907(16) 0.41425(14) 0.0611(10) Uani 1 1 d .
F22 F 0.5776(4) 0.51624(13) 0.26821(14) 0.0657(11) Uani 1 1 d .
F23 F 0.5358(3) 0.45080(14) 0.21735(11) 0.0484(8) Uani 1 1 d .
F24 F 0.4160(3) 0.48101(13) 0.25559(13) 0.0511(9) Uani 1 1 d .
F25 F 0.5779(3) 0.50323(14) 0.46640(13) 0.0619(10) Uani 1 1 d .
F26 F 0.5751(3) 0.52479(13) 0.39431(14) 0.0559(9) Uani 1 1 d .
F27 F 0.4351(3) 0.54202(14) 0.42478(15) 0.0593(10) Uani 1 1 d .
F28 F 0.1314(3) 0.43376(18) 0.36991(17) 0.0770(13) Uani 1 1 d .
F29 F 0.1458(3) 0.3879(2) 0.30997(15) 0.0810(14) Uani 1 1 d .
F30 F 0.1451(3) 0.34725(19) 0.3752(2) 0.0875(15) Uani 1 1 d .
F31 F 0.9852(5) 0.4828(2) -0.0726(3) 0.127(2) Uani 1 1 d .
F32 F 0.9096(6) 0.5181(2) -0.1294(2) 0.149(3) Uani 1 1 d U
F33 F 0.8431(6) 0.5198(3) -0.0712(4) 0.211(4) Uani 1 1 d U
F34 F 0.4847(3) 0.4416(2) -0.17968(17) 0.0948(18) Uani 1 1 d .
F35 F 0.4710(3) 0.35496(19) -0.17079(18) 0.0868(16) Uani 1 1 d .
F36 F 0.4844(3) 0.40813(14) -0.11231(12) 0.0474(8) Uani 1 1 d .
F37 F 1.1933(3) 0.28936(13) -0.15815(19) 0.0710(13) Uani 1 1 d .
F38 F 1.2413(2) 0.36810(14) -0.17683(13) 0.0503(9) Uani 1 1 d .
F39 F 1.2076(3) 0.35521(19) -0.10795(13) 0.0666(11) Uani 1 1 d .
F40 F 0.9897(3) 0.50010(14) -0.24646(14) 0.0552(9) Uani 1 1 d .
F41 F 0.8696(4) 0.45616(17) -0.29579(15) 0.0860(16) Uani 1 1 d .
F42 F 0.8203(4) 0.50031(17) -0.2400(2) 0.0959(18) Uani 1 1 d .
O1 O 0.8585(3) 0.27494(13) -0.08277(11) 0.0262(7) Uani 1 1 d .
O2 O 0.7290(3) 0.33477(12) 0.04857(11) 0.0245(7) Uani 1 1 d .
O3 O 0.7027(3) 0.37770(12) 0.13342(11) 0.0250(7) Uani 1 1 d .
O4 O 0.5116(2) 0.36343(12) 0.06182(11) 0.0235(7) Uani 1 1 d .
O5 O 0.6941(3) 0.22207(12) 0.06001(11) 0.0241(7) Uani 1 1 d .
O6 O 0.4736(2) 0.25140(12) 0.05201(11) 0.0241(7) Uani 1 1 d .
O7 O 0.7900(2) 0.26695(13) 0.14924(11) 0.0253(7) Uani 1 1 d .
O8 O 0.5841(3) 0.21678(13) 0.14326(12) 0.0253(7) Uani 1 1 d .
O9 O 0.5310(3) 0.32410(13) 0.15782(11) 0.0246(7) Uani 1 1 d .
O10 O 0.4560(2) 0.26526(13) 0.30059(11) 0.0259(7) Uani 1 1 d .
O11 O 0.6719(2) 0.34373(12) 0.36166(11) 0.0234(7) Uani 1 1 d .
O12 O 0.4898(3) 0.39195(13) 0.30316(12) 0.0279(7) Uani 1 1 d .
O13 O 0.5423(3) 0.41309(14) 0.40823(12) 0.0319(8) Uani 1 1 d .
O14 O 0.3542(3) 0.34987(13) 0.36092(12) 0.0278(7) Uani 1 1 d .
O15 O 0.9892(2) 0.32130(12) -0.15689(11) 0.0238(7) Uani 1 1 d .
O16 O 0.8298(2) 0.39358(13) -0.21600(12) 0.0280(7) Uani 1 1 d .
O17 O 0.8831(3) 0.39829(13) -0.11479(12) 0.0300(7) Uani 1 1 d .
O18 O 0.6817(2) 0.34827(12) -0.15059(11) 0.0245(7) Uani 1 1 d .
N1 N 0.8568(3) 0.29215(14) -0.04096(14) 0.0218(8) Uani 1 1 d .
N2 N 0.7953(3) 0.32087(15) 0.02100(13) 0.0224(8) Uani 1 1 d .
N3 N 0.5321(3) 0.22294(15) -0.09733(13) 0.0204(8) Uani 1 1 d .
N4 N 0.4770(3) 0.30531(15) 0.18898(13) 0.0220(8) Uani 1 1 d .
N5 N 0.4415(3) 0.27749(16) 0.25642(14) 0.0236(8) Uani 1 1 d .
N6 N 0.7858(3) 0.23505(15) 0.30546(13) 0.0211(8) Uani 1 1 d .
C1 C 0.3358(4) 0.1916(2) 0.01277(19) 0.0343(12) Uani 1 1 d .
C2 C 0.4588(4) 0.20613(18) 0.03114(17) 0.0249(10) Uani 1 1 d .
C3 C 0.5385(4) 0.16860(19) 0.02358(17) 0.0285(10) Uani 1 1 d .
H3 H 0.5164 0.1357 0.0081 0.034 Uiso 1 1 calc R
C4 C 0.6513(4) 0.17997(18) 0.03899(17) 0.0244(10) Uani 1 1 d .
C5 C 0.7360(4) 0.1382(2) 0.02823(18) 0.0317(11) Uani 1 1 d .
C6 C 0.7611(4) 0.4666(2) 0.1555(2) 0.0408(13) Uani 1 1 d .
C7 C 0.6771(4) 0.4266(2) 0.12589(18) 0.0292(11) Uani 1 1 d .
C8 C 0.5862(4) 0.4486(2) 0.09370(19) 0.0333(11) Uani 1 1 d .
H8 H 0.5769 0.4865 0.0915 0.040 Uiso 1 1 calc R
C9 C 0.5105(4) 0.41472(18) 0.06525(17) 0.0260(10) Uani 1 1 d .
C10 C 0.4109(5) 0.4402(2) 0.03137(19) 0.0369(12) Uani 1 1 d .
C11 C 0.5775(4) 0.1329(2) 0.18264(18) 0.0312(11) Uani 1 1 d .
C12 C 0.6422(4) 0.18006(18) 0.16572(16) 0.0248(10) Uani 1 1 d .
C13 C 0.7574(4) 0.17864(19) 0.17890(17) 0.0268(10) Uani 1 1 d .
H13 H 0.7920 0.1477 0.1943 0.032 Uiso 1 1 calc R
C14 C 0.8220(4) 0.2226(2) 0.16952(16) 0.0264(10) Uani 1 1 d .
C15 C 0.9476(4) 0.2176(2) 0.18486(19) 0.0328(11) Uani 1 1 d .
C16 C 0.4447(4) 0.25205(18) -0.08958(16) 0.0244(10) Uani 1 1 d .
H16 H 0.3736 0.2410 -0.1045 0.029 Uiso 1 1 calc R
C17 C 0.4559(4) 0.29734(18) -0.06066(17) 0.0267(10) Uani 1 1 d .
H17 H 0.3932 0.3163 -0.0562 0.032 Uiso 1 1 calc R
C18 C 0.5604(4) 0.31488(19) -0.03822(16) 0.0241(9) Uani 1 1 d .
H18 H 0.5696 0.3458 -0.0188 0.029 Uiso 1 1 calc R
C19 C 0.6520(4) 0.28449(17) -0.04565(15) 0.0204(9) Uani 1 1 d .
C20 C 0.6343(3) 0.23947(18) -0.07548(15) 0.0214(9) Uani 1 1 d .
H20 H 0.6954 0.2198 -0.0807 0.026 Uiso 1 1 calc R
C21 C 0.7653(4) 0.29894(17) -0.02232(16) 0.0212(9) Uani 1 1 d .
C22 C 0.9619(4) 0.3013(2) -0.00368(17) 0.0271(10) Uani 1 1 d .
C23 C 0.9988(4) 0.2449(2) 0.01653(19) 0.0355(12) Uani 1 1 d .
H23A H 0.9439 0.2303 0.0325 0.053 Uiso 1 1 calc R
H23B H 1.0685 0.2482 0.0387 0.053 Uiso 1 1 calc R
H23C H 1.0072 0.2208 -0.0089 0.053 Uiso 1 1 calc R
C24 C 1.0508(4) 0.3274(2) -0.02628(18) 0.0346(12) Uani 1 1 d .
H24A H 1.0697 0.3028 -0.0495 0.052 Uiso 1 1 calc R
H24B H 1.1157 0.3347 -0.0021 0.052 Uiso 1 1 calc R
H24C H 1.0232 0.3611 -0.0415 0.052 Uiso 1 1 calc R
C25 C 0.9153(4) 0.3387(2) 0.03149(17) 0.0287(10) Uani 1 1 d .
C26 C 0.9122(5) 0.3997(2) 0.0187(2) 0.0407(13) Uani 1 1 d .
H26A H 0.8788 0.4042 -0.0144 0.061 Uiso 1 1 calc R
H26B H 0.9865 0.4140 0.0248 0.061 Uiso 1 1 calc R
H26C H 0.8692 0.4191 0.0378 0.061 Uiso 1 1 calc R
C27 C 0.9655(4) 0.3305(3) 0.08390(19) 0.0435(14) Uani 1 1 d .
H27A H 0.9261 0.3524 0.1027 0.065 Uiso 1 1 calc R
H27B H 1.0422 0.3412 0.0902 0.065 Uiso 1 1 calc R
H27C H 0.9601 0.2925 0.0920 0.065 Uiso 1 1 calc R
C28 C 0.8603(4) 0.27121(18) 0.29542(16) 0.0235(9) Uani 1 1 d .
H28 H 0.9349 0.2665 0.3095 0.028 Uiso 1 1 calc R
C29 C 0.8301(4) 0.31496(19) 0.26507(17) 0.0251(10) Uani 1 1 d .
H29 H 0.8838 0.3394 0.2593 0.030 Uiso 1 1 calc R
C30 C 0.7197(4) 0.32251(18) 0.24319(16) 0.0225(9) Uani 1 1 d .
H30 H 0.6983 0.3513 0.2219 0.027 Uiso 1 1 calc R
C31 C 0.6778(4) 0.24305(18) 0.28540(16) 0.0222(9) Uani 1 1 d .
H31 H 0.6253 0.2190 0.2930 0.027 Uiso 1 1 calc R
C32 C 0.6419(4) 0.28571(18) 0.25398(16) 0.0204(9) Uani 1 1 d .
C33 C 0.5234(4) 0.28962(17) 0.23311(16) 0.0204(9) Uani 1 1 d .
C34 C 0.3281(3) 0.2764(2) 0.22439(17) 0.0262(10) Uani 1 1 d .
C35 C 0.2469(4) 0.3059(2) 0.24903(19) 0.0366(12) Uani 1 1 d .
H35A H 0.2336 0.2839 0.2751 0.055 Uiso 1 1 calc R
H35B H 0.1782 0.3118 0.2267 0.055 Uiso 1 1 calc R
H35C H 0.2776 0.3406 0.2609 0.055 Uiso 1 1 calc R
C36 C 0.2979(4) 0.2161(2) 0.2166(2) 0.0382(12) Uani 1 1 d .
H36A H 0.3536 0.1979 0.2032 0.057 Uiso 1 1 calc R
H36B H 0.2272 0.2129 0.1951 0.057 Uiso 1 1 calc R
H36C H 0.2940 0.1994 0.2465 0.057 Uiso 1 1 calc R
C37 C 0.3525(4) 0.3068(2) 0.17915(17) 0.0276(10) Uani 1 1 d .
C38 C 0.3085(4) 0.2785(3) 0.13240(18) 0.0417(13) Uani 1 1 d .
H38A H 0.3276 0.2995 0.1069 0.062 Uiso 1 1 calc R
H38B H 0.2292 0.2753 0.1275 0.062 Uiso 1 1 calc R
H38C H 0.3408 0.2425 0.1329 0.062 Uiso 1 1 calc R
C39 C 0.3188(4) 0.3673(2) 0.1761(2) 0.0437(14) Uani 1 1 d .
H39A H 0.3555 0.3860 0.2045 0.066 Uiso 1 1 calc R
H39B H 0.2398 0.3702 0.1731 0.066 Uiso 1 1 calc R
H39C H 0.3399 0.3838 0.1489 0.066 Uiso 1 1 calc R
C40 C 0.9001(4) 0.4696(2) -0.2500(2) 0.0394(13) Uani 1 1 d .
C41 C 0.9164(4) 0.41808(19) -0.21893(17) 0.0273(10) Uani 1 1 d .
C42 C 1.0261(4) 0.40282(19) -0.19775(17) 0.0263(10) Uani 1 1 d .
H42 H 1.0839 0.4255 -0.2021 0.032 Uiso 1 1 calc R
C43 C 1.0517(3) 0.35602(19) -0.17099(16) 0.0232(9) Uani 1 1 d .
C44 C 1.1742(4) 0.3423(2) -0.1533(2) 0.0330(12) Uani 1 1 d .
C45 C 0.5192(4) 0.3998(2) -0.15251(19) 0.0329(11) Uani 1 1 d .
C46 C 0.6459(4) 0.39539(19) -0.14347(17) 0.0266(10) Uani 1 1 d .
C47 C 0.7076(4) 0.4418(2) -0.1269(2) 0.0369(12) Uani 1 1 d .
H47 H 0.6715 0.4749 -0.1246 0.044 Uiso 1 1 calc R
C48 C 0.8848(5) 0.4915(2) -0.0965(2) 0.0441(15) Uani 1 1 d .
C49 C 0.5222(5) 0.4701(2) 0.2599(2) 0.0369(12) Uani 1 1 d .
C50 C 0.5631(4) 0.42672(18) 0.29795(17) 0.0281(10) Uani 1 1 d .
C51 C 0.6732(4) 0.42810(19) 0.32086(18) 0.0302(11) Uani 1 1 d .
H51 H 0.7167 0.4580 0.3162 0.036 Uiso 1 1 calc R
C52 C 0.7201(4) 0.38620(19) 0.35043(16) 0.0255(10) Uani 1 1 d .
C53 C 0.8428(4) 0.3903(2) 0.37462(19) 0.0329(11) Uani 1 1 d .
C54 C 0.1820(5) 0.3909(3) 0.3562(2) 0.0471(15) Uani 1 1 d .
C55 C 0.3083(4) 0.3939(2) 0.37028(18) 0.0319(11) Uani 1 1 d .
C56 C 0.3544(4) 0.4422(2) 0.38916(19) 0.0343(11) Uani 1 1 d .
H56 H 0.3079 0.4720 0.3907 0.041 Uiso 1 1 calc R
C57 C 0.4689(4) 0.4486(2) 0.40623(18) 0.0317(11) Uani 1 1 d .
C58 C 0.5136(5) 0.5051(2) 0.4238(2) 0.0429(13) Uani 1 1 d .
C59 C 0.8230(4) 0.4393(2) -0.11368(18) 0.0311(11) Uani 1 1 d .
C60 C 1.1739(7) 0.0756(3) 0.1941(3) 0.070(2) Uani 1 1 d .
H60A H 1.1609 0.0375 0.1994 0.105 Uiso 1 1 calc R
H60B H 1.1153 0.0972 0.2023 0.105 Uiso 1 1 calc R
H60C H 1.2437 0.0865 0.2135 0.105 Uiso 1 1 calc R
C61 C 1.1766(6) 0.0846(3) 0.1419(3) 0.0644(19) Uani 1 1 d .
H61A H 1.1910 0.1230 0.1368 0.077 Uiso 1 1 calc R
H61B H 1.2367 0.0633 0.1339 0.077 Uiso 1 1 calc R
C62 C 1.0701(6) 0.0684(3) 0.1101(3) 0.070(2) Uani 1 1 d .
H62A H 1.0100 0.0876 0.1202 0.084 Uiso 1 1 calc R
H62B H 1.0588 0.0294 0.1141 0.084 Uiso 1 1 calc R
C63 C 1.0626(6) 0.0797(3) 0.0573(3) 0.065(2) Uani 1 1 d .
H63A H 0.9888 0.0698 0.0401 0.078 Uiso 1 1 calc R
H63B H 1.0718 0.1188 0.0530 0.078 Uiso 1 1 calc R
C64 C 1.1458(6) 0.0499(3) 0.0354(3) 0.0642(19) Uani 1 1 d .
H64A H 1.1445 0.0113 0.0437 0.077 Uiso 1 1 calc R
H64B H 1.2193 0.0639 0.0491 0.077 Uiso 1 1 calc R
C65 C 1.1265(7) 0.0550(4) -0.0185(3) 0.081(2) Uani 1 1 d .
H65A H 1.0572 0.0379 -0.0327 0.121 Uiso 1 1 calc R
H65B H 1.1858 0.0372 -0.0297 0.121 Uiso 1 1 calc R
H65C H 1.1242 0.0931 -0.0272 0.121 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 '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'
F F 0.0171 0.0103 '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
O7 Dy1 O4 149.75(11) . .
O7 Dy1 O6 136.94(11) . .
O4 Dy1 O6 73.12(10) . .
O7 Dy1 O9 99.23(11) . .
O4 Dy1 O9 76.34(11) . .
O6 Dy1 O9 95.83(11) . .
O7 Dy1 O5 74.32(11) . .
O4 Dy1 O5 123.62(11) . .
O6 Dy1 O5 72.64(11) . .
O9 Dy1 O5 150.03(11) . .
O7 Dy1 O2 89.26(11) . .
O4 Dy1 O2 75.38(11) . .
O6 Dy1 O2 106.64(11) . .
O9 Dy1 O2 136.50(11) . .
O5 Dy1 O2 73.33(11) . .
O7 Dy1 O3 76.92(11) . .
O4 Dy1 O3 73.45(11) . .
O6 Dy1 O3 145.96(11) . .
O9 Dy1 O3 70.06(11) . .
O5 Dy1 O3 133.55(11) . .
O2 Dy1 O3 70.60(10) . .
O7 Dy1 O8 73.22(11) . .
O4 Dy1 O8 130.55(11) . .
O6 Dy1 O8 73.79(11) . .
O9 Dy1 O8 71.63(11) . .
O5 Dy1 O8 78.54(12) . .
O2 Dy1 O8 150.05(11) . .
O3 Dy1 O8 125.96(11) . .
O15 Cu1 O18 176.52(13) . .
O15 Cu1 O17 87.38(13) . .
O18 Cu1 O17 89.21(13) . .
O15 Cu1 N6 92.52(14) . 4_565
O18 Cu1 N6 90.87(13) . 4_565
O17 Cu1 N6 178.02(15) . 4_565
O15 Cu1 O16 86.97(12) . .
O18 Cu1 O16 93.33(12) . .
O17 Cu1 O16 83.50(13) . .
N6 Cu1 O16 98.47(13) 4_565 .
O15 Cu1 O1 89.30(12) . .
O18 Cu1 O1 90.00(12) . .
O17 Cu1 O1 89.84(13) . .
N6 Cu1 O1 88.18(13) 4_565 .
O16 Cu1 O1 172.51(11) . .
O14 Cu2 O11 171.99(14) . .
O14 Cu2 O12 89.62(13) . .
O11 Cu2 O12 89.13(13) . .
O14 Cu2 N3 93.33(14) . 4_566
O11 Cu2 N3 89.82(13) . 4_566
O12 Cu2 N3 165.68(14) . 4_566
O14 Cu2 O13 86.77(13) . .
O11 Cu2 O13 85.33(13) . .
O12 Cu2 O13 90.58(13) . .
N3 Cu2 O13 103.56(14) 4_566 .
O14 Cu2 O10 87.64(12) . .
O11 Cu2 O10 100.19(12) . .
O12 Cu2 O10 86.95(12) . .
N3 Cu2 O10 79.19(13) 4_566 .
O13 Cu2 O10 173.90(11) . .
N1 O1 Cu1 125.3(3) . .
N2 O2 Dy1 139.7(3) . .
C7 O3 Dy1 133.9(3) . .
C9 O4 Dy1 134.7(3) . .
C4 O5 Dy1 133.8(3) . .
C2 O6 Dy1 134.2(3) . .
C14 O7 Dy1 133.0(3) . .
C12 O8 Dy1 133.0(3) . .
N4 O9 Dy1 141.0(3) . .
N5 O10 Cu2 116.8(3) . .
C52 O11 Cu2 122.0(3) . .
C50 O12 Cu2 121.6(3) . .
C57 O13 Cu2 119.1(3) . .
C55 O14 Cu2 125.3(3) . .
C43 O15 Cu1 125.1(3) . .
C41 O16 Cu1 118.6(3) . .
C59 O17 Cu1 123.2(3) . .
C46 O18 Cu1 123.9(3) . .
O1 N1 C21 126.1(4) . .
O1 N1 C22 122.4(4) . .
C21 N1 C22 111.2(4) . .
O2 N2 C21 126.0(4) . .
O2 N2 C25 121.2(4) . .
C21 N2 C25 111.9(4) . .
C16 N3 C20 117.9(4) . .
C16 N3 Cu2 121.2(3) . 4_565
C20 N3 Cu2 120.9(3) . 4_565
O9 N4 C33 125.0(4) . .
O9 N4 C37 120.6(4) . .
C33 N4 C37 114.0(4) . .
O10 N5 C33 125.2(4) . .
O10 N5 C34 121.5(3) . .
C33 N5 C34 113.2(4) . .
C28 N6 C31 118.0(4) . .
C28 N6 Cu1 121.3(3) . 4_566
C31 N6 Cu1 120.5(3) . 4_566
F11 C1 F10 106.8(4) . .
F11 C1 F12 106.2(5) . .
F10 C1 F12 108.8(4) . .
F11 C1 C2 111.5(4) . .
F10 C1 C2 112.9(4) . .
F12 C1 C2 110.3(4) . .
O6 C2 C3 128.1(4) . .
O6 C2 C1 113.8(4) . .
C3 C2 C1 118.1(4) . .
C2 C3 C4 120.5(4) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
O5 C4 C3 127.4(4) . .
O5 C4 C5 114.0(4) . .
C3 C4 C5 118.5(4) . .
F7 C5 F9 108.0(4) . .
F7 C5 F8 106.8(4) . .
F9 C5 F8 106.5(5) . .
F7 C5 C4 114.7(4) . .
F9 C5 C4 110.3(4) . .
F8 C5 C4 110.2(4) . .
F3 C6 F2 109.6(5) . .
F3 C6 F1 106.5(5) . .
F2 C6 F1 105.5(5) . .
F3 C6 C7 114.1(5) . .
F2 C6 C7 110.2(4) . .
F1 C6 C7 110.5(5) . .
O3 C7 C8 128.5(5) . .
O3 C7 C6 113.3(4) . .
C8 C7 C6 118.1(4) . .
C9 C8 C7 120.6(4) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
O4 C9 C8 128.8(5) . .
O4 C9 C10 112.0(4) . .
C8 C9 C10 119.2(4) . .
F4 C10 F5 106.8(4) . .
F4 C10 F6 107.5(4) . .
F5 C10 F6 106.3(5) . .
F4 C10 C9 114.2(5) . .
F5 C10 C9 111.4(4) . .
F6 C10 C9 110.2(4) . .
F16 C11 F17 107.4(4) . .
F16 C11 F18 106.7(4) . .
F17 C11 F18 107.9(4) . .
F16 C11 C12 111.6(4) . .
F17 C11 C12 112.8(4) . .
F18 C11 C12 110.1(4) . .
O8 C12 C13 127.3(4) . .
O8 C12 C11 115.1(4) . .
C13 C12 C11 117.6(4) . .
C12 C13 C14 121.2(4) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
O7 C14 C13 128.1(4) . .
O7 C14 C15 114.0(4) . .
C13 C14 C15 117.9(4) . .
F15 C15 F13 109.4(5) . .
F15 C15 F14 106.5(5) . .
F13 C15 F14 103.8(4) . .
F15 C15 C14 114.6(4) . .
F13 C15 C14 111.0(4) . .
F14 C15 C14 110.9(4) . .
N3 C16 C17 122.7(4) . .
N3 C16 H16 118.6 . .
C17 C16 H16 118.6 . .
C16 C17 C18 119.9(4) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C19 117.8(4) . .
C17 C18 H18 121.1 . .
C19 C18 H18 121.1 . .
C20 C19 C18 119.0(4) . .
C20 C19 C21 119.3(4) . .
C18 C19 C21 121.7(4) . .
N3 C20 C19 122.6(4) . .
N3 C20 H20 118.7 . .
C19 C20 H20 118.7 . .
N2 C21 N1 109.0(4) . .
N2 C21 C19 125.3(4) . .
N1 C21 C19 125.7(4) . .
N1 C22 C24 110.2(4) . .
N1 C22 C23 106.2(4) . .
C24 C22 C23 110.8(4) . .
N1 C22 C25 99.8(4) . .
C24 C22 C25 115.2(4) . .
C23 C22 C25 113.7(4) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N2 C25 C27 109.9(4) . .
N2 C25 C26 104.9(4) . .
C27 C25 C26 110.6(4) . .
N2 C25 C22 100.3(3) . .
C27 C25 C22 115.9(4) . .
C26 C25 C22 114.1(4) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N6 C28 C29 122.4(4) . .
N6 C28 H28 118.8 . .
C29 C28 H28 118.8 . .
C28 C29 C30 120.0(4) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C32 117.9(4) . .
C29 C30 H30 121.0 . .
C32 C30 H30 121.0 . .
N6 C31 C32 122.6(4) . .
N6 C31 H31 118.7 . .
C32 C31 H31 118.7 . .
C31 C32 C30 119.0(4) . .
C31 C32 C33 118.2(4) . .
C30 C32 C33 122.8(4) . .
N4 C33 N5 108.4(4) . .
N4 C33 C32 127.2(4) . .
N5 C33 C32 124.5(4) . .
N5 C34 C35 108.9(4) . .
N5 C34 C36 105.9(4) . .
C35 C34 C36 111.2(4) . .
N5 C34 C37 100.6(3) . .
C35 C34 C37 114.6(4) . .
C36 C34 C37 114.6(4) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N4 C37 C38 108.7(4) . .
N4 C37 C39 106.8(4) . .
C38 C37 C39 110.4(4) . .
N4 C37 C34 101.2(3) . .
C38 C37 C34 115.0(4) . .
C39 C37 C34 113.8(4) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
F42 C40 F40 108.2(5) . .
F42 C40 F41 106.6(5) . .
F40 C40 F41 106.0(5) . .
F42 C40 C41 110.8(5) . .
F40 C40 C41 114.3(4) . .
F41 C40 C41 110.5(4) . .
O16 C41 C42 127.1(5) . .
O16 C41 C40 115.1(4) . .
C42 C41 C40 117.8(4) . .
C43 C42 C41 123.2(4) . .
C43 C42 H42 118.4 . .
C41 C42 H42 118.4 . .
O15 C43 C42 130.5(4) . .
O15 C43 C44 111.8(4) . .
C42 C43 C44 117.7(4) . .
F39 C44 F37 108.0(5) . .
F39 C44 F38 106.7(4) . .
F37 C44 F38 105.5(4) . .
F39 C44 C43 111.1(4) . .
F37 C44 C43 111.4(4) . .
F38 C44 C43 113.8(4) . .
F34 C45 F35 110.6(5) . .
F34 C45 F36 106.2(4) . .
F35 C45 F36 106.1(4) . .
F34 C45 C46 110.6(4) . .
F35 C45 C46 111.9(4) . .
F36 C45 C46 111.3(4) . .
O18 C46 C47 127.7(4) . .
O18 C46 C45 114.5(4) . .
C47 C46 C45 117.8(4) . .
C46 C47 C59 120.8(4) . .
C46 C47 H47 119.6 . .
C59 C47 H47 119.6 . .
F33 C48 F32 111.5(8) . .
F33 C48 F31 104.6(7) . .
F32 C48 F31 97.5(6) . .
F33 C48 C59 115.7(5) . .
F32 C48 C59 112.5(5) . .
F31 C48 C59 113.3(5) . .
F22 C49 F24 108.2(4) . .
F22 C49 F23 107.9(4) . .
F24 C49 F23 107.1(4) . .
F22 C49 C50 112.3(4) . .
F24 C49 C50 112.4(4) . .
F23 C49 C50 108.7(4) . .
O12 C50 C51 127.8(4) . .
O12 C50 C49 114.1(4) . .
C51 C50 C49 118.1(4) . .
C52 C51 C50 121.5(4) . .
C52 C51 H51 119.3 . .
C50 C51 H51 119.3 . .
O11 C52 C51 127.1(4) . .
O11 C52 C53 114.1(4) . .
C51 C52 C53 118.7(4) . .
F21 C53 F19 108.2(4) . .
F21 C53 F20 108.4(4) . .
F19 C53 F20 106.5(4) . .
F21 C53 C52 110.1(4) . .
F19 C53 C52 112.4(4) . .
F20 C53 C52 111.1(4) . .
F29 C54 F28 105.4(5) . .
F29 C54 F30 107.4(6) . .
F28 C54 F30 107.0(5) . .
F29 C54 C55 112.7(5) . .
F28 C54 C55 113.7(5) . .
F30 C54 C55 110.3(5) . .
O14 C55 C56 130.2(5) . .
O14 C55 C54 112.3(5) . .
C56 C55 C54 117.5(4) . .
C55 C56 C57 122.5(4) . .
C55 C56 H56 118.7 . .
C57 C56 H56 118.7 . .
O13 C57 C56 127.4(5) . .
O13 C57 C58 113.7(5) . .
C56 C57 C58 118.8(4) . .
F25 C58 F27 107.9(5) . .
F25 C58 F26 106.9(5) . .
F27 C58 F26 106.2(5) . .
F25 C58 C57 112.5(5) . .
F27 C58 C57 113.9(5) . .
F26 C58 C57 109.0(4) . .
O17 C59 C47 127.2(5) . .
O17 C59 C48 114.9(5) . .
C47 C59 C48 117.9(5) . .
C61 C60 H60A 109.5 . .
C61 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C61 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C62 C61 C60 111.8(6) . .
C62 C61 H61A 109.3 . .
C60 C61 H61A 109.3 . .
C62 C61 H61B 109.3 . .
C60 C61 H61B 109.3 . .
H61A C61 H61B 107.9 . .
C61 C62 C63 115.3(7) . .
C61 C62 H62A 108.4 . .
C63 C62 H62A 108.4 . .
C61 C62 H62B 108.4 . .
C63 C62 H62B 108.4 . .
H62A C62 H62B 107.5 . .
C64 C63 C62 115.0(6) . .
C64 C63 H63A 108.5 . .
C62 C63 H63A 108.5 . .
C64 C63 H63B 108.5 . .
C62 C63 H63B 108.5 . .
H63A C63 H63B 107.5 . .
C63 C64 C65 114.2(7) . .
C63 C64 H64A 108.7 . .
C65 C64 H64A 108.7 . .
C63 C64 H64B 108.7 . .
C65 C64 H64B 108.7 . .
H64A C64 H64B 107.6 . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O7 2.305(3) .
Dy1 O4 2.327(3) .
Dy1 O6 2.329(3) .
Dy1 O9 2.331(3) .
Dy1 O5 2.345(3) .
Dy1 O2 2.359(3) .
Dy1 O3 2.365(3) .
Dy1 O8 2.364(3) .
Cu1 O15 1.935(3) .
Cu1 O18 1.947(3) .
Cu1 O17 1.985(3) .
Cu1 N6 2.026(4) 4_565
Cu1 O16 2.273(3) .
Cu1 O1 2.483(3) .
Cu2 O14 1.957(3) .
Cu2 O11 1.958(3) .
Cu2 O12 1.985(3) .
Cu2 N3 2.000(4) 4_566
Cu2 O13 2.220(3) .
Cu2 O10 2.506(3) .
F1 C6 1.330(7) .
F2 C6 1.319(6) .
F3 C6 1.302(6) .
F4 C10 1.328(6) .
F5 C10 1.331(6) .
F6 C10 1.339(7) .
F7 C5 1.306(6) .
F8 C5 1.339(6) .
F9 C5 1.319(6) .
F10 C1 1.319(6) .
F11 C1 1.314(6) .
F12 C1 1.321(6) .
F13 C15 1.327(6) .
F14 C15 1.346(6) .
F15 C15 1.291(6) .
F16 C11 1.327(6) .
F17 C11 1.324(6) .
F18 C11 1.334(6) .
F19 C53 1.325(6) .
F20 C53 1.323(6) .
F21 C53 1.318(6) .
F22 C49 1.311(6) .
F23 C49 1.349(6) .
F24 C49 1.313(6) .
F25 C58 1.311(7) .
F26 C58 1.336(7) .
F27 C58 1.325(6) .
F28 C54 1.316(7) .
F29 C54 1.310(7) .
F30 C54 1.318(8) .
F31 C48 1.301(8) .
F32 C48 1.234(8) .
F33 C48 1.192(7) .
F34 C45 1.299(6) .
F35 C45 1.300(6) .
F36 C45 1.325(6) .
F37 C44 1.322(6) .
F38 C44 1.327(6) .
F39 C44 1.320(6) .
F40 C40 1.316(6) .
F41 C40 1.330(7) .
F42 C40 1.313(7) .
O1 N1 1.275(5) .
O2 N2 1.293(5) .
O3 C7 1.239(6) .
O4 C9 1.254(5) .
O5 C4 1.249(6) .
O6 C2 1.250(5) .
O7 C14 1.251(6) .
O8 C12 1.240(6) .
O9 N4 1.302(5) .
O10 N5 1.278(5) .
O11 C52 1.267(6) .
O12 C50 1.269(6) .
O13 C57 1.242(6) .
O14 C55 1.267(6) .
O15 C43 1.264(5) .
O16 C41 1.239(5) .
O17 C59 1.247(6) .
O18 C46 1.261(5) .
N1 C21 1.352(6) .
N1 C22 1.514(6) .
N2 C21 1.333(6) .
N2 C25 1.509(6) .
N3 C16 1.345(6) .
N3 C20 1.345(5) .
N3 Cu2 2.000(4) 4_565
N4 C33 1.333(6) .
N4 C37 1.499(5) .
N5 C33 1.352(6) .
N5 C34 1.505(5) .
N6 C28 1.344(6) .
N6 C31 1.349(5) .
N6 Cu1 2.026(4) 4_566
C1 C2 1.537(6) .
C2 C3 1.390(7) .
C3 C4 1.395(7) .
C3 H3 0.9300 .
C4 C5 1.533(6) .
C6 C7 1.542(7) .
C7 C8 1.402(7) .
C8 C9 1.380(7) .
C8 H8 0.9300 .
C9 C10 1.529(7) .
C11 C12 1.533(7) .
C12 C13 1.389(6) .
C13 C14 1.393(7) .
C13 H13 0.9300 .
C14 C15 1.522(6) .
C16 C17 1.370(6) .
C16 H16 0.9300 .
C17 C18 1.381(7) .
C17 H17 0.9300 .
C18 C19 1.400(6) .
C18 H18 0.9300 .
C19 C20 1.381(6) .
C19 C21 1.460(6) .
C20 H20 0.9300 .
C22 C24 1.521(7) .
C22 C23 1.524(7) .
C22 C25 1.554(7) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C27 1.516(7) .
C25 C26 1.528(7) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.378(7) .
C28 H28 0.9300 .
C29 C30 1.385(6) .
C29 H29 0.9300 .
C30 C32 1.393(6) .
C30 H30 0.9300 .
C31 C32 1.387(6) .
C31 H31 0.9300 .
C32 C33 1.459(6) .
C34 C35 1.517(7) .
C34 C36 1.521(7) .
C34 C37 1.576(7) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.506(7) .
C37 C39 1.529(7) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 C41 1.528(7) .
C41 C42 1.410(6) .
C42 C43 1.374(7) .
C42 H42 0.9300 .
C43 C44 1.525(6) .
C45 C46 1.530(6) .
C46 C47 1.391(7) .
C47 C59 1.392(7) .
C47 H47 0.9300 .
C48 C59 1.510(7) .
C49 C50 1.529(7) .
C50 C51 1.378(7) .
C51 C52 1.376(7) .
C51 H51 0.9300 .
C52 C53 1.529(6) .
C54 C55 1.524(7) .
C55 C56 1.368(8) .
C56 C57 1.402(7) .
C56 H56 0.9300 .
C57 C58 1.529(8) .
C60 C61 1.520(10) .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C61 C62 1.487(10) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 C63 1.523(11) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C63 C64 1.494(10) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C64 C65 1.521(11) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O15 Cu1 O1 N1 110.5(3) .
O18 Cu1 O1 N1 -66.1(3) .
O17 Cu1 O1 N1 23.1(3) .
N6 Cu1 O1 N1 -157.0(3) 4_565
O16 Cu1 O1 N1 50.4(10) .
O7 Dy1 O2 N2 64.9(4) .
O4 Dy1 O2 N2 -141.5(4) .
O6 Dy1 O2 N2 -74.5(4) .
O9 Dy1 O2 N2 167.5(4) .
O5 Dy1 O2 N2 -9.0(4) .
O3 Dy1 O2 N2 141.2(4) .
O8 Dy1 O2 N2 11.8(5) .
O7 Dy1 O3 C7 172.5(4) .
O4 Dy1 O3 C7 -1.4(4) .
O6 Dy1 O3 C7 -12.6(5) .
O9 Dy1 O3 C7 -82.5(4) .
O5 Dy1 O3 C7 119.6(4) .
O2 Dy1 O3 C7 78.6(4) .
O8 Dy1 O3 C7 -129.8(4) .
O7 Dy1 O4 C9 -13.3(5) .
O6 Dy1 O4 C9 172.1(4) .
O9 Dy1 O4 C9 71.6(4) .
O5 Dy1 O4 C9 -133.1(4) .
O2 Dy1 O4 C9 -75.0(4) .
O3 Dy1 O4 C9 -1.3(4) .
O8 Dy1 O4 C9 122.2(4) .
O7 Dy1 O5 C4 133.2(4) .
O4 Dy1 O5 C4 -73.8(4) .
O6 Dy1 O5 C4 -18.8(4) .
O9 Dy1 O5 C4 52.0(5) .
O2 Dy1 O5 C4 -132.8(4) .
O3 Dy1 O5 C4 -173.0(4) .
O8 Dy1 O5 C4 57.6(4) .
O7 Dy1 O6 C2 -24.5(5) .
O4 Dy1 O6 C2 151.5(4) .
O9 Dy1 O6 C2 -134.7(4) .
O5 Dy1 O6 C2 17.0(4) .
O2 Dy1 O6 C2 83.0(4) .
O3 Dy1 O6 C2 162.8(4) .
O8 Dy1 O6 C2 -65.8(4) .
O4 Dy1 O7 C14 167.7(4) .
O6 Dy1 O7 C14 -19.9(5) .
O9 Dy1 O7 C14 89.1(4) .
O5 Dy1 O7 C14 -60.9(4) .
O2 Dy1 O7 C14 -133.8(4) .
O3 Dy1 O7 C14 155.9(4) .
O8 Dy1 O7 C14 21.5(4) .
O7 Dy1 O8 C12 -18.4(4) .
O4 Dy1 O8 C12 -176.7(4) .
O6 Dy1 O8 C12 133.6(4) .
O9 Dy1 O8 C12 -124.4(4) .
O5 Dy1 O8 C12 58.5(4) .
O2 Dy1 O8 C12 38.2(5) .
O3 Dy1 O8 C12 -77.7(4) .
O7 Dy1 O9 N4 -77.2(4) .
O4 Dy1 O9 N4 133.3(4) .
O6 Dy1 O9 N4 62.3(4) .
O5 Dy1 O9 N4 -2.6(5) .
O2 Dy1 O9 N4 -176.0(4) .
O3 Dy1 O9 N4 -149.6(4) .
O8 Dy1 O9 N4 -8.4(4) .
O14 Cu2 O10 N5 95.7(3) .
O11 Cu2 O10 N5 -82.6(3) .
O12 Cu2 O10 N5 5.9(3) .
N3 Cu2 O10 N5 -170.5(3) 4_566
O13 Cu2 O10 N5 72.1(12) .
O14 Cu2 O11 C52 -47.4(11) .
O12 Cu2 O11 C52 33.6(4) .
N3 Cu2 O11 C52 -160.7(4) 4_566
O13 Cu2 O11 C52 -57.0(3) .
O10 Cu2 O11 C52 120.4(3) .
O14 Cu2 O12 C50 142.1(4) .
O11 Cu2 O12 C50 -30.0(4) .
N3 Cu2 O12 C50 -115.8(6) 4_566
O13 Cu2 O12 C50 55.4(4) .
O10 Cu2 O12 C50 -130.2(4) .
O14 Cu2 O13 C57 -30.2(4) .
O11 Cu2 O13 C57 148.5(4) .
O12 Cu2 O13 C57 59.4(4) .
N3 Cu2 O13 C57 -122.8(4) 4_566
O10 Cu2 O13 C57 -6.6(13) .
O11 Cu2 O14 C55 15.4(12) .
O12 Cu2 O14 C55 -65.6(4) .
N3 Cu2 O14 C55 128.4(4) 4_566
O13 Cu2 O14 C55 25.0(4) .
O10 Cu2 O14 C55 -152.6(4) .
O18 Cu1 O15 C43 -68(2) .
O17 Cu1 O15 C43 -56.5(4) .
N6 Cu1 O15 C43 125.5(4) 4_565
O16 Cu1 O15 C43 27.1(3) .
O1 Cu1 O15 C43 -146.4(3) .
O15 Cu1 O16 C41 -28.8(3) .
O18 Cu1 O16 C41 147.7(3) .
O17 Cu1 O16 C41 58.9(3) .
N6 Cu1 O16 C41 -120.9(3) 4_565
O1 Cu1 O16 C41 31.4(10) .
O15 Cu1 O17 C59 151.7(4) .
O18 Cu1 O17 C59 -29.0(4) .
N6 Cu1 O17 C59 -121(4) 4_565
O16 Cu1 O17 C59 64.4(4) .
O1 Cu1 O17 C59 -119.0(4) .
O15 Cu1 O18 C46 38(2) .
O17 Cu1 O18 C46 26.6(4) .
N6 Cu1 O18 C46 -155.4(4) 4_565
O16 Cu1 O18 C46 -56.9(4) .
O1 Cu1 O18 C46 116.4(4) .
Cu1 O1 N1 C21 86.2(5) .
Cu1 O1 N1 C22 -101.2(4) .
Dy1 O2 N2 C21 77.6(6) .
Dy1 O2 N2 C25 -114.9(4) .
Dy1 O9 N4 C33 85.4(6) .
Dy1 O9 N4 C37 -102.9(5) .
Cu2 O10 N5 C33 72.4(5) .
Cu2 O10 N5 C34 -111.2(4) .
Dy1 O6 C2 C3 -12.3(8) .
Dy1 O6 C2 C1 166.8(3) .
F11 C1 C2 O6 43.4(6) .
F10 C1 C2 O6 163.6(4) .
F12 C1 C2 O6 -74.4(6) .
F11 C1 C2 C3 -137.4(5) .
F10 C1 C2 C3 -17.2(7) .
F12 C1 C2 C3 104.8(5) .
O6 C2 C3 C4 -1.7(8) .
C1 C2 C3 C4 179.2(4) .
Dy1 O5 C4 C3 15.9(7) .
Dy1 O5 C4 C5 -166.4(3) .
C2 C3 C4 O5 -0.2(8) .
C2 C3 C4 C5 -177.8(4) .
O5 C4 C5 F7 171.9(4) .
C3 C4 C5 F7 -10.1(7) .
O5 C4 C5 F9 49.7(6) .
C3 C4 C5 F9 -132.3(5) .
O5 C4 C5 F8 -67.6(5) .
C3 C4 C5 F8 110.4(5) .
Dy1 O3 C7 C8 2.0(8) .
Dy1 O3 C7 C6 -175.8(3) .
F3 C6 C7 O3 -172.8(5) .
F2 C6 C7 O3 63.4(6) .
F1 C6 C7 O3 -52.8(6) .
F3 C6 C7 C8 9.2(8) .
F2 C6 C7 C8 -114.6(6) .
F1 C6 C7 C8 129.2(5) .
O3 C7 C8 C9 0.3(8) .
C6 C7 C8 C9 177.9(5) .
Dy1 O4 C9 C8 3.7(8) .
Dy1 O4 C9 C10 -178.0(3) .
C7 C8 C9 O4 -3.1(8) .
C7 C8 C9 C10 178.6(5) .
O4 C9 C10 F4 177.5(4) .
C8 C9 C10 F4 -4.0(7) .
O4 C9 C10 F5 -61.4(6) .
C8 C9 C10 F5 117.1(5) .
O4 C9 C10 F6 56.3(5) .
C8 C9 C10 F6 -125.1(5) .
Dy1 O8 C12 C13 11.7(7) .
Dy1 O8 C12 C11 -171.8(3) .
F16 C11 C12 O8 25.7(6) .
F17 C11 C12 O8 146.8(4) .
F18 C11 C12 O8 -92.6(5) .
F16 C11 C12 C13 -157.4(4) .
F17 C11 C12 C13 -36.3(6) .
F18 C11 C12 C13 84.3(5) .
O8 C12 C13 C14 3.6(8) .
C11 C12 C13 C14 -172.9(4) .
Dy1 O7 C14 C13 -18.6(7) .
Dy1 O7 C14 C15 160.7(3) .
C12 C13 C14 O7 -0.3(8) .
C12 C13 C14 C15 -179.6(4) .
O7 C14 C15 F15 155.4(5) .
C13 C14 C15 F15 -25.1(7) .
O7 C14 C15 F13 -80.0(5) .
C13 C14 C15 F13 99.5(5) .
O7 C14 C15 F14 34.8(6) .
C13 C14 C15 F14 -145.7(5) .
C20 N3 C16 C17 0.1(7) .
Cu2 N3 C16 C17 -178.6(3) 4_565
N3 C16 C17 C18 0.2(7) .
C16 C17 C18 C19 -0.9(7) .
C17 C18 C19 C20 1.3(6) .
C17 C18 C19 C21 -178.2(4) .
C16 N3 C20 C19 0.3(6) .
Cu2 N3 C20 C19 179.0(3) 4_565
C18 C19 C20 N3 -1.0(7) .
C21 C19 C20 N3 178.5(4) .
O2 N2 C21 N1 177.4(4) .
C25 N2 C21 N1 8.9(5) .
O2 N2 C21 C19 -2.8(7) .
C25 N2 C21 C19 -171.3(4) .
O1 N1 C21 N2 -176.1(4) .
C22 N1 C21 N2 10.6(5) .
O1 N1 C21 C19 4.1(7) .
C22 N1 C21 C19 -169.2(4) .
C20 C19 C21 N2 -146.2(4) .
C18 C19 C21 N2 33.2(7) .
C20 C19 C21 N1 33.6(6) .
C18 C19 C21 N1 -147.0(4) .
O1 N1 C22 C24 40.6(6) .
C21 N1 C22 C24 -145.8(4) .
O1 N1 C22 C23 -79.4(5) .
C21 N1 C22 C23 94.2(4) .
O1 N1 C22 C25 162.3(4) .
C21 N1 C22 C25 -24.2(5) .
O2 N2 C25 C27 45.0(6) .
C21 N2 C25 C27 -145.8(4) .
O2 N2 C25 C26 -73.9(5) .
C21 N2 C25 C26 95.2(4) .
O2 N2 C25 C22 167.5(4) .
C21 N2 C25 C22 -23.3(5) .
N1 C22 C25 N2 26.1(4) .
C24 C22 C25 N2 144.0(4) .
C23 C22 C25 N2 -86.6(4) .
N1 C22 C25 C27 144.3(4) .
C24 C22 C25 C27 -97.8(5) .
C23 C22 C25 C27 31.7(6) .
N1 C22 C25 C26 -85.5(5) .
C24 C22 C25 C26 32.4(6) .
C23 C22 C25 C26 161.9(4) .
C31 N6 C28 C29 -1.1(6) .
Cu1 N6 C28 C29 173.6(3) 4_566
N6 C28 C29 C30 -0.8(7) .
C28 C29 C30 C32 1.8(7) .
C28 N6 C31 C32 2.2(6) .
Cu1 N6 C31 C32 -172.6(3) 4_566
N6 C31 C32 C30 -1.2(7) .
N6 C31 C32 C33 178.1(4) .
C29 C30 C32 C31 -0.8(6) .
C29 C30 C32 C33 180.0(4) .
O9 N4 C33 N5 174.3(4) .
C37 N4 C33 N5 2.1(5) .
O9 N4 C33 C32 -5.7(7) .
C37 N4 C33 C32 -177.9(4) .
O10 N5 C33 N4 -174.1(4) .
C34 N5 C33 N4 9.2(5) .
O10 N5 C33 C32 5.8(7) .
C34 N5 C33 C32 -170.8(4) .
C31 C32 C33 N4 -143.3(5) .
C30 C32 C33 N4 35.9(7) .
C31 C32 C33 N5 36.7(6) .
C30 C32 C33 N5 -144.1(5) .
O10 N5 C34 C35 46.9(6) .
C33 N5 C34 C35 -136.3(4) .
O10 N5 C34 C36 -72.8(5) .
C33 N5 C34 C36 104.1(5) .
O10 N5 C34 C37 167.7(4) .
C33 N5 C34 C37 -15.5(5) .
O9 N4 C37 C38 54.6(6) .
C33 N4 C37 C38 -132.8(4) .
O9 N4 C37 C39 -64.6(5) .
C33 N4 C37 C39 108.0(5) .
O9 N4 C37 C34 176.1(4) .
C33 N4 C37 C34 -11.3(5) .
N5 C34 C37 N4 14.6(4) .
C35 C34 C37 N4 131.2(4) .
C36 C34 C37 N4 -98.4(4) .
N5 C34 C37 C38 131.6(4) .
C35 C34 C37 C38 -111.8(5) .
C36 C34 C37 C38 18.5(6) .
N5 C34 C37 C39 -99.6(4) .
C35 C34 C37 C39 17.0(6) .
C36 C34 C37 C39 147.3(4) .
Cu1 O16 C41 C42 19.6(6) .
Cu1 O16 C41 C40 -161.9(3) .
F42 C40 C41 O16 46.5(6) .
F40 C40 C41 O16 169.1(5) .
F41 C40 C41 O16 -71.4(6) .
F42 C40 C41 C42 -134.8(5) .
F40 C40 C41 C42 -12.2(7) .
F41 C40 C41 C42 107.3(5) .
O16 C41 C42 C43 1.7(8) .
C40 C41 C42 C43 -176.8(5) .
Cu1 O15 C43 C42 -16.8(7) .
Cu1 O15 C43 C44 161.6(3) .
C41 C42 C43 O15 -6.2(8) .
C41 C42 C43 C44 175.5(4) .
O15 C43 C44 F39 -76.4(5) .
C42 C43 C44 F39 102.2(5) .
O15 C43 C44 F37 44.1(6) .
C42 C43 C44 F37 -137.3(5) .
O15 C43 C44 F38 163.1(4) .
C42 C43 C44 F38 -18.3(6) .
Cu1 O18 C46 C47 -16.3(7) .
Cu1 O18 C46 C45 166.5(3) .
F34 C45 C46 O18 -130.4(5) .
F35 C45 C46 O18 -6.7(7) .
F36 C45 C46 O18 111.9(5) .
F34 C45 C46 C47 52.1(7) .
F35 C45 C46 C47 175.8(5) .
F36 C45 C46 C47 -65.6(6) .
O18 C46 C47 C59 -3.2(9) .
C45 C46 C47 C59 173.9(5) .
Cu2 O12 C50 C51 16.2(7) .
Cu2 O12 C50 C49 -166.6(3) .
F22 C49 C50 O12 152.9(5) .
F24 C49 C50 O12 30.5(6) .
F23 C49 C50 O12 -87.8(5) .
F22 C49 C50 C51 -29.6(7) .
F24 C49 C50 C51 -152.0(5) .
F23 C49 C50 C51 89.7(5) .
O12 C50 C51 C52 6.6(8) .
C49 C50 C51 C52 -170.6(4) .
Cu2 O11 C52 C51 -23.9(7) .
Cu2 O11 C52 C53 153.9(3) .
C50 C51 C52 O11 -2.4(8) .
C50 C51 C52 C53 179.8(5) .
O11 C52 C53 F21 -93.0(5) .
C51 C52 C53 F21 85.0(6) .
O11 C52 C53 F19 27.7(6) .
C51 C52 C53 F19 -154.3(4) .
O11 C52 C53 F20 146.8(4) .
C51 C52 C53 F20 -35.1(6) .
Cu2 O14 C55 C56 -13.3(8) .
Cu2 O14 C55 C54 164.6(3) .
F29 C54 C55 O14 -66.9(7) .
F28 C54 C55 O14 173.3(5) .
F30 C54 C55 O14 53.1(7) .
F29 C54 C55 C56 111.3(6) .
F28 C54 C55 C56 -8.6(8) .
F30 C54 C55 C56 -128.7(6) .
O14 C55 C56 C57 -6.4(9) .
C54 C55 C56 C57 175.8(5) .
Cu2 O13 C57 C56 24.3(7) .
Cu2 O13 C57 C58 -154.3(3) .
C55 C56 C57 O13 -2.3(9) .
C55 C56 C57 C58 176.2(5) .
O13 C57 C58 F25 -52.5(6) .
C56 C57 C58 F25 128.7(5) .
O13 C57 C58 F27 -175.7(5) .
C56 C57 C58 F27 5.6(7) .
O13 C57 C58 F26 65.9(6) .
C56 C57 C58 F26 -112.8(5) .
Cu1 O17 C59 C47 21.2(7) .
Cu1 O17 C59 C48 -158.0(4) .
C46 C47 C59 O17 0.1(9) .
C46 C47 C59 C48 179.3(5) .
F33 C48 C59 O17 -140.2(8) .
F32 C48 C59 O17 90.0(8) .
F31 C48 C59 O17 -19.4(8) .
F33 C48 C59 C47 40.5(10) .
F32 C48 C59 C47 -89.3(7) .
F31 C48 C59 C47 161.3(6) .
C60 C61 C62 C63 176.0(6) .
C61 C62 C63 C64 61.9(9) .
C62 C63 C64 C65 171.4(6) .
