#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:22:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179840 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/36/7013688.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_7013688
loop_
_publ_author_name
'Novitchi, Ghenadie'
'Shova, Sergiu'
'Caneschi, Andrea'
'Costes, Jean-Pierre'
'Gdaniec, Maria'
'Stanica, Nicolae'
_publ_section_title
;
 Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate
 bridges: synthesis, structural and magnetic studies.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1194
_journal_page_last               1200
_journal_paper_doi               10.1039/b312186k
_journal_year                    2004
_chemical_formula_sum            'C43 H38 Cu2 Dy F9 N4 O11'
_chemical_formula_weight         1247.35
_chemical_name_common            2
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_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                 96.13(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.034(4)
_cell_length_b                   11.701(2)
_cell_length_c                   22.351(4)
_cell_measurement_temperature    130
_cell_volume                     4689.4(16)
_computing_cell_refinement
'(Version 1.168 (release 08.03.2001 CrysAlis168 BETA))'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction
'(Version 1.168 (release 08.03.2001 CrysAlis168 BETA))'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Kuma KM4CCD'
_diffrn_measurement_method       omega-phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            24990
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.41
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.574
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_correction_T_min  0.466
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details
'XEMP ver. 4.2. Siemens Analytical X-ray Inst. Inc. 1990'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2468
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.559
_refine_diff_density_min         -1.251
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9562
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0274P)²+12.9188P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0795
_reflns_number_gt                8439
_reflns_number_total             9562
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b312186k.txt
_cod_data_source_block           2
_cod_database_code               7013688
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.254750(8) -0.000172(13) 0.181762(6) 0.01452(5) Uani 1 1 d . . .
Cu1A Cu 0.08187(2) -0.07645(4) 0.19712(2) 0.02399(10) Uani 1 1 d . . .
Cu1B Cu 0.41961(2) 0.03229(4) 0.259804(18) 0.01781(9) Uani 1 1 d . . .
F1A F 0.2073(3) -0.4380(3) 0.11756(18) 0.0873(13) Uani 1 1 d . . .
F2A F 0.14050(18) -0.3488(4) 0.04859(18) 0.0905(15) Uani 1 1 d . . .
F3A F 0.25722(16) -0.3267(2) 0.05979(12) 0.0503(7) Uani 1 1 d . . .
F1B F 0.22110(15) 0.3975(2) 0.22132(14) 0.0497(7) Uani 1 1 d . . .
F2B F 0.2788(2) 0.3918(3) 0.30907(13) 0.0650(9) Uani 1 1 d . . .
F3B F 0.33510(16) 0.4465(2) 0.23532(17) 0.0593(8) Uani 1 1 d . . .
F1C F 0.30951(15) 0.1185(4) -0.02002(14) 0.0817(13) Uani 1 1 d . . .
F2C F 0.2179(2) 0.0357(3) -0.07135(11) 0.0579(9) Uani 1 1 d . . .
F3C F 0.20056(16) 0.1840(2) -0.02137(11) 0.0443(6) Uani 1 1 d . . .
O1A O 0.16985(13) -0.0362(2) 0.25242(10) 0.0213(5) Uani 1 1 d . . .
O2A O 0.12769(13) 0.0382(2) 0.15023(11) 0.0237(5) Uani 1 1 d . . .
O3A O 0.12592(15) -0.2366(2) 0.15206(13) 0.0339(7) Uani 1 1 d . . .
O4A O 0.24535(14) -0.1848(2) 0.14997(11) 0.0225(5) Uani 1 1 d . . .
O1B O 0.33300(13) -0.0658(2) 0.26675(10) 0.0193(5) Uani 1 1 d . . .
O2B O 0.38418(12) 0.0076(2) 0.17482(10) 0.0179(5) Uani 1 1 d . . .
O3B O 0.37282(15) 0.2223(2) 0.26651(13) 0.0324(6) Uani 1 1 d . . .
O4B O 0.26409(14) 0.1863(2) 0.21192(11) 0.0235(5) Uani 1 1 d . . .
O1C O 0.25792(14) 0.0567(2) 0.08447(11) 0.0228(5) Uani 1 1 d . . .
O2C O 0.1855(2) -0.0669(3) 0.02756(14) 0.0444(8) Uani 1 1 d . . .
O1S O 0.4362(2) 0.1065(4) 0.52390(16) 0.0618(11) Uani 1 1 d . . .
N1A N 0.0396(2) -0.1628(3) 0.26114(18) 0.0413(9) Uani 1 1 d . . .
N2A N -0.00421(18) -0.0912(3) 0.13522(19) 0.0388(9) Uani 1 1 d . . .
N1B N 0.44340(17) 0.0406(3) 0.34757(13) 0.0212(6) Uani 1 1 d . . .
N2B N 0.51357(16) 0.0992(2) 0.23836(13) 0.0210(6) Uani 1 1 d . . .
C1A C 0.1660(2) -0.0107(3) 0.31018(16) 0.0206(7) Uani 1 1 d . . .
C2A C 0.2183(2) 0.0637(3) 0.34061(16) 0.0214(7) Uani 1 1 d . . .
H42A H 0.2555 0.0987 0.3190 0.026 Uiso 1 1 d R . .
C3A C 0.2167(2) 0.0885(4) 0.40049(18) 0.0324(9) Uani 1 1 d . . .
H50A H 0.2536 0.1387 0.4202 0.039 Uiso 1 1 d R . .
C4A C 0.1631(3) 0.0412(5) 0.4328(2) 0.0477(12) Uani 1 1 d . . .
H68A H 0.1630 0.0576 0.4749 0.057 Uiso 1 1 d R . .
C5A C 0.1117(3) -0.0319(5) 0.4043(2) 0.0534(14) Uani 1 1 d . . .
H72A H 0.0732 -0.0630 0.4261 0.064 Uiso 1 1 d R . .
C6A C 0.1112(3) -0.0592(4) 0.34301(18) 0.0348(10) Uani 1 1 d . . .
C7A C 0.0567(3) -0.1401(4) 0.3170(2) 0.0475(13) Uani 1 1 d . . .
H20A H 0.0296 -0.1810 0.3448 0.057 Uiso 1 1 d R . .
C8A C 0.0903(2) 0.1121(3) 0.11236(15) 0.0239(8) Uani 1 1 d . . .
C9A C 0.1207(2) 0.2188(4) 0.10244(17) 0.0286(8) Uani 1 1 d . . .
H39A H 0.1676 0.2402 0.1240 0.034 Uiso 1 1 d R . .
C10A C 0.0843(2) 0.2944(4) 0.06153(19) 0.0376(10) Uani 1 1 d . . .
H53A H 0.1059 0.3681 0.0559 0.045 Uiso 1 1 d R . .
C11A C 0.0175(3) 0.2666(4) 0.02910(19) 0.0425(12) Uani 1 1 d . . .
H56A H -0.0058 0.3187 -0.0003 0.051 Uiso 1 1 d R . .
C12A C -0.0144(3) 0.1634(5) 0.0394(2) 0.0448(12) Uani 1 1 d . . .
H47A H -0.0613 0.1443 0.0172 0.054 Uiso 1 1 d R . .
C13A C 0.0200(2) 0.0842(4) 0.08200(18) 0.0335(9) Uani 1 1 d . . .
C14A C -0.0195(2) -0.0198(4) 0.0920(2) 0.0422(12) Uani 1 1 d . . .
H64A H -0.0617 -0.0372 0.0636 0.051 Uiso 1 1 d R . .
C15A C -0.0505(3) -0.1949(5) 0.1362(3) 0.0536(14) Uani 1 1 d . . .
H78A H -0.0225 -0.2601 0.1255 0.064 Uiso 1 1 d R . .
H78B H -0.0928 -0.1868 0.1066 0.064 Uiso 1 1 d R . .
C16A C -0.0763(3) -0.2144(5) 0.1978(3) 0.071(2) Uani 1 1 d . . .
H76A H -0.0971 -0.1445 0.2111 0.085 Uiso 1 1 d R . .
H76B H -0.1153 -0.2706 0.1940 0.085 Uiso 1 1 d R . .
C17A C -0.0152(3) -0.2540(5) 0.2447(3) 0.0592(16) Uani 1 1 d . . .
H73A H -0.0370 -0.2769 0.2802 0.071 Uiso 1 1 d R . .
H73B H 0.0092 -0.3194 0.2298 0.071 Uiso 1 1 d R . .
C18A C 0.1882(2) -0.2434(3) 0.13448(16) 0.0233(8) Uani 1 1 d . . .
C19A C 0.1985(2) -0.3400(4) 0.0893(2) 0.0333(9) Uani 1 1 d . . .
C1B C 0.32401(19) -0.1347(3) 0.31292(15) 0.0200(7) Uani 1 1 d . . .
C2B C 0.2753(2) -0.2282(3) 0.30475(17) 0.0235(7) Uani 1 1 d . . .
H51A H 0.2518 -0.2451 0.2652 0.028 Uiso 1 1 d R . .
C3B C 0.2606(2) -0.2959(3) 0.35274(19) 0.0321(9) Uani 1 1 d . . .
H71A H 0.2275 -0.3599 0.3458 0.039 Uiso 1 1 d R . .
C4B C 0.2936(3) -0.2724(4) 0.41079(19) 0.0376(10) Uani 1 1 d . . .
H69A H 0.2823 -0.3182 0.4443 0.045 Uiso 1 1 d R . .
C5B C 0.3428(2) -0.1832(4) 0.41921(17) 0.0328(9) Uani 1 1 d . . .
H36A H 0.3657 -0.1668 0.4590 0.039 Uiso 1 1 d R . .
C6B C 0.3607(2) -0.1146(3) 0.37094(16) 0.0230(7) Uani 1 1 d . . .
C7B C 0.4140(2) -0.0234(3) 0.38505(16) 0.0233(8) Uani 1 1 d . . .
H16A H 0.4297 -0.0107 0.4269 0.028 Uiso 1 1 d R . .
C8B C 0.42969(19) -0.0282(3) 0.13512(15) 0.0172(7) Uani 1 1 d . . .
C9B C 0.40237(19) -0.0959(3) 0.08605(15) 0.0193(7) Uani 1 1 d . . .
H49A H 0.3507 -0.1177 0.0814 0.023 Uiso 1 1 d R . .
C10B C 0.4485(2) -0.1312(3) 0.04420(16) 0.0229(7) Uani 1 1 d . . .
H30A H 0.4281 -0.1768 0.0107 0.028 Uiso 1 1 d R . .
C11B C 0.5239(2) -0.1021(3) 0.04994(17) 0.0264(8) Uani 1 1 d . . .
H43A H 0.5557 -0.1274 0.0207 0.032 Uiso 1 1 d R . .
C12B C 0.5515(2) -0.0359(3) 0.09785(17) 0.0244(8) Uani 1 1 d . . .
H25A H 0.6032 -0.0149 0.1020 0.029 Uiso 1 1 d R . .
C13B C 0.50653(19) 0.0015(3) 0.14121(15) 0.0182(7) Uani 1 1 d . . .
C14B C 0.54022(19) 0.0738(3) 0.18942(16) 0.0211(7) Uani 1 1 d . . .
H15A H 0.5880 0.1060 0.1839 0.025 Uiso 1 1 d R . .
C15B C 0.5567(2) 0.1784(3) 0.27977(18) 0.0283(8) Uani 1 1 d . . .
H44A H 0.5311 0.2503 0.2796 0.034 Uiso 1 1 d R . .
H44B H 0.6045 0.1915 0.2658 0.034 Uiso 1 1 d R . .
C16B C 0.5668(2) 0.1328(3) 0.34366(17) 0.0278(8) Uani 1 1 d . . .
H54A H 0.6027 0.1794 0.3672 0.033 Uiso 1 1 d R . .
H54B H 0.5866 0.0567 0.3429 0.033 Uiso 1 1 d R . .
C17B C 0.4950(2) 0.1304(3) 0.37339(18) 0.0284(8) Uani 1 1 d . . .
H62A H 0.5067 0.1167 0.4157 0.034 Uiso 1 1 d R . .
H62B H 0.4710 0.2035 0.3686 0.034 Uiso 1 1 d R . .
C18B C 0.3111(2) 0.2479(3) 0.24270(16) 0.0204(7) Uani 1 1 d . . .
C19B C 0.2854(2) 0.3717(3) 0.25190(18) 0.0264(8) Uani 1 1 d . . .
C1C C 0.2253(2) 0.0157(3) 0.03592(16) 0.0228(8) Uani 1 1 d . . .
C2C C 0.2394(2) 0.0876(4) -0.01958(16) 0.0267(8) Uani 1 1 d . . .
C1S C 0.3176(3) 0.1167(5) 0.5650(3) 0.0595(16) Uani 1 1 d . . .
H1AA H 0.3003 0.0639 0.5337 0.071 Uiso 1 1 d R . .
H1AB H 0.3132 0.0824 0.6035 0.071 Uiso 1 1 d R . .
H1AC H 0.2881 0.1850 0.5610 0.071 Uiso 1 1 d R . .
C2S C 0.4326(3) 0.2284(5) 0.6070(3) 0.0605(16) Uani 1 1 d . . .
H2AA H 0.4837 0.2424 0.6006 0.073 Uiso 1 1 d R . .
H2AB H 0.4054 0.2990 0.6038 0.073 Uiso 1 1 d R . .
H2AC H 0.4306 0.1964 0.6463 0.073 Uiso 1 1 d R . .
C3S C 0.3996(3) 0.1467(4) 0.56028(19) 0.0353(9) 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'
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'
F F 0.0171 0.0103 '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'
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
O4A Dy1 O1C 89.30(9) . . ?
O4A Dy1 O4B 178.96(9) . . ?
O1C Dy1 O4B 89.66(9) . . ?
O4A Dy1 O1A 90.44(9) . . ?
O1C Dy1 O1A 140.97(9) . . ?
O4B Dy1 O1A 90.32(9) . . ?
O4A Dy1 O2B 93.28(9) . . ?
O1C Dy1 O2B 78.48(9) . . ?
O4B Dy1 O2B 86.58(9) . . ?
O1A Dy1 O2B 140.46(8) . . ?
O4A Dy1 O2A 92.84(9) . . ?
O1C Dy1 O2A 77.46(9) . . ?
O4B Dy1 O2A 86.86(9) . . ?
O1A Dy1 O2A 63.58(9) . . ?
O2B Dy1 O2A 155.07(8) . . ?
O4A Dy1 O1B 87.75(8) . . ?
O1C Dy1 O1B 141.75(8) . . ?
O4B Dy1 O1B 93.12(9) . . ?
O1A Dy1 O1B 77.20(8) . . ?
O2B Dy1 O1B 63.66(8) . . ?
O2A Dy1 O1B 140.77(8) . . ?
O4A Dy1 Cu1A 74.67(6) . . ?
O1C Dy1 Cu1A 107.37(7) . . ?
O4B Dy1 Cu1A 105.58(6) . . ?
O1A Dy1 Cu1A 35.98(6) . . ?
O2B Dy1 Cu1A 166.28(6) . . ?
O2A Dy1 Cu1A 35.52(6) . . ?
O1B Dy1 Cu1A 108.52(6) . . ?
O4A Dy1 Cu1B 107.87(6) . . ?
O1C Dy1 Cu1B 110.92(7) . . ?
O4B Dy1 Cu1B 72.58(6) . . ?
O1A Dy1 Cu1B 106.24(6) . . ?
O2B Dy1 Cu1B 35.80(6) . . ?
O2A Dy1 Cu1B 157.39(7) . . ?
O1B Dy1 Cu1B 35.81(6) . . ?
Cu1A Dy1 Cu1B 141.623(16) . . ?
O2A Cu1A O1A 79.15(10) . . ?
O2A Cu1A N1A 165.17(13) . . ?
O1A Cu1A N1A 90.85(14) . . ?
O2A Cu1A N2A 91.75(14) . . ?
O1A Cu1A N2A 170.20(14) . . ?
N1A Cu1A N2A 97.37(17) . . ?
O2A Cu1A O3A 98.01(11) . . ?
O1A Cu1A O3A 100.21(10) . . ?
N1A Cu1A O3A 94.50(14) . . ?
N2A Cu1A O3A 84.52(13) . . ?
O2A Cu1A Dy1 45.13(7) . . ?
O1A Cu1A Dy1 44.78(7) . . ?
N1A Cu1A Dy1 131.13(13) . . ?
N2A Cu1A Dy1 129.25(12) . . ?
O3A Cu1A Dy1 78.52(7) . . ?
O1B Cu1B O2B 79.05(10) . . ?
O1B Cu1B N1B 92.34(12) . . ?
O2B Cu1B N1B 171.35(12) . . ?
O1B Cu1B N2B 164.95(11) . . ?
O2B Cu1B N2B 91.30(11) . . ?
N1B Cu1B N2B 96.97(13) . . ?
O1B Cu1B O3B 104.52(10) . . ?
O2B Cu1B O3B 96.74(10) . . ?
N1B Cu1B O3B 86.12(11) . . ?
N2B Cu1B O3B 87.94(11) . . ?
O1B Cu1B Dy1 45.10(7) . . ?
O2B Cu1B Dy1 44.73(7) . . ?
N1B Cu1B Dy1 128.38(9) . . ?
N2B Cu1B Dy1 131.72(9) . . ?
O3B Cu1B Dy1 80.57(6) . . ?
C1A O1A Cu1A 122.8(2) . . ?
C1A O1A Dy1 135.6(2) . . ?
Cu1A O1A Dy1 99.25(10) . . ?
C8A O2A Cu1A 124.9(2) . . ?
C8A O2A Dy1 135.7(2) . . ?
Cu1A O2A Dy1 99.36(10) . . ?
C18A O3A Cu1A 124.1(2) . . ?
C18A O4A Dy1 129.5(2) . . ?
C1B O1B Cu1B 125.5(2) . . ?
C1B O1B Dy1 134.8(2) . . ?
Cu1B O1B Dy1 99.09(10) . . ?
C8B O2B Cu1B 121.9(2) . . ?
C8B O2B Dy1 135.5(2) . . ?
Cu1B O2B Dy1 99.47(10) . . ?
C18B O3B Cu1B 120.9(2) . . ?
C18B O4B Dy1 137.0(2) . . ?
C1C O1C Dy1 130.3(2) . . ?
C7A N1A C17A 118.5(4) . . ?
C7A N1A Cu1A 122.0(3) . . ?
C17A N1A Cu1A 119.4(3) . . ?
C14A N2A C15A 118.1(4) . . ?
C14A N2A Cu1A 124.0(3) . . ?
C15A N2A Cu1A 117.8(3) . . ?
C7B N1B C17B 116.6(3) . . ?
C7B N1B Cu1B 124.3(3) . . ?
C17B N1B Cu1B 119.1(2) . . ?
C14B N2B C15B 117.6(3) . . ?
C14B N2B Cu1B 121.9(2) . . ?
C15B N2B Cu1B 120.5(2) . . ?
O1A C1A C2A 120.3(3) . . ?
O1A C1A C6A 121.7(3) . . ?
C2A C1A C6A 117.9(3) . . ?
C3A C2A C1A 121.4(4) . . ?
C2A C3A C4A 120.9(4) . . ?
C5A C4A C3A 119.0(4) . . ?
C4A C5A C6A 121.9(4) . . ?
C5A C6A C1A 118.9(4) . . ?
C5A C6A C7A 118.4(4) . . ?
C1A C6A C7A 122.6(4) . . ?
N1A C7A C6A 127.7(4) . . ?
O2A C8A C9A 119.9(3) . . ?
O2A C8A C13A 121.4(4) . . ?
C9A C8A C13A 118.7(4) . . ?
C10A C9A C8A 120.7(4) . . ?
C11A C10A C9A 121.5(5) . . ?
C12A C11A C10A 118.7(4) . . ?
C11A C12A C13A 121.8(4) . . ?
C8A C13A C12A 118.5(4) . . ?
C8A C13A C14A 123.7(4) . . ?
C12A C13A C14A 117.8(4) . . ?
N2A C14A C13A 126.6(4) . . ?
N2A C15A C16A 111.5(4) . . ?
C17A C16A C15A 113.9(4) . . ?
N1A C17A C16A 111.8(5) . . ?
O3A C18A O4A 128.8(4) . . ?
O3A C18A C19A 115.8(3) . . ?
O4A C18A C19A 115.4(3) . . ?
F1A C19A F2A 108.1(4) . . ?
F1A C19A F3A 106.5(4) . . ?
F2A C19A F3A 106.6(4) . . ?
F1A C19A C18A 110.1(4) . . ?
F2A C19A C18A 111.6(3) . . ?
F3A C19A C18A 113.7(3) . . ?
O1B C1B C2B 119.8(3) . . ?
O1B C1B C6B 121.8(3) . . ?
C2B C1B C6B 118.4(3) . . ?
C3B C2B C1B 121.0(4) . . ?
C2B C3B C4B 120.7(4) . . ?
C5B C4B C3B 118.9(4) . . ?
C4B C5B C6B 121.8(4) . . ?
C5B C6B C1B 119.0(4) . . ?
C5B C6B C7B 117.0(3) . . ?
C1B C6B C7B 124.0(3) . . ?
N1B C7B C6B 126.9(3) . . ?
O2B C8B C9B 120.5(3) . . ?
O2B C8B C13B 121.3(3) . . ?
C9B C8B C13B 118.2(3) . . ?
C10B C9B C8B 120.9(3) . . ?
C9B C10B C11B 121.1(3) . . ?
C12B C11B C10B 118.6(3) . . ?
C11B C12B C13B 122.0(3) . . ?
C12B C13B C8B 119.2(3) . . ?
C12B C13B C14B 118.0(3) . . ?
C8B C13B C14B 122.7(3) . . ?
N2B C14B C13B 127.3(3) . . ?
N2B C15B C16B 111.9(3) . . ?
C17B C16B C15B 113.4(3) . . ?
N1B C17B C16B 111.9(3) . . ?
O3B C18B O4B 128.9(3) . . ?
O3B C18B C19B 116.5(3) . . ?
O4B C18B C19B 114.6(3) . . ?
F2B C19B F1B 107.2(3) . . ?
F2B C19B F3B 106.6(3) . . ?
F1B C19B F3B 106.6(3) . . ?
F2B C19B C18B 110.9(3) . . ?
F1B C19B C18B 114.0(3) . . ?
F3B C19B C18B 111.1(3) . . ?
O2C C1C O1C 130.4(4) . . ?
O2C C1C C2C 117.3(3) . . ?
O1C C1C C2C 112.3(3) . . ?
F1C C2C F2C 108.1(3) . . ?
F1C C2C F3C 105.7(4) . . ?
F2C C2C F3C 105.0(3) . . ?
F1C C2C C1C 113.4(3) . . ?
F2C C2C C1C 113.2(3) . . ?
F3C C2C C1C 110.9(3) . . ?
O1S C3S C2S 121.3(5) . . ?
O1S C3S C1S 124.2(5) . . ?
C2S C3S C1S 114.5(4) . . ?
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 O4A 2.275(2) . ?
Dy1 O1C 2.281(2) . ?
Dy1 O4B 2.285(2) . ?
Dy1 O1A 2.352(2) . ?
Dy1 O2B 2.357(2) . ?
Dy1 O2A 2.367(2) . ?
Dy1 O1B 2.370(2) . ?
Dy1 Cu1A 3.2959(8) . ?
Dy1 Cu1B 3.3043(11) . ?
Cu1A O2A 1.941(3) . ?
Cu1A O1A 1.962(2) . ?
Cu1A N1A 1.970(4) . ?
Cu1A N2A 1.974(4) . ?
Cu1A O3A 2.308(3) . ?
Cu1B O1B 1.958(2) . ?
Cu1B O2B 1.960(2) . ?
Cu1B N1B 1.965(3) . ?
Cu1B N2B 1.972(3) . ?
Cu1B O3B 2.389(3) . ?
F1A C19A 1.310(5) . ?
F2A C19A 1.316(5) . ?
F3A C19A 1.315(5) . ?
F1B C19B 1.318(4) . ?
F2B C19B 1.317(5) . ?
F3B C19B 1.333(5) . ?
F1C C2C 1.316(5) . ?
F2C C2C 1.327(5) . ?
F3C C2C 1.326(5) . ?
O1A C1A 1.334(4) . ?
O2A C8A 1.341(4) . ?
O3A C18A 1.232(5) . ?
O4A C18A 1.255(4) . ?
O1B C1B 1.333(4) . ?
O2B C8B 1.339(4) . ?
O3B C18B 1.218(4) . ?
O4B C18B 1.260(4) . ?
O1C C1C 1.272(4) . ?
O2C C1C 1.206(5) . ?
O1S C3S 1.196(6) . ?
N1A C7A 1.281(6) . ?
N1A C17A 1.475(5) . ?
N2A C14A 1.284(6) . ?
N2A C15A 1.475(6) . ?
N1B C7B 1.280(5) . ?
N1B C17B 1.480(5) . ?
N2B C14B 1.276(5) . ?
N2B C15B 1.472(5) . ?
C1A C2A 1.404(5) . ?
C1A C6A 1.411(5) . ?
C2A C3A 1.373(5) . ?
C3A C4A 1.382(6) . ?
C4A C5A 1.368(7) . ?
C5A C6A 1.406(6) . ?
C6A C7A 1.441(6) . ?
C8A C9A 1.391(6) . ?
C8A C13A 1.410(5) . ?
C9A C10A 1.386(5) . ?
C10A C11A 1.377(7) . ?
C11A C12A 1.368(7) . ?
C12A C13A 1.422(6) . ?
C13A C14A 1.440(7) . ?
C15A C16A 1.516(9) . ?
C16A C17A 1.510(9) . ?
C18A C19A 1.540(5) . ?
C1B C2B 1.402(5) . ?
C1B C6B 1.411(5) . ?
C2B C3B 1.382(5) . ?
C3B C4B 1.396(6) . ?
C4B C5B 1.369(6) . ?
C5B C6B 1.410(5) . ?
C6B C7B 1.448(5) . ?
C8B C9B 1.399(5) . ?
C8B C13B 1.421(5) . ?
C9B C10B 1.380(5) . ?
C10B C11B 1.395(5) . ?
C11B C12B 1.371(5) . ?
C12B C13B 1.399(5) . ?
C13B C14B 1.451(5) . ?
C15B C16B 1.517(6) . ?
C16B C17B 1.517(6) . ?
C18B C19B 1.541(5) . ?
C1C C2C 1.542(5) . ?
C1S C3S 1.534(7) . ?
C2S C3S 1.491(6) . ?
