#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:42:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179760 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/56/7005628.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_7005628
loop_
_publ_author_name
'Lipstman, Sophia'
'Muniappan, Sankar'
'George, Sumod'
'Goldberg, Israel'
_publ_section_title
;
 Framework coordination polymers of tetra(4-carboxyphenyl)porphyrin and
 lanthanide ions in crystalline solids.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3273
_journal_page_last               3281
_journal_paper_doi               10.1039/b703698a
_journal_year                    2007
_chemical_formula_moiety         'C150 H94 Cu3 Dy4 N14 O30'
_chemical_formula_sum            'C150 H94 Cu3 Dy4 N14 O30'
_chemical_formula_weight         3413.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 106.1922(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.6137(8)
_cell_length_b                   23.9695(7)
_cell_length_c                   30.9377(11)
_cell_measurement_reflns_used    13327
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      1.41
_cell_volume                     15392.1(9)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        'Denzo & Scalepack'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 12.8
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '0.8 deg. Phi & Omega 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  0.0720
_diffrn_reflns_av_sigmaI/netI    0.1244
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            42682
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         1.30
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.395
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.4475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             6732
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.726
_refine_diff_density_min         -1.332
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         17634
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0578P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1476
_reflns_number_gt                9406
_reflns_number_total             17634
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703698a.txt
_cod_data_source_block           Compound-7
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7005628
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.913583(16) 0.224987(13) 0.199438(11) 0.02976(11) Uani 1 1 d . . .
Dy2 Dy 0.824580(18) 0.691223(13) 0.587260(12) 0.03362(11) Uani 1 1 d . . .
C1 C 0.8238(3) 0.3069(3) 0.5328(2) 0.0282(16) Uani 1 1 d . . .
C2 C 0.8144(3) 0.3354(3) 0.4908(2) 0.0307(17) Uani 1 1 d . . .
H2 H 0.8038 0.3736 0.4850 0.037 Uiso 1 1 calc R . .
C3 C 0.8237(3) 0.2969(3) 0.4608(2) 0.0313(17) Uani 1 1 d . . .
H3 H 0.8222 0.3034 0.4302 0.038 Uiso 1 1 calc R . .
C4 C 0.8363(3) 0.2445(3) 0.4843(2) 0.0274(16) Uani 1 1 d . . .
C5 C 0.8574(3) 0.1964(3) 0.4670(2) 0.0278(16) Uani 1 1 d . . .
C6 C 0.8671(3) 0.1467(3) 0.4914(2) 0.0325(17) Uani 1 1 d . . .
C7 C 0.8857(4) 0.0956(3) 0.4739(3) 0.042(2) Uani 1 1 d . . .
H7 H 0.8989 0.0917 0.4472 0.050 Uiso 1 1 calc R . .
C8 C 0.8807(4) 0.0543(3) 0.5023(3) 0.044(2) Uani 1 1 d . . .
H8 H 0.8907 0.0160 0.5000 0.053 Uiso 1 1 calc R . .
C9 C 0.8573(3) 0.0800(3) 0.5371(2) 0.0340(18) Uani 1 1 d . . .
C10 C 0.8384(3) 0.0516(3) 0.5705(2) 0.0296(17) Uani 1 1 d . . .
C11 C 0.8168(3) 0.0780(3) 0.6034(2) 0.0271(16) Uani 1 1 d . . .
C12 C 0.7940(3) 0.0483(3) 0.6367(2) 0.0292(16) Uani 1 1 d . . .
H12 H 0.7878 0.0092 0.6384 0.035 Uiso 1 1 calc R . .
C13 C 0.7838(3) 0.0872(3) 0.6645(2) 0.0329(17) Uani 1 1 d . . .
H13 H 0.7680 0.0809 0.6898 0.040 Uiso 1 1 calc R . .
C14 C 0.8004(3) 0.1400(3) 0.6500(2) 0.0249(15) Uani 1 1 d . . .
C15 C 0.8065(3) 0.1890(3) 0.6749(2) 0.0285(16) Uani 1 1 d . . .
C16 C 0.8276(3) 0.2390(3) 0.6598(2) 0.0282(16) Uani 1 1 d . . .
C17 C 0.8403(3) 0.2890(3) 0.6853(2) 0.0327(17) Uani 1 1 d . . .
H17 H 0.8420 0.2930 0.7161 0.039 Uiso 1 1 calc R . .
C18 C 0.8497(3) 0.3298(3) 0.6578(2) 0.0335(18) Uani 1 1 d . . .
H18 H 0.8611 0.3674 0.6657 0.040 Uiso 1 1 calc R . .
C19 C 0.8391(3) 0.3049(3) 0.6142(2) 0.0288(16) Uani 1 1 d . . .
C20 C 0.8310(3) 0.3331(3) 0.5740(3) 0.0308(17) Uani 1 1 d . . .
N21 N 0.8328(2) 0.2502(2) 0.52807(18) 0.0244(13) Uani 1 1 d . . .
N22 N 0.8511(3) 0.1377(2) 0.53050(18) 0.0267(13) Uani 1 1 d . . .
N23 N 0.8183(3) 0.1339(2) 0.61071(19) 0.0287(14) Uani 1 1 d . . .
N24 N 0.8310(2) 0.2475(2) 0.61724(18) 0.0240(13) Uani 1 1 d . . .
C25 C 0.8731(4) 0.1999(3) 0.4235(2) 0.0314(17) Uani 1 1 d . . .
C26 C 0.8263(3) 0.2031(3) 0.3838(3) 0.0328(18) Uani 1 1 d . . .
H26 H 0.7824 0.2018 0.3836 0.039 Uiso 1 1 calc R . .
C27 C 0.8420(3) 0.2082(3) 0.3436(2) 0.0301(17) Uani 1 1 d . . .
H27 H 0.8088 0.2098 0.3160 0.036 Uiso 1 1 calc R . .
C28 C 0.9065(3) 0.2109(2) 0.3434(2) 0.0255(16) Uani 1 1 d . . .
C29 C 0.9539(4) 0.2064(3) 0.3841(3) 0.0401(19) Uani 1 1 d . . .
H29 H 0.9980 0.2071 0.3844 0.048 Uiso 1 1 calc R . .
C30 C 0.9383(3) 0.2008(3) 0.4238(3) 0.042(2) Uani 1 1 d . . .
H30 H 0.9712 0.1975 0.4514 0.050 Uiso 1 1 calc R . .
C31 C 0.9234(4) 0.2186(3) 0.3003(2) 0.0293(17) Uani 1 1 d . . .
O32 O 0.8787(2) 0.22042(18) 0.26423(16) 0.0323(11) Uani 1 1 d . . .
O33 O 0.9825(2) 0.22300(18) 0.30117(16) 0.0341(12) Uani 1 1 d . . .
C34 C 0.8409(4) -0.0106(3) 0.5713(2) 0.0306(17) Uani 1 1 d . . .
C35 C 0.8971(4) -0.0372(3) 0.5981(3) 0.044(2) Uani 1 1 d . . .
H35 H 0.9351 -0.0163 0.6113 0.053 Uiso 1 1 calc R . .
C36 C 0.8954(4) -0.0956(3) 0.6047(3) 0.043(2) Uani 1 1 d . . .
H36 H 0.9323 -0.1139 0.6232 0.052 Uiso 1 1 calc R . .
C37 C 0.8397(3) -0.1268(3) 0.5843(2) 0.0271(16) Uani 1 1 d . . .
C38 C 0.7881(4) -0.0993(3) 0.5574(2) 0.041(2) Uani 1 1 d . . .
H38 H 0.7510 -0.1203 0.5424 0.049 Uiso 1 1 calc R . .
C39 C 0.7871(4) -0.0421(3) 0.5509(2) 0.0382(19) Uani 1 1 d . . .
H39 H 0.7495 -0.0246 0.5325 0.046 Uiso 1 1 calc R . .
C40 C 0.8376(4) -0.1872(3) 0.5926(3) 0.039(2) Uani 1 1 d . . .
O41 O 0.7893(3) -0.21449(19) 0.57239(18) 0.0411(13) Uani 1 1 d . . .
O42 O 0.8853(2) -0.20993(18) 0.62082(17) 0.0370(12) Uani 1 1 d . . .
C43 C 0.7888(3) 0.1872(3) 0.7183(2) 0.0270(16) Uani 1 1 d . . .
C44 C 0.7246(3) 0.1780(3) 0.7174(2) 0.0289(16) Uani 1 1 d . . .
H44 H 0.6933 0.1705 0.6896 0.035 Uiso 1 1 calc R . .
C45 C 0.7067(3) 0.1800(2) 0.7566(2) 0.0282(17) Uani 1 1 d . . .
H45 H 0.6629 0.1733 0.7554 0.034 Uiso 1 1 calc R . .
C46 C 0.7501(3) 0.1913(3) 0.7974(2) 0.0255(15) Uani 1 1 d . . .
C47 C 0.8150(3) 0.1973(3) 0.7989(2) 0.0362(18) Uani 1 1 d . . .
H47 H 0.8465 0.2020 0.8270 0.043 Uiso 1 1 calc R . .
C48 C 0.8335(3) 0.1962(3) 0.7592(2) 0.0336(18) Uani 1 1 d . . .
H48 H 0.8775 0.2018 0.7604 0.040 Uiso 1 1 calc R . .
C49 C 0.7300(4) 0.1985(3) 0.8384(3) 0.0296(17) Uani 1 1 d . . .
O50 O 0.6688(2) 0.20828(17) 0.83337(14) 0.0251(10) Uani 1 1 d . . .
O51 O 0.7676(2) 0.19606(18) 0.87664(15) 0.0307(11) Uani 1 1 d . . .
C52 C 0.8308(3) 0.3964(3) 0.5758(3) 0.0377(19) Uani 1 1 d . . .
C53 C 0.8760(4) 0.4272(3) 0.5620(3) 0.045(2) Uani 1 1 d . . .
H53 H 0.9076 0.4089 0.5510 0.054 Uiso 1 1 calc R . .
C54 C 0.8749(5) 0.4858(3) 0.5642(3) 0.062(3) Uani 1 1 d . . .
H54 H 0.9059 0.5071 0.5549 0.075 Uiso 1 1 calc R . .
C55 C 0.8291(5) 0.5122(3) 0.5797(3) 0.061(3) Uani 1 1 d . . .
C56 C 0.7835(4) 0.4821(3) 0.5934(3) 0.060(3) Uani 1 1 d . . .
H56 H 0.7522 0.5005 0.6046 0.072 Uiso 1 1 calc R . .
C57 C 0.7845(4) 0.4248(3) 0.5908(3) 0.050(2) Uani 1 1 d . . .
H57 H 0.7525 0.4040 0.5995 0.060 Uiso 1 1 calc R . .
C58 C 0.8278(5) 0.5748(3) 0.5819(4) 0.075(3) Uani 1 1 d . . .
O59 O 0.8053(3) 0.5987(2) 0.6102(2) 0.077(2) Uani 1 1 d . . .
O60 O 0.8502(4) 0.6031(2) 0.5544(2) 0.084(2) Uani 1 1 d . . .
Cu1 Cu 0.83309(4) 0.19250(3) 0.57157(3) 0.0328(2) Uani 1 1 d . . .
C61 C 1.0000 0.8673(4) 0.2500 0.035(3) Uani 1 2 d S . .
C62 C 0.9984(3) 0.8394(3) 0.2101(2) 0.0283(16) Uani 1 1 d . . .
C63 C 1.0000(4) 0.8666(3) 0.1688(3) 0.0410(19) Uani 1 1 d . . .
H63 H 0.9957 0.9055 0.1626 0.049 Uiso 1 1 calc R . .
C64 C 1.0088(3) 0.8269(3) 0.1409(2) 0.0340(18) Uani 1 1 d . . .
H64 H 1.0136 0.8324 0.1116 0.041 Uiso 1 1 calc R . .
C65 C 1.0098(3) 0.7742(3) 0.1631(2) 0.0310(17) Uani 1 1 d . . .
C66 C 1.0214(3) 0.7236(3) 0.1446(3) 0.0348(18) Uani 1 1 d . . .
C67 C 1.0186(3) 0.6729(3) 0.1657(2) 0.0295(16) Uani 1 1 d . . .
C68 C 1.0232(3) 0.6202(3) 0.1450(3) 0.0401(19) Uani 1 1 d . . .
H68 H 1.0302 0.6144 0.1163 0.048 Uiso 1 1 calc R . .
C69 C 1.0156(4) 0.5803(3) 0.1737(3) 0.044(2) Uani 1 1 d . . .
H69 H 1.0164 0.5411 0.1693 0.053 Uiso 1 1 calc R . .
C70 C 1.0062(3) 0.6082(3) 0.2118(2) 0.0292(17) Uani 1 1 d . . .
C71 C 1.0000 0.5792(4) 0.2500 0.027(2) Uani 1 2 d S . .
N72 N 1.0030(3) 0.7819(2) 0.20572(18) 0.0266(13) Uani 1 1 d . . .
N73 N 1.0091(3) 0.6657(2) 0.20701(19) 0.0304(14) Uani 1 1 d . . .
C74 C 1.0000 0.9303(4) 0.2500 0.030(2) Uani 1 2 d S . .
C75 C 0.9476(4) 0.9611(3) 0.2249(3) 0.044(2) Uani 1 1 d . . .
H75 H 0.9105 0.9418 0.2076 0.053 Uiso 1 1 calc R . .
C76 C 0.9477(4) 1.0178(3) 0.2245(3) 0.0383(19) Uani 1 1 d . . .
H76 H 0.9110 1.0366 0.2062 0.046 Uiso 1 1 calc R . .
C77 C 1.0000 1.0501(3) 0.2500 0.029(2) Uani 1 2 d SD . .
C78 C 1.0000 1.1089(3) 0.2500 0.030(2) Uani 1 2 d SD . .
O79 O 1.0490(2) 1.13563(17) 0.27398(17) 0.0370(12) Uani 1 1 d . . .
C80 C 1.0362(4) 0.7230(3) 0.1007(3) 0.0318(17) Uani 1 1 d . . .
C81 C 1.0998(4) 0.7220(3) 0.0984(3) 0.063(3) Uani 1 1 d . . .
H81 H 1.1348 0.7242 0.1250 0.075 Uiso 1 1 calc R . .
C82 C 1.1113(5) 0.7176(3) 0.0554(4) 0.074(3) Uani 1 1 d . . .
H82 H 1.1547 0.7187 0.0543 0.089 Uiso 1 1 calc R . .
C83 C 1.0641(5) 0.7117(3) 0.0155(3) 0.053(2) Uani 1 1 d D . .
C84 C 1.0036(5) 0.7133(4) 0.0207(3) 0.076(3) Uani 1 1 d . . .
H84 H 0.9684 0.7105 -0.0057 0.091 Uiso 1 1 calc R . .
C85 C 0.9898(4) 0.7186(4) 0.0614(3) 0.064(3) Uani 1 1 d . . .
H85 H 0.9460 0.7191 0.0618 0.077 Uiso 1 1 calc R . .
C86 C 1.0777(6) 0.7062(4) -0.0262(3) 0.068(3) Uani 1 1 d D . .
O87 O 1.0335(5) 0.6873(5) -0.0595(3) 0.114(5) Uani 1 1 d . . .
O88 O 1.1305(4) 0.7171(2) -0.0313(3) 0.095(3) Uani 1 1 d . . .
C89 C 1.0000 0.5176(4) 0.2500 0.027(2) Uani 1 2 d S . .
C90 C 0.9477(3) 0.4883(3) 0.2251(3) 0.0353(18) Uani 1 1 d . . .
H90 H 0.9111 0.5081 0.2077 0.042 Uiso 1 1 calc R . .
C91 C 0.9468(3) 0.4306(3) 0.2247(2) 0.0351(18) Uani 1 1 d . . .
H91 H 0.9100 0.4113 0.2072 0.042 Uiso 1 1 calc R . .
C92 C 1.0000 0.4008(4) 0.2500 0.026(2) Uani 1 2 d S . .
C93 C 1.0000 0.3383(4) 0.2500 0.033(3) Uani 1 2 d S . .
O94 O 0.9508(2) 0.31367(17) 0.22724(18) 0.0386(13) Uani 1 1 d . . .
Cu2 Cu 1.0000 0.72357(5) 0.2500 0.0354(3) Uani 1 2 d S . .
O95 O 0.8153(2) 0.17105(18) 0.18042(16) 0.0330(12) Uani 1 1 d . . .
C96 C 0.7771(4) 0.1579(4) 0.2028(3) 0.060(3) Uani 1 1 d . . .
H96 H 0.7868 0.1719 0.2326 0.072 Uiso 1 1 calc R . .
N97 N 0.7266(3) 0.1278(3) 0.1897(3) 0.067(2) Uani 1 1 d . . .
C98 C 0.7059(4) 0.1028(4) 0.1454(3) 0.079(3) Uani 1 1 d . . .
H98A H 0.7032 0.1315 0.1225 0.118 Uiso 1 1 calc R . .
H98B H 0.6635 0.0856 0.1411 0.118 Uiso 1 1 calc R . .
H98C H 0.7370 0.0741 0.1427 0.118 Uiso 1 1 calc R . .
C99 C 0.6872(5) 0.1144(5) 0.2204(3) 0.096(4) Uani 1 1 d . . .
H99A H 0.6858 0.0738 0.2241 0.143 Uiso 1 1 calc R . .
H99B H 0.6434 0.1286 0.2077 0.143 Uiso 1 1 calc R . .
H99C H 0.7063 0.1318 0.2498 0.143 Uiso 1 1 calc R . .
O100 O 0.7294(3) 0.6826(4) 0.5264(2) 0.116(3) Uani 1 1 d . . .
HOA H 0.7108 0.7197 0.5181 0.139 Uiso 1 1 d R . .
HOB H 0.6982 0.6592 0.5357 0.139 Uiso 1 1 d R . .
O101 O 0.9321(3) 0.6748(3) 0.6339(2) 0.097(3) Uani 1 1 d . . .
H10A H 0.9614 0.6722 0.6148 0.146 Uiso 1 1 d R . .
H10B H 0.9330 0.6396 0.6501 0.146 Uiso 1 1 d 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'
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'
Cu Cu 0.3201 1.2651 '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
O33 Dy1 O32 124.63(17) 2_755 . ?
O33 Dy1 O79 74.80(16) 2_755 2_745 ?
O32 Dy1 O79 79.56(16) . 2_745 ?
O33 Dy1 O94 77.41(16) 2_755 . ?
O32 Dy1 O94 83.53(16) . . ?
O79 Dy1 O94 130.24(17) 2_745 . ?
O33 Dy1 O42 87.75(17) 2_755 6 ?
O32 Dy1 O42 145.49(17) . 6 ?
O79 Dy1 O42 100.70(16) 2_745 6 ?
O94 Dy1 O42 118.60(17) . 6 ?
O33 Dy1 O50 129.44(15) 2_755 7_656 ?
O32 Dy1 O50 90.87(15) . 7_656 ?
O79 Dy1 O50 153.67(15) 2_745 7_656 ?
O94 Dy1 O50 71.91(15) . 7_656 ?
O42 Dy1 O50 73.61(15) 6 7_656 ?
O33 Dy1 O95 142.95(15) 2_755 . ?
O32 Dy1 O95 73.22(16) . . ?
O79 Dy1 O95 77.93(15) 2_745 . ?
O94 Dy1 O95 139.60(16) . . ?
O42 Dy1 O95 73.14(16) 6 . ?
O50 Dy1 O95 75.82(15) 7_656 . ?
O88 Dy2 O100 83.2(3) 2_755 . ?
O88 Dy2 O41 77.2(2) 2_755 1_565 ?
O100 Dy2 O41 76.7(2) . 1_565 ?
O88 Dy2 O101 87.4(3) 2_755 . ?
O100 Dy2 O101 160.0(2) . . ?
O41 Dy2 O101 118.3(2) 1_565 . ?
O88 Dy2 O59 128.18(19) 2_755 . ?
O100 Dy2 O59 88.3(3) . . ?
O41 Dy2 O59 149.2(2) 1_565 . ?
O101 Dy2 O59 83.6(3) . . ?
O88 Dy2 O50 142.3(2) 2_755 4_656 ?
O100 Dy2 O50 127.02(18) . 4_656 ?
O41 Dy2 O50 87.79(16) 1_565 4_656 ?
O101 Dy2 O50 69.55(19) . 4_656 ?
O59 Dy2 O50 79.88(17) . 4_656 ?
O88 Dy2 O60 74.36(19) 2_755 . ?
O100 Dy2 O60 81.1(2) . . ?
O41 Dy2 O60 145.60(19) 1_565 . ?
O101 Dy2 O60 79.4(3) . . ?
O59 Dy2 O60 53.81(18) . . ?
O50 Dy2 O60 126.61(18) 4_656 . ?
O88 Dy2 O51 150.1(2) 2_755 4_656 ?
O100 Dy2 O51 74.98(19) . 4_656 ?
O41 Dy2 O51 78.15(16) 1_565 4_656 ?
O101 Dy2 O51 119.30(18) . 4_656 ?
O59 Dy2 O51 71.98(18) . 4_656 ?
O50 Dy2 O51 52.20(14) 4_656 4_656 ?
O60 Dy2 O51 120.81(18) . 4_656 ?
O88 Dy2 O42 78.19(19) 2_755 1_565 ?
O100 Dy2 O42 125.9(2) . 1_565 ?
O41 Dy2 O42 49.78(17) 1_565 1_565 ?
O101 Dy2 O42 68.7(2) . 1_565 ?
O59 Dy2 O42 141.6(2) . 1_565 ?
O50 Dy2 O42 65.96(13) 4_656 1_565 ?
O60 Dy2 O42 138.46(19) . 1_565 ?
O51 Dy2 O42 98.26(13) 4_656 1_565 ?
O88 Dy2 C58 101.7(2) 2_755 . ?
O100 Dy2 C58 84.1(3) . . ?
O41 Dy2 C58 160.8(3) 1_565 . ?
O101 Dy2 C58 80.5(3) . . ?
O59 Dy2 C58 26.5(2) . . ?
O50 Dy2 C58 103.3(2) 4_656 . ?
O60 Dy2 C58 27.3(2) . . ?
O51 Dy2 C58 96.1(2) 4_656 . ?
O42 Dy2 C58 149.3(3) 1_565 . ?
O88 Dy2 C49 160.72(19) 2_755 4_656 ?
O100 Dy2 C49 100.5(2) . 4_656 ?
O41 Dy2 C49 85.19(17) 1_565 4_656 ?
O101 Dy2 C49 94.3(2) . 4_656 ?
O59 Dy2 C49 71.05(18) . 4_656 ?
O50 Dy2 C49 27.05(17) 4_656 4_656 ?
O60 Dy2 C49 124.84(18) . 4_656 ?
O51 Dy2 C49 25.51(16) 4_656 4_656 ?
O42 Dy2 C49 84.52(16) 1_565 4_656 ?
C58 Dy2 C49 97.5(2) . 4_656 ?
O88 Dy2 C40 73.70(19) 2_755 1_565 ?
O100 Dy2 C40 100.3(3) . 1_565 ?
O41 Dy2 C40 24.41(19) 1_565 1_565 ?
O101 Dy2 C40 93.9(3) . 1_565 ?
O59 Dy2 C40 157.63(19) . 1_565 ?
O50 Dy2 C40 78.45(17) 4_656 1_565 ?
O60 Dy2 C40 147.61(19) . 1_565 ?
O51 Dy2 C40 90.24(17) 4_656 1_565 ?
O42 Dy2 C40 25.64(18) 1_565 1_565 ?
C58 Dy2 C40 173.0(3) . 1_565 ?
C49 Dy2 C40 87.02(18) 4_656 1_565 ?
N21 C1 C20 123.9(6) . . ?
N21 C1 C2 111.1(6) . . ?
C20 C1 C2 124.6(6) . . ?
C3 C2 C1 106.6(6) . . ?
C3 C2 H2 126.7 . . ?
C1 C2 H2 126.7 . . ?
C2 C3 C4 106.8(6) . . ?
C2 C3 H3 126.6 . . ?
C4 C3 H3 126.6 . . ?
N21 C4 C5 124.6(6) . . ?
N21 C4 C3 110.8(6) . . ?
C5 C4 C3 124.1(6) . . ?
C6 C5 C4 120.8(6) . . ?
C6 C5 C25 120.3(6) . . ?
C4 C5 C25 118.9(6) . . ?
N22 C6 C5 125.4(6) . . ?
N22 C6 C7 111.3(6) . . ?
C5 C6 C7 122.5(6) . . ?
C8 C7 C6 107.3(6) . . ?
C8 C7 H7 126.3 . . ?
C6 C7 H7 126.3 . . ?
C7 C8 C9 106.3(6) . . ?
C7 C8 H8 126.9 . . ?
C9 C8 H8 126.9 . . ?
C10 C9 N22 123.8(6) . . ?
C10 C9 C8 125.4(6) . . ?
N22 C9 C8 110.5(6) . . ?
C11 C10 C9 123.5(6) . . ?
C11 C10 C34 117.6(6) . . ?
C9 C10 C34 119.0(6) . . ?
N23 C11 C10 125.2(6) . . ?
N23 C11 C12 111.3(6) . . ?
C10 C11 C12 123.4(6) . . ?
C13 C12 C11 105.5(6) . . ?
C13 C12 H12 127.3 . . ?
C11 C12 H12 127.3 . . ?
C12 C13 C14 108.6(6) . . ?
C12 C13 H13 125.7 . . ?
C14 C13 H13 125.7 . . ?
N23 C14 C15 124.7(6) . . ?
N23 C14 C13 109.9(6) . . ?
C15 C14 C13 124.8(6) . . ?
C14 C15 C16 121.7(6) . . ?
C14 C15 C43 117.6(6) . . ?
C16 C15 C43 120.6(6) . . ?
N24 C16 C15 124.1(6) . . ?
N24 C16 C17 111.0(6) . . ?
C15 C16 C17 124.5(6) . . ?
C18 C17 C16 107.6(6) . . ?
C18 C17 H17 126.2 . . ?
C16 C17 H17 126.2 . . ?
C17 C18 C19 106.2(6) . . ?
C17 C18 H18 126.9 . . ?
C19 C18 H18 126.9 . . ?
C20 C19 N24 123.8(6) . . ?
C20 C19 C18 126.2(6) . . ?
N24 C19 C18 109.7(6) . . ?
C19 C20 C1 123.9(6) . . ?
C19 C20 C52 117.0(6) . . ?
C1 C20 C52 119.1(6) . . ?
C4 N21 C1 104.3(5) . . ?
C4 N21 Cu1 128.5(4) . . ?
C1 N21 Cu1 127.0(4) . . ?
C6 N22 C9 104.5(5) . . ?
C6 N22 Cu1 128.2(4) . . ?
C9 N22 Cu1 127.0(4) . . ?
C11 N23 C14 104.6(5) . . ?
C11 N23 Cu1 127.7(4) . . ?
C14 N23 Cu1 127.5(4) . . ?
C16 N24 C19 104.8(5) . . ?
C16 N24 Cu1 128.6(4) . . ?
C19 N24 Cu1 126.3(4) . . ?
C26 C25 C30 119.8(6) . . ?
C26 C25 C5 121.6(6) . . ?
C30 C25 C5 118.6(7) . . ?
C25 C26 C27 120.7(6) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C26 C27 C28 120.2(6) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 118.5(6) . . ?
C29 C28 C31 121.3(6) . . ?
C27 C28 C31 120.3(6) . . ?
C30 C29 C28 121.1(7) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C29 C30 C25 119.6(7) . . ?
C29 C30 H30 120.2 . . ?
C25 C30 H30 120.2 . . ?
O32 C31 O33 122.3(6) . . ?
O32 C31 C28 118.7(6) . . ?
O33 C31 C28 119.0(7) . . ?
C31 O32 Dy1 114.3(4) . . ?
C31 O33 Dy1 176.1(4) . 2_755 ?
C39 C34 C35 119.7(6) . . ?
C39 C34 C10 121.1(6) . . ?
C35 C34 C10 118.6(7) . . ?
C36 C35 C34 118.4(7) . . ?
C36 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
C37 C36 C35 121.0(7) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C38 C37 C36 117.9(7) . . ?
C38 C37 C40 121.5(7) . . ?
C36 C37 C40 120.6(7) . . ?
C37 C38 C39 123.0(7) . . ?
C37 C38 H38 118.5 . . ?
C39 C38 H38 118.5 . . ?
C34 C39 C38 119.9(7) . . ?
C34 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
O41 C40 O42 121.7(7) . . ?
O41 C40 C37 119.5(7) . . ?
O42 C40 C37 118.8(8) . . ?
O41 C40 Dy2 52.7(4) . 1_545 ?
O42 C40 Dy2 70.1(4) . 1_545 ?
C37 C40 Dy2 167.2(5) . 1_545 ?
C40 O41 Dy2 102.9(4) . 1_545 ?
C40 O42 Dy1 134.3(4) . 6_556 ?
C40 O42 Dy2 84.3(4) . 1_545 ?
Dy1 O42 Dy2 102.42(16) 6_556 1_545 ?
C48 C43 C44 118.7(6) . . ?
C48 C43 C15 122.1(6) . . ?
C44 C43 C15 119.2(6) . . ?
C45 C44 C43 120.0(7) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C46 C45 C44 122.1(6) . . ?
C46 C45 H45 118.9 . . ?
C44 C45 H45 118.9 . . ?
C45 C46 C47 118.1(6) . . ?
C45 C46 C49 122.0(6) . . ?
C47 C46 C49 119.9(6) . . ?
C48 C47 C46 120.2(7) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C43 C48 C47 120.8(7) . . ?
C43 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
O51 C49 O50 119.7(6) . . ?
O51 C49 C46 123.3(6) . . ?
O50 C49 C46 116.9(6) . . ?
O51 C49 Dy2 62.4(4) . 4_646 ?
O50 C49 Dy2 58.6(3) . 4_646 ?
C46 C49 Dy2 167.8(5) . 4_646 ?
C49 O50 Dy1 140.9(4) . 7_656 ?
C49 O50 Dy2 94.4(4) . 4_646 ?
Dy1 O50 Dy2 111.32(16) 7_656 4_646 ?
C49 O51 Dy2 92.1(4) . 4_646 ?
C53 C52 C57 118.4(7) . . ?
C53 C52 C20 120.9(6) . . ?
C57 C52 C20 120.7(6) . . ?
C52 C53 C54 119.7(7) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C55 C54 C53 120.1(8) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C54 C55 C56 120.9(7) . . ?
C54 C55 C58 120.1(8) . . ?
C56 C55 C58 119.0(8) . . ?
C57 C56 C55 118.7(8) . . ?
C57 C56 H56 120.6 . . ?
C55 C56 H56 120.6 . . ?
C56 C57 C52 122.1(7) . . ?
C56 C57 H57 118.9 . . ?
C52 C57 H57 118.9 . . ?
O59 C58 O60 120.9(7) . . ?
O59 C58 C55 120.3(8) . . ?
O60 C58 C55 118.8(8) . . ?
O59 C58 Dy2 58.8(4) . . ?
O60 C58 Dy2 62.1(4) . . ?
C55 C58 Dy2 179.1(7) . . ?
C58 O59 Dy2 94.7(5) . . ?
C58 O60 Dy2 90.6(5) . . ?
N21 Cu1 N23 170.6(2) . . ?
N21 Cu1 N22 89.5(2) . . ?
N23 Cu1 N22 91.0(2) . . ?
N21 Cu1 N24 91.4(2) . . ?
N23 Cu1 N24 89.8(2) . . ?
N22 Cu1 N24 170.1(2) . . ?
C62 C61 C62 122.8(9) 2_755 . ?
C62 C61 C74 118.6(5) 2_755 . ?
C62 C61 C74 118.6(5) . . ?
C61 C62 N72 125.1(7) . . ?
C61 C62 C63 124.4(6) . . ?
N72 C62 C63 110.0(6) . . ?
C64 C63 C62 106.9(6) . . ?
C64 C63 H63 126.5 . . ?
C62 C63 H63 126.5 . . ?
C63 C64 C65 107.9(7) . . ?
C63 C64 H64 126.1 . . ?
C65 C64 H64 126.1 . . ?
N72 C65 C66 125.9(6) . . ?
N72 C65 C64 110.4(6) . . ?
C66 C65 C64 123.4(7) . . ?
C67 C66 C65 122.3(7) . . ?
C67 C66 C80 118.1(6) . . ?
C65 C66 C80 119.6(6) . . ?
N73 C67 C66 126.1(6) . . ?
N73 C67 C68 110.8(6) . . ?
C66 C67 C68 123.1(7) . . ?
C69 C68 C67 107.2(7) . . ?
C69 C68 H68 126.4 . . ?
C67 C68 H68 126.4 . . ?
C68 C69 C70 106.7(6) . . ?
C68 C69 H69 126.7 . . ?
C70 C69 H69 126.7 . . ?
N73 C70 C71 126.6(6) . . ?
N73 C70 C69 110.9(6) . . ?
C71 C70 C69 122.3(6) . . ?
C70 C71 C70 120.9(8) 2_755 . ?
C70 C71 C89 119.6(4) 2_755 . ?
C70 C71 C89 119.5(4) . . ?
C65 N72 C62 104.7(5) . . ?
C65 N72 Cu2 127.1(4) . . ?
C62 N72 Cu2 128.2(4) . . ?
C67 N73 C70 104.4(5) . . ?
C67 N73 Cu2 128.0(4) . . ?
C70 N73 Cu2 127.6(5) . . ?
C75 C74 C75 116.0(9) . 2_755 ?
C75 C74 C61 122.0(4) . . ?
C75 C74 C61 122.0(4) 2_755 . ?
C76 C75 C74 122.1(7) . . ?
C76 C75 H75 118.9 . . ?
C74 C75 H75 118.9 . . ?
C75 C76 C77 123.0(7) . . ?
C75 C76 H76 118.5 . . ?
C77 C76 H76 118.5 . . ?
C76 C77 C76 113.7(7) 2_755 . ?
C76 C77 C78 123.1(4) 2_755 . ?
C76 C77 C78 123.1(4) . . ?
O79 C78 O79 120.1(6) . 2_755 ?
O79 C78 C77 119.9(3) . . ?
O79 C78 C77 119.9(3) 2_755 . ?
C78 O79 Dy1 143.5(4) . 2_765 ?
C85 C80 C81 116.6(7) . . ?
C85 C80 C66 122.1(7) . . ?
C81 C80 C66 121.1(7) . . ?
C80 C81 C82 118.6(9) . . ?
C80 C81 H81 120.7 . . ?
C82 C81 H81 120.7 . . ?
C83 C82 C81 124.7(8) . . ?
C83 C82 H82 117.6 . . ?
C81 C82 H82 117.6 . . ?
C84 C83 C82 112.9(7) . . ?
C84 C83 C86 124.2(10) . . ?
C82 C83 C86 122.8(10) . . ?
C83 C84 C85 124.6(9) . . ?
C83 C84 H84 117.7 . . ?
C85 C84 H84 117.7 . . ?
C80 C85 C84 122.4(8) . . ?
C80 C85 H85 118.8 . . ?
C84 C85 H85 118.8 . . ?
O88 C86 O87 119.1(8) . . ?
O88 C86 C83 122.7(11) . . ?
O87 C86 C83 118.1(11) . . ?
C86 O88 Dy2 130.3(7) . 2_755 ?
C90 C89 C90 118.4(9) 2_755 . ?
C90 C89 C71 120.8(4) 2_755 . ?
C90 C89 C71 120.8(4) . . ?
C89 C90 C91 121.6(7) . . ?
C89 C90 H90 119.2 . . ?
C91 C90 H90 119.2 . . ?
C90 C91 C92 120.1(7) . . ?
C90 C91 H91 120.0 . . ?
C92 C91 H91 120.0 . . ?
C91 C92 C91 118.3(9) 2_755 . ?
C91 C92 C93 120.8(4) 2_755 . ?
C91 C92 C93 120.8(4) . . ?
O94 C93 O94 123.5(9) 2_755 . ?
O94 C93 C92 118.2(4) 2_755 . ?
O94 C93 C92 118.2(4) . . ?
C93 O94 Dy1 141.7(5) . . ?
N73 Cu2 N73 90.5(3) 2_755 . ?
N73 Cu2 N72 90.0(2) 2_755 2_755 ?
N73 Cu2 N72 176.3(2) . 2_755 ?
N73 Cu2 N72 176.3(2) 2_755 . ?
N73 Cu2 N72 90.0(2) . . ?
N72 Cu2 N72 89.7(3) 2_755 . ?
C96 O95 Dy1 132.0(5) . . ?
O95 C96 N97 127.1(9) . . ?
O95 C96 H96 116.5 . . ?
N97 C96 H96 116.5 . . ?
C96 N97 C98 123.1(8) . . ?
C96 N97 C99 121.0(8) . . ?
C98 N97 C99 115.8(7) . . ?
N97 C98 H98A 109.5 . . ?
N97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
N97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
N97 C99 H99A 109.5 . . ?
N97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
N97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
Dy2 O100 HOA 109.2 . . ?
Dy2 O100 HOB 109.3 . . ?
HOA O100 HOB 109.5 . . ?
Dy2 O101 H10A 109.2 . . ?
Dy2 O101 H10B 109.0 . . ?
H10A O101 H10B 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O33 2.251(4) 2_755 ?
Dy1 O32 2.332(4) . ?
Dy1 O79 2.355(4) 2_745 ?
Dy1 O94 2.349(4) . ?
Dy1 O42 2.364(5) 6 ?
Dy1 O50 2.399(4) 7_656 ?
Dy1 O95 2.414(5) . ?
Dy2 O88 2.293(6) 2_755 ?
Dy2 O100 2.379(7) . ?
Dy2 O41 2.388(5) 1_565 ?
Dy2 O101 2.402(6) . ?
Dy2 O59 2.401(5) . ?
Dy2 O50 2.454(4) 4_656 ?
Dy2 O60 2.472(5) . ?
Dy2 O51 2.544(4) 4_656 ?
Dy2 O42 2.766(5) 1_565 ?
Dy2 C58 2.797(8) . ?
Dy2 C49 2.867(7) 4_656 ?
Dy2 C40 2.928(7) 1_565 ?
C1 N21 1.386(8) . ?
C1 C20 1.388(9) . ?
C1 C2 1.433(9) . ?
C2 C3 1.361(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.439(9) . ?
C3 H3 0.9500 . ?
C4 N21 1.383(8) . ?
C4 C5 1.402(9) . ?
C5 C6 1.394(9) . ?
C5 C25 1.479(9) . ?
C6 N22 1.364(8) . ?
C6 C7 1.443(9) . ?
C7 C8 1.346(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.450(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(9) . ?
C9 N22 1.397(8) . ?
C10 C11 1.385(9) . ?
C10 C34 1.493(9) . ?
C11 N23 1.358(8) . ?
C11 C12 1.448(9) . ?
C12 C13 1.329(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.421(9) . ?
C13 H13 0.9500 . ?
C14 N23 1.383(8) . ?
C14 C15 1.390(9) . ?
C15 C16 1.407(9) . ?
C15 C43 1.495(9) . ?
C16 N24 1.355(8) . ?
C16 C17 1.417(9) . ?
C17 C18 1.347(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.433(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(10) . ?
C19 N24 1.394(8) . ?
C20 C52 1.519(9) . ?
N21 Cu1 1.928(5) . ?
N22 Cu1 1.942(5) . ?
N23 Cu1 1.939(5) . ?
N24 Cu1 1.942(5) . ?
C25 C26 1.359(10) . ?
C25 C30 1.405(10) . ?
C26 C27 1.382(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.398(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.389(9) . ?
C28 C31 1.489(9) . ?
C29 C30 1.369(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 O32 1.256(8) . ?
C31 O33 1.275(8) . ?
O33 Dy1 2.251(4) 2_755 ?
C34 C39 1.383(10) . ?
C34 C35 1.417(10) . ?
C35 C36 1.416(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.410(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.362(9) . ?
C37 C40 1.472(10) . ?
C38 C39 1.384(9) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 O41 1.242(9) . ?
C40 O42 1.273(9) . ?
C40 Dy2 2.928(7) 1_545 ?
O41 Dy2 2.388(5) 1_545 ?
O42 Dy1 2.364(5) 6_556 ?
O42 Dy2 2.766(5) 1_545 ?
C43 C48 1.378(9) . ?
C43 C44 1.399(9) . ?
C44 C45 1.372(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.375(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.398(9) . ?
C46 C49 1.461(9) . ?
C47 C48 1.394(9) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 O51 1.236(8) . ?
C49 O50 1.308(8) . ?
C49 Dy2 2.867(7) 4_646 ?
O50 Dy1 2.399(4) 7_656 ?
O50 Dy2 2.454(4) 4_646 ?
O51 Dy2 2.544(4) 4_646 ?
C52 C53 1.384(9) . ?
C52 C57 1.394(9) . ?
C53 C54 1.407(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.369(11) . ?
C54 H54 0.9500 . ?
C55 C56 1.381(11) . ?
C55 C58 1.502(11) . ?
C56 C57 1.375(10) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 O59 1.251(10) . ?
C58 O60 1.285(9) . ?
C61 C62 1.397(8) 2_755 ?
C61 C62 1.397(8) . ?
C61 C74 1.509(13) . ?
C62 N72 1.392(8) . ?
C62 C63 1.444(9) . ?
C63 C64 1.333(9) . ?
C63 H63 0.9500 . ?
C64 C65 1.433(9) . ?
C64 H64 0.9500 . ?
C65 N72 1.380(8) . ?
C65 C66 1.394(9) . ?
C66 C67 1.388(9) . ?
C66 C80 1.479(9) . ?
C67 N73 1.362(8) . ?
C67 C68 1.432(9) . ?
C68 C69 1.346(9) . ?
C68 H68 0.9500 . ?
C69 C70 1.419(9) . ?
C69 H69 0.9500 . ?
C70 N73 1.390(8) . ?
C70 C71 1.408(8) . ?
C71 C70 1.408(8) 2_755 ?
C71 C89 1.478(12) . ?
N72 Cu2 1.971(5) . ?
N73 Cu2 1.969(5) . ?
C74 C75 1.393(9) . ?
C74 C75 1.393(9) 2_755 ?
C75 C76 1.360(9) . ?
C75 H75 0.9500 . ?
C76 C77 1.415(8) . ?
C76 H76 0.9500 . ?
C77 C76 1.415(8) 2_755 ?
C77 C78 1.410(10) . ?
C78 O79 1.283(5) . ?
C78 O79 1.283(5) 2_755 ?
O79 Dy1 2.355(4) 2_765 ?
C80 C85 1.347(11) . ?
C80 C81 1.397(10) . ?
C81 C82 1.421(12) . ?
C81 H81 0.9500 . ?
C82 C83 1.371(13) . ?
C82 H82 0.9500 . ?
C83 C84 1.361(12) . ?
C83 C86 1.409(14) . ?
C84 C85 1.380(11) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C86 O88 1.224(12) . ?
C86 O87 1.277(13) . ?
O88 Dy2 2.293(6) 2_755 ?
C89 C90 1.371(8) 2_755 ?
C89 C90 1.371(8) . ?
C90 C91 1.383(9) . ?
C90 H90 0.9500 . ?
C91 C92 1.393(8) . ?
C91 H91 0.9500 . ?
C92 C91 1.393(8) 2_755 ?
C92 C93 1.498(13) . ?
C93 O94 1.248(6) 2_755 ?
C93 O94 1.249(6) . ?
Cu2 N73 1.969(5) 2_755 ?
Cu2 N72 1.971(5) 2_755 ?
O95 C96 1.257(9) . ?
C96 N97 1.275(10) . ?
C96 H96 0.9500 . ?
N97 C98 1.447(10) . ?
N97 C99 1.478(10) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
O100 HOA 0.9800 . ?
O100 HOB 0.9800 . ?
O101 H10A 0.9800 . ?
O101 H10B 0.9800 . ?
