#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/92/2239294.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2239294
loop_
_publ_author_name
'Hua, Rong'
'Wu, Xiao-Liu'
'Li, Jin-Ying'
_publ_section_title
;
 Bis[2,6-bis(1H-pyrazol-1-yl)pyridine]decakis(μ₂-3-nitrobenzoato)bis(3-nitrobenzoato)tetradysprosium(III):
 a linear tetranuclear dysprosium compound based on mixed N- and O-donor
 ligands
;
_journal_coeditor_code           SU2704
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m162
_journal_page_last               m163
_journal_paper_doi               10.1107/S1600536814006060
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Dy4 (C7 H4 N O4)12 (C11 H9 N5)2]'
_chemical_formula_moiety         'C106 H66 Dy4 N22 O48'
_chemical_formula_sum            'C106 H66 Dy4 N22 O48'
_chemical_formula_weight         3065.81
_chemical_name_systematic
Bis[2,6-bis(1H-pyrazol-1-yl)pyridine]decakis(μ₂-3-nitrobenzoato)bis(3-nitrobenzoato)tetradysprosium(III)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                100.443(2)
_cell_angle_beta                 111.7540(10)
_cell_angle_gamma                99.695(2)
_cell_formula_units_Z            1
_cell_length_a                   14.2514(3)
_cell_length_b                   14.9274(5)
_cell_length_c                   14.9616(3)
_cell_measurement_reflns_used    9289
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.72
_cell_measurement_theta_min      2.56
_cell_volume                     2808.88(13)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX2 CCD area-detector'
_diffrn_measurement_method       'phi and 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  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0215
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42971
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    2.736
_exptl_absorpt_correction_T_max  0.6244
_exptl_absorpt_correction_T_min  0.6107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.669
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_reflns         11020
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0215
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0235P)²+2.1975P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0544
_refine_ls_wR_factor_ref         0.0584
_reflns_number_gt                9747
_reflns_number_total             11020
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su2704sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2808.87(12)
_cod_database_code               2239294
_cod_database_fobs_code          2239294
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy Dy1 0.288330(10) 0.971100(10) 0.243890(10) 0.03400(10) Uani d . 1.000 . .
Dy Dy2 0.084450(10) 0.647720(10) 0.063880(10) 0.02930(10) Uani d . 1.000 . .
O O1 0.40358(19) 1.09572(16) 0.2241(2) 0.0577(9) Uani d . 1.000 A .
O O2 0.47835(18) 1.01655(16) 0.32745(18) 0.0527(8) Uani d . 1.000 A .
O O3 0.9290(2) 1.0903(3) 0.3411(3) 0.0988(15) Uani d . 1.000 . .
O O4 0.8535(3) 1.0435(3) 0.4309(3) 0.0911(16) Uani d . 1.000 . .
O O5 0.12405(17) 0.91358(14) 0.23748(18) 0.0488(7) Uani d . 1.000 A .
O O6 0.04254(16) 0.78523(13) 0.11067(16) 0.0395(7) Uani d . 1.000 A .
O O7 -0.3214(3) 0.5943(3) 0.1974(3) 0.1315(19) Uani d . 1.000 . .
O O8 -0.2587(2) 0.5695(2) 0.0899(3) 0.0816(11) Uani d . 1.000 . .
O O9 0.31791(19) 0.85744(14) 0.32943(17) 0.0510(8) Uani d . 1.000 A .
O O10 0.2210(13) 0.7314(10) 0.2201(14) 0.052(3) Uani d P 0.552(6) A 1
O O11 0.2006(12) 0.4349(6) 0.3129(7) 0.108(4) Uani d P 0.552(6) A 1
O O12 0.3409(4) 0.4208(3) 0.4299(4) 0.138(2) Uani d . 1.000 A .
O O13 0.32544(18) 0.87284(14) 0.13393(18) 0.0486(7) Uani d . 1.000 A .
O O14 0.2068(17) 0.7471(12) 0.0279(17) 0.042(3) Uani d P 0.552(6) A 1
O O15 0.7221(3) 0.8169(3) 0.0730(4) 0.121(2) Uani d . 1.000 A .
O O16 0.6931(6) 0.9069(6) 0.1817(8) 0.118(3) Uani d UP 0.552(6) A 1
O O17 -0.02219(19) 0.43184(17) -0.15496(19) 0.0551(8) Uani d . 1.000 . .
O O18 0.0549(2) 0.58560(17) -0.10098(17) 0.0579(8) Uani d . 1.000 A .
O O19 -0.093(5) 0.274(3) -0.499(4) 0.124(9) Uani d P 0.552(6) A 1
O O20 0.002(3) 0.310(3) -0.564(3) 0.131(10) Uani d P 0.552(6) A 1
O O21 0.1757(2) 0.53620(17) 0.0789(2) 0.0587(9) Uani d . 1.000 A .
O O22 0.09576(17) 0.38329(17) 0.02968(18) 0.0543(8) Uani d . 1.000 . .
O O23 0.5378(9) 0.6545(7) 0.2803(8) 0.097(3) Uani d UP 0.552(6) A 1
O O24 0.6252(6) 0.5694(7) 0.3608(7) 0.096(2) Uani d UP 0.552(6) A 1
N N1 0.3146(3) 1.06292(18) 0.4102(2) 0.0534(10) Uani d . 1.000 A .
N N2 0.2726(3) 1.13707(19) 0.4196(3) 0.0622(11) Uani d . 1.000 . .
N N3 0.2018(2) 1.10703(16) 0.2480(2) 0.0447(9) Uani d . 1.000 A .
N N4 0.1392(2) 1.06919(19) 0.0772(2) 0.0512(9) Uani d . 1.000 . .
N N5 0.1847(2) 0.9962(2) 0.0805(2) 0.0485(9) Uani d . 1.000 A .
N N6 0.8551(3) 1.0784(3) 0.3639(3) 0.0704(14) Uani d . 1.000 . .
N N7 -0.2562(2) 0.6148(2) 0.1655(3) 0.0654(13) Uani d . 1.000 . .
N N8 0.2854(5) 0.4694(3) 0.3926(5) 0.101(2) Uani d . 1.000 . .
N N9 0.6611(3) 0.8432(3) 0.1008(4) 0.110(2) Uani d . 1.000 . .
N N10 -0.030(5) 0.329(5) -0.505(2) 0.087(9) Uani d P 0.552(6) A 1
N N11 0.5474(8) 0.5820(7) 0.2990(9) 0.065(3) Uani d UP 0.552(6) A 1
C C1 0.4830(3) 1.0713(2) 0.2735(2) 0.0456(10) Uani d . 1.000 A .
C C2 0.5837(3) 1.1049(2) 0.2650(3) 0.0485(10) Uani d . 1.000 . .
C C3 0.6724(3) 1.0806(2) 0.3206(3) 0.0491(11) Uani d . 1.000 . .
C C4 0.7627(3) 1.1081(2) 0.3079(3) 0.0557(11) Uani d . 1.000 . .
C C5 0.7681(4) 1.1602(3) 0.2423(3) 0.0727(17) Uani d . 1.000 . .
C C6 0.6801(4) 1.1851(4) 0.1880(4) 0.0850(17) Uani d . 1.000 . .
C C7 0.5876(3) 1.1573(3) 0.1984(3) 0.0684(14) Uani d . 1.000 . .
C C8 0.0542(2) 0.83835(19) 0.1921(2) 0.0368(9) Uani d . 1.000 . .
C C9 -0.0221(2) 0.8101(2) 0.2355(2) 0.0398(9) Uani d . 1.000 . .
C C10 -0.1026(2) 0.7295(2) 0.1832(2) 0.0413(10) Uani d . 1.000 . .
C C11 -0.1725(3) 0.7025(2) 0.2226(3) 0.0513(11) Uani d . 1.000 . .
C C12 -0.1656(4) 0.7535(3) 0.3120(3) 0.0702(17) Uani d . 1.000 . .
C C13 -0.0863(4) 0.8335(3) 0.3631(3) 0.0757(17) Uani d . 1.000 . .
C C14 -0.0138(3) 0.8627(3) 0.3259(3) 0.0596(14) Uani d . 1.000 . .
C C15 0.2815(2) 0.7701(2) 0.3055(2) 0.0427(9) Uani d . 1.000 . .
C C16 0.3276(2) 0.7174(2) 0.3800(2) 0.0411(9) Uani d . 1.000 A .
C C17 0.2849(3) 0.6216(2) 0.3564(3) 0.0490(11) Uani d . 1.000 . .
C C18 0.3326(4) 0.5723(2) 0.4209(3) 0.0654(13) Uani d . 1.000 A .
C C19 0.4211(5) 0.6131(3) 0.5060(4) 0.091(2) Uani d . 1.000 . .
C C20 0.4609(4) 0.7092(4) 0.5317(3) 0.0933(19) Uani d . 1.000 A .
C C21 0.4127(3) 0.7618(3) 0.4685(3) 0.0651(13) Uani d . 1.000 . .
C C22 0.3011(2) 0.7914(2) 0.0792(2) 0.0404(10) Uani d . 1.000 . .
C C23 0.3859(2) 0.7554(2) 0.0603(2) 0.0392(9) Uani d . 1.000 A .
C C24 0.4835(3) 0.8154(2) 0.0919(3) 0.0534(11) Uani d . 1.000 . .
C C25 0.5576(3) 0.7806(3) 0.0687(3) 0.0627(14) Uani d . 1.000 A .
C C26 0.5394(3) 0.6899(3) 0.0168(3) 0.0631(14) Uani d . 1.000 . .
C C27 0.4431(3) 0.6301(3) -0.0120(3) 0.0621(13) Uani d . 1.000 A .
C C28 0.3669(3) 0.6623(2) 0.0094(3) 0.0500(11) Uani d . 1.000 . .
C C29 0.0260(2) 0.5067(2) -0.1618(2) 0.0413(10) Uani d . 1.000 . .
C C30 0.0528(2) 0.5006(2) -0.2499(2) 0.0413(10) Uani d . 1.000 . .
C C31 0.0034(3) 0.4220(2) -0.3311(3) 0.0508(11) Uani d . 1.000 A .
C C32 0.0345(4) 0.4164(3) -0.4083(3) 0.0675(16) Uani d . 1.000 . .
C C33 0.1132(4) 0.4829(4) -0.4071(4) 0.084(2) Uani d . 1.000 A .
C C34 0.1607(4) 0.5611(4) -0.3273(4) 0.086(2) Uani d . 1.000 . .
C C35 0.1301(3) 0.5707(3) -0.2492(3) 0.0609(12) Uani d . 1.000 A .
C C36 0.1746(2) 0.4516(2) 0.0751(2) 0.0399(9) Uani d . 1.000 . .
C C37 0.2766(2) 0.4314(2) 0.1309(2) 0.0368(9) Uani d . 1.000 . .
C C38 0.3648(3) 0.5048(2) 0.1863(2) 0.0483(10) Uani d . 1.000 A .
C C39 0.4567(3) 0.4834(4) 0.2389(3) 0.0678(16) Uani d . 1.000 . .
C C40 0.4638(4) 0.3935(5) 0.2368(4) 0.086(2) Uani d . 1.000 A .
C C41 0.3769(4) 0.3214(4) 0.1822(4) 0.0787(17) Uani d . 1.000 . .
C C42 0.2830(3) 0.3397(2) 0.1286(3) 0.0535(11) Uani d . 1.000 A .
C C43 0.3712(4) 1.0616(3) 0.5023(3) 0.0725(14) Uani d . 1.000 . .
C C44 0.3677(6) 1.1353(4) 0.5717(4) 0.105(2) Uani d . 1.000 . .
C C45 0.3065(5) 1.1821(3) 0.5178(4) 0.097(2) Uani d . 1.000 A .
C C46 0.2056(3) 1.1571(2) 0.3338(3) 0.0560(13) Uani d . 1.000 A .
C C47 0.1488(4) 1.2217(3) 0.3384(5) 0.084(2) Uani d . 1.000 . .
C C48 0.0890(4) 1.2382(3) 0.2532(6) 0.096(2) Uani d . 1.000 . .
C C49 0.0825(3) 1.1894(3) 0.1616(4) 0.0776(16) Uani d . 1.000 . .
C C50 0.1413(3) 1.1238(2) 0.1650(3) 0.0510(13) Uani d . 1.000 A .
C C51 0.0960(3) 1.0761(3) -0.0173(3) 0.0741(16) Uani d . 1.000 A .
C C52 0.1132(3) 1.0081(3) -0.0761(3) 0.0746(16) Uani d . 1.000 . .
C C53 0.1689(3) 0.9601(3) -0.0123(3) 0.0605(12) Uani d . 1.000 . .
O O20' 0.038(4) 0.335(4) -0.545(3) 0.131(10) Uani d P 0.448(6) A 2
O O23' 0.5492(14) 0.6242(11) 0.3178(12) 0.097(3) Uani d P 0.448(6) A 2
O O10' 0.1998(17) 0.7139(14) 0.2273(18) 0.052(3) Uani d P 0.448(6) A 2
O O11' 0.1934(14) 0.4500(8) 0.3720(15) 0.126(7) Uani d P 0.448(6) A 2
O O14' 0.214(2) 0.7289(15) 0.042(2) 0.042(3) Uani d P 0.448(6) A 2
O O16' 0.6648(8) 0.9344(7) 0.1136(10) 0.118(3) Uani d P 0.448(6) A 2
O O19' -0.108(7) 0.296(3) -0.508(5) 0.124(9) Uani d P 0.448(6) A 2
N N10' -0.007(6) 0.337(6) -0.483(3) 0.087(9) Uani d P 0.448(6) A 2
N N11' 0.5531(11) 0.5397(8) 0.3049(11) 0.065(3) Uani d P 0.448(6) A 2
O O24' 0.6316(8) 0.5128(8) 0.3434(9) 0.096(2) Uani d P 0.448(6) A 2
H H3 0.67110 1.04600 0.36610 0.0590 Uiso c R 1.000 . .
H H5 0.83000 1.17830 0.23490 0.0870 Uiso c R 1.000 . .
H H24 0.49880 0.87770 0.12780 0.0640 Uiso c R 1.000 A .
H H26 0.59090 0.66910 0.00150 0.0750 Uiso c R 1.000 A .
H H27 0.42910 0.56750 -0.04620 0.0740 Uiso c R 1.000 . .
H H28 0.30180 0.62110 -0.01060 0.0600 Uiso c R 1.000 A .
H H31 -0.04940 0.37430 -0.33330 0.0610 Uiso c R 1.000 . .
H H33 0.13420 0.47550 -0.45920 0.1010 Uiso c R 1.000 . .
H H34 0.21380 0.60800 -0.32560 0.1040 Uiso c R 1.000 A .
H H35 0.16180 0.62460 -0.19590 0.0730 Uiso c R 1.000 . .
H H38 0.36230 0.56690 0.18820 0.0580 Uiso c R 1.000 . .
H H40 0.52730 0.38150 0.27230 0.1040 Uiso c R 1.000 . .
H H41 0.38060 0.25960 0.18070 0.0940 Uiso c R 1.000 A .
H H42 0.22380 0.28990 0.09100 0.0640 Uiso c R 1.000 . .
H H43 0.40860 1.01710 0.51870 0.0870 Uiso c R 1.000 . .
H H44 0.40090 1.14910 0.64090 0.1260 Uiso c R 1.000 . .
H H45 0.29000 1.23600 0.54300 0.1160 Uiso c R 1.000 . .
H H47 0.15160 1.25350 0.39920 0.1010 Uiso c R 1.000 . .
H H48 0.05110 1.28300 0.25520 0.1150 Uiso c R 1.000 . .
H H49 0.04120 1.20010 0.10180 0.0930 Uiso c R 1.000 . .
H H51 0.06030 1.12050 -0.03800 0.0890 Uiso c R 1.000 . .
H H52 0.09250 0.99570 -0.14480 0.0890 Uiso c R 1.000 . .
H H53 0.19210 0.90890 -0.03280 0.0730 Uiso c R 1.000 . .
H H6 0.68240 1.22100 0.14370 0.1020 Uiso c R 1.000 . .
H H7 0.52810 1.17390 0.16060 0.0820 Uiso c R 1.000 . .
H H10 -0.10950 0.69400 0.12220 0.0500 Uiso c R 1.000 . .
H H12 -0.21400 0.73400 0.33710 0.0850 Uiso c R 1.000 . .
H H13 -0.08070 0.86890 0.42360 0.0910 Uiso c R 1.000 . .
H H14 0.04010 0.91730 0.36140 0.0720 Uiso c R 1.000 . .
H H17 0.22510 0.59130 0.29830 0.0590 Uiso c R 1.000 A .
H H19 0.45400 0.57680 0.54590 0.1100 Uiso c R 1.000 A .
H H20 0.51960 0.73910 0.59090 0.1110 Uiso c R 1.000 . .
H H21 0.43840 0.82700 0.48640 0.0780 Uiso c R 1.000 A .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Dy1 O2 . . 53.79(9) no
O1 Dy1 O5 . . 146.83(9) no
O1 Dy1 O9 . . 132.71(10) no
O1 Dy1 O13 . . 85.78(9) no
O1 Dy1 N1 . . 92.97(10) no
O1 Dy1 N3 . . 76.10(9) no
O1 Dy1 N5 . . 75.17(10) no
O2 Dy1 O5 . . 152.54(8) no
O2 Dy1 O9 . . 79.08(9) no
O2 Dy1 O13 . . 80.33(9) no
O2 Dy1 N1 . . 79.47(12) no
O2 Dy1 N3 . . 115.08(9) no
O2 Dy1 N5 . . 124.91(9) no
O5 Dy1 O9 . . 78.83(9) no
O5 Dy1 O13 . . 112.50(9) no
O5 Dy1 N1 . . 81.09(11) no
O5 Dy1 N3 . . 72.07(8) no
O5 Dy1 N5 . . 82.41(9) no
O9 Dy1 O13 . . 82.31(8) no
O9 Dy1 N1 . . 80.84(9) no
O9 Dy1 N3 . . 136.38(9) no
O9 Dy1 N5 . . 143.44(9) no
O13 Dy1 N1 . . 155.77(11) no
O13 Dy1 N3 . . 138.76(8) no
O13 Dy1 N5 . . 76.31(9) no
N1 Dy1 N3 . . 63.33(10) no
N1 Dy1 N5 . . 126.76(10) no
N3 Dy1 N5 . . 63.43(9) no
O6 Dy2 O10 . . 74.2(4) no
O6 Dy2 O14 . . 83.5(5) no
O6 Dy2 O18 . . 120.81(8) no
O6 Dy2 O21 . . 157.47(9) no
O6 Dy2 O10' . . 74.9(6) no
O6 Dy2 O14' . . 89.4(7) no
O6 Dy2 O17 . 2_565 96.50(9) no
O6 Dy2 O22 . 2_565 75.08(9) no
O10 Dy2 O14 . . 74.4(7) no
O10 Dy2 O18 . . 141.0(5) no
O10 Dy2 O21 . . 83.4(4) no
O10 Dy2 O17 . 2_565 84.3(4) no
O10 Dy2 O22 . 2_565 143.1(5) no
O14 Dy2 O18 . . 72.3(5) no
O14 Dy2 O21 . . 92.8(5) no
O14 Dy2 O17 . 2_565 157.9(6) no
O14 Dy2 O22 . 2_565 121.6(6) no
O18 Dy2 O21 . . 78.58(10) no
O10' Dy2 O18 . . 149.3(7) no
O14' Dy2 O18 . . 74.0(7) no
O17 Dy2 O18 2_565 . 124.71(9) no
O18 Dy2 O22 . 2_565 73.73(10) no
O10' Dy2 O21 . . 82.6(6) no
O14' Dy2 O21 . . 85.2(7) no
O17 Dy2 O21 2_565 . 78.66(10) no
O21 Dy2 O22 . 2_565 124.61(9) no
O10' Dy2 O14' . . 80.4(9) no
O10' Dy2 O17 . 2_565 74.1(6) no
O10' Dy2 O22 . 2_565 136.8(7) no
O14' Dy2 O17 . 2_565 151.3(7) no
O14' Dy2 O22 . 2_565 129.3(7) no
O17 Dy2 O22 2_565 2_565 79.31(9) no
Dy1 O1 C1 . . 92.2(2) no
Dy1 O2 C1 . . 90.7(2) no
Dy1 O5 C8 . . 134.5(2) no
Dy2 O6 C8 . . 135.76(19) no
Dy1 O9 C15 . . 133.2(2) no
Dy2 O10 C15 . . 171.1(14) no
Dy2 O10' C15 . . 159.6(16) no
Dy1 O13 C22 . . 145.6(2) no
Dy2 O14 C22 . . 132.3(14) no
Dy2 O14' C22 . . 148.8(19) no
Dy2 O17 C29 2_565 . 149.3(2) no
Dy2 O18 C29 . . 138.4(2) no
Dy2 O21 C36 . . 147.8(2) no
Dy2 O22 C36 2_565 . 139.9(2) no
Dy1 N1 N2 . . 120.7(2) no
Dy1 N1 C43 . . 133.6(3) no
N2 N1 C43 . . 105.4(3) no
N1 N2 C45 . . 109.9(4) no
C45 N2 C46 . . 130.3(4) no
N1 N2 C46 . . 119.8(3) no
Dy1 N3 C50 . . 121.3(2) no
Dy1 N3 C46 . . 121.2(2) no
C46 N3 C50 . . 117.0(3) no
N5 N4 C51 . . 110.3(3) no
N5 N4 C50 . . 120.0(3) no
C50 N4 C51 . . 129.7(3) no
N4 N5 C53 . . 104.9(3) no
Dy1 N5 N4 . . 119.76(19) no
Dy1 N5 C53 . . 134.9(3) no
O4 N6 C4 . . 117.9(4) no
O3 N6 C4 . . 118.3(4) no
O3 N6 O4 . . 123.8(5) no
O7 N7 O8 . . 123.3(4) no
O7 N7 C11 . . 117.2(4) no
O8 N7 C11 . . 119.5(3) no
O11 N8 O12 . . 122.2(7) no
O11' N8 O12 . . 121.9(9) no
O11' N8 C18 . . 113.0(8) no
O11 N8 C18 . . 117.5(6) no
O12 N8 C18 . . 117.5(6) no
O15 N9 O16' . . 116.4(7) no
O15 N9 O16 . . 120.0(6) no
O15 N9 C25 . . 119.6(5) no
O16' N9 C25 . . 115.4(7) no
O16 N9 C25 . . 115.8(6) no
O19 N10 C32 . . 116(4) no
O20 N10 C32 . . 121(6) no
O19 N10 O20 . . 121(6) no
O19' N10' C32 . . 115(6) no
O19' N10' O20' . . 125(5) no
O20' N10' C32 . . 113(7) no
O23 N11 C39 . . 122.6(11) no
O24 N11 C39 . . 111.3(9) no
O23 N11 O24 . . 126.0(12) no
O23' N11' C39 . . 108.9(14) no
O24' N11' C39 . . 125.9(12) no
O23' N11' O24' . . 125.1(16) no
O1 C1 C2 . . 119.5(3) no
O2 C1 C2 . . 119.5(3) no
O1 C1 O2 . . 121.0(4) no
C1 C2 C3 . . 120.2(3) no
C3 C2 C7 . . 119.4(4) no
C1 C2 C7 . . 120.3(4) no
C2 C3 C4 . . 119.3(3) no
C3 C4 C5 . . 122.1(4) no
N6 C4 C3 . . 118.9(3) no
N6 C4 C5 . . 119.0(4) no
C4 C5 C6 . . 118.4(5) no
C5 C6 C7 . . 120.7(5) no
C2 C7 C6 . . 120.1(4) no
O6 C8 C9 . . 117.8(3) no
O5 C8 O6 . . 124.0(3) no
O5 C8 C9 . . 118.2(3) no
C8 C9 C14 . . 121.9(3) no
C10 C9 C14 . . 119.7(3) no
C8 C9 C10 . . 118.5(2) no
C9 C10 C11 . . 119.0(3) no
N7 C11 C12 . . 120.3(4) no
C10 C11 C12 . . 122.2(4) no
N7 C11 C10 . . 117.4(3) no
C11 C12 C13 . . 118.5(5) no
C12 C13 C14 . . 120.9(4) no
C9 C14 C13 . . 119.7(4) no
O9 C15 O10 . . 118.4(8) no
O9 C15 C16 . . 117.9(3) no
O9 C15 O10' . . 130.9(10) no
O10 C15 C16 . . 123.0(8) no
O10' C15 C16 . . 110.9(10) no
C15 C16 C21 . . 121.4(3) no
C17 C16 C21 . . 120.1(3) no
C15 C16 C17 . . 118.5(3) no
C16 C17 C18 . . 118.3(4) no
N8 C18 C19 . . 120.1(4) no
C17 C18 C19 . . 123.0(4) no
N8 C18 C17 . . 116.9(4) no
C18 C19 C20 . . 118.6(5) no
C19 C20 C21 . . 119.7(4) no
C16 C21 C20 . . 120.1(4) no
O14' C22 C23 . . 113.0(13) no
O14 C22 C23 . . 120.0(11) no
O13 C22 O14 . . 121.1(11) no
O13 C22 C23 . . 117.7(3) no
O13 C22 O14' . . 129.0(13) no
C22 C23 C28 . . 120.7(3) no
C24 C23 C28 . . 119.2(3) no
C22 C23 C24 . . 120.1(3) no
C23 C24 C25 . . 118.2(3) no
N9 C25 C24 . . 119.0(4) no
N9 C25 C26 . . 117.7(4) no
C24 C25 C26 . . 123.3(4) no
C25 C26 C27 . . 118.1(4) no
C26 C27 C28 . . 120.3(4) no
C23 C28 C27 . . 120.9(4) no
O17 C29 O18 . . 125.8(3) no
O17 C29 C30 . . 117.0(3) no
O18 C29 C30 . . 117.1(3) no
C29 C30 C31 . . 119.9(3) no
C29 C30 C35 . . 120.5(3) no
C31 C30 C35 . . 119.5(3) no
C30 C31 C32 . . 118.2(4) no
N10 C32 C33 . . 120(2) no
C31 C32 C33 . . 123.1(4) no
N10' C32 C31 . . 118(4) no
N10' C32 C33 . . 118(4) no
N10 C32 C31 . . 117(2) no
C32 C33 C34 . . 118.4(5) no
C33 C34 C35 . . 120.4(5) no
C30 C35 C34 . . 120.3(4) no
O21 C36 C37 . . 116.7(3) no
O21 C36 O22 . . 125.6(3) no
O22 C36 C37 . . 117.7(3) no
C38 C37 C42 . . 119.6(3) no
C36 C37 C38 . . 119.9(3) no
C36 C37 C42 . . 120.6(3) no
C37 C38 C39 . . 118.1(3) no
N11 C39 C40 . . 129.1(6) no
C38 C39 C40 . . 122.7(5) no
N11' C39 C38 . . 131.6(7) no
N11' C39 C40 . . 105.6(7) no
N11 C39 C38 . . 108.2(6) no
C39 C40 C41 . . 119.0(6) no
C40 C41 C42 . . 120.2(5) no
C37 C42 C41 . . 120.4(4) no
N1 C43 C44 . . 111.2(5) no
C43 C44 C45 . . 105.4(5) no
N2 C45 C44 . . 108.0(5) no
N2 C46 N3 . . 114.3(3) no
N2 C46 C47 . . 122.4(4) no
N3 C46 C47 . . 123.4(4) no
C46 C47 C48 . . 118.4(6) no
C47 C48 C49 . . 121.1(5) no
C48 C49 C50 . . 115.9(5) no
N3 C50 C49 . . 124.2(4) no
N4 C50 C49 . . 120.9(4) no
N3 C50 N4 . . 114.9(3) no
N4 C51 C52 . . 108.2(4) no
C51 C52 C53 . . 105.0(4) no
N5 C53 C52 . . 111.6(4) no
C2 C3 H3 . . 120.00 no
C4 C3 H3 . . 120.00 no
C4 C5 H5 . . 121.00 no
C6 C5 H5 . . 121.00 no
C5 C6 H6 . . 120.00 no
C7 C6 H6 . . 120.00 no
C2 C7 H7 . . 120.00 no
C6 C7 H7 . . 120.00 no
C9 C10 H10 . . 121.00 no
C11 C10 H10 . . 120.00 no
C11 C12 H12 . . 121.00 no
C13 C12 H12 . . 121.00 no
C12 C13 H13 . . 120.00 no
C14 C13 H13 . . 120.00 no
C9 C14 H14 . . 120.00 no
C13 C14 H14 . . 120.00 no
C16 C17 H17 . . 121.00 no
C18 C17 H17 . . 121.00 no
C18 C19 H19 . . 121.00 no
C20 C19 H19 . . 121.00 no
C19 C20 H20 . . 120.00 no
C21 C20 H20 . . 120.00 no
C16 C21 H21 . . 120.00 no
C20 C21 H21 . . 120.00 no
C23 C24 H24 . . 121.00 no
C25 C24 H24 . . 121.00 no
C25 C26 H26 . . 121.00 no
C27 C26 H26 . . 121.00 no
C26 C27 H27 . . 120.00 no
C28 C27 H27 . . 120.00 no
C23 C28 H28 . . 120.00 no
C27 C28 H28 . . 120.00 no
C30 C31 H31 . . 121.00 no
C32 C31 H31 . . 121.00 no
C32 C33 H33 . . 121.00 no
C34 C33 H33 . . 121.00 no
C33 C34 H34 . . 120.00 no
C35 C34 H34 . . 120.00 no
C30 C35 H35 . . 120.00 no
C34 C35 H35 . . 120.00 no
C37 C38 H38 . . 121.00 no
C39 C38 H38 . . 121.00 no
C39 C40 H40 . . 121.00 no
C41 C40 H40 . . 120.00 no
C40 C41 H41 . . 120.00 no
C42 C41 H41 . . 120.00 no
C37 C42 H42 . . 120.00 no
C41 C42 H42 . . 120.00 no
N1 C43 H43 . . 124.00 no
C44 C43 H43 . . 124.00 no
C43 C44 H44 . . 127.00 no
C45 C44 H44 . . 127.00 no
N2 C45 H45 . . 126.00 no
C44 C45 H45 . . 126.00 no
C46 C47 H47 . . 121.00 no
C48 C47 H47 . . 121.00 no
C47 C48 H48 . . 119.00 no
C49 C48 H48 . . 119.00 no
C48 C49 H49 . . 122.00 no
C50 C49 H49 . . 122.00 no
N4 C51 H51 . . 126.00 no
C52 C51 H51 . . 126.00 no
C51 C52 H52 . . 127.00 no
C53 C52 H52 . . 128.00 no
N5 C53 H53 . . 124.00 no
C52 C53 H53 . . 124.00 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Dy1 O1 . 2.404(3) no
Dy1 O2 . 2.433(3) no
Dy1 O5 . 2.314(3) no
Dy1 O9 . 2.307(2) no
Dy1 O13 . 2.274(3) no
Dy1 N1 . 2.472(3) no
Dy1 N3 . 2.549(3) no
Dy1 N5 . 2.478(3) no
Dy2 O6 . 2.294(2) no
Dy2 O10 . 2.358(19) no
Dy2 O14 . 2.38(2) no
Dy2 O18 . 2.322(2) no
Dy2 O21 . 2.272(3) no
Dy2 O10' . 2.29(2) no
Dy2 O14' . 2.20(3) no
Dy2 O17 2_565 2.277(3) no
Dy2 O22 2_565 2.339(3) no
O1 C1 . 1.256(5) no
O2 C1 . 1.259(4) no
O3 N6 . 1.218(6) no
O4 N6 . 1.216(6) no
O5 C8 . 1.249(4) no
O6 C8 . 1.263(4) no
O7 N7 . 1.213(6) no
O8 N7 . 1.193(5) no
O9 C15 . 1.250(4) no
O10 C15 . 1.207(19) no
O10' C15 . 1.32(2) no
O11 N8 . 1.283(14) no
O11' N8 . 1.20(2) no
O12 N8 . 1.215(8) no
O13 C22 . 1.247(4) no
O14 C22 . 1.26(2) no
O14' C22 . 1.28(3) no
O15 N9 . 1.186(7) no
O16 N9 . 1.267(12) no
O16' N9 . 1.329(12) no
O17 C29 . 1.251(4) no
O18 C29 . 1.247(4) no
O19 N10 . 1.15(10) no
O19' N10' . 1.34(13) no
O20 N10 . 1.15(7) no
O20' N10' . 1.31(9) no
O21 C36 . 1.251(4) no
O22 C36 . 1.249(4) no
O23 N11 . 1.183(15) no
O23' N11' . 1.26(2) no
O24 N11 . 1.222(15) no
O24' N11' . 1.23(2) no
N1 C43 . 1.320(5) no
N1 N2 . 1.354(5) no
N2 C45 . 1.360(7) no
N2 C46 . 1.406(6) no
N3 C46 . 1.340(5) no
N3 C50 . 1.319(5) no
N4 C51 . 1.348(5) no
N4 N5 . 1.358(4) no
N4 C50 . 1.402(5) no
N5 C53 . 1.313(5) no
N6 C4 . 1.465(6) no
N7 C11 . 1.476(5) no
N8 C18 . 1.482(6) no
N9 C25 . 1.459(7) no
N10 C32 . 1.60(5) no
N10' C32 . 1.34(6) no
N11 C39 . 1.632(13) no
N11' C39 . 1.369(16) no
C1 C2 . 1.498(6) no
C2 C3 . 1.381(6) no
C2 C7 . 1.385(6) no
C3 C4 . 1.376(6) no
C4 C5 . 1.374(6) no
C5 C6 . 1.372(8) no
C6 C7 . 1.388(8) no
C8 C9 . 1.500(4) no
C9 C10 . 1.380(4) no
C9 C14 . 1.387(5) no
C10 C11 . 1.374(5) no
C11 C12 . 1.374(6) no
C12 C13 . 1.365(7) no
C13 C14 . 1.389(7) no
C15 C16 . 1.497(4) no
C16 C17 . 1.380(4) no
C16 C21 . 1.373(5) no
C17 C18 . 1.369(5) no
C18 C19 . 1.361(8) no
C19 C20 . 1.375(8) no
C20 C21 . 1.397(7) no
C22 C23 . 1.499(4) no
C23 C24 . 1.378(5) no
C23 C28 . 1.386(5) no
C24 C25 . 1.377(6) no
C25 C26 . 1.362(6) no
C26 C27 . 1.370(6) no
C27 C28 . 1.375(6) no
C29 C30 . 1.494(4) no
C30 C31 . 1.385(5) no
C30 C35 . 1.381(6) no
C31 C32 . 1.376(7) no
C32 C33 . 1.359(8) no
C33 C34 . 1.370(8) no
C34 C35 . 1.384(7) no
C36 C37 . 1.497(4) no
C37 C42 . 1.382(4) no
C37 C38 . 1.379(5) no
C38 C39 . 1.380(6) no
C39 C40 . 1.358(9) no
C40 C41 . 1.357(9) no
C41 C42 . 1.384(7) no
C43 C44 . 1.391(8) no
C44 C45 . 1.337(9) no
C46 C47 . 1.368(7) no
C47 C48 . 1.338(10) no
C48 C49 . 1.392(9) no
C49 C50 . 1.388(6) no
C51 C52 . 1.336(6) no
C52 C53 . 1.390(6) no
C3 H3 . 0.9300 no
C5 H5 . 0.9300 no
C6 H6 . 0.9300 no
C7 H7 . 0.9300 no
C10 H10 . 0.9300 no
C12 H12 . 0.9300 no
C13 H13 . 0.9300 no
C14 H14 . 0.9300 no
C17 H17 . 0.9300 no
C19 H19 . 0.9300 no
C20 H20 . 0.9300 no
C21 H21 . 0.9300 no
C24 H24 . 0.9300 no
C26 H26 . 0.9300 no
C27 H27 . 0.9300 no
C28 H28 . 0.9300 no
C31 H31 . 0.9300 no
C33 H33 . 0.9300 no
C34 H34 . 0.9300 no
C35 H35 . 0.9300 no
C38 H38 . 0.9300 no
C40 H40 . 0.9300 no
C41 H41 . 0.9300 no
C42 H42 . 0.9300 no
C43 H43 . 0.9300 no
C44 H44 . 0.9300 no
C45 H45 . 0.9300 no
C47 H47 . 0.9300 no
C48 H48 . 0.9300 no
C49 H49 . 0.9300 no
C51 H51 . 0.9300 no
C52 H52 . 0.9300 no
C53 H53 . 0.9300 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C10 H10 O22 2_565 0.93 2.45 3.366(4) 170 yes
C43 H43 O2 2_676 0.93 2.47 3.212(5) 137 yes
C51 H51 O6 2_575 0.93 2.32 3.243(5) 172 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Dy1 O1 C1 . . . 8.58(18) no
O5 Dy1 O1 C1 . . . 161.44(18) no
O9 Dy1 O1 C1 . . . 3.0(2) no
O13 Dy1 O1 C1 . . . -72.5(2) no
N1 Dy1 O1 C1 . . . 83.2(2) no
N3 Dy1 O1 C1 . . . 144.8(2) no
N5 Dy1 O1 C1 . . . -149.5(2) no
O1 Dy1 O2 C1 . . . -8.55(18) no
O5 Dy1 O2 C1 . . . -155.8(2) no
O9 Dy1 O2 C1 . . . 167.2(2) no
O13 Dy1 O2 C1 . . . 83.29(19) no
N1 Dy1 O2 C1 . . . -110.2(2) no
N3 Dy1 O2 C1 . . . -56.4(2) no
N5 Dy1 O2 C1 . . . 17.6(2) no
O1 Dy1 O5 C8 . . . 124.8(3) no
O2 Dy1 O5 C8 . . . -108.2(3) no
O9 Dy1 O5 C8 . . . -71.2(3) no
O13 Dy1 O5 C8 . . . 5.6(3) no
N1 Dy1 O5 C8 . . . -153.5(3) no
N3 Dy1 O5 C8 . . . 141.8(3) no
N5 Dy1 O5 C8 . . . 77.3(3) no
O1 Dy1 O9 C15 . . . -130.3(3) no
O2 Dy1 O9 C15 . . . -135.0(3) no
O5 Dy1 O9 C15 . . . 61.5(3) no
O13 Dy1 O9 C15 . . . -53.4(3) no
N1 Dy1 O9 C15 . . . 144.1(3) no
N3 Dy1 O9 C15 . . . 110.0(3) no
N5 Dy1 O9 C15 . . . 1.0(4) no
O1 Dy1 O13 C22 . . . -168.1(4) no
O2 Dy1 O13 C22 . . . 137.9(4) no
O5 Dy1 O13 C22 . . . -16.7(4) no
O9 Dy1 O13 C22 . . . 57.7(4) no
N1 Dy1 O13 C22 . . . 104.0(4) no
N3 Dy1 O13 C22 . . . -104.9(4) no
N5 Dy1 O13 C22 . . . -92.4(4) no
O1 Dy1 N1 N2 . . . 72.0(3) no
O1 Dy1 N1 C43 . . . -101.8(4) no
O2 Dy1 N1 N2 . . . 124.3(3) no
O2 Dy1 N1 C43 . . . -49.5(4) no
O5 Dy1 N1 N2 . . . -75.2(3) no
O5 Dy1 N1 C43 . . . 111.0(4) no
O9 Dy1 N1 N2 . . . -155.2(3) no
O9 Dy1 N1 C43 . . . 31.0(4) no
O13 Dy1 N1 N2 . . . 158.3(3) no
O13 Dy1 N1 C43 . . . -15.5(6) no
N3 Dy1 N1 N2 . . . -0.8(3) no
N3 Dy1 N1 C43 . . . -174.7(5) no
N5 Dy1 N1 N2 . . . -1.7(4) no
N5 Dy1 N1 C43 . . . -175.5(4) no
O1 Dy1 N3 C46 . . . -105.0(3) no
O1 Dy1 N3 C50 . . . 83.1(3) no
O2 Dy1 N3 C46 . . . -67.0(3) no
O2 Dy1 N3 C50 . . . 121.1(3) no
O5 Dy1 N3 C46 . . . 84.4(3) no
O5 Dy1 N3 C50 . . . -87.4(3) no
O9 Dy1 N3 C46 . . . 33.8(3) no
O9 Dy1 N3 C50 . . . -138.0(3) no
O13 Dy1 N3 C46 . . . -171.6(3) no
O13 Dy1 N3 C50 . . . 16.5(3) no
N1 Dy1 N3 C46 . . . -4.4(3) no
N1 Dy1 N3 C50 . . . -176.3(3) no
N5 Dy1 N3 C46 . . . 174.8(3) no
N5 Dy1 N3 C50 . . . 3.0(3) no
O1 Dy1 N5 N4 . . . -79.5(2) no
O1 Dy1 N5 C53 . . . 91.4(4) no
O2 Dy1 N5 N4 . . . -101.1(2) no
O2 Dy1 N5 C53 . . . 69.8(4) no
O5 Dy1 N5 N4 . . . 75.8(2) no
O5 Dy1 N5 C53 . . . -113.3(4) no
O9 Dy1 N5 N4 . . . 135.3(2) no
O9 Dy1 N5 C53 . . . -53.8(4) no
O13 Dy1 N5 N4 . . . -168.7(3) no
O13 Dy1 N5 C53 . . . 2.2(4) no
N1 Dy1 N5 N4 . . . 3.0(3) no
N1 Dy1 N5 C53 . . . 173.9(4) no
N3 Dy1 N5 N4 . . . 2.1(2) no
N3 Dy1 N5 C53 . . . 173.0(4) no
O10 Dy2 O6 C8 . . . -34.4(5) no
O14 Dy2 O6 C8 . . . -110.0(6) no
O18 Dy2 O6 C8 . . . -174.9(3) no
O21 Dy2 O6 C8 . . . -28.2(4) no
O17 Dy2 O6 C8 2_565 . . 47.8(3) no
O22 Dy2 O6 C8 2_565 . . 124.9(3) no
O6 Dy2 O14 C22 . . . 92.0(19) no
O10 Dy2 O14 C22 . . . 16.6(18) no
O18 Dy2 O14 C22 . . . -143(2) no
O21 Dy2 O14 C22 . . . -65.7(19) no
O17 Dy2 O14 C22 2_565 . . 1(3) no
O22 Dy2 O14 C22 2_565 . . 160.0(16) no
O6 Dy2 O18 C29 . . . -142.6(3) no
O10 Dy2 O18 C29 . . . 114.0(7) no
O14 Dy2 O18 C29 . . . 146.6(7) no
O21 Dy2 O18 C29 . . . 49.8(4) no
O17 Dy2 O18 C29 2_565 . . -17.6(4) no
O22 Dy2 O18 C29 2_565 . . -81.7(4) no
O6 Dy2 O21 C36 . . . 124.1(4) no
O10 Dy2 O21 C36 . . . 130.1(6) no
O14 Dy2 O21 C36 . . . -155.9(7) no
O18 Dy2 O21 C36 . . . -84.6(4) no
O17 Dy2 O21 C36 2_565 . . 44.6(4) no
O22 Dy2 O21 C36 2_565 . . -23.7(5) no
O6 Dy2 O17 C29 . 2_565 2_565 139.3(5) no
O10 Dy2 O17 C29 . 2_565 2_565 -147.4(6) no
O14 Dy2 O17 C29 . 2_565 2_565 -131.9(15) no
O18 Dy2 O17 C29 . 2_565 2_565 4.4(5) no
O21 Dy2 O17 C29 . 2_565 2_565 -63.0(5) no
O6 Dy2 O22 C36 . 2_565 2_565 -157.9(3) no
O10 Dy2 O22 C36 . 2_565 2_565 -123.4(7) no
O14 Dy2 O22 C36 . 2_565 2_565 129.6(7) no
O18 Dy2 O22 C36 . 2_565 2_565 73.1(3) no
O21 Dy2 O22 C36 . 2_565 2_565 9.9(4) no
Dy1 O1 C1 O2 . . . -15.7(3) no
Dy1 O1 C1 C2 . . . 161.9(3) no
Dy1 O2 C1 O1 . . . 15.5(3) no
Dy1 O2 C1 C2 . . . -162.1(3) no
Dy1 O5 C8 C9 . . . 155.8(2) no
Dy1 O5 C8 O6 . . . -25.6(5) no
Dy2 O6 C8 C9 . . . -80.8(4) no
Dy2 O6 C8 O5 . . . 100.6(3) no
Dy1 O9 C15 C16 . . . 174.5(2) no
Dy1 O9 C15 O10 . . . 3.7(12) no
Dy1 O13 C22 C23 . . . -150.7(3) no
Dy1 O13 C22 O14 . . . 41.3(13) no
Dy2 O14 C22 O13 . . . -88.0(17) no
Dy2 O14 C22 C23 . . . 104.4(17) no
Dy2 O17 C29 C30 2_565 . . 170.0(3) no
Dy2 O17 C29 O18 2_565 . . -8.9(7) no
Dy2 O18 C29 O17 . . . 19.0(6) no
Dy2 O18 C29 C30 . . . -159.9(2) no
Dy2 O21 C36 C37 . . . -157.9(3) no
Dy2 O21 C36 O22 . . . 21.4(6) no
Dy2 O22 C36 C37 2_565 . . 176.2(2) no
Dy2 O22 C36 O21 2_565 . . -3.1(5) no
C43 N1 N2 C46 . . . -178.9(4) no
Dy1 N1 C43 C44 . . . 173.6(4) no
N2 N1 C43 C44 . . . -0.9(6) no
Dy1 N1 N2 C45 . . . -173.7(4) no
Dy1 N1 N2 C46 . . . 5.8(5) no
C43 N1 N2 C45 . . . 1.7(6) no
C46 N2 C45 C44 . . . 178.8(5) no
N1 N2 C46 C47 . . . 170.0(4) no
C45 N2 C46 C47 . . . -10.7(8) no
C45 N2 C46 N3 . . . 169.9(5) no
N1 N2 C45 C44 . . . -1.9(7) no
N1 N2 C46 N3 . . . -9.4(6) no
Dy1 N3 C46 N2 . . . 8.7(4) no
Dy1 N3 C50 N4 . . . -7.3(4) no
C46 N3 C50 N4 . . . -179.5(3) no
C50 N3 C46 C47 . . . 1.5(6) no
Dy1 N3 C50 C49 . . . 172.3(3) no
C46 N3 C50 C49 . . . 0.1(6) no
C50 N3 C46 N2 . . . -179.1(3) no
Dy1 N3 C46 C47 . . . -170.7(4) no
C51 N4 N5 C53 . . . 0.4(4) no
C51 N4 C50 C49 . . . 8.9(6) no
C50 N4 N5 C53 . . . 179.8(4) no
C51 N4 N5 Dy1 . . . 173.7(3) no
C50 N4 C51 C52 . . . -179.5(4) no
N5 N4 C51 C52 . . . -0.2(5) no
N5 N4 C50 C49 . . . -170.4(4) no
C50 N4 N5 Dy1 . . . -6.9(4) no
C51 N4 C50 N3 . . . -171.5(4) no
N5 N4 C50 N3 . . . 9.2(5) no
N4 N5 C53 C52 . . . -0.4(5) no
Dy1 N5 C53 C52 . . . -172.2(3) no
O3 N6 C4 C3 . . . 168.8(4) no
O3 N6 C4 C5 . . . -9.4(6) no
O4 N6 C4 C3 . . . -11.5(6) no
O4 N6 C4 C5 . . . 170.4(4) no
O8 N7 C11 C12 . . . -177.2(4) no
O8 N7 C11 C10 . . . 2.2(5) no
O7 N7 C11 C12 . . . 5.1(6) no
O7 N7 C11 C10 . . . -175.6(4) no
O11 N8 C18 C17 . . . -3.6(12) no
O11 N8 C18 C19 . . . 178.4(10) no
O12 N8 C18 C17 . . . 158.2(6) no
O12 N8 C18 C19 . . . -19.9(10) no
O16 N9 C25 C24 . . . 31.5(8) no
O15 N9 C25 C26 . . . 7.4(7) no
O15 N9 C25 C24 . . . -172.6(5) no
O16 N9 C25 C26 . . . -148.5(6) no
O20 N10 C32 C33 . . . 17(7) no
O19 N10 C32 C33 . . . 177(5) no
O20 N10 C32 C31 . . . -166(5) no
O19 N10 C32 C31 . . . -5(7) no
O23 N11 C39 C38 . . . -15.1(14) no
O24 N11 C39 C38 . . . 167.6(8) no
O24 N11 C39 C40 . . . -12.5(13) no
O23 N11 C39 C40 . . . 164.8(11) no
O2 C1 C2 C7 . . . 173.5(3) no
O1 C1 C2 C7 . . . -4.2(5) no
O2 C1 C2 C3 . . . -3.9(5) no
O1 C1 C2 C3 . . . 178.4(3) no
C1 C2 C7 C6 . . . -177.5(4) no
C3 C2 C7 C6 . . . -0.1(6) no
C7 C2 C3 C4 . . . -0.7(6) no
C1 C2 C3 C4 . . . 176.7(3) no
C2 C3 C4 C5 . . . 0.8(6) no
C2 C3 C4 N6 . . . -177.3(4) no
N6 C4 C5 C6 . . . 178.0(4) no
C3 C4 C5 C6 . . . -0.1(6) no
C4 C5 C6 C7 . . . -0.7(7) no
C5 C6 C7 C2 . . . 0.8(7) no
O6 C8 C9 C14 . . . 178.3(3) no
O6 C8 C9 C10 . . . -1.9(4) no
O5 C8 C9 C10 . . . 176.8(3) no
O5 C8 C9 C14 . . . -3.0(5) no
C14 C9 C10 C11 . . . -0.7(5) no
C8 C9 C14 C13 . . . -179.9(4) no
C8 C9 C10 C11 . . . 179.5(3) no
C10 C9 C14 C13 . . . 0.3(6) no
C9 C10 C11 N7 . . . -178.7(3) no
C9 C10 C11 C12 . . . 0.6(6) no
C10 C11 C12 C13 . . . -0.2(7) no
N7 C11 C12 C13 . . . 179.2(4) no
C11 C12 C13 C14 . . . -0.2(7) no
C12 C13 C14 C9 . . . 0.2(7) no
O9 C15 C16 C17 . . . 177.0(3) no
O10 C15 C16 C21 . . . 165.1(12) no
O9 C15 C16 C21 . . . -5.3(5) no
O10 C15 C16 C17 . . . -12.6(12) no
C21 C16 C17 C18 . . . -3.1(6) no
C17 C16 C21 C20 . . . 4.5(6) no
C15 C16 C17 C18 . . . 174.6(4) no
C15 C16 C21 C20 . . . -173.1(4) no
C16 C17 C18 N8 . . . -179.3(5) no
C16 C17 C18 C19 . . . -1.3(8) no
C17 C18 C19 C20 . . . 4.2(9) no
N8 C18 C19 C20 . . . -177.9(6) no
C18 C19 C20 C21 . . . -2.6(9) no
C19 C20 C21 C16 . . . -1.6(8) no
O14 C22 C23 C28 . . . -19.0(12) no
O14 C22 C23 C24 . . . 159.7(11) no
O13 C22 C23 C28 . . . 172.9(3) no
O13 C22 C23 C24 . . . -8.4(4) no
C28 C23 C24 C25 . . . 1.9(5) no
C22 C23 C24 C25 . . . -176.9(3) no
C24 C23 C28 C27 . . . -1.7(5) no
C22 C23 C28 C27 . . . 177.1(3) no
C23 C24 C25 C26 . . . -0.5(6) no
C23 C24 C25 N9 . . . 179.5(4) no
C24 C25 C26 C27 . . . -1.3(6) no
N9 C25 C26 C27 . . . 178.8(4) no
C25 C26 C27 C28 . . . 1.5(6) no
C26 C27 C28 C23 . . . 0.0(6) no
O18 C29 C30 C35 . . . 18.0(5) no
O17 C29 C30 C35 . . . -161.0(3) no
O17 C29 C30 C31 . . . 15.9(5) no
O18 C29 C30 C31 . . . -165.1(3) no
C31 C30 C35 C34 . . . -2.3(6) no
C35 C30 C31 C32 . . . 0.7(6) no
C29 C30 C31 C32 . . . -176.3(4) no
C29 C30 C35 C34 . . . 174.6(4) no
C30 C31 C32 C33 . . . 2.0(7) no
C30 C31 C32 N10 . . . -175(3) no
C31 C32 C33 C34 . . . -2.9(8) no
N10 C32 C33 C34 . . . 174(3) no
C32 C33 C34 C35 . . . 1.2(9) no
C33 C34 C35 C30 . . . 1.4(8) no
O22 C36 C37 C42 . . . 2.3(4) no
O21 C36 C37 C38 . . . 2.6(4) no
O21 C36 C37 C42 . . . -178.3(3) no
O22 C36 C37 C38 . . . -176.8(3) no
C36 C37 C38 C39 . . . 178.2(3) no
C42 C37 C38 C39 . . . -0.9(5) no
C38 C37 C42 C41 . . . 0.6(6) no
C36 C37 C42 C41 . . . -178.5(4) no
C37 C38 C39 N11 . . . -179.0(5) no
C37 C38 C39 C40 . . . 1.1(6) no
N11 C39 C40 C41 . . . 179.0(7) no
C38 C39 C40 C41 . . . -1.1(8) no
C39 C40 C41 C42 . . . 0.8(8) no
C40 C41 C42 C37 . . . -0.6(8) no
N1 C43 C44 C45 . . . -0.2(8) no
C43 C44 C45 N2 . . . 1.2(8) no
N2 C46 C47 C48 . . . 178.3(5) no
N3 C46 C47 C48 . . . -2.3(8) no
C46 C47 C48 C49 . . . 1.5(8) no
C47 C48 C49 C50 . . . 0.0(8) no
C48 C49 C50 N3 . . . -0.9(7) no
C48 C49 C50 N4 . . . 178.7(4) no
N4 C51 C52 C53 . . . -0.1(5) no
C51 C52 C53 N5 . . . 0.3(5) no
