#------------------------------------------------------------------------------
#$Date: 2021-02-26 11:54:15 +0200 (Fri, 26 Feb 2021) $
#$Revision: 262257 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/06/1560670.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_1560670
loop_
_publ_author_name
'Zhao, Hui'
'Sun, Xiao-Xia'
'Hu, Huai-Ming'
'An, Ran'
'Yang, Meng-Lin'
'Xue, Ganglin'
_publ_section_title
;
 Syntheses, structures and luminescent properties of lanthanide
 coordination polymers assembled from imidazophenanthroline derivative and
 oxalate ligands
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              67
_journal_page_last               73
_journal_paper_doi               10.1016/j.jssc.2016.09.033
_journal_volume                  245
_journal_year                    2017
_chemical_formula_moiety         'C40 H20 N8 O18 S4 Tb2, 4(O)'
_chemical_formula_sum            'C40 H20 N8 O22 S4 Tb2'
_chemical_formula_weight         1410.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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
_cell_angle_alpha                98.549(3)
_cell_angle_beta                 91.240(3)
_cell_angle_gamma                115.143(4)
_cell_formula_units_Z            1
_cell_length_a                   9.896(2)
_cell_length_b                   10.818(2)
_cell_length_c                   12.129(3)
_cell_measurement_reflns_used    1480
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.84
_cell_measurement_theta_min      2.28
_cell_volume                     1157.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.1031
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5645
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    3.307
_exptl_absorpt_correction_T_max  0.676
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             686
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.238
_refine_diff_density_min         -3.753
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3991
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0768
_refine_ls_shift/su_max          0.000
_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+13.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.1914
_reflns_number_gt                3497
_reflns_number_total             3991
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2017-245-67.cif
_cod_data_source_block           nw1967_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1560670
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.45441(7) 0.75415(6) 0.10324(5) 0.0145(2) Uani 1 1 d . . .
S1 S 0.2218(4) 1.2680(4) 0.7710(3) 0.0216(7) Uani 1 1 d . . .
S2 S -0.2502(4) 1.0642(3) 1.0069(3) 0.0205(7) Uani 1 1 d . . .
N1 N 0.4752(13) 0.9363(13) 0.2717(9) 0.025(3) Uani 1 1 d . . .
N2 N 0.2554(12) 0.6723(11) 0.2379(11) 0.028(3) Uani 1 1 d . . .
N3 N 0.1940(13) 1.0416(13) 0.5724(10) 0.029(3) Uani 1 1 d . . .
H3A H 0.2380 1.1300 0.5941 0.035 Uiso 1 1 calc R . .
N4 N 0.0337(13) 0.8189(12) 0.5653(10) 0.027(3) Uani 1 1 d . . .
O1 O 0.3458(10) 1.2281(10) 0.7813(8) 0.024(2) Uani 1 1 d . . .
O2 O 0.2034(11) 1.2936(11) 0.6593(9) 0.031(2) Uani 1 1 d . . .
O3 O 0.2333(11) 1.3781(10) 0.8602(9) 0.034(3) Uani 1 1 d . . .
O4 O -0.3275(10) 0.9387(10) 1.0523(8) 0.025(2) Uani 1 1 d . . .
O5 O -0.1475(10) 1.1799(10) 1.0878(8) 0.027(2) Uani 1 1 d . . .
O6 O -0.3569(11) 1.0990(11) 0.9492(9) 0.029(2) Uani 1 1 d . . .
O7 O 0.4033(10) 0.5224(9) 0.1142(8) 0.024(2) Uani 1 1 d U . .
O8 O 0.4507(11) 0.3415(10) 0.0457(8) 0.027(2) Uani 1 1 d . . .
C1 C 0.5822(17) 1.0669(16) 0.2866(14) 0.039(4) Uani 1 1 d . . .
H1 H 0.6649 1.0858 0.2456 0.046 Uiso 1 1 calc R . .
C2 C 0.576(2) 1.1749(17) 0.3595(13) 0.041(4) Uani 1 1 d . . .
H2 H 0.6494 1.2651 0.3626 0.049 Uiso 1 1 calc R . .
C3 C 0.4634(18) 1.1481(16) 0.4265(13) 0.035(4) Uani 1 1 d . . .
H3 H 0.4611 1.2190 0.4790 0.041 Uiso 1 1 calc R . .
C4 C 0.3483(15) 1.0112(14) 0.4159(10) 0.020(3) Uani 1 1 d . . .
C5 C 0.2264(17) 0.9649(15) 0.4852(12) 0.027(3) Uani 1 1 d . . .
C6 C 0.1300(16) 0.8307(15) 0.4816(12) 0.026(3) Uani 1 1 d . . .
C7 C 0.1330(15) 0.7239(15) 0.3963(11) 0.022(3) Uani 1 1 d . . .
C8 C 0.0314(15) 0.5881(15) 0.3834(12) 0.026(3) Uani 1 1 d . . .
H8 H -0.0420 0.5595 0.4327 0.031 Uiso 1 1 calc R . .
C9 C 0.0386(17) 0.4931(18) 0.2964(15) 0.039(4) Uani 1 1 d . . .
H9 H -0.0313 0.4006 0.2842 0.047 Uiso 1 1 calc R . .
C10 C 0.1548(17) 0.5415(17) 0.2274(13) 0.032(3) Uani 1 1 d . . .
H10 H 0.1619 0.4775 0.1703 0.038 Uiso 1 1 calc R . .
C11 C 0.2469(14) 0.7638(14) 0.3238(11) 0.021(3) Uani 1 1 d . . .
C12 C 0.3602(14) 0.9074(14) 0.3385(11) 0.020(3) Uani 1 1 d . . .
C13 C 0.0778(14) 0.9483(14) 0.6169(11) 0.021(3) Uani 1 1 d . . .
C14 C 0.0063(15) 0.9874(15) 0.7180(12) 0.024(3) Uani 1 1 d . . .
C15 C -0.1206(18) 0.8780(17) 0.7440(13) 0.034(4) Uani 1 1 d . . .
H15 H -0.1534 0.7901 0.7010 0.041 Uiso 1 1 calc R . .
C16 C -0.1990(15) 0.8984(15) 0.8332(12) 0.025(3) Uani 1 1 d . . .
H16 H -0.2846 0.8247 0.8485 0.030 Uiso 1 1 calc R . .
C17 C -0.1507(15) 1.0269(14) 0.8989(11) 0.021(3) Uani 1 1 d . . .
C18 C -0.0211(14) 1.1349(14) 0.8770(12) 0.023(3) Uani 1 1 d U . .
H18 H 0.0149 1.2210 0.9234 0.027 Uiso 1 1 calc R . .
C19 C 0.0568(14) 1.1159(15) 0.7851(11) 0.023(3) Uani 1 1 d . . .
C20 C 0.4575(16) 0.4620(15) 0.0459(12) 0.026(3) Uani 1 1 d . . .
O9 O 0.2345(12) 0.6157(11) -0.0281(9) 0.038(3) Uani 1 1 d . . .
O10 O 0.684(2) 0.498(2) 0.4767(18) 0.103(7) Uani 1 1 d . . .
O11 O 0.431(2) 0.441(2) 0.3321(16) 0.108(7) 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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O1 Tb1 O6 137.8(4) 2_676 2_576
O1 Tb1 O8 87.5(3) 2_676 2_665
O6 Tb1 O8 113.1(4) 2_576 2_665
O1 Tb1 O7 75.4(3) 2_676 .
O6 Tb1 O7 145.5(3) 2_576 .
O8 Tb1 O7 69.2(3) 2_665 .
O1 Tb1 O4 74.5(3) 2_676 1_654
O6 Tb1 O4 77.7(3) 2_576 1_654
O8 Tb1 O4 71.9(3) 2_665 1_654
O7 Tb1 O4 131.0(3) . 1_654
O1 Tb1 O9 150.4(4) 2_676 .
O6 Tb1 O9 71.9(4) 2_576 .
O8 Tb1 O9 76.6(4) 2_665 .
O7 Tb1 O9 75.6(4) . .
O4 Tb1 O9 122.1(4) 1_654 .
O1 Tb1 N2 97.3(4) 2_676 .
O6 Tb1 N2 90.4(4) 2_576 .
O8 Tb1 N2 138.8(3) 2_665 .
O7 Tb1 N2 72.6(3) . .
O4 Tb1 N2 148.8(3) 1_654 .
O9 Tb1 N2 79.7(4) . .
O1 Tb1 N1 76.2(4) 2_676 .
O6 Tb1 N1 69.9(4) 2_576 .
O8 Tb1 N1 154.1(4) 2_665 .
O7 Tb1 N1 124.1(4) . .
O4 Tb1 N1 84.2(4) 1_654 .
O9 Tb1 N1 126.3(4) . .
N2 Tb1 N1 64.5(4) . .
O2 S1 O3 114.7(7) . .
O2 S1 O1 110.5(6) . .
O3 S1 O1 112.6(6) . .
O2 S1 C19 105.9(6) . .
O3 S1 C19 107.5(6) . .
O1 S1 C19 104.7(6) . .
O5 S2 O4 113.9(6) . .
O5 S2 O6 111.7(6) . .
O4 S2 O6 110.8(6) . .
O5 S2 C17 109.1(6) . .
O4 S2 C17 107.3(6) . .
O6 S2 C17 103.5(6) . .
C1 N1 C12 117.8(12) . .
C1 N1 Tb1 122.3(9) . .
C12 N1 Tb1 119.0(9) . .
C10 N2 C11 117.2(12) . .
C10 N2 Tb1 122.5(10) . .
C11 N2 Tb1 120.3(8) . .
C13 N3 C5 105.3(12) . .
C13 N3 H3A 127.4 . .
C5 N3 H3A 127.4 . .
C13 N4 C6 103.7(12) . .
S1 O1 Tb1 145.8(6) . 2_676
S2 O4 Tb1 154.2(6) . 1_456
S2 O6 Tb1 155.7(7) . 2_576
C20 O7 Tb1 117.9(9) . .
C20 O8 Tb1 118.4(9) . 2_665
N1 C1 C2 123.6(14) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C3 C2 C1 119.2(15) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C4 119.6(14) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C12 C4 C3 117.9(12) . .
C12 C4 C5 115.8(12) . .
C3 C4 C5 126.1(13) . .
C6 C5 N3 107.3(13) . .
C6 C5 C4 124.1(13) . .
N3 C5 C4 128.3(13) . .
C5 C6 N4 110.2(13) . .
C5 C6 C7 120.6(13) . .
N4 C6 C7 129.1(14) . .
C8 C7 C11 119.3(13) . .
C8 C7 C6 123.3(13) . .
C11 C7 C6 117.4(13) . .
C7 C8 C9 119.5(13) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C8 C9 C10 117.5(15) . .
C8 C9 H9 121.2 . .
C10 C9 H9 121.2 . .
N2 C10 C9 124.5(15) . .
N2 C10 H10 117.8 . .
C9 C10 H10 117.8 . .
N2 C11 C7 121.9(13) . .
N2 C11 C12 117.7(12) . .
C7 C11 C12 120.4(12) . .
N1 C12 C4 121.7(12) . .
N1 C12 C11 117.2(12) . .
C4 C12 C11 121.0(12) . .
N4 C13 N3 113.5(12) . .
N4 C13 C14 123.0(12) . .
N3 C13 C14 123.5(12) . .
C19 C14 C15 118.8(12) . .
C19 C14 C13 126.7(13) . .
C15 C14 C13 114.5(12) . .
C16 C15 C14 121.0(14) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C17 C16 C15 120.3(14) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C16 C17 C18 119.3(12) . .
C16 C17 S2 123.1(11) . .
C18 C17 S2 117.6(10) . .
C17 C18 C19 120.7(12) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C14 C19 C18 119.8(13) . .
C14 C19 S1 126.2(11) . .
C18 C19 S1 113.9(10) . .
O7 C20 O8 125.9(13) . .
O7 C20 C20 118.2(15) . 2_665
O8 C20 C20 115.8(15) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.321(9) 2_676
Tb1 O6 2.331(9) 2_576
Tb1 O8 2.357(9) 2_665
Tb1 O7 2.363(9) .
Tb1 O4 2.406(9) 1_654
Tb1 O9 2.426(10) .
Tb1 N2 2.533(12) .
Tb1 N1 2.557(11) .
S1 O2 1.445(11) .
S1 O3 1.449(10) .
S1 O1 1.472(9) .
S1 C19 1.793(14) .
S2 O5 1.440(10) .
S2 O4 1.446(10) .
S2 O6 1.460(10) .
S2 C17 1.757(12) .
N1 C1 1.340(19) .
N1 C12 1.365(17) .
N2 C10 1.324(19) .
N2 C11 1.357(17) .
N3 C13 1.355(18) .
N3 C5 1.375(18) .
N3 H3A 0.8600 .
N4 C13 1.323(18) .
N4 C6 1.390(18) .
O1 Tb1 2.321(9) 2_676
O4 Tb1 2.406(9) 1_456
O6 Tb1 2.331(9) 2_576
O7 C20 1.248(16) .
O8 C20 1.277(17) .
O8 Tb1 2.357(9) 2_665
C1 C2 1.38(2) .
C1 H1 0.9300 .
C2 C3 1.35(2) .
C2 H2 0.9300 .
C3 C4 1.42(2) .
C3 H3 0.9300 .
C4 C12 1.400(19) .
C4 C5 1.438(19) .
C5 C6 1.35(2) .
C6 C7 1.44(2) .
C7 C8 1.37(2) .
C7 C11 1.405(18) .
C8 C9 1.38(2) .
C8 H8 0.9300 .
C9 C10 1.40(2) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.460(18) .
C13 C14 1.523(18) .
C14 C19 1.38(2) .
C14 C15 1.39(2) .
C15 C16 1.39(2) .
C15 H15 0.9300 .
C16 C17 1.373(19) .
C16 H16 0.9300 .
C17 C18 1.383(19) .
C18 C19 1.409(18) .
C18 H18 0.9300 .
C20 C20 1.53(3) 2_665
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Tb1 N1 C1 76.1(12) 2_676 . . .
O6 Tb1 N1 C1 -78.2(12) 2_576 . . .
O8 Tb1 N1 C1 23.4(17) 2_665 . . .
O7 Tb1 N1 C1 137.5(12) . . . .
O4 Tb1 N1 C1 0.8(12) 1_654 . . .
O9 Tb1 N1 C1 -125.3(12) . . . .
N2 Tb1 N1 C1 -178.7(13) . . . .
O1 Tb1 N1 C12 -115.1(10) 2_676 . . .
O6 Tb1 N1 C12 90.5(10) 2_576 . . .
O8 Tb1 N1 C12 -167.9(9) 2_665 . . .
O7 Tb1 N1 C12 -53.7(11) . . . .
O4 Tb1 N1 C12 169.5(10) 1_654 . . .
O9 Tb1 N1 C12 43.4(11) . . . .
N2 Tb1 N1 C12 -10.0(9) . . . .
O1 Tb1 N2 C10 -103.6(12) 2_676 . . .
O6 Tb1 N2 C10 118.0(12) 2_576 . . .
O8 Tb1 N2 C10 -9.0(15) 2_665 . . .
O7 Tb1 N2 C10 -31.4(11) . . . .
O4 Tb1 N2 C10 -175.5(10) 1_654 . . .
O9 Tb1 N2 C10 46.6(12) . . . .
N1 Tb1 N2 C10 -174.6(13) . . . .
O1 Tb1 N2 C11 77.5(11) 2_676 . . .
O6 Tb1 N2 C11 -60.8(11) 2_576 . . .
O8 Tb1 N2 C11 172.1(9) 2_665 . . .
O7 Tb1 N2 C11 149.7(11) . . . .
O4 Tb1 N2 C11 5.6(15) 1_654 . . .
O9 Tb1 N2 C11 -132.3(11) . . . .
N1 Tb1 N2 C11 6.6(10) . . . .
O2 S1 O1 Tb1 142.7(10) . . . 2_676
O3 S1 O1 Tb1 12.9(13) . . . 2_676
C19 S1 O1 Tb1 -103.7(11) . . . 2_676
O5 S2 O4 Tb1 116.1(14) . . . 1_456
O6 S2 O4 Tb1 -10.8(16) . . . 1_456
C17 S2 O4 Tb1 -123.1(14) . . . 1_456
O5 S2 O6 Tb1 11.0(17) . . . 2_576
O4 S2 O6 Tb1 139.0(14) . . . 2_576
C17 S2 O6 Tb1 -106.2(15) . . . 2_576
O1 Tb1 O7 C20 -87.3(10) 2_676 . . .
O6 Tb1 O7 C20 106.4(11) 2_576 . . .
O8 Tb1 O7 C20 5.6(10) 2_665 . . .
O4 Tb1 O7 C20 -33.7(12) 1_654 . . .
O9 Tb1 O7 C20 86.6(10) . . . .
N2 Tb1 O7 C20 170.0(11) . . . .
N1 Tb1 O7 C20 -149.1(10) . . . .
C12 N1 C1 C2 -5(2) . . . .
Tb1 N1 C1 C2 163.8(14) . . . .
N1 C1 C2 C3 5(3) . . . .
C1 C2 C3 C4 -4(3) . . . .
C2 C3 C4 C12 2(2) . . . .
C2 C3 C4 C5 175.9(16) . . . .
C13 N3 C5 C6 -0.2(16) . . . .
C13 N3 C5 C4 -174.2(14) . . . .
C12 C4 C5 C6 2(2) . . . .
C3 C4 C5 C6 -171.4(15) . . . .
C12 C4 C5 N3 175.3(14) . . . .
C3 C4 C5 N3 2(3) . . . .
N3 C5 C6 N4 0.4(17) . . . .
C4 C5 C6 N4 174.7(13) . . . .
N3 C5 C6 C7 178.3(12) . . . .
C4 C5 C6 C7 -7(2) . . . .
C13 N4 C6 C5 -0.4(16) . . . .
C13 N4 C6 C7 -178.1(13) . . . .
C5 C6 C7 C8 -175.1(14) . . . .
N4 C6 C7 C8 2(2) . . . .
C5 C6 C7 C11 4.9(19) . . . .
N4 C6 C7 C11 -177.7(13) . . . .
C11 C7 C8 C9 -3(2) . . . .
C6 C7 C8 C9 177.3(14) . . . .
C7 C8 C9 C10 2(2) . . . .
C11 N2 C10 C9 2(2) . . . .
Tb1 N2 C10 C9 -176.7(12) . . . .
C8 C9 C10 N2 -2(2) . . . .
C10 N2 C11 C7 -3(2) . . . .
Tb1 N2 C11 C7 176.3(10) . . . .
C10 N2 C11 C12 178.0(13) . . . .
Tb1 N2 C11 C12 -3.1(16) . . . .
C8 C7 C11 N2 3(2) . . . .
C6 C7 C11 N2 -177.0(12) . . . .
C8 C7 C11 C12 -177.7(12) . . . .
C6 C7 C11 C12 2.4(19) . . . .
C1 N1 C12 C4 4(2) . . . .
Tb1 N1 C12 C4 -165.6(10) . . . .
C1 N1 C12 C11 -178.1(13) . . . .
Tb1 N1 C12 C11 12.7(15) . . . .
C3 C4 C12 N1 -2(2) . . . .
C5 C4 C12 N1 -176.5(12) . . . .
C3 C4 C12 C11 179.3(13) . . . .
C5 C4 C12 C11 5.2(19) . . . .
N2 C11 C12 N1 -6.4(18) . . . .
C7 C11 C12 N1 174.1(12) . . . .
N2 C11 C12 C4 171.9(12) . . . .
C7 C11 C12 C4 -8(2) . . . .
C6 N4 C13 N3 0.3(16) . . . .
C6 N4 C13 C14 -178.5(12) . . . .
C5 N3 C13 N4 -0.1(16) . . . .
C5 N3 C13 C14 178.7(12) . . . .
N4 C13 C14 C19 171.2(14) . . . .
N3 C13 C14 C19 -8(2) . . . .
N4 C13 C14 C15 -7(2) . . . .
N3 C13 C14 C15 174.2(13) . . . .
C19 C14 C15 C16 2(2) . . . .
C13 C14 C15 C16 -179.1(13) . . . .
C14 C15 C16 C17 -1(2) . . . .
C15 C16 C17 C18 -2(2) . . . .
C15 C16 C17 S2 175.5(11) . . . .
O5 S2 C17 C16 155.2(12) . . . .
O4 S2 C17 C16 31.4(14) . . . .
O6 S2 C17 C16 -85.8(13) . . . .
O5 S2 C17 C18 -27.7(13) . . . .
O4 S2 C17 C18 -151.5(11) . . . .
O6 S2 C17 C18 91.3(12) . . . .
C16 C17 C18 C19 3(2) . . . .
S2 C17 C18 C19 -174.1(10) . . . .
C15 C14 C19 C18 -1(2) . . . .
C13 C14 C19 C18 -179.1(13) . . . .
C15 C14 C19 S1 176.9(11) . . . .
C13 C14 C19 S1 -1(2) . . . .
C17 C18 C19 C14 -2(2) . . . .
C17 C18 C19 S1 -180.0(11) . . . .
O2 S1 C19 C14 58.1(14) . . . .
O3 S1 C19 C14 -178.9(13) . . . .
O1 S1 C19 C14 -58.8(14) . . . .
O2 S1 C19 C18 -124.1(11) . . . .
O3 S1 C19 C18 -1.0(12) . . . .
O1 S1 C19 C18 119.1(11) . . . .
Tb1 O7 C20 O8 174.2(11) . . . .
Tb1 O7 C20 C20 -5(2) . . . 2_665
Tb1 O8 C20 O7 174.8(11) 2_665 . . .
Tb1 O8 C20 C20 -6(2) 2_665 . . 2_665
