#------------------------------------------------------------------------------
#$Date: 2021-02-26 11:54:15 +0200 (Fri, 26 Feb 2021) $
#$Revision: 262257 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/06/1560675.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_1560675
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_sum            'C40 H20 N8 O22 S4 Y2'
_chemical_formula_weight         1270.70
_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_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                98.632(10)
_cell_angle_beta                 91.294(11)
_cell_angle_gamma                115.071(7)
_cell_formula_units_Z            1
_cell_length_a                   9.842(4)
_cell_length_b                   10.726(4)
_cell_length_c                   12.166(8)
_cell_measurement_reflns_used    407
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.88
_cell_measurement_theta_min      2.30
_cell_volume                     1144.8(10)
_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 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0727
_diffrn_reflns_av_sigmaI/netI    0.1763
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5704
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    2.802
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             634
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.880
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3997
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1567
_refine_ls_R_factor_gt           0.1156
_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)+(0.1500P)²+10.0074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2807
_refine_ls_wR_factor_ref         0.3144
_reflns_number_gt                2834
_reflns_number_total             3997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2017-245-67.cif
_cod_data_source_block           nw2045
_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               1560675
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
Y1 Y 0.95371(15) 0.75391(14) 0.60276(10) 0.0159(4) Uani 1 1 d . . .
S1 S 0.7234(4) 1.2678(4) 1.2720(3) 0.0222(8) Uani 1 1 d . . .
S2 S 0.2490(4) 1.0631(4) 1.5062(3) 0.0204(8) Uani 1 1 d . . .
N1 N 0.9746(13) 0.9337(13) 0.7698(9) 0.023(3) Uani 1 1 d . . .
N2 N 0.7517(14) 0.6700(13) 0.7344(9) 0.026(3) Uani 1 1 d . . .
N3 N 0.5305(14) 0.8153(13) 1.0646(9) 0.026(3) Uani 1 1 d U . .
N4 N 0.6919(15) 1.0395(13) 1.0711(10) 0.029(3) Uani 1 1 d . . .
H4 H 0.7357 1.1288 1.0917 0.035 Uiso 1 1 calc R . .
O1 O 0.8467(12) 1.2276(11) 1.2815(8) 0.028(2) Uani 1 1 d . . .
O2 O 0.7070(13) 1.2959(11) 1.1609(8) 0.033(3) Uani 1 1 d . . .
O3 O 0.7316(12) 1.3762(10) 1.3605(9) 0.035(3) Uani 1 1 d . . .
O4 O 0.1409(11) 1.1018(11) 1.4501(8) 0.028(2) Uani 1 1 d . . .
O5 O 0.3524(12) 1.1774(11) 1.5864(8) 0.029(2) Uani 1 1 d . . .
O6 O 0.1694(12) 0.9361(10) 1.5520(8) 0.027(2) Uani 1 1 d . . .
O7 O 0.9067(11) 0.5233(9) 0.6151(8) 0.023(2) Uani 1 1 d . . .
O8 O 0.9524(13) 0.3401(10) 0.5454(8) 0.029(3) Uani 1 1 d . . .
C1 C 1.081(2) 1.0684(18) 0.7837(13) 0.041(4) Uani 1 1 d . . .
H1 H 1.1600 1.0899 0.7386 0.049 Uiso 1 1 calc R . .
C2 C 1.0777(18) 1.1750(16) 0.8612(12) 0.033(4) Uani 1 1 d . . .
H2 H 1.1550 1.2648 0.8684 0.040 Uiso 1 1 calc R . .
C3 C 0.9622(18) 1.1498(16) 0.9273(12) 0.030(4) Uani 1 1 d . . .
H3 H 0.9576 1.2216 0.9781 0.035 Uiso 1 1 calc R . .
C4 C 0.8494(17) 1.0108(15) 0.9160(11) 0.023(3) Uani 1 1 d U . .
C5 C 0.7266(17) 0.9624(17) 0.9837(12) 0.031(4) Uani 1 1 d U . .
C6 C 0.6281(16) 0.8278(17) 0.9820(12) 0.026(3) Uani 1 1 d . . .
C7 C 0.6309(17) 0.7208(16) 0.8940(11) 0.024(3) Uani 1 1 d . . .
C8 C 0.5255(16) 0.5806(16) 0.8780(13) 0.031(4) Uani 1 1 d . . .
H8 H 0.4496 0.5502 0.9253 0.038 Uiso 1 1 calc R . .
C9 C 0.5366(19) 0.4883(16) 0.7902(12) 0.030(4) Uani 1 1 d U . .
H9 H 0.4696 0.3941 0.7788 0.036 Uiso 1 1 calc R . .
C10 C 0.6480(18) 0.5374(16) 0.7199(13) 0.033(4) Uani 1 1 d . . .
H10 H 0.6511 0.4749 0.6593 0.039 Uiso 1 1 calc R . .
C11 C 0.7465(17) 0.7627(14) 0.8224(11) 0.022(3) Uani 1 1 d . . .
C12 C 0.8605(17) 0.9049(15) 0.8353(10) 0.022(3) Uani 1 1 d . . .
C13 C 0.5747(17) 0.9469(15) 1.1184(11) 0.023(3) Uani 1 1 d . . .
C14 C 0.5044(17) 0.9823(15) 1.2168(12) 0.024(3) Uani 1 1 d . . .
C15 C 0.3740(17) 0.8744(16) 1.2417(11) 0.026(3) Uani 1 1 d . . .
H15 H 0.3369 0.7866 1.1965 0.031 Uiso 1 1 calc R . .
C16 C 0.2986(17) 0.8950(16) 1.3320(12) 0.027(3) Uani 1 1 d . . .
H16 H 0.2133 0.8213 1.3488 0.033 Uiso 1 1 calc R . .
C17 C 0.3513(17) 1.0259(16) 1.3968(11) 0.025(3) Uani 1 1 d U . .
C18 C 0.4818(17) 1.1367(15) 1.3750(12) 0.025(3) Uani 1 1 d . . .
H18 H 0.5160 1.2240 1.4205 0.030 Uiso 1 1 calc R . .
C19 C 0.5613(16) 1.1180(15) 1.2859(11) 0.020(3) Uani 1 1 d . . .
C20 C 0.9605(15) 0.4619(13) 0.5445(10) 0.017(3) Uani 1 1 d U . .
O9 O 0.7362(13) 0.6173(12) 0.4736(10) 0.041(3) Uani 1 1 d . . .
O10 O 0.807(2) 0.491(2) 0.0147(17) 0.100(6) Uani 1 1 d . . .
O11 O 0.057(3) 0.556(2) 0.1684(17) 0.117(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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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
O4 Y1 O1 137.7(4) 2_677 2_777
O4 Y1 O8 111.8(3) 2_677 2_766
O1 Y1 O8 88.3(4) 2_777 2_766
O4 Y1 O7 146.4(4) 2_677 .
O1 Y1 O7 74.6(4) 2_777 .
O8 Y1 O7 69.7(3) 2_766 .
O4 Y1 O6 77.4(4) 2_677 1_654
O1 Y1 O6 74.7(4) 2_777 1_654
O8 Y1 O6 71.2(4) 2_766 1_654
O7 Y1 O6 130.2(3) . 1_654
O4 Y1 O9 71.5(4) 2_677 .
O1 Y1 O9 150.8(4) 2_777 .
O8 Y1 O9 76.5(4) 2_766 .
O7 Y1 O9 76.7(4) . .
O6 Y1 O9 121.8(4) 1_654 .
O4 Y1 N1 70.9(4) 2_677 .
O1 Y1 N1 75.5(4) 2_777 .
O8 Y1 N1 154.1(4) 2_766 .
O7 Y1 N1 123.2(3) . .
O6 Y1 N1 84.9(4) 1_654 .
O9 Y1 N1 126.4(4) . .
O4 Y1 N2 90.8(4) 2_677 .
O1 Y1 N2 97.7(4) 2_777 .
O8 Y1 N2 138.7(4) 2_766 .
O7 Y1 N2 72.7(4) . .
O6 Y1 N2 149.7(4) 1_654 .
O9 Y1 N2 79.0(4) . .
N1 Y1 N2 64.9(4) . .
O3 S1 O2 114.4(7) . .
O3 S1 O1 113.7(7) . .
O2 S1 O1 110.0(6) . .
O3 S1 C19 106.3(6) . .
O2 S1 C19 107.0(7) . .
O1 S1 C19 104.7(7) . .
O5 S2 O6 113.5(6) . .
O5 S2 O4 111.1(6) . .
O6 S2 O4 110.7(6) . .
O5 S2 C17 108.4(7) . .
O6 S2 C17 108.2(7) . .
O4 S2 C17 104.5(6) . .
C12 N1 C1 117.4(13) . .
C12 N1 Y1 119.1(9) . .
C1 N1 Y1 122.2(9) . .
C10 N2 C11 118.6(12) . .
C10 N2 Y1 122.0(9) . .
C11 N2 Y1 119.4(9) . .
C13 N3 C6 104.1(13) . .
C13 N4 C5 107.3(12) . .
C13 N4 H4 126.4 . .
C5 N4 H4 126.4 . .
S1 O1 Y1 145.1(6) . 2_777
S2 O4 Y1 157.0(7) . 2_677
S2 O6 Y1 154.7(6) . 1_456
C20 O7 Y1 117.4(8) . .
C20 O8 Y1 116.9(8) . 2_766
N1 C1 C2 123.4(14) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C3 C2 C1 120.6(14) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C2 C3 C4 117.8(14) . .
C2 C3 H3 121.1 . .
C4 C3 H3 121.1 . .
C3 C4 C12 118.8(13) . .
C3 C4 C5 125.8(14) . .
C12 C4 C5 115.3(13) . .
C6 C5 N4 105.4(12) . .
C6 C5 C4 126.3(14) . .
N4 C5 C4 128.0(14) . .
C5 C6 N3 111.9(14) . .
C5 C6 C7 118.4(13) . .
N3 C6 C7 129.5(14) . .
C8 C7 C11 119.2(13) . .
C8 C7 C6 123.3(13) . .
C11 C7 C6 117.5(13) . .
C9 C8 C7 118.5(14) . .
C9 C8 H8 120.7 . .
C7 C8 H8 120.7 . .
C10 C9 C8 119.3(14) . .
C10 C9 H9 120.3 . .
C8 C9 H9 120.3 . .
N2 C10 C9 123.4(13) . .
N2 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
N2 C11 C7 120.8(13) . .
N2 C11 C12 117.0(12) . .
C7 C11 C12 122.2(12) . .
N1 C12 C4 122.0(13) . .
N1 C12 C11 118.4(12) . .
C4 C12 C11 119.7(12) . .
N3 C13 N4 111.3(12) . .
N3 C13 C14 122.6(13) . .
N4 C13 C14 126.1(13) . .
C15 C14 C19 119.4(13) . .
C15 C14 C13 116.2(13) . .
C19 C14 C13 124.4(13) . .
C16 C15 C14 121.4(14) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C17 C16 C15 119.2(14) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
C16 C17 C18 121.2(13) . .
C16 C17 S2 121.2(12) . .
C18 C17 S2 117.5(11) . .
C19 C18 C17 120.7(14) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C14 118.1(13) . .
C18 C19 S1 114.4(11) . .
C14 C19 S1 127.5(11) . .
O7 C20 O8 124.4(12) . .
O7 C20 C20 117.4(15) . 2_766
O8 C20 C20 118.2(15) . 2_766
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O4 2.273(10) 2_677
Y1 O1 2.311(11) 2_777
Y1 O8 2.333(10) 2_766
Y1 O7 2.345(9) .
Y1 O6 2.369(10) 1_654
Y1 O9 2.387(12) .
Y1 N1 2.522(11) .
Y1 N2 2.527(12) .
S1 O3 1.434(10) .
S1 O2 1.448(10) .
S1 O1 1.458(11) .
S1 C19 1.755(15) .
S2 O5 1.425(11) .
S2 O6 1.457(10) .
S2 O4 1.482(10) .
S2 C17 1.784(14) .
N1 C12 1.346(18) .
N1 C1 1.36(2) .
N2 C10 1.335(19) .
N2 C11 1.364(17) .
N3 C13 1.342(18) .
N3 C6 1.387(17) .
N4 C13 1.370(19) .
N4 C5 1.386(19) .
N4 H4 0.8600 .
O1 Y1 2.311(11) 2_777
O4 Y1 2.273(10) 2_677
O6 Y1 2.369(10) 1_456
O7 C20 1.263(16) .
O8 C20 1.277(16) .
O8 Y1 2.333(10) 2_766
C1 C2 1.38(2) .
C1 H1 0.9300 .
C2 C3 1.36(2) .
C2 H2 0.9300 .
C3 C4 1.42(2) .
C3 H3 0.9300 .
C4 C12 1.428(19) .
C4 C5 1.432(19) .
C5 C6 1.35(2) .
C6 C7 1.46(2) .
C7 C8 1.40(2) .
C7 C11 1.409(19) .
C8 C9 1.38(2) .
C8 H8 0.9300 .
C9 C10 1.38(2) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.44(2) .
C13 C14 1.477(19) .
C14 C15 1.39(2) .
C14 C19 1.44(2) .
C15 C16 1.382(19) .
C15 H15 0.9300 .
C16 C17 1.38(2) .
C16 H16 0.9300 .
C17 C18 1.40(2) .
C18 C19 1.390(19) .
C18 H18 0.9300 .
C20 C20 1.49(2) 2_766
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
O4 Y1 N1 C12 90.7(11) 2_677 . . .
O1 Y1 N1 C12 -115.4(11) 2_777 . . .
O8 Y1 N1 C12 -168.5(9) 2_766 . . .
O7 Y1 N1 C12 -55.2(12) . . . .
O6 Y1 N1 C12 169.1(11) 1_654 . . .
O9 Y1 N1 C12 42.9(12) . . . .
N2 Y1 N1 C12 -9.6(10) . . . .
O4 Y1 N1 C1 -75.5(13) 2_677 . . .
O1 Y1 N1 C1 78.4(13) 2_777 . . .
O8 Y1 N1 C1 25.3(17) 2_766 . . .
O7 Y1 N1 C1 138.7(12) . . . .
O6 Y1 N1 C1 2.9(12) 1_654 . . .
O9 Y1 N1 C1 -123.3(12) . . . .
N2 Y1 N1 C1 -175.7(14) . . . .
O4 Y1 N2 C10 115.9(13) 2_677 . . .
O1 Y1 N2 C10 -105.7(13) 2_777 . . .
O8 Y1 N2 C10 -9.4(15) 2_766 . . .
O7 Y1 N2 C10 -34.5(12) . . . .
O6 Y1 N2 C10 -178.3(11) 1_654 . . .
O9 Y1 N2 C10 44.9(12) . . . .
N1 Y1 N2 C10 -175.7(14) . . . .
O4 Y1 N2 C11 -63.4(11) 2_677 . . .
O1 Y1 N2 C11 75.1(11) 2_777 . . .
O8 Y1 N2 C11 171.4(9) 2_766 . . .
O7 Y1 N2 C11 146.3(11) . . . .
O6 Y1 N2 C11 2.5(15) 1_654 . . .
O9 Y1 N2 C11 -134.3(11) . . . .
N1 Y1 N2 C11 5.1(10) . . . .
O3 S1 O1 Y1 12.2(14) . . . 2_777
O2 S1 O1 Y1 142.0(10) . . . 2_777
C19 S1 O1 Y1 -103.4(11) . . . 2_777
O5 S2 O4 Y1 14.4(17) . . . 2_677
O6 S2 O4 Y1 141.5(15) . . . 2_677
C17 S2 O4 Y1 -102.3(16) . . . 2_677
O5 S2 O6 Y1 116.4(15) . . . 1_456
O4 S2 O6 Y1 -9.3(17) . . . 1_456
C17 S2 O6 Y1 -123.2(15) . . . 1_456
O4 Y1 O7 C20 103.8(10) 2_677 . . .
O1 Y1 O7 C20 -89.2(10) 2_777 . . .
O8 Y1 O7 C20 4.8(9) 2_766 . . .
O6 Y1 O7 C20 -35.5(11) 1_654 . . .
O9 Y1 O7 C20 85.0(10) . . . .
N1 Y1 O7 C20 -149.9(9) . . . .
N2 Y1 O7 C20 167.4(10) . . . .
C12 N1 C1 C2 0(2) . . . .
Y1 N1 C1 C2 166.9(13) . . . .
N1 C1 C2 C3 -2(3) . . . .
C1 C2 C3 C4 2(2) . . . .
C2 C3 C4 C12 -1(2) . . . .
C2 C3 C4 C5 174.8(16) . . . .
C13 N4 C5 C6 0.6(17) . . . .
C13 N4 C5 C4 -173.8(16) . . . .
C3 C4 C5 C6 -172.2(16) . . . .
C12 C4 C5 C6 4(2) . . . .
C3 C4 C5 N4 1(3) . . . .
C12 C4 C5 N4 177.0(15) . . . .
N4 C5 C6 N3 0.3(18) . . . .
C4 C5 C6 N3 174.8(15) . . . .
N4 C5 C6 C7 176.6(12) . . . .
C4 C5 C6 C7 -9(2) . . . .
C13 N3 C6 C5 -1.1(17) . . . .
C13 N3 C6 C7 -176.9(14) . . . .
C5 C6 C7 C8 -173.9(14) . . . .
N3 C6 C7 C8 2(2) . . . .
C5 C6 C7 C11 6(2) . . . .
N3 C6 C7 C11 -178.4(14) . . . .
C11 C7 C8 C9 -1(2) . . . .
C6 C7 C8 C9 178.5(13) . . . .
C7 C8 C9 C10 -2(2) . . . .
C11 N2 C10 C9 -1(2) . . . .
Y1 N2 C10 C9 179.9(13) . . . .
C8 C9 C10 N2 3(3) . . . .
C10 N2 C11 C7 -2(2) . . . .
Y1 N2 C11 C7 176.8(10) . . . .
C10 N2 C11 C12 179.9(14) . . . .
Y1 N2 C11 C12 -0.8(17) . . . .
C8 C7 C11 N2 4(2) . . . .
C6 C7 C11 N2 -176.4(13) . . . .
C8 C7 C11 C12 -178.9(14) . . . .
C6 C7 C11 C12 1(2) . . . .
C1 N1 C12 C4 0(2) . . . .
Y1 N1 C12 C4 -166.4(10) . . . .
C1 N1 C12 C11 -179.8(14) . . . .
Y1 N1 C12 C11 13.3(17) . . . .
C3 C4 C12 N1 0(2) . . . .
C5 C4 C12 N1 -176.4(14) . . . .
C3 C4 C12 C11 -179.9(13) . . . .
C5 C4 C12 C11 4(2) . . . .
N2 C11 C12 N1 -8(2) . . . .
C7 C11 C12 N1 174.1(13) . . . .
N2 C11 C12 C4 171.4(13) . . . .
C7 C11 C12 C4 -6(2) . . . .
C6 N3 C13 N4 1.5(16) . . . .
C6 N3 C13 C14 -177.6(13) . . . .
C5 N4 C13 N3 -1.4(17) . . . .
C5 N4 C13 C14 177.7(14) . . . .
N3 C13 C14 C15 -9(2) . . . .
N4 C13 C14 C15 171.8(14) . . . .
N3 C13 C14 C19 170.9(14) . . . .
N4 C13 C14 C19 -8(2) . . . .
C19 C14 C15 C16 0(2) . . . .
C13 C14 C15 C16 179.8(14) . . . .
C14 C15 C16 C17 2(2) . . . .
C15 C16 C17 C18 -2(2) . . . .
C15 C16 C17 S2 173.9(12) . . . .
O5 S2 C17 C16 155.1(12) . . . .
O6 S2 C17 C16 31.6(14) . . . .
O4 S2 C17 C16 -86.4(13) . . . .
O5 S2 C17 C18 -28.8(14) . . . .
O6 S2 C17 C18 -152.3(11) . . . .
O4 S2 C17 C18 89.8(13) . . . .
C16 C17 C18 C19 1(2) . . . .
S2 C17 C18 C19 -175.3(11) . . . .
C17 C18 C19 C14 1(2) . . . .
C17 C18 C19 S1 -179.3(12) . . . .
C15 C14 C19 C18 -1(2) . . . .
C13 C14 C19 C18 179.0(13) . . . .
C15 C14 C19 S1 179.1(12) . . . .
C13 C14 C19 S1 -1(2) . . . .
O3 S1 C19 C18 -0.2(13) . . . .
O2 S1 C19 C18 -122.8(11) . . . .
O1 S1 C19 C18 120.5(11) . . . .
O3 S1 C19 C14 179.8(13) . . . .
O2 S1 C19 C14 57.2(14) . . . .
O1 S1 C19 C14 -59.5(14) . . . .
Y1 O7 C20 O8 175.3(10) . . . .
Y1 O7 C20 C20 -4.1(19) . . . 2_766
Y1 O8 C20 O7 175.7(10) 2_766 . . .
Y1 O8 C20 C20 -5(2) 2_766 . . 2_766
