#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/23/7222325.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_7222325
loop_
_publ_author_name
'An, Ran'
'Wang, Xiaofang'
'Hu, Huai-Ming'
'Zhao, Zhui'
'Bai, Chao'
'Xue, Ganglin'
_publ_section_title
;
 Controllable synthesis of four series of lanthanide coordination
 polymers: synthesis, structures, luminescent and magnetic properties
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              8289
_journal_paper_doi               10.1039/C5CE01675D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C24 H19 N4 O8 S Y'
_chemical_formula_weight         612.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_update_record
;
2015-09-22 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                94.285(4)
_cell_angle_beta                 90.906(4)
_cell_angle_gamma                98.511(4)
_cell_formula_units_Z            2
_cell_length_a                   8.8933(19)
_cell_length_b                   9.0472(19)
_cell_length_c                   14.467(3)
_cell_measurement_reflns_used    1097
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.42
_cell_measurement_theta_min      2.32
_cell_volume                     1147.5(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 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0838
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5756
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    2.694
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         4011
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0500
_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)+(0.0502P)²+0.0310P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                3018
_reflns_number_total             4011
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01675d2.cif
_cod_data_source_block           nw1829_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7222315--7222326.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7222325
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
Y1 Y -0.05492(6) 0.43652(6) 0.84662(3) 0.02042(17) Uani 1 1 d .
S1 S 0.46085(15) 0.58240(15) 0.23411(9) 0.0243(3) Uani 1 1 d .
N1 N -0.0462(5) 0.6367(5) 0.7315(3) 0.0240(10) Uani 1 1 d .
N2 N 0.0707(5) 0.3830(5) 0.6954(3) 0.0208(10) Uani 1 1 d .
N3 N 0.2236(5) 0.8362(5) 0.4633(3) 0.0254(10) Uani 1 1 d .
N4 N 0.3242(5) 0.6269(5) 0.4340(3) 0.0277(11) Uani 1 1 d .
H4 H 0.3768 0.5640 0.4077 0.033 Uiso 1 1 calc R
O1 O 0.2971(4) 0.5524(4) 0.2130(2) 0.0301(9) Uani 1 1 d .
O2 O 0.4995(4) 0.5003(4) 0.3111(2) 0.0308(9) Uani 1 1 d .
O3 O 0.5506(4) 0.5615(4) 0.1535(3) 0.0374(10) Uani 1 1 d .
O4 O -0.2098(4) 0.2858(4) 0.9480(2) 0.0304(9) Uani 1 1 d .
O5 O -0.1620(4) 0.1813(4) 0.8121(2) 0.0272(9) Uani 1 1 d .
O6 O -0.1003(4) -0.3898(4) 0.9547(3) 0.0318(9) Uani 1 1 d .
O7 O -0.1213(4) -0.2923(4) 1.0970(2) 0.0276(9) Uani 1 1 d .
C1 C -0.1147(6) 0.7575(6) 0.7474(4) 0.0315(14) Uani 1 1 d .
H1 H -0.1764 0.7621 0.7985 0.038 Uiso 1 1 calc R
C2 C -0.0983(6) 0.8770(6) 0.6912(4) 0.0310(14) Uani 1 1 d .
H2 H -0.1491 0.9585 0.7042 0.037 Uiso 1 1 calc R
C3 C -0.0073(6) 0.8724(6) 0.6175(3) 0.0254(13) Uani 1 1 d .
H3 H 0.0064 0.9520 0.5798 0.030 Uiso 1 1 calc R
C4 C 0.0665(6) 0.7475(6) 0.5979(3) 0.0238(12) Uani 1 1 d .
C5 C 0.1686(6) 0.7338(6) 0.5226(3) 0.0219(12) Uani 1 1 d .
C6 C 0.2294(6) 0.6016(6) 0.5056(3) 0.0229(12) Uani 1 1 d .
C7 C 0.1970(6) 0.4756(6) 0.5592(3) 0.0232(12) Uani 1 1 d .
C8 C 0.2471(6) 0.3366(6) 0.5402(4) 0.0251(12) Uani 1 1 d .
H8 H 0.3069 0.3209 0.4892 0.030 Uiso 1 1 calc R
C9 C 0.2065(6) 0.2245(6) 0.5977(4) 0.0253(12) Uani 1 1 d .
H9 H 0.2371 0.1311 0.5859 0.030 Uiso 1 1 calc R
C10 C 0.1184(6) 0.2527(6) 0.6746(4) 0.0250(12) Uani 1 1 d .
H10 H 0.0918 0.1758 0.7131 0.030 Uiso 1 1 calc R
C11 C 0.1052(5) 0.4936(5) 0.6368(3) 0.0193(11) Uani 1 1 d .
C12 C 0.0424(5) 0.6304(6) 0.6565(3) 0.0189(11) Uani 1 1 d .
C13 C 0.3211(6) 0.7698(6) 0.4114(4) 0.0277(13) Uani 1 1 d .
C14 C 0.4243(6) 0.8467(6) 0.3459(3) 0.0234(12) Uani 1 1 d .
C15 C 0.4574(6) 1.0015(6) 0.3630(4) 0.0306(13) Uani 1 1 d .
H15 H 0.4101 1.0483 0.4114 0.037 Uiso 1 1 calc R
C16 C 0.5592(7) 1.0881(6) 0.3097(4) 0.0351(14) Uani 1 1 d .
H16 H 0.5768 1.1918 0.3213 0.042 Uiso 1 1 calc R
C17 C 0.6343(7) 1.0198(7) 0.2393(4) 0.0343(14) Uani 1 1 d .
H17 H 0.7051 1.0764 0.2045 0.041 Uiso 1 1 calc R
C18 C 0.6024(6) 0.8663(6) 0.2216(3) 0.0275(13) Uani 1 1 d .
H18 H 0.6531 0.8203 0.1745 0.033 Uiso 1 1 calc R
C19 C 0.4973(6) 0.7786(6) 0.2716(3) 0.0230(12) Uani 1 1 d .
C20 C -0.2249(6) 0.1723(6) 0.8903(4) 0.0249(12) Uani 1 1 d .
C21 C -0.3080(6) 0.0266(6) 0.9147(4) 0.0333(14) Uani 1 1 d .
H21A H -0.3492 -0.0314 0.8584 0.040 Uiso 1 1 calc R
H21B H -0.3926 0.0445 0.9534 0.040 Uiso 1 1 calc R
C22 C -0.2073(6) -0.0622(6) 0.9652(4) 0.0284(13) Uani 1 1 d .
H22A H -0.1790 -0.0105 1.0255 0.034 Uiso 1 1 calc R
H22B H -0.1148 -0.0653 0.9309 0.034 Uiso 1 1 calc R
C23 C -0.2800(6) -0.2231(5) 0.9789(4) 0.0237(12) Uani 1 1 d .
H23A H -0.3603 -0.2224 1.0234 0.028 Uiso 1 1 calc R
H23B H -0.3244 -0.2714 0.9206 0.028 Uiso 1 1 calc R
C24 C -0.1604(6) -0.3082(6) 1.0133(4) 0.0231(12) Uani 1 1 d .
O8 O 0.1895(4) 0.5969(4) 0.8679(3) 0.0314(9) Uani 1 1 d D
H8A H 0.195(6) 0.647(5) 0.920(2) 0.038 Uiso 1 1 d D
H8B H 0.270(4) 0.560(6) 0.859(4) 0.038 Uiso 1 1 d 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
O6 Y1 O1 86.41(13) 1_565 2_566
O6 Y1 O7 110.48(13) 1_565 2_557
O1 Y1 O7 148.87(13) 2_566 2_557
O6 Y1 O5 132.96(13) 1_565 .
O1 Y1 O5 75.84(12) 2_566 .
O7 Y1 O5 73.58(13) 2_557 .
O6 Y1 O4 79.40(13) 1_565 .
O1 Y1 O4 78.78(13) 2_566 .
O7 Y1 O4 78.99(12) 2_557 .
O5 Y1 O4 54.75(12) . .
O6 Y1 O8 77.05(13) 1_565 .
O1 Y1 O8 138.61(13) 2_566 .
O7 Y1 O8 72.15(13) 2_557 .
O5 Y1 O8 141.14(12) . .
O4 Y1 O8 132.94(13) . .
O6 Y1 N2 146.33(14) 1_565 .
O1 Y1 N2 97.98(13) 2_566 .
O7 Y1 N2 82.41(12) 2_557 .
O5 Y1 N2 79.99(12) . .
O4 Y1 N2 134.25(13) . .
O8 Y1 N2 77.88(13) . .
O6 Y1 N1 87.23(13) 1_565 .
O1 Y1 N1 69.19(13) 2_566 .
O7 Y1 N1 135.02(13) 2_557 .
O5 Y1 N1 124.06(13) . .
O4 Y1 N1 145.96(13) . .
O8 Y1 N1 72.31(14) . .
N2 Y1 N1 63.85(13) . .
O3 S1 O2 113.8(2) . .
O3 S1 O1 112.7(2) . .
O2 S1 O1 110.8(2) . .
O3 S1 C19 106.8(2) . .
O2 S1 C19 107.5(2) . .
O1 S1 C19 104.5(2) . .
C1 N1 C12 118.0(4) . .
C1 N1 Y1 121.8(3) . .
C12 N1 Y1 119.9(3) . .
C10 N2 C11 118.0(4) . .
C10 N2 Y1 121.5(3) . .
C11 N2 Y1 120.2(3) . .
C13 N3 C5 105.0(4) . .
C6 N4 C13 107.7(4) . .
C6 N4 H4 126.2 . .
C13 N4 H4 126.2 . .
S1 O1 Y1 163.3(2) . 2_566
C20 O4 Y1 92.6(3) . .
C20 O5 Y1 93.0(3) . .
C24 O6 Y1 165.3(4) . 1_545
C24 O7 Y1 119.7(3) . 2_557
N1 C1 C2 123.3(5) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C3 C2 C1 118.9(5) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
C2 C3 C4 119.8(5) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C12 C4 C3 118.1(4) . .
C12 C4 C5 117.9(4) . .
C3 C4 C5 124.0(5) . .
N3 C5 C6 110.8(4) . .
N3 C5 C4 129.4(5) . .
C6 C5 C4 119.7(4) . .
N4 C6 C5 105.2(4) . .
N4 C6 C7 131.2(5) . .
C5 C6 C7 123.6(4) . .
C8 C7 C11 118.4(5) . .
C8 C7 C6 125.3(4) . .
C11 C7 C6 116.3(4) . .
C9 C8 C7 119.1(5) . .
C9 C8 H8 120.5 . .
C7 C8 H8 120.5 . .
C8 C9 C10 119.0(5) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
N2 C10 C9 123.7(5) . .
N2 C10 H10 118.2 . .
C9 C10 H10 118.2 . .
N2 C11 C7 121.8(4) . .
N2 C11 C12 117.3(4) . .
C7 C11 C12 120.9(4) . .
N1 C12 C4 122.0(4) . .
N1 C12 C11 116.8(4) . .
C4 C12 C11 121.2(4) . .
N3 C13 N4 111.3(4) . .
N3 C13 C14 124.2(5) . .
N4 C13 C14 124.2(4) . .
C15 C14 C19 117.9(5) . .
C15 C14 C13 115.4(5) . .
C19 C14 C13 126.6(5) . .
C16 C15 C14 121.8(5) . .
C16 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
C17 C16 C15 119.9(5) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C18 C17 C16 118.8(5) . .
C18 C17 H17 120.6 . .
C16 C17 H17 120.6 . .
C17 C18 C19 122.2(5) . .
C17 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
C18 C19 C14 119.3(5) . .
C18 C19 S1 116.1(4) . .
C14 C19 S1 124.5(4) . .
O4 C20 O5 119.6(5) . .
O4 C20 C21 120.7(5) . .
O5 C20 C21 119.6(5) . .
C20 C21 C22 112.1(5) . .
C20 C21 H21A 109.2 . .
C22 C21 H21A 109.2 . .
C20 C21 H21B 109.2 . .
C22 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
C21 C22 C23 114.3(5) . .
C21 C22 H22A 108.7 . .
C23 C22 H22A 108.7 . .
C21 C22 H22B 108.7 . .
C23 C22 H22B 108.7 . .
H22A C22 H22B 107.6 . .
C24 C23 C22 109.1(4) . .
C24 C23 H23A 109.9 . .
C22 C23 H23A 109.9 . .
C24 C23 H23B 109.9 . .
C22 C23 H23B 109.9 . .
H23A C23 H23B 108.3 . .
O7 C24 O6 122.8(5) . .
O7 C24 C23 119.4(4) . .
O6 C24 C23 117.7(5) . .
Y1 O8 H8A 111(4) . .
Y1 O8 H8B 119(4) . .
H8A O8 H8B 110(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O6 2.218(3) 1_565
Y1 O1 2.327(4) 2_566
Y1 O7 2.355(3) 2_557
Y1 O5 2.377(4) .
Y1 O4 2.390(3) .
Y1 O8 2.430(4) .
Y1 N2 2.519(4) .
Y1 N1 2.544(4) .
S1 O3 1.440(4) .
S1 O2 1.448(4) .
S1 O1 1.464(4) .
S1 C19 1.797(5) .
N1 C1 1.335(6) .
N1 C12 1.354(6) .
N2 C10 1.326(6) .
N2 C11 1.364(6) .
N3 C13 1.336(6) .
N3 C5 1.353(6) .
N4 C6 1.356(6) .
N4 C13 1.362(6) .
N4 H4 0.8600 .
O1 Y1 2.327(4) 2_566
O4 C20 1.263(6) .
O5 C20 1.272(6) .
O6 C24 1.259(6) .
O6 Y1 2.218(3) 1_545
O7 C24 1.247(6) .
O7 Y1 2.355(3) 2_557
C1 C2 1.393(7) .
C1 H1 0.9300 .
C2 C3 1.350(7) .
C2 H2 0.9300 .
C3 C4 1.402(7) .
C3 H3 0.9300 .
C4 C12 1.399(6) .
C4 C5 1.439(7) .
C5 C6 1.391(7) .
C6 C7 1.424(7) .
C7 C8 1.404(7) .
C7 C11 1.412(6) .
C8 C9 1.371(7) .
C8 H8 0.9300 .
C9 C10 1.400(7) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.442(6) .
C13 C14 1.471(7) .
C14 C15 1.390(7) .
C14 C19 1.413(7) .
C15 C16 1.389(7) .
C15 H15 0.9300 .
C16 C17 1.385(8) .
C16 H16 0.9300 .
C17 C18 1.379(8) .
C17 H17 0.9300 .
C18 C19 1.383(7) .
C18 H18 0.9300 .
C20 C21 1.482(7) .
C21 C22 1.504(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.532(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.502(7) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
O8 H8A 0.85(2) .
O8 H8B 0.84(2) .
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_4
O6 Y1 N1 C1 -22.8(4) 1_565 .
O1 Y1 N1 C1 64.4(4) 2_566 .
O7 Y1 N1 C1 -139.4(4) 2_557 .
O5 Y1 N1 C1 119.4(4) . .
O4 Y1 N1 C1 43.5(5) . .
O8 Y1 N1 C1 -100.1(4) . .
N2 Y1 N1 C1 175.0(5) . .
O6 Y1 N1 C12 150.2(4) 1_565 .
O1 Y1 N1 C12 -122.6(4) 2_566 .
O7 Y1 N1 C12 33.6(5) 2_557 .
O5 Y1 N1 C12 -67.6(4) . .
O4 Y1 N1 C12 -143.5(3) . .
O8 Y1 N1 C12 72.9(4) . .
N2 Y1 N1 C12 -12.0(4) . .
O6 Y1 N2 C10 151.7(4) 1_565 .
O1 Y1 N2 C10 -112.7(4) 2_566 .
O7 Y1 N2 C10 35.8(4) 2_557 .
O5 Y1 N2 C10 -38.7(4) . .
O4 Y1 N2 C10 -30.7(5) . .
O8 Y1 N2 C10 109.1(4) . .
N1 Y1 N2 C10 -174.8(4) . .
O6 Y1 N2 C11 -21.7(5) 1_565 .
O1 Y1 N2 C11 73.9(4) 2_566 .
O7 Y1 N2 C11 -137.6(4) 2_557 .
O5 Y1 N2 C11 147.9(4) . .
O4 Y1 N2 C11 155.9(3) . .
O8 Y1 N2 C11 -64.3(4) . .
N1 Y1 N2 C11 11.8(3) . .
O3 S1 O1 Y1 -63.1(9) . 2_566
O2 S1 O1 Y1 168.1(8) . 2_566
C19 S1 O1 Y1 52.5(8) . 2_566
O6 Y1 O4 C20 169.1(3) 1_565 .
O1 Y1 O4 C20 80.7(3) 2_566 .
O7 Y1 O4 C20 -77.4(3) 2_557 .
O5 Y1 O4 C20 0.2(3) . .
O8 Y1 O4 C20 -129.9(3) . .
N2 Y1 O4 C20 -9.5(4) . .
N1 Y1 O4 C20 100.5(3) . .
O6 Y1 O5 C20 -15.2(4) 1_565 .
O1 Y1 O5 C20 -86.3(3) 2_566 .
O7 Y1 O5 C20 87.7(3) 2_557 .
O4 Y1 O5 C20 -0.2(3) . .
O8 Y1 O5 C20 116.7(3) . .
N2 Y1 O5 C20 172.7(3) . .
N1 Y1 O5 C20 -138.6(3) . .
C12 N1 C1 C2 -0.5(8) . .
Y1 N1 C1 C2 172.6(4) . .
N1 C1 C2 C3 -0.9(9) . .
C1 C2 C3 C4 1.1(9) . .
C2 C3 C4 C12 0.0(8) . .
C2 C3 C4 C5 -178.3(5) . .
C13 N3 C5 C6 -1.6(6) . .
C13 N3 C5 C4 175.9(5) . .
C12 C4 C5 N3 -171.9(5) . .
C3 C4 C5 N3 6.4(9) . .
C12 C4 C5 C6 5.4(8) . .
C3 C4 C5 C6 -176.3(5) . .
C13 N4 C6 C5 1.2(6) . .
C13 N4 C6 C7 -175.8(6) . .
N3 C5 C6 N4 0.3(6) . .
C4 C5 C6 N4 -177.5(5) . .
N3 C5 C6 C7 177.6(5) . .
C4 C5 C6 C7 -0.2(8) . .
N4 C6 C7 C8 -8.4(9) . .
C5 C6 C7 C8 175.1(5) . .
N4 C6 C7 C11 172.5(5) . .
C5 C6 C7 C11 -4.0(8) . .
C11 C7 C8 C9 -0.6(8) . .
C6 C7 C8 C9 -179.7(5) . .
C7 C8 C9 C10 -1.0(8) . .
C11 N2 C10 C9 2.4(8) . .
Y1 N2 C10 C9 -171.1(4) . .
C8 C9 C10 N2 0.1(8) . .
C10 N2 C11 C7 -4.1(7) . .
Y1 N2 C11 C7 169.5(4) . .
C10 N2 C11 C12 175.2(5) . .
Y1 N2 C11 C12 -11.1(6) . .
C8 C7 C11 N2 3.3(8) . .
C6 C7 C11 N2 -177.6(5) . .
C8 C7 C11 C12 -176.1(5) . .
C6 C7 C11 C12 3.1(7) . .
C1 N1 C12 C4 1.7(8) . .
Y1 N1 C12 C4 -171.5(4) . .
C1 N1 C12 C11 -175.2(5) . .
Y1 N1 C12 C11 11.5(6) . .
C3 C4 C12 N1 -1.5(8) . .
C5 C4 C12 N1 177.0(5) . .
C3 C4 C12 C11 175.3(5) . .
C5 C4 C12 C11 -6.2(8) . .
N2 C11 C12 N1 -0.4(7) . .
C7 C11 C12 N1 179.0(5) . .
N2 C11 C12 C4 -177.3(5) . .
C7 C11 C12 C4 2.0(8) . .
C5 N3 C13 N4 2.4(6) . .
C5 N3 C13 C14 -171.1(5) . .
C6 N4 C13 N3 -2.3(6) . .
C6 N4 C13 C14 171.2(5) . .
N3 C13 C14 C15 22.5(8) . .
N4 C13 C14 C15 -150.2(5) . .
N3 C13 C14 C19 -160.8(5) . .
N4 C13 C14 C19 26.5(9) . .
C19 C14 C15 C16 -0.3(8) . .
C13 C14 C15 C16 176.7(5) . .
C14 C15 C16 C17 -2.1(9) . .
C15 C16 C17 C18 2.1(8) . .
C16 C17 C18 C19 0.3(9) . .
C17 C18 C19 C14 -2.7(8) . .
C17 C18 C19 S1 176.0(4) . .
C15 C14 C19 C18 2.6(7) . .
C13 C14 C19 C18 -174.0(5) . .
C15 C14 C19 S1 -176.0(4) . .
C13 C14 C19 S1 7.4(8) . .
O3 S1 C19 C18 -2.3(5) . .
O2 S1 C19 C18 120.2(4) . .
O1 S1 C19 C18 -122.0(4) . .
O3 S1 C19 C14 176.3(4) . .
O2 S1 C19 C14 -61.1(5) . .
O1 S1 C19 C14 56.7(5) . .
Y1 O4 C20 O5 -0.4(5) . .
Y1 O4 C20 C21 176.3(4) . .
Y1 O5 C20 O4 0.4(5) . .
Y1 O5 C20 C21 -176.3(4) . .
O4 C20 C21 C22 -85.1(6) . .
O5 C20 C21 C22 91.6(6) . .
C20 C21 C22 C23 -171.0(5) . .
C21 C22 C23 C24 169.4(4) . .
Y1 O7 C24 O6 -6.1(7) 2_557 .
Y1 O7 C24 C23 176.2(3) 2_557 .
Y1 O6 C24 O7 120.6(13) 1_545 .
Y1 O6 C24 C23 -61.7(15) 1_545 .
C22 C23 C24 O7 80.0(6) . .
C22 C23 C24 O6 -97.8(6) . .
