#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:08:46 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187087 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/04/7040483.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_7040483
loop_
_publ_author_name
'Li, Chuan-Ti'
'Zhao, Yi-Fan'
'Hu, Huai-Ming'
'Zhao, Hui'
'Wang, Xiaofang'
'Xue, Ganglin'
_publ_section_title
;
 Lanthanide coordination frameworks constructed from
 3,3',4,4'-diphenylsulfonetetracarboxylic and 1,10-phenanthroline:
 synthesis, crystal structures and luminescence properties.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15436
_journal_paper_doi               10.1039/c6dt02646j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C16 H6 O12 S Tb, O0.50, O0.50'
_chemical_formula_sum            'C16 H6 O13 S Tb'
_chemical_formula_weight         597.19
_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
;
2016-07-01 deposited with the CCDC.
2016-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                110.088(4)
_cell_angle_beta                 94.904(4)
_cell_angle_gamma                93.524(4)
_cell_formula_units_Z            2
_cell_length_a                   5.9118(15)
_cell_length_b                   13.215(3)
_cell_length_c                   13.723(4)
_cell_measurement_reflns_used    2275
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.24
_cell_measurement_theta_min      3.02
_cell_volume                     998.5(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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0821
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4838
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    3.714
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.631
_refine_diff_density_min         -3.586
_refine_diff_density_rms         0.386
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0783
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1294P)²+12.6482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2164
_refine_ls_wR_factor_ref         0.2201
_reflns_number_gt                3262
_reflns_number_total             3459
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt02646j2.cif
_cod_data_source_block           nw1972_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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040480--7040491.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7040483
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
Tb1 Tb 0.12548(9) 1.13766(5) 0.13600(5) 0.0147(3) Uani 1 1 d .
S1 S 0.0352(6) 0.6141(3) 0.2491(3) 0.0231(8) Uani 1 1 d .
O1 O 0.3240(17) 0.9959(8) 0.1723(8) 0.024(2) Uani 1 1 d .
O2 O 0.1068(17) 0.9227(8) 0.0238(8) 0.025(2) Uani 1 1 d .
O3 O 0.5885(17) 0.8803(8) -0.0161(8) 0.026(2) Uani 1 1 d .
O4 O 0.7445(18) 0.7255(9) -0.0655(9) 0.030(2) Uani 1 1 d .
O5 O 0.8185(17) 0.8222(10) 0.6732(9) 0.032(3) Uani 1 1 d .
O6 O 0.5505(18) 0.7568(10) 0.7424(8) 0.031(3) Uani 1 1 d .
O7 O 0.843(2) 0.5910(10) 0.5725(9) 0.036(3) Uani 1 1 d .
O8 O 0.7835(19) 0.5008(10) 0.4009(8) 0.032(3) Uani 1 1 d .
O9 O -0.1696(18) 0.6691(11) 0.2668(9) 0.036(3) Uani 1 1 d .
O10 O 0.018(2) 0.4985(9) 0.2068(9) 0.033(3) Uani 1 1 d .
C1 C 0.240(2) 0.9143(11) 0.0970(11) 0.018(3) Uani 1 1 d .
C2 C 0.286(2) 0.8041(11) 0.1001(10) 0.016(3) Uani 1 1 d .
C3 C 0.154(2) 0.7630(12) 0.1599(12) 0.024(3) Uani 1 1 d .
H3 H 0.0396 0.8016 0.1937 0.028 Uiso 1 1 calc R
C4 C 0.194(2) 0.6648(12) 0.1682(11) 0.021(3) Uani 1 1 d .
C5 C 0.359(3) 0.6045(13) 0.1191(12) 0.028(3) Uani 1 1 d .
H5 H 0.3810 0.5376 0.1248 0.034 Uiso 1 1 calc R
C6 C 0.495(3) 0.6465(13) 0.0597(13) 0.030(4) Uani 1 1 d .
H6 H 0.6100 0.6079 0.0265 0.035 Uiso 1 1 calc R
C7 C 0.456(2) 0.7458(11) 0.0510(11) 0.019(3) Uani 1 1 d .
C8 C 0.599(2) 0.7863(13) -0.0148(10) 0.021(3) Uani 1 1 d .
C9 C 0.628(3) 0.7691(11) 0.6640(12) 0.026(3) Uani 1 1 d .
C10 C 0.491(2) 0.7242(13) 0.5588(12) 0.025(3) Uani 1 1 d .
C11 C 0.293(3) 0.7733(15) 0.5462(13) 0.034(4) Uani 1 1 d .
H11 H 0.2505 0.8275 0.6036 0.041 Uiso 1 1 calc R
C12 C 0.159(3) 0.7447(14) 0.4527(12) 0.029(4) Uani 1 1 d .
H12 H 0.0371 0.7834 0.4451 0.035 Uiso 1 1 calc R
C13 C 0.211(2) 0.6552(12) 0.3674(11) 0.018(3) Uani 1 1 d .
C14 C 0.401(2) 0.6027(13) 0.3791(11) 0.024(3) Uani 1 1 d .
H14 H 0.4375 0.5452 0.3229 0.028 Uiso 1 1 calc R
C15 C 0.538(2) 0.6348(11) 0.4735(11) 0.020(3) Uani 1 1 d .
C16 C 0.739(2) 0.5729(13) 0.4869(11) 0.022(3) Uani 1 1 d .
O11 O -0.2029(18) 1.0504(10) 0.1743(9) 0.036(3) Uani 1 1 d .
O12 O -0.1205(18) 1.2803(9) 0.1907(9) 0.031(3) Uani 1 1 d .
O13 O 0.765(10) 0.001(3) 0.593(3) 0.13(2) Uani 0.50 1 d P
O14 O 0.770(12) 0.928(4) 0.320(4) 0.18(3) Uani 0.50 1 d P
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'
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
O2 Tb1 O11 77.4(4) 2_575 .
O2 Tb1 O12 86.2(4) 2_575 .
O11 Tb1 O12 76.7(4) . .
O2 Tb1 O3 79.5(4) 2_575 2_675
O11 Tb1 O3 145.0(4) . 2_675
O12 Tb1 O3 127.5(3) . 2_675
O2 Tb1 O6 154.1(4) 2_575 2_676
O11 Tb1 O6 127.7(4) . 2_676
O12 Tb1 O6 93.5(4) . 2_676
O3 Tb1 O6 80.3(4) 2_675 2_676
O2 Tb1 O1 113.8(3) 2_575 .
O11 Tb1 O1 84.4(4) . .
O12 Tb1 O1 148.9(4) . .
O3 Tb1 O1 81.3(3) 2_675 .
O6 Tb1 O1 78.6(4) 2_676 .
O2 Tb1 O4 80.5(4) 2_575 2_675
O11 Tb1 O4 144.2(4) . 2_675
O12 Tb1 O4 73.9(4) . 2_675
O3 Tb1 O4 54.0(3) 2_675 2_675
O6 Tb1 O4 74.6(4) 2_676 2_675
O1 Tb1 O4 130.7(3) . 2_675
O2 Tb1 O5 151.1(4) 2_575 2_676
O11 Tb1 O5 74.6(4) . 2_676
O12 Tb1 O5 80.7(4) . 2_676
O3 Tb1 O5 128.6(3) 2_675 2_676
O6 Tb1 O5 53.1(3) 2_676 2_676
O1 Tb1 O5 70.5(4) . 2_676
O4 Tb1 O5 119.5(4) 2_675 2_676
O2 Tb1 O2 64.0(4) 2_575 .
O11 Tb1 O2 72.1(4) . .
O12 Tb1 O2 140.6(4) . .
O3 Tb1 O2 74.2(3) 2_675 .
O6 Tb1 O2 124.7(4) 2_676 .
O1 Tb1 O2 49.8(3) . .
O4 Tb1 O2 121.7(3) 2_675 .
O5 Tb1 O2 112.8(4) 2_676 .
O2 Tb1 C8 79.6(4) 2_575 2_675
O11 Tb1 C8 157.0(4) . 2_675
O12 Tb1 C8 101.3(4) . 2_675
O3 Tb1 C8 26.5(4) 2_675 2_675
O6 Tb1 C8 75.1(4) 2_676 2_675
O1 Tb1 C8 105.5(4) . 2_675
O4 Tb1 C8 27.5(4) 2_675 2_675
O5 Tb1 C8 128.1(4) 2_676 2_675
O2 Tb1 C8 98.1(4) . 2_675
O2 Tb1 C9 173.1(4) 2_575 2_676
O11 Tb1 C9 101.1(5) . 2_676
O12 Tb1 C9 86.9(4) . 2_676
O3 Tb1 C9 104.6(4) 2_675 2_676
O6 Tb1 C9 26.5(4) 2_676 2_676
O1 Tb1 C9 72.5(4) . 2_676
O4 Tb1 C9 97.4(4) 2_675 2_676
O5 Tb1 C9 26.5(4) 2_676 2_676
O2 Tb1 C9 122.2(4) . 2_676
C8 Tb1 C9 101.6(5) 2_675 2_676
O10 S1 O9 119.7(7) . .
O10 S1 C13 107.4(7) . .
O9 S1 C13 107.9(7) . .
O10 S1 C4 108.1(7) . .
O9 S1 C4 108.7(7) . .
C13 S1 C4 103.7(7) . .
C1 O1 Tb1 101.2(8) . .
C1 O2 Tb1 156.5(9) . 2_575
C1 O2 Tb1 87.5(8) . .
Tb1 O2 Tb1 116.0(4) 2_575 .
C8 O3 Tb1 93.7(8) . 2_675
C8 O4 Tb1 91.9(9) . 2_675
C9 O5 Tb1 92.1(9) . 2_676
C9 O6 Tb1 93.9(9) . 2_676
O1 C1 O2 121.2(13) . .
O1 C1 C2 118.2(12) . .
O2 C1 C2 120.4(12) . .
C7 C2 C3 119.5(13) . .
C7 C2 C1 123.4(12) . .
C3 C2 C1 117.1(12) . .
C4 C3 C2 119.3(13) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C5 C4 C3 122.4(13) . .
C5 C4 S1 117.7(11) . .
C3 C4 S1 119.8(11) . .
C4 C5 C6 118.4(14) . .
C4 C5 H5 120.8 . .
C6 C5 H5 120.8 . .
C7 C6 C5 119.7(14) . .
C7 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
C2 C7 C6 120.7(14) . .
C2 C7 C8 121.0(13) . .
C6 C7 C8 118.2(13) . .
O3 C8 O4 120.2(13) . .
O3 C8 C7 120.7(12) . .
O4 C8 C7 118.9(13) . .
O3 C8 Tb1 59.7(7) . 2_675
O4 C8 Tb1 60.5(7) . 2_675
C7 C8 Tb1 178.8(9) . 2_675
O5 C9 O6 120.9(14) . .
O5 C9 C10 119.0(15) . .
O6 C9 C10 120.1(14) . .
O5 C9 Tb1 61.4(8) . 2_676
O6 C9 Tb1 59.5(8) . 2_676
C10 C9 Tb1 177.2(10) . 2_676
C11 C10 C15 117.5(14) . .
C11 C10 C9 116.5(14) . .
C15 C10 C9 125.9(13) . .
C12 C11 C10 122.5(15) . .
C12 C11 H11 118.7 . .
C10 C11 H11 118.7 . .
C11 C12 C13 119.0(14) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
C14 C13 C12 119.3(13) . .
C14 C13 S1 121.0(12) . .
C12 C13 S1 119.7(10) . .
C15 C14 C13 120.8(14) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C10 120.5(13) . .
C14 C15 C16 120.2(13) . .
C10 C15 C16 119.3(13) . .
O7 C16 O8 125.0(13) . .
O7 C16 C15 120.9(14) . .
O8 C16 C15 114.0(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O2 2.341(10) 2_575
Tb1 O11 2.385(10) .
Tb1 O12 2.404(11) .
Tb1 O3 2.425(10) 2_675
Tb1 O6 2.434(11) 2_676
Tb1 O1 2.439(10) .
Tb1 O4 2.441(10) 2_675
Tb1 O5 2.475(11) 2_676
Tb1 O2 2.717(10) .
Tb1 C8 2.801(14) 2_675
Tb1 C9 2.818(15) 2_676
S1 O10 1.429(12) .
S1 O9 1.445(12) .
S1 C13 1.745(13) .
S1 C4 1.781(14) .
O1 C1 1.248(17) .
O2 C1 1.263(17) .
O2 Tb1 2.341(10) 2_575
O3 C8 1.254(18) .
O3 Tb1 2.425(10) 2_675
O4 C8 1.294(17) .
O4 Tb1 2.441(10) 2_675
O5 C9 1.260(19) .
O5 Tb1 2.475(11) 2_676
O6 C9 1.26(2) .
O6 Tb1 2.434(11) 2_676
O7 C16 1.217(18) .
O8 C16 1.295(19) .
C1 C2 1.511(19) .
C2 C7 1.39(2) .
C2 C3 1.392(19) .
C3 C4 1.38(2) .
C3 H3 0.9300 .
C4 C5 1.37(2) .
C5 C6 1.41(2) .
C5 H5 0.9300 .
C6 C7 1.39(2) .
C6 H6 0.9300 .
C7 C8 1.49(2) .
C8 Tb1 2.801(14) 2_675
C9 C10 1.50(2) .
C9 Tb1 2.818(15) 2_676
C10 C11 1.40(2) .
C10 C15 1.41(2) .
C11 C12 1.37(2) .
C11 H11 0.9300 .
C12 C13 1.42(2) .
C12 H12 0.9300 .
C13 C14 1.39(2) .
C14 C15 1.38(2) .
C14 H14 0.9300 .
C15 C16 1.518(18) .
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
O2 Tb1 O1 C1 -5.3(9) 2_575 .
O11 Tb1 O1 C1 68.3(9) . .
O12 Tb1 O1 C1 120.9(9) . .
O3 Tb1 O1 C1 -79.7(9) 2_675 .
O6 Tb1 O1 C1 -161.5(9) 2_676 .
O4 Tb1 O1 C1 -103.5(9) 2_675 .
O5 Tb1 O1 C1 143.9(9) 2_676 .
O2 Tb1 O1 C1 -3.0(8) . .
C8 Tb1 O1 C1 -90.6(9) 2_675 .
C9 Tb1 O1 C1 171.8(9) 2_676 .
O2 Tb1 O2 C1 -179.4(11) 2_575 .
O11 Tb1 O2 C1 -95.0(8) . .
O12 Tb1 O2 C1 -134.5(8) . .
O3 Tb1 O2 C1 94.8(8) 2_675 .
O6 Tb1 O2 C1 29.0(9) 2_676 .
O1 Tb1 O2 C1 2.9(7) . .
O4 Tb1 O2 C1 121.7(8) 2_675 .
O5 Tb1 O2 C1 -31.0(9) 2_676 .
C8 Tb1 O2 C1 106.4(8) 2_675 .
C9 Tb1 O2 C1 -2.8(10) 2_676 .
O2 Tb1 O2 Tb1 0.0 2_575 2_575
O11 Tb1 O2 Tb1 84.4(5) . 2_575
O12 Tb1 O2 Tb1 44.9(8) . 2_575
O3 Tb1 O2 Tb1 -85.8(5) 2_675 2_575
O6 Tb1 O2 Tb1 -151.7(4) 2_676 2_575
O1 Tb1 O2 Tb1 -177.7(7) . 2_575
O4 Tb1 O2 Tb1 -58.9(6) 2_675 2_575
O5 Tb1 O2 Tb1 148.4(4) 2_676 2_575
C8 Tb1 O2 Tb1 -74.2(5) 2_675 2_575
C9 Tb1 O2 Tb1 176.5(5) 2_676 2_575
Tb1 O1 C1 O2 5.8(15) . .
Tb1 O1 C1 C2 -168.7(10) . .
Tb1 O2 C1 O1 176.3(16) 2_575 .
Tb1 O2 C1 O1 -5.1(13) . .
Tb1 O2 C1 C2 -9(3) 2_575 .
Tb1 O2 C1 C2 169.3(11) . .
O1 C1 C2 C7 -97.2(16) . .
O2 C1 C2 C7 88.2(17) . .
O1 C1 C2 C3 79.8(17) . .
O2 C1 C2 C3 -94.8(16) . .
C7 C2 C3 C4 -1(2) . .
C1 C2 C3 C4 -177.7(13) . .
C2 C3 C4 C5 -1(2) . .
C2 C3 C4 S1 177.2(11) . .
O10 S1 C4 C5 -31.2(15) . .
O9 S1 C4 C5 -162.6(13) . .
C13 S1 C4 C5 82.7(14) . .
O10 S1 C4 C3 151.0(13) . .
O9 S1 C4 C3 19.6(15) . .
C13 S1 C4 C3 -95.1(13) . .
C3 C4 C5 C6 1(2) . .
S1 C4 C5 C6 -176.4(12) . .
C4 C5 C6 C7 -1(2) . .
C3 C2 C7 C6 1(2) . .
C1 C2 C7 C6 177.8(13) . .
C3 C2 C7 C8 179.0(12) . .
C1 C2 C7 C8 -4(2) . .
C5 C6 C7 C2 0(2) . .
C5 C6 C7 C8 -178.3(14) . .
Tb1 O3 C8 O4 3.3(14) 2_675 .
Tb1 O3 C8 C7 178.7(11) 2_675 .
Tb1 O4 C8 O3 -3.2(14) 2_675 .
Tb1 O4 C8 C7 -178.8(11) 2_675 .
C2 C7 C8 O3 10(2) . .
C6 C7 C8 O3 -172.1(14) . .
C2 C7 C8 O4 -174.9(13) . .
C6 C7 C8 O4 3(2) . .
C2 C7 C8 Tb1 123(53) . 2_675
C6 C7 C8 Tb1 -59(54) . 2_675
Tb1 O5 C9 O6 -0.8(15) 2_676 .
Tb1 O5 C9 C10 176.8(12) 2_676 .
Tb1 O6 C9 O5 0.8(15) 2_676 .
Tb1 O6 C9 C10 -176.8(12) 2_676 .
O5 C9 C10 C11 -109.1(17) . .
O6 C9 C10 C11 69(2) . .
Tb1 C9 C10 C11 -12(25) 2_676 .
O5 C9 C10 C15 74(2) . .
O6 C9 C10 C15 -108.9(18) . .
Tb1 C9 C10 C15 170(23) 2_676 .
C15 C10 C11 C12 -6(3) . .
C9 C10 C11 C12 175.9(16) . .
C10 C11 C12 C13 6(3) . .
C11 C12 C13 C14 -4(2) . .
C11 C12 C13 S1 177.4(13) . .
O10 S1 C13 C14 38.6(13) . .
O9 S1 C13 C14 169.0(12) . .
C4 S1 C13 C14 -75.8(13) . .
O10 S1 C13 C12 -142.4(12) . .
O9 S1 C13 C12 -12.0(14) . .
C4 S1 C13 C12 103.2(12) . .
C12 C13 C14 C15 2(2) . .
S1 C13 C14 C15 -179.3(11) . .
C13 C14 C15 C10 -2(2) . .
C13 C14 C15 C16 176.8(13) . .
C11 C10 C15 C14 4(2) . .
C9 C10 C15 C14 -178.3(15) . .
C11 C10 C15 C16 -174.6(14) . .
C9 C10 C15 C16 3(2) . .
C14 C15 C16 O7 -170.4(15) . .
C10 C15 C16 O7 9(2) . .
C14 C15 C16 O8 9(2) . .
C10 C15 C16 O8 -172.4(13) . .
