#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:30:41 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179666 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/19/4511932.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_4511932
loop_
_publ_author_name
'Banerjee, Kaustuv'
'Roy, Sandipan'
'Biradha, Kumar'
_publ_section_title
;
 Design, Synthesis, and Photoluminescence Properties of One-, Two-, and
 Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic
 Interactions as Building Blocks
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5164
_journal_paper_doi               10.1021/cg500898c
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C56 H60 Ag3 N7 O17 S2'
_chemical_formula_weight         1490.84
_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
_cell_angle_alpha                114.498(4)
_cell_angle_beta                 99.310(4)
_cell_angle_gamma                100.904(3)
_cell_formula_units_Z            1
_cell_length_a                   7.4241(7)
_cell_length_b                   14.8914(14)
_cell_length_c                   14.959(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1423.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0548
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16017
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.174
_exptl_crystal_colour            'Dark Yellow'
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.951
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.250
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.250
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.030
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                3087
_reflns_number_total             5221
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500898c_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4511930--4511934.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4511932
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
Ag1 Ag 0.27722(9) 0.46035(5) 0.47052(6) 0.0676(3) Uani 1 1 d .
Ag2 Ag -0.5000 0.5000 0.0000 0.1463(7) Uani 1 2 d S
O1 O 0.3388(8) 0.0573(4) 0.6273(4) 0.0741(18) Uani 1 1 d .
C1 C 0.2703(10) -0.0157(6) 0.5417(7) 0.048(2) Uani 1 1 d .
C2 C 0.2393(9) 0.0004(6) 0.4488(6) 0.0432(19) Uani 1 1 d .
C3 C 0.1523(11) -0.0914(6) 0.3445(6) 0.055(2) Uani 1 1 d .
H3A H 0.2534 -0.1120 0.3145 0.067 Uiso 1 1 calc .
H3B H 0.0756 -0.0716 0.3008 0.067 Uiso 1 1 calc .
C4 C 0.0304(10) -0.1812(5) 0.3491(5) 0.050(2) Uani 1 1 d .
H4A H -0.0777 -0.1629 0.3730 0.060 Uiso 1 1 calc .
H4B H -0.0179 -0.2389 0.2812 0.060 Uiso 1 1 calc .
C5 C 0.1418(10) -0.2125(5) 0.4196(6) 0.054(2) Uani 1 1 d .
H5A H 0.0596 -0.2706 0.4210 0.065 Uiso 1 1 calc .
H5B H 0.2462 -0.2341 0.3938 0.065 Uiso 1 1 calc .
C6 C 0.2193(9) -0.1260(5) 0.5255(6) 0.045(2) Uani 1 1 d .
N11 N 0.2891(9) 0.3056(5) 0.3931(6) 0.0579(18) Uani 1 1 d .
C11 C 0.2875(10) 0.1469(6) 0.3997(7) 0.048(2) Uani 1 1 d .
C12 C 0.2914(9) 0.2511(5) 0.4445(6) 0.048(2) Uani 1 1 d .
H12 H 0.2958 0.2834 0.5133 0.058 Uiso 1 1 calc R
C13 C 0.2867(11) 0.2594(7) 0.2951(8) 0.065(3) Uani 1 1 d .
H13 H 0.2864 0.2972 0.2588 0.078 Uiso 1 1 calc R
C14 C 0.2845(11) 0.1562(7) 0.2447(7) 0.069(2) Uani 1 1 d .
H14 H 0.2838 0.1260 0.1763 0.083 Uiso 1 1 calc R
C15 C 0.2835(11) 0.1006(6) 0.2981(7) 0.063(2) Uani 1 1 d .
H15 H 0.2802 0.0316 0.2658 0.076 Uiso 1 1 calc R
C16 C 0.2934(9) 0.0996(6) 0.4685(6) 0.047(2) Uani 1 1 d .
H16 H 0.3430 0.1461 0.5373 0.056 Uiso 1 1 calc R
N21 N 0.2240(8) -0.4017(5) 0.5743(5) 0.0532(18) Uani 1 1 d .
C21 C 0.2195(10) -0.2272(6) 0.6268(7) 0.053(2) Uani 1 1 d .
C22 C 0.2393(9) -0.3205(6) 0.5572(6) 0.050(2) Uani 1 1 d .
H22 H 0.2640 -0.3256 0.4965 0.060 Uiso 1 1 calc R
C23 C 0.1870(11) -0.3974(7) 0.6592(8) 0.068(3) Uani 1 1 d .
H23 H 0.1737 -0.4554 0.6697 0.082 Uiso 1 1 calc R
C24 C 0.1678(11) -0.3079(8) 0.7328(7) 0.077(3) Uani 1 1 d .
H24 H 0.1409 -0.3060 0.7920 0.093 Uiso 1 1 calc R
C25 C 0.1885(10) -0.2217(6) 0.7180(7) 0.064(2) Uani 1 1 d .
H25 H 0.1819 -0.1603 0.7685 0.077 Uiso 1 1 calc R
C26 C 0.2449(9) -0.1341(5) 0.6124(6) 0.050(2) Uani 1 1 d .
H26 H 0.2842 -0.0721 0.6721 0.060 Uiso 1 1 calc R
S1A S 0.4615(3) 0.53811(18) 0.28361(18) 0.0605(6) Uani 1 1 d .
O1A O 0.4116(8) 0.4342(4) 0.2064(4) 0.0879(19) Uani 1 1 d .
O2A O 0.3627(7) 0.5505(4) 0.3627(4) 0.0782(17) Uani 1 1 d .
O3A O 0.6650(7) 0.5879(4) 0.3258(4) 0.0768(17) Uani 1 1 d .
N1A N -0.2038(11) 0.5416(8) 0.0790(6) 0.082(3) Uani 1 1 d .
C1A C -0.0716(16) 0.6143(7) 0.0803(7) 0.077(3) Uani 1 1 d .
H1A H -0.1092 0.6528 0.0491 0.093 Uiso 1 1 calc R
C2A C -0.1497(13) 0.4903(8) 0.1278(7) 0.084(3) Uani 1 1 d .
H2A H -0.2433 0.4404 0.1296 0.101 Uiso 1 1 calc R
C3A C 0.0358(12) 0.5066(7) 0.1756(6) 0.068(3) Uani 1 1 d .
H3A1 H 0.0662 0.4675 0.2076 0.081 Uiso 1 1 calc R
C4A C 0.1796(11) 0.5833(6) 0.1755(5) 0.046(2) Uani 1 1 d .
C5A C 0.1237(12) 0.6379(7) 0.1258(6) 0.057(2) Uani 1 1 d .
C6A C 0.2568(16) 0.7157(7) 0.1228(6) 0.074(3) Uani 1 1 d .
H6A H 0.2178 0.7519 0.0892 0.089 Uiso 1 1 calc R
C7A C 0.4413(15) 0.7378(7) 0.1688(7) 0.077(3) Uani 1 1 d .
H7A H 0.5310 0.7895 0.1670 0.093 Uiso 1 1 calc R
C8A C 0.4979(12) 0.6843(6) 0.2184(6) 0.061(2) Uani 1 1 d .
H8A H 0.6264 0.7018 0.2508 0.073 Uiso 1 1 calc R
C9A C 0.3763(11) 0.6079(6) 0.2223(5) 0.047(2) Uani 1 1 d .
O1W O 0.348(2) 0.2661(11) 0.0174(11) 0.303(7) Uiso 1 1 d .
C1M C 1.065(4) 0.112(2) -0.076(2) 0.395(15) Uiso 1 1 d .
O1M O 0.890(2) 0.1150(11) 0.0020(12) 0.325(7) Uiso 1 1 d .
O2W O 0.549(3) 0.9182(18) 0.0584(19) 0.501(13) Uiso 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'
Ag Ag -0.8971 1.1015 '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'
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
N11 Ag1 N21 162.9(2) . 1_565
N11 Ag1 O2A 107.7(2) . .
N21 Ag1 O2A 88.9(2) 1_565 .
N11 Ag1 Ag1 90.10(17) . 2_666
N21 Ag1 Ag1 98.46(15) 1_565 2_666
O2A Ag1 Ag1 73.04(12) . 2_666
N1A Ag2 N1A 180.0(6) 2_465 .
O1 C1 C2 121.2(7) . .
O1 C1 C6 121.6(7) . .
C2 C1 C6 117.3(7) . .
C16 C2 C1 114.2(7) . .
C16 C2 C3 126.1(7) . .
C1 C2 C3 119.8(6) . .
C2 C3 C4 112.3(6) . .
C2 C3 H3A 109.2 . .
C4 C3 H3A 109.2 . .
C2 C3 H3B 109.2 . .
C4 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
C5 C4 C3 111.2(6) . .
C5 C4 H4A 109.4 . .
C3 C4 H4A 109.4 . .
C5 C4 H4B 109.4 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 111.4(6) . .
C6 C5 H5A 109.3 . .
C4 C5 H5A 109.3 . .
C6 C5 H5B 109.3 . .
C4 C5 H5B 109.3 . .
H5A C5 H5B 108.0 . .
C26 C6 C5 126.5(7) . .
C26 C6 C1 113.8(7) . .
C5 C6 C1 119.6(7) . .
C13 N11 C12 118.3(7) . .
C13 N11 Ag1 123.5(6) . .
C12 N11 Ag1 118.2(6) . .
C15 C11 C12 117.7(7) . .
C15 C11 C16 126.9(7) . .
C12 C11 C16 115.5(7) . .
N11 C12 C11 123.1(7) . .
N11 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
N11 C13 C14 122.4(8) . .
N11 C13 H13 118.8 . .
C14 C13 H13 118.8 . .
C15 C14 C13 118.7(8) . .
C15 C14 H14 120.7 . .
C13 C14 H14 120.7 . .
C11 C15 C14 119.9(8) . .
C11 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C2 C16 C11 130.9(7) . .
C2 C16 H16 114.5 . .
C11 C16 H16 114.5 . .
C23 N21 C22 120.3(7) . .
C23 N21 Ag1 118.3(6) . 1_545
C22 N21 Ag1 121.2(6) . 1_545
C22 C21 C25 116.9(7) . .
C22 C21 C26 123.9(8) . .
C25 C21 C26 119.0(8) . .
N21 C22 C21 122.6(7) . .
N21 C22 H22 118.7 . .
C21 C22 H22 118.7 . .
N21 C23 C24 120.9(8) . .
N21 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C25 C24 C23 119.9(8) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C21 119.3(8) . .
C24 C25 H25 120.3 . .
C21 C25 H25 120.3 . .
C6 C26 C21 129.2(7) . .
C6 C26 H26 115.4 . .
C21 C26 H26 115.4 . .
O1A S1A O3A 114.6(4) . .
O1A S1A O2A 112.7(4) . .
O3A S1A O2A 112.2(3) . .
O1A S1A C9A 105.8(3) . .
O3A S1A C9A 105.1(4) . .
O2A S1A C9A 105.5(3) . .
S1A O2A Ag1 138.6(3) . .
C1A N1A C2A 117.4(9) . .
C1A N1A Ag2 123.4(8) . .
C2A N1A Ag2 119.2(8) . .
N1A C1A C5A 124.1(9) . .
N1A C1A H1A 117.9 . .
C5A C1A H1A 117.9 . .
C3A C2A N1A 124.0(9) . .
C3A C2A H2A 118.0 . .
N1A C2A H2A 118.0 . .
C2A C3A C4A 119.0(8) . .
C2A C3A H3A1 120.5 . .
C4A C3A H3A1 120.5 . .
C5A C4A C9A 118.1(7) . .
C5A C4A C3A 117.3(8) . .
C9A C4A C3A 124.7(7) . .
C4A C5A C6A 120.9(8) . .
C4A C5A C1A 118.1(9) . .
C6A C5A C1A 120.9(8) . .
C7A C6A C5A 119.5(8) . .
C7A C6A H6A 120.2 . .
C5A C6A H6A 120.2 . .
C6A C7A C8A 119.9(9) . .
C6A C7A H7A 120.0 . .
C8A C7A H7A 120.0 . .
C9A C8A C7A 123.0(8) . .
C9A C8A H8A 118.5 . .
C7A C8A H8A 118.5 . .
C8A C9A C4A 118.5(7) . .
C8A C9A S1A 120.4(6) . .
C4A C9A S1A 121.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N11 2.135(6) .
Ag1 N21 2.156(6) 1_565
Ag1 O2A 2.570(5) .
Ag1 Ag1 3.1351(13) 2_666
Ag2 N1A 2.157(7) 2_465
Ag2 N1A 2.157(7) .
O1 C1 1.228(8) .
C1 C2 1.496(10) .
C1 C6 1.517(9) .
C2 C16 1.344(8) .
C2 C3 1.513(10) .
C3 C4 1.500(9) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.513(9) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.494(10) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C26 1.342(9) .
N11 C13 1.332(9) .
N11 C12 1.330(8) .
C11 C15 1.376(10) .
C11 C12 1.404(9) .
C11 C16 1.468(9) .
C12 H12 0.9300 .
C13 C14 1.399(10) .
C13 H13 0.9300 .
C14 C15 1.368(10) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 H16 0.9300 .
N21 C23 1.320(9) .
N21 C22 1.326(8) .
N21 Ag1 2.156(6) 1_545
C21 C22 1.400(10) .
C21 C25 1.392(10) .
C21 C26 1.472(9) .
C22 H22 0.9300 .
C23 C24 1.384(11) .
C23 H23 0.9300 .
C24 C25 1.374(10) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 H26 0.9300 .
S1A O1A 1.424(6) .
S1A O3A 1.453(5) .
S1A O2A 1.458(5) .
S1A C9A 1.781(7) .
N1A C1A 1.308(10) .
N1A C2A 1.325(11) .
C1A C5A 1.407(11) .
C1A H1A 0.9300 .
C2A C3A 1.370(11) .
C2A H2A 0.9300 .
C3A C4A 1.409(9) .
C3A H3A1 0.9300 .
C4A C5A 1.385(9) .
C4A C9A 1.418(9) .
C5A C6A 1.394(10) .
C6A C7A 1.339(10) .
C6A H6A 0.9300 .
C7A C8A 1.371(10) .
C7A H7A 0.9300 .
C8A C9A 1.341(9) .
C8A H8A 0.9300 .
C1M O1M 1.87(3) .
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
O1 C1 C2 C16 0.3(10) .
C6 C1 C2 C16 -177.9(6) .
O1 C1 C2 C3 -179.3(7) .
C6 C1 C2 C3 2.6(9) .
C16 C2 C3 C4 -153.9(6) .
C1 C2 C3 C4 25.6(9) .
C2 C3 C4 C5 -56.7(8) .
C3 C4 C5 C6 59.1(8) .
C4 C5 C6 C26 147.3(7) .
C4 C5 C6 C1 -30.3(9) .
O1 C1 C6 C26 4.0(10) .
C2 C1 C6 C26 -177.8(6) .
O1 C1 C6 C5 -178.1(7) .
C2 C1 C6 C5 0.0(9) .
N21 Ag1 N11 C13 150.0(7) 1_565
O2A Ag1 N11 C13 -17.3(7) .
Ag1 Ag1 N11 C13 -89.5(6) 2_666
N21 Ag1 N11 C12 -27.2(11) 1_565
O2A Ag1 N11 C12 165.5(5) .
Ag1 Ag1 N11 C12 93.3(5) 2_666
C13 N11 C12 C11 -1.3(11) .
Ag1 N11 C12 C11 176.0(5) .
C15 C11 C12 N11 0.8(11) .
C16 C11 C12 N11 179.2(6) .
C12 N11 C13 C14 0.7(12) .
Ag1 N11 C13 C14 -176.6(5) .
N11 C13 C14 C15 0.5(13) .
C12 C11 C15 C14 0.3(11) .
C16 C11 C15 C14 -177.8(7) .
C13 C14 C15 C11 -1.0(12) .
C1 C2 C16 C11 179.8(6) .
C3 C2 C16 C11 -0.7(12) .
C15 C11 C16 C2 -23.3(12) .
C12 C11 C16 C2 158.5(7) .
C23 N21 C22 C21 0.7(11) .
Ag1 N21 C22 C21 -175.1(5) 1_545
C25 C21 C22 N21 2.0(11) .
C26 C21 C22 N21 176.9(6) .
C22 N21 C23 C24 -1.5(12) .
Ag1 N21 C23 C24 174.4(6) 1_545
N21 C23 C24 C25 -0.4(13) .
C23 C24 C25 C21 3.1(12) .
C22 C21 C25 C24 -3.8(11) .
C26 C21 C25 C24 -178.9(7) .
C5 C6 C26 C21 5.4(12) .
C1 C6 C26 C21 -176.9(6) .
C22 C21 C26 C6 27.5(12) .
C25 C21 C26 C6 -157.7(7) .
O1A S1A O2A Ag1 44.2(6) .
O3A S1A O2A Ag1 -86.9(5) .
C9A S1A O2A Ag1 159.2(4) .
N11 Ag1 O2A S1A -21.1(6) .
N21 Ag1 O2A S1A 162.6(5) 1_565
Ag1 Ag1 O2A S1A 63.4(5) 2_666
N1A Ag2 N1A C1A 154(100) 2_465
N1A Ag2 N1A C2A -25(100) 2_465
C2A N1A C1A C5A 3.1(14) .
Ag2 N1A C1A C5A -175.7(6) .
C1A N1A C2A C3A -2.5(14) .
Ag2 N1A C2A C3A 176.3(6) .
N1A C2A C3A C4A 1.2(14) .
C2A C3A C4A C5A -0.4(12) .
C2A C3A C4A C9A 179.8(7) .
C9A C4A C5A C6A -0.8(12) .
C3A C4A C5A C6A 179.4(7) .
C9A C4A C5A C1A -179.3(7) .
C3A C4A C5A C1A 0.9(11) .
N1A C1A C5A C4A -2.4(14) .
N1A C1A C5A C6A 179.1(9) .
C4A C5A C6A C7A 0.0(13) .
C1A C5A C6A C7A 178.5(8) .
C5A C6A C7A C8A -0.2(14) .
C6A C7A C8A C9A 1.1(14) .
C7A C8A C9A C4A -1.9(12) .
C7A C8A C9A S1A 177.3(7) .
C5A C4A C9A C8A 1.6(11) .
C3A C4A C9A C8A -178.6(7) .
C5A C4A C9A S1A -177.5(6) .
C3A C4A C9A S1A 2.2(11) .
O1A S1A C9A C8A -118.2(7) .
O3A S1A C9A C8A 3.5(7) .
O2A S1A C9A C8A 122.2(6) .
O1A S1A C9A C4A 61.0(7) .
O3A S1A C9A C4A -177.3(6) .
O2A S1A C9A C4A -58.6(7) .
