#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:07:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180026 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/20/7032065.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_7032065
loop_
_publ_author_name
'Zhang, Jianyong'
'Yang, Qiuli'
'Zhu, Yixuan'
'Liu, Haoliang'
'Chi, Zhenguo'
'Su, Cheng-Yong'
_publ_section_title
;
 Tetraphenylethylene-based phosphine: tuneable emission and carbon dioxide
 fixation.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15785
_journal_page_last               15790
_journal_paper_doi               10.1039/c4dt01808g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C75 H56 Ag2 O9.22 P4'
_chemical_formula_weight         1444.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   36.6284(4)
_cell_length_b                   36.6284(4)
_cell_length_c                   27.5127(5)
_cell_measurement_reflns_used    15108
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      1.00000
_cell_measurement_theta_min      0.09663
_cell_volume                     31966.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            38595
_diffrn_reflns_theta_full        74.01
_diffrn_reflns_theta_max         74.01
_diffrn_reflns_theta_min         3.50
_exptl_absorpt_coefficient_mu    5.715
_exptl_absorpt_correction_T_max  0.8943
_exptl_absorpt_correction_T_min  0.4810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             13208
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene-acetonitrile'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.881
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.357
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.357
_refine_ls_R_factor_all          0.1345
_refine_ls_R_factor_gt           0.1076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3131
_refine_ls_wR_factor_ref         0.3455
_reflns_number_gt                5051
_reflns_number_total             7131
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01808g2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7032065.cif.'
_cod_original_cell_volume        31966.8(7)
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               7032065
#BEGIN Tags that were not found in dictionaries:
_diffrn_reflns_av_unetli/neti    0.0295
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'
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 0.07568(2) 0.20254(2) 0.68607(3) 0.0741(3) Uani 1 1 d .
P1 P 0.11563(5) 0.25126(6) 0.75162(8) 0.0577(5) Uani 1 1 d .
P2 P 0.39632(5) 0.51993(5) 0.76650(8) 0.0568(5) Uani 1 1 d .
C1 C 0.3075(3) 0.3275(3) 0.7439(10) 0.162(10) Uani 1 1 d .
C2 C 0.2602(2) 0.3061(2) 0.7499(5) 0.087(3) Uani 1 1 d .
C3 C 0.2360(3) 0.2926(4) 0.7073(6) 0.103(4) Uani 1 1 d .
H3A H 0.2496 0.2948 0.6772 0.124 Uiso 1 1 calc R
C4 C 0.1930(3) 0.2763(3) 0.7078(4) 0.077(2) Uani 1 1 d .
H4A H 0.1775 0.2680 0.6783 0.093 Uiso 1 1 calc R
C5 C 0.1720(2) 0.2717(2) 0.7525(3) 0.0560(16) Uani 1 1 d .
C6 C 0.1954(2) 0.2831(3) 0.7938(4) 0.074(2) Uani 1 1 d .
H6A H 0.1822 0.2794 0.8246 0.088 Uiso 1 1 calc R
C7 C 0.2399(3) 0.3007(3) 0.7909(5) 0.083(3) Uani 1 1 d .
H7A H 0.2557 0.3088 0.8202 0.100 Uiso 1 1 calc R
C8 C 0.3287(2) 0.3747(3) 0.7498(5) 0.084(3) Uani 1 1 d .
C9 C 0.3404(4) 0.3994(3) 0.7094(6) 0.103(4) Uani 1 1 d .
H9A H 0.3357 0.3871 0.6780 0.123 Uiso 1 1 calc R
C10 C 0.3597(4) 0.4436(3) 0.7147(4) 0.088(3) Uani 1 1 d .
H10A H 0.3665 0.4603 0.6861 0.106 Uiso 1 1 calc R
C11 C 0.3690(2) 0.4633(2) 0.7583(3) 0.0602(19) Uani 1 1 d .
C12 C 0.3562(4) 0.4389(3) 0.7985(4) 0.103(4) Uani 1 1 d .
H12A H 0.3605 0.4518 0.8295 0.124 Uiso 1 1 calc R
C13 C 0.3367(5) 0.3954(3) 0.7953(6) 0.117(5) Uani 1 1 d .
H13A H 0.3287 0.3791 0.8242 0.141 Uiso 1 1 calc R
C14 C 0.1105(2) 0.2975(3) 0.7472(3) 0.0610(18) Uani 1 1 d .
C15 C 0.0701(3) 0.2926(3) 0.7471(5) 0.087(3) Uani 1 1 d .
H15A H 0.0460 0.2653 0.7507 0.104 Uiso 1 1 calc R
C16 C 0.0651(4) 0.3277(4) 0.7418(5) 0.099(4) Uani 1 1 d .
H16A H 0.0375 0.3240 0.7401 0.119 Uiso 1 1 calc R
C17 C 0.0987(3) 0.3668(3) 0.7389(4) 0.083(3) Uani 1 1 d .
H17A H 0.0948 0.3905 0.7357 0.100 Uiso 1 1 calc R
C18 C 0.1387(3) 0.3724(3) 0.7405(4) 0.082(3) Uani 1 1 d .
H18A H 0.1624 0.4001 0.7389 0.099 Uiso 1 1 calc R
C19 C 0.1446(2) 0.3388(2) 0.7443(3) 0.0648(19) Uani 1 1 d .
H19A H 0.1725 0.3433 0.7451 0.078 Uiso 1 1 calc R
C20 C 0.0990(2) 0.2330(2) 0.8130(3) 0.0588(17) Uani 1 1 d .
C21 C 0.0925(3) 0.1925(3) 0.8240(4) 0.079(3) Uani 1 1 d .
H21A H 0.0954 0.1755 0.8001 0.095 Uiso 1 1 calc R
C22 C 0.0812(4) 0.1786(4) 0.8729(5) 0.094(3) Uani 1 1 d .
H22A H 0.0765 0.1515 0.8815 0.113 Uiso 1 1 calc R
C23 C 0.0767(3) 0.2022(4) 0.9077(4) 0.084(3) Uani 1 1 d .
H23A H 0.0701 0.1920 0.9400 0.101 Uiso 1 1 calc R
C24 C 0.0819(3) 0.2410(4) 0.8963(4) 0.083(3) Uani 1 1 d .
H24A H 0.0777 0.2573 0.9202 0.099 Uiso 1 1 calc R
C25 C 0.0936(3) 0.2565(3) 0.8481(3) 0.070(2) Uani 1 1 d .
H25A H 0.0978 0.2836 0.8401 0.084 Uiso 1 1 calc R
C26 C 0.3692(3) 0.5381(3) 0.7255(5) 0.077(3) Uani 1 1 d .
C27 C 0.3697(3) 0.5343(3) 0.6766(5) 0.085(3) Uani 1 1 d .
H27A H 0.3856 0.5234 0.6617 0.102 Uiso 1 1 calc R
C28 C 0.3461(4) 0.5467(4) 0.6487(6) 0.112(5) Uani 1 1 d .
H28A H 0.3455 0.5432 0.6144 0.135 Uiso 1 1 calc R
C29 C 0.3249(3) 0.5629(4) 0.6672(7) 0.105(5) Uani 1 1 d .
H29A H 0.3097 0.5714 0.6465 0.126 Uiso 1 1 calc R
C30 C 0.3242(4) 0.5678(5) 0.7152(8) 0.129(6) Uani 1 1 d .
H30A H 0.3084 0.5795 0.7288 0.155 Uiso 1 1 calc R
C31 C 0.3475(3) 0.5554(3) 0.7460(6) 0.096(3) Uani 1 1 d .
H31 H 0.3479 0.5591 0.7802 0.116 Uiso 1 1 calc R
C32 C 0.4461(2) 0.5396(2) 0.7357(3) 0.0597(17) Uani 1 1 d .
C33 C 0.4616(3) 0.5149(4) 0.7212(5) 0.098(4) Uani 1 1 d .
H33A H 0.4452 0.4852 0.7253 0.118 Uiso 1 1 calc R
C34 C 0.5024(4) 0.5328(5) 0.6999(6) 0.122(5) Uani 1 1 d .
H34A H 0.5126 0.5151 0.6884 0.146 Uiso 1 1 calc R
C35 C 0.5266(3) 0.5755(5) 0.6961(6) 0.117(5) Uani 1 1 d .
H35A H 0.5553 0.5881 0.6864 0.140 Uiso 1 1 calc R
C36 C 0.5091(4) 0.6002(4) 0.7064(8) 0.148(8) Uani 1 1 d .
H36A H 0.5238 0.6294 0.6985 0.178 Uiso 1 1 calc R
C37 C 0.4695(4) 0.5821(3) 0.7285(8) 0.136(7) Uani 1 1 d .
H37A H 0.4586 0.5996 0.7387 0.163 Uiso 1 1 calc R
C38 C 0.0000 0.1435(3) 0.7500 0.063(3) Uani 1 2 d S
O1 O 0.0248(2) 0.1371(2) 0.7232(3) 0.102(3) Uani 1 1 d .
O2 O 0.0000 0.1768(3) 0.7500 0.078(2) Uani 1 2 d S
O2S O 0.9920(8) 0.0565(7) 0.6910(16) 0.40(2) Uani 1 1 d .
O3S O 0.9969(5) 0.3615(4) 0.7211(7) 0.192(8) Uani 1 1 d .
O1S O 0.0000 0.0000 0.7500 0.16(2) Uani 0.60 6 d SP
O5S O 0.1436(15) 0.1595(10) 0.693(2) 0.66(6) 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 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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 Ag1 P1 107.3(2) . .
O1 Ag1 P2 115.0(2) . 29_455
P1 Ag1 P2 135.31(7) . 29_455
C14 P1 C20 103.8(4) . .
C14 P1 C5 104.2(3) . .
C20 P1 C5 104.1(4) . .
C14 P1 Ag1 109.4(3) . .
C20 P1 Ag1 116.8(3) . .
C5 P1 Ag1 117.1(3) . .
C32 P2 C11 105.6(4) . .
C32 P2 C26 100.9(4) . .
C11 P2 C26 104.5(4) . .
C32 P2 Ag1 109.4(3) . 35
C11 P2 Ag1 112.0(3) . 35
C26 P2 Ag1 122.9(4) . 35
C1 C1 C8 120.1(11) 6_556 .
C1 C1 C2 119.9(11) 6_556 .
C8 C1 C2 112.4(8) . .
C7 C2 C3 117.1(8) . .
C7 C2 C1 126.1(15) . .
C3 C2 C1 116.7(14) . .
C4 C3 C2 121.8(11) . .
C4 C3 H3A 119.1 . .
C2 C3 H3A 119.1 . .
C3 C4 C5 119.7(11) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
C6 C5 C4 118.1(8) . .
C6 C5 P1 123.5(6) . .
C4 C5 P1 118.4(7) . .
C5 C6 C7 119.6(10) . .
C5 C6 H6A 120.2 . .
C7 C6 H6A 120.2 . .
C2 C7 C6 123.5(10) . .
C2 C7 H7A 118.2 . .
C6 C7 H7A 118.2 . .
C9 C8 C13 117.1(8) . .
C9 C8 C1 119.0(14) . .
C13 C8 C1 123.9(14) . .
C8 C9 C10 119.2(12) . .
C8 C9 H9A 120.4 . .
C10 C9 H9A 120.4 . .
C11 C10 C9 123.4(11) . .
C11 C10 H10A 118.3 . .
C9 C10 H10A 118.3 . .
C12 C11 C10 117.5(8) . .
C12 C11 P2 117.8(8) . .
C10 C11 P2 124.7(7) . .
C11 C12 C13 121.1(11) . .
C11 C12 H12A 119.4 . .
C13 C12 H12A 119.4 . .
C12 C13 C8 121.4(11) . .
C12 C13 H13A 119.3 . .
C8 C13 H13A 119.3 . .
C15 C14 C19 117.0(8) . .
C15 C14 P1 118.7(7) . .
C19 C14 P1 124.3(6) . .
C16 C15 C14 119.9(9) . .
C16 C15 H15A 120.0 . .
C14 C15 H15A 120.0 . .
C17 C16 C15 121.2(9) . .
C17 C16 H16A 119.4 . .
C15 C16 H16A 119.4 . .
C16 C17 C18 119.7(9) . .
C16 C17 H17A 120.2 . .
C18 C17 H17A 120.2 . .
C19 C18 C17 120.6(9) . .
C19 C18 H18A 119.7 . .
C17 C18 H18A 119.7 . .
C18 C19 C14 121.5(8) . .
C18 C19 H19A 119.2 . .
C14 C19 H19A 119.2 . .
C25 C20 C21 120.3(8) . .
C25 C20 P1 123.6(6) . .
C21 C20 P1 116.1(7) . .
C20 C21 C22 116.6(11) . .
C20 C21 H21A 121.7 . .
C22 C21 H21A 121.7 . .
C23 C22 C21 123.0(10) . .
C23 C22 H22A 118.5 . .
C21 C22 H22A 118.5 . .
C22 C23 C24 120.2(10) . .
C22 C23 H23A 119.9 . .
C24 C23 H23A 119.9 . .
C23 C24 C25 119.0(11) . .
C23 C24 H24A 120.5 . .
C25 C24 H24A 120.5 . .
C20 C25 C24 121.0(9) . .
C20 C25 H25A 119.5 . .
C24 C25 H25A 119.5 . .
C27 C26 C31 119.9(11) . .
C27 C26 P2 122.5(8) . .
C31 C26 P2 117.6(10) . .
C26 C27 C28 118.3(13) . .
C26 C27 H27A 120.9 . .
C28 C27 H27A 120.9 . .
C29 C28 C27 123.1(16) . .
C29 C28 H28A 118.5 . .
C27 C28 H28A 118.5 . .
C28 C29 C30 120.4(13) . .
C28 C29 H29A 119.8 . .
C30 C29 H29A 119.8 . .
C29 C30 C31 119.4(15) . .
C29 C30 H30A 120.3 . .
C31 C30 H30A 120.3 . .
C26 C31 C30 118.9(15) . .
C26 C31 H31 120.5 . .
C30 C31 H31 120.5 . .
C33 C32 C37 119.4(9) . .
C33 C32 P2 123.5(7) . .
C37 C32 P2 117.1(8) . .
C32 C33 C34 120.7(11) . .
C32 C33 H33A 119.7 . .
C34 C33 H33A 119.7 . .
C35 C34 C33 119.4(14) . .
C35 C34 H34A 120.3 . .
C33 C34 H34A 120.3 . .
C34 C35 C36 119.3(10) . .
C34 C35 H35A 120.3 . .
C36 C35 H35A 120.3 . .
C35 C36 C37 119.5(13) . .
C35 C36 H36A 120.3 . .
C37 C36 H36A 120.3 . .
C32 C37 C36 121.0(13) . .
C32 C37 H37A 119.5 . .
C36 C37 H37A 119.5 . .
O2 C38 O1 122.6(6) . 5_556
O2 C38 O1 122.6(6) . .
O1 C38 O1 114.9(12) 5_556 .
C38 O1 Ag1 109.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O1 2.407(7) .
Ag1 P1 2.443(2) .
Ag1 P2 2.457(2) 29_455
P1 C14 1.799(8) .
P1 C20 1.805(8) .
P1 C5 1.812(7) .
P2 C32 1.804(8) .
P2 C11 1.811(7) .
P2 C26 1.834(9) .
P2 Ag1 2.457(2) 35
C1 C1 1.31(2) 6_556
C1 C8 1.510(12) .
C1 C2 1.512(11) .
C2 C7 1.308(17) .
C2 C3 1.40(2) .
C3 C4 1.376(14) .
C3 H3A 0.9500 .
C4 C5 1.415(13) .
C4 H4A 0.9500 .
C5 C6 1.357(13) .
C6 C7 1.425(11) .
C6 H6A 0.9500 .
C7 H7A 0.9500 .
C8 C9 1.359(19) .
C8 C13 1.42(2) .
C9 C10 1.413(13) .
C9 H9A 0.9500 .
C10 C11 1.354(14) .
C10 H10A 0.9500 .
C11 C12 1.349(13) .
C12 C13 1.386(15) .
C12 H12A 0.9500 .
C13 H13A 0.9500 .
C14 C15 1.400(11) .
C14 C19 1.401(11) .
C15 C16 1.394(15) .
C15 H15A 0.9500 .
C16 C17 1.345(15) .
C16 H16A 0.9500 .
C17 C18 1.377(14) .
C17 H17A 0.9500 .
C18 C19 1.358(12) .
C18 H18A 0.9500 .
C19 H19A 0.9500 .
C20 C25 1.375(13) .
C20 C21 1.410(12) .
C21 C22 1.424(16) .
C21 H21A 0.9500 .
C22 C23 1.353(18) .
C22 H22A 0.9500 .
C23 C24 1.373(16) .
C23 H23A 0.9500 .
C24 C25 1.420(14) .
C24 H24A 0.9500 .
C25 H25A 0.9500 .
C26 C27 1.355(16) .
C26 C31 1.360(16) .
C27 C28 1.391(16) .
C27 H27A 0.9500 .
C28 C29 1.29(2) .
C28 H28A 0.9500 .
C29 C30 1.33(2) .
C29 H29A 0.9500 .
C30 C31 1.429(18) .
C30 H30A 0.9500 .
C31 H31 0.9500 .
C32 C33 1.345(14) .
C32 C37 1.366(13) .
C33 C34 1.424(15) .
C33 H33A 0.9500 .
C34 C35 1.36(2) .
C34 H34A 0.9500 .
C35 C36 1.38(2) .
C35 H35A 0.9500 .
C36 C37 1.396(17) .
C36 H36A 0.9500 .
C37 H37A 0.9500 .
C38 O2 1.221(15) .
C38 O1 1.279(10) 5_556
C38 O1 1.279(10) .
O3S O3S 1.60(4) 5_766
