#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/4/4300855.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_4300855
_journal_name_full  'Inorganic Chemistry'
_journal_year      2005
_chemical_formula_sum  'C47 H30 Ag2 F6 N6 O12 S2'
_chemical_formula_weight  1264.63
_symmetry_cell_setting  Monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
_cell_length_a  12.702(3)
_cell_length_b  26.118(7)
_cell_length_c  13.998(4)
_cell_angle_alpha  90.00
_cell_angle_beta  96.063(4)
_cell_angle_gamma  90.00
_cell_volume  4618(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.819
_diffrn_ambient_temperature  293(2)
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
Ag1 Ag 0.05766(4) 0.828699(14) 0.92435(3) 0.05708(15) Uani 1 1 d . . .
Ag2 Ag 0.00898(4) 0.565665(16) 0.84781(3) 0.05963(15) Uani 1 1 d . . .
S1 S 0.36213(14) 0.83818(8) 0.94434(17) 0.0913(6) Uani 1 1 d . . .
N5 N -0.1188(3) 0.67082(15) 0.7696(3) 0.0474(10) Uani 1 1 d . . .
H5 H -0.1692 0.6496 0.7765 0.057 Uiso 1 1 calc R . .
C3 C -0.0173(3) 0.71504(16) 1.0022(3) 0.0370(9) Uani 1 1 d . . .
N4 N 0.0639(3) 0.74550(13) 0.9914(3) 0.0376(8) Uani 1 1 d . . .
N1 N 0.1602(3) 0.72363(14) 0.9921(3) 0.0432(9) Uani 1 1 d . . .
H1 H 0.2127 0.7438 0.9866 0.052 Uiso 1 1 calc R . .
N8 N -0.0272(3) 0.50958(14) 0.7220(3) 0.0419(9) Uani 1 1 d . . .
C7 C -0.0053(4) 0.66123(16) 1.0097(3) 0.0380(10) Uani 1 1 d . . .
O7 O -0.1174(3) 0.79163(13) 1.0196(3) 0.0602(10) Uani 1 1 d . . .
N3 N -0.0201(3) 0.65068(15) 0.7683(3) 0.0439(9) Uani 1 1 d . . .
N2 N -0.1205(3) 0.51977(14) 0.6693(3) 0.0450(9) Uani 1 1 d . . .
H2 H -0.1607 0.5420 0.6926 0.054 Uiso 1 1 calc R . .
O10 O -0.2858(3) 0.56620(14) 0.5688(3) 0.0653(11) Uani 1 1 d . . .
C12 C 0.0577(4) 0.68323(19) 0.7575(3) 0.0447(11) Uani 1 1 d . . .
C13 C -0.0974(4) 0.46114(16) 0.5484(3) 0.0411(10) Uani 1 1 d . . .
C14 C -0.1454(4) 0.72042(19) 0.7612(3) 0.0475(11) Uani 1 1 d . . .
C15 C 0.0993(4) 0.64029(17) 1.0075(3) 0.0401(10) Uani 1 1 d . . .
O8 O 0.1776(3) 0.61122(16) 0.7798(3) 0.0667(10) Uani 1 1 d . . .
C17 C -0.1566(4) 0.49884(17) 0.5847(3) 0.0420(10) Uani 1 1 d . . .
C18 C 0.0344(3) 0.47380(16) 0.6881(3) 0.0393(10) Uani 1 1 d . . .
C19 C -0.1194(4) 0.74017(16) 1.0047(3) 0.0381(10) Uani 1 1 d . . .
C20 C 0.1612(4) 0.6605(2) 0.7499(4) 0.0512(12) Uani 1 1 d . . .
C21 C 0.1821(4) 0.67366(18) 1.0004(3) 0.0449(11) Uani 1 1 d . . .
C22 C 0.1359(4) 0.46455(18) 0.7427(4) 0.0463(11) Uani 1 1 d . . .
C23 C 0.0443(6) 0.8221(2) 0.7457(4) 0.0707(17) Uani 1 1 d . . .
H23 H 0.0616 0.8519 0.7078 0.085 Uiso 1 1 calc R . .
C24 C -0.0476(4) 0.90865(17) 0.9493(4) 0.0464(11) Uani 1 1 d . . .
H24 H -0.1245 0.9070 0.9509 0.056 Uiso 1 1 calc R . .
C25 C 0.0414(4) 0.73621(19) 0.7514(3) 0.0488(12) Uani 1 1 d . . .
C26 C 0.0020(4) 0.44748(16) 0.6026(3) 0.0405(10) Uani 1 1 d . . .
O4 O 0.2633(3) 0.81281(16) 0.9496(3) 0.0759(12) Uani 1 1 d . . .
C28 C 0.0212(4) 0.90029(18) 1.0327(4) 0.0528(13) Uani 1 1 d . . .
H28 H -0.0084 0.8927 1.0930 0.063 Uiso 1 1 calc R . .
C29 C -0.2200(4) 0.7238(2) 0.9973(4) 0.0602(14) Uani 1 1 d . . .
H29 H -0.2430 0.6902 0.9882 0.072 Uiso 1 1 calc R . .
O11 O 0.1559(3) 0.48704(18) 0.8299(3) 0.0738(12) Uani 1 1 d . . .
C32 C -0.0592(6) 0.8091(2) 0.7498(4) 0.0657(16) Uani 1 1 d . . .
H32 H -0.1157 0.8318 0.7495 0.079 Uiso 1 1 calc R . .
C33 C 0.0899(5) 0.58648(18) 1.0123(4) 0.0550(13) Uani 1 1 d . . .
H33 H 0.1465 0.5654 1.0449 0.066 Uiso 1 1 calc R . .
C34 C -0.2570(5) 0.7315(2) 0.7577(4) 0.0633(15) Uani 1 1 d . . .
C35 C 0.2928(4) 0.6599(2) 1.0010(4) 0.0566(14) Uani 1 1 d . . .
C36 C -0.0653(4) 0.75568(19) 0.7545(3) 0.0503(12) Uani 1 1 d . . .
C37 C -0.2559(4) 0.51898(19) 0.5395(4) 0.0543(13) Uani 1 1 d . . .
C38 C -0.0165(5) 0.57574(19) 1.0198(4) 0.0557(13) Uani 1 1 d . . .
H38 H -0.0364 0.5463 1.0574 0.067 Uiso 1 1 calc R . .
C39 C -0.1090(4) 0.43161(19) 0.4654(4) 0.0545(13) Uani 1 1 d . . .
H39 H -0.1655 0.4327 0.4174 0.065 Uiso 1 1 calc R . .
F2 F 0.4441(4) 0.88470(19) 0.8071(4) 0.1207(17) Uani 1 1 d . . .
C41 C -0.3302(5) 0.5013(2) 0.4707(5) 0.0785(19) Uani 1 1 d . . .
H41 H -0.3286 0.4704 0.4378 0.094 Uiso 1 1 calc R . .
C42 C -0.0753(4) 0.62102(18) 1.0183(4) 0.0491(12) Uani 1 1 d . . .
H42 H -0.1477 0.6237 1.0223 0.059 Uiso 1 1 calc R . .
C43 C -0.2843(5) 0.7670(2) 1.0058(5) 0.0687(16) Uani 1 1 d . . .
H43 H -0.3578 0.7677 1.0022 0.082 Uiso 1 1 calc R . .
C44 C -0.3810(5) 0.5766(3) 0.5168(6) 0.0762(19) Uani 1 1 d . . .
H44 H -0.4197 0.6065 0.5219 0.091 Uiso 1 1 calc R . .
C45 C 0.3572(6) 0.8612(4) 0.8236(7) 0.099(3) Uani 1 1 d . . .
O9 O -0.2887(4) 0.7804(2) 0.7501(5) 0.1105(19) Uani 1 1 d . . .
C47 C -0.2196(5) 0.8065(2) 1.0199(5) 0.0727(18) Uani 1 1 d . . .
H47 H -0.2413 0.8400 1.0289 0.087 Uiso 1 1 calc R . .
C48 C 0.1076(5) 0.7784(2) 0.7464(4) 0.0639(15) Uani 1 1 d . . .
H48 H 0.1804 0.7777 0.7441 0.077 Uiso 1 1 calc R . .
O12 O 0.3299(4) 0.6124(2) 1.0139(4) 0.1048(17) Uani 1 1 d . . .
C50 C -0.3378(6) 0.7012(3) 0.7618(6) 0.088(2) Uani 1 1 d . . .
H50 H -0.3362 0.6658 0.7683 0.106 Uiso 1 1 calc R . .
C51 C 0.2777(5) 0.5982(3) 0.7622(5) 0.0748(18) Uani 1 1 d . . .
H51 H 0.3103 0.5670 0.7777 0.090 Uiso 1 1 calc R . .
C52 C 0.2204(5) 0.4380(3) 0.7241(5) 0.080(2) Uani 1 1 d . . .
H52 H 0.2284 0.4196 0.6685 0.096 Uiso 1 1 calc R . .
F3 F 0.3531(5) 0.8198(3) 0.7655(5) 0.175(3) Uani 1 1 d . . .
C55 C 0.3667(5) 0.6902(3) 0.9853(6) 0.086(2) Uani 1 1 d . . .
H55 H 0.3590 0.7250 0.9725 0.103 Uiso 1 1 calc R . .
C56 C -0.4097(5) 0.5385(3) 0.4588(6) 0.089(2) Uani 1 1 d . . .
H56 H -0.4718 0.5365 0.4173 0.106 Uiso 1 1 calc R . .
C57 C -0.4294(7) 0.7333(5) 0.7545(8) 0.128(4) Uani 1 1 d . . .
H57 H -0.4992 0.7230 0.7564 0.154 Uiso 1 1 calc R . .
F1 F 0.2748(5) 0.8879(3) 0.7985(6) 0.178(3) Uani 1 1 d . . .
C59 C 0.2465(5) 0.6763(3) 0.7101(6) 0.093(2) Uani 1 1 d . . .
H59 H 0.2546 0.7079 0.6812 0.111 Uiso 1 1 calc R . .
C60 C 0.3213(5) 0.6369(3) 0.7197(6) 0.093(2) Uani 1 1 d . . .
H60 H 0.3890 0.6378 0.6999 0.112 Uiso 1 1 calc R . .
S3 S 0.71075(10) 0.94236(5) 0.36293(11) 0.0553(3) Uani 1 1 d . . .
O3 O 0.7678(3) 0.91962(14) 0.2902(3) 0.0629(10) Uani 1 1 d . . .
O1 O 0.6719(3) 0.90565(18) 0.4258(3) 0.0791(13) Uani 1 1 d . . .
O2 O 0.7616(4) 0.98616(17) 0.4061(4) 0.0912(14) Uani 1 1 d . . .
F6 F 0.6193(4) 1.00189(19) 0.2316(4) 0.1171(16) Uani 1 1 d . . .
F5 F 0.5395(4) 0.9326(2) 0.2476(5) 0.145(2) Uani 1 1 d . . .
F4 F 0.5329(4) 0.9901(3) 0.3516(5) 0.160(3) Uani 1 1 d . . .
C67 C 0.5949(5) 0.9685(3) 0.2951(6) 0.087(2) Uani 1 1 d . . .
C73 C 0.2554(6) 0.4724(3) 0.8660(5) 0.084(2) Uani 1 1 d . . .
H73 H 0.2886 0.4823 0.9255 0.101 Uiso 1 1 calc R . .
C74 C 0.2970(5) 0.4431(3) 0.8066(6) 0.086(2) Uani 1 1 d . . .
H74 H 0.3637 0.4281 0.8154 0.103 Uiso 1 1 calc R . .
O6 O 0.4535(4) 0.8089(3) 0.9602(6) 0.151(3) Uani 1 1 d . . .
O5 O 0.3700(6) 0.8872(3) 0.9943(6) 0.171(4) Uani 1 1 d . . .
C70 C 0.4397(6) 0.6173(4) 1.0078(7) 0.111(3) Uani 1 1 d . . .
H70 H 0.4888 0.5909 1.0157 0.133 Uiso 1 1 calc R . .
C71 C 0.4605(7) 0.6633(5) 0.9901(9) 0.132(4) Uani 1 1 d . . .
H71 H 0.5269 0.6766 0.9818 0.159 Uiso 1 1 calc R . .
C72 C -0.3965(8) 0.7787(4) 0.7450(9) 0.134(4) Uani 1 1 d . . .
H72 H -0.4402 0.8072 0.7358 0.161 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0710(3) 0.0361(2) 0.0660(3) 0.00094(17) 0.0161(2) 0.00059(18)
Ag2 0.0644(3) 0.0510(2) 0.0631(3) -0.01962(19) 0.0053(2) -0.00436(19)
S1 0.0593(10) 0.0974(14) 0.1187(16) 0.0041(12) 0.0169(10) -0.0222(10)
N5 0.048(2) 0.048(2) 0.046(2) -0.0088(18) 0.0037(18) -0.0031(18)
C3 0.043(3) 0.036(2) 0.032(2) -0.0030(17) 0.0005(18) 0.0024(19)
N4 0.037(2) 0.0357(19) 0.041(2) -0.0009(16) 0.0055(16) -0.0001(15)
N1 0.038(2) 0.039(2) 0.053(2) -0.0046(17) 0.0062(17) -0.0011(16)
N8 0.040(2) 0.0345(19) 0.052(2) -0.0034(17) 0.0072(17) 0.0000(16)
C7 0.044(3) 0.036(2) 0.033(2) -0.0047(18) -0.0009(18) -0.0009(18)
O7 0.049(2) 0.0388(18) 0.097(3) 0.0087(18) 0.0264(19) 0.0074(15)
N3 0.041(2) 0.047(2) 0.044(2) -0.0093(18) 0.0044(17) 0.0014(18)
N2 0.038(2) 0.038(2) 0.059(3) -0.0044(18) 0.0074(18) 0.0047(16)
O10 0.051(2) 0.053(2) 0.089(3) 0.003(2) -0.005(2) 0.0090(17)
C12 0.049(3) 0.051(3) 0.034(2) -0.003(2) 0.000(2) -0.005(2)
C13 0.043(3) 0.032(2) 0.048(3) -0.0005(19) 0.005(2) -0.0062(19)
C14 0.056(3) 0.051(3) 0.035(3) 0.001(2) 0.001(2) 0.006(2)
C15 0.044(3) 0.038(2) 0.038(2) -0.0032(19) 0.0009(19) 0.0047(19)
O8 0.054(2) 0.070(3) 0.078(3) 0.001(2) 0.0138(19) 0.0059(19)
C17 0.040(3) 0.036(2) 0.050(3) 0.002(2) 0.002(2) -0.0099(19)
C18 0.039(2) 0.032(2) 0.048(3) 0.0011(19) 0.009(2) 0.0008(18)
C19 0.045(3) 0.035(2) 0.035(2) 0.0007(18) 0.0085(19) 0.0004(19)
C20 0.047(3) 0.061(3) 0.045(3) -0.006(2) -0.001(2) -0.007(2)
C21 0.046(3) 0.046(3) 0.042(3) -0.003(2) 0.000(2) 0.011(2)
C22 0.049(3) 0.038(2) 0.052(3) 0.000(2) 0.004(2) -0.001(2)
C23 0.110(5) 0.048(3) 0.054(4) 0.009(3) 0.007(3) -0.016(3)
C24 0.054(3) 0.035(2) 0.051(3) 0.001(2) 0.013(2) 0.002(2)
C25 0.062(3) 0.050(3) 0.034(3) -0.003(2) -0.001(2) -0.006(2)
C26 0.047(3) 0.028(2) 0.048(3) 0.0032(19) 0.010(2) -0.0035(18)
O4 0.057(2) 0.067(3) 0.106(3) 0.000(2) 0.015(2) -0.015(2)
C28 0.071(4) 0.040(3) 0.050(3) 0.004(2) 0.017(3) 0.007(2)
C29 0.044(3) 0.050(3) 0.086(4) -0.005(3) 0.006(3) 0.002(2)
O11 0.065(3) 0.096(3) 0.058(2) -0.012(2) -0.004(2) 0.005(2)
C32 0.100(5) 0.046(3) 0.052(3) 0.003(3) 0.014(3) 0.009(3)
C33 0.072(4) 0.036(2) 0.056(3) 0.000(2) 0.001(3) 0.019(2)
C34 0.069(4) 0.060(3) 0.062(4) 0.003(3) 0.014(3) 0.017(3)
C35 0.049(3) 0.056(3) 0.063(3) -0.008(3) -0.001(2) 0.017(3)
C36 0.070(4) 0.046(3) 0.034(3) 0.002(2) 0.003(2) 0.002(2)
C37 0.045(3) 0.044(3) 0.073(4) 0.011(3) 0.003(2) -0.002(2)
C38 0.069(4) 0.039(3) 0.059(3) 0.002(2) 0.012(3) -0.002(2)
C39 0.059(3) 0.050(3) 0.054(3) -0.005(2) 0.001(2) -0.013(3)
F2 0.098(3) 0.127(4) 0.144(4) 0.006(3) 0.045(3) -0.044(3)
C41 0.070(4) 0.060(4) 0.099(5) -0.004(3) -0.022(4) -0.004(3)
C42 0.053(3) 0.044(3) 0.052(3) -0.003(2) 0.011(2) -0.004(2)
C43 0.045(3) 0.072(4) 0.091(5) 0.004(3) 0.015(3) 0.011(3)
C44 0.044(3) 0.070(4) 0.112(6) 0.025(4) -0.004(3) 0.013(3)
C45 0.072(5) 0.098(6) 0.131(7) 0.001(5) 0.027(5) -0.030(5)
O9 0.095(4) 0.080(3) 0.162(6) 0.011(3) 0.041(4) 0.026(3)
C47 0.062(4) 0.051(3) 0.110(5) 0.010(3) 0.033(3) 0.020(3)
C48 0.076(4) 0.067(4) 0.047(3) 0.004(3) 0.001(3) -0.024(3)
O12 0.093(4) 0.083(3) 0.139(5) -0.007(3) 0.017(3) 0.021(3)
C50 0.076(5) 0.070(4) 0.120(6) 0.011(4) 0.020(4) 0.003(4)
C51 0.047(3) 0.094(5) 0.083(5) -0.010(4) 0.004(3) 0.013(3)
C52 0.052(4) 0.088(5) 0.097(5) -0.033(4) -0.007(3) 0.022(3)
F3 0.139(5) 0.242(8) 0.152(5) -0.078(5) 0.058(4) -0.091(5)
C55 0.057(4) 0.056(4) 0.149(7) 0.017(4) 0.026(4) -0.001(3)
C56 0.061(4) 0.082(5) 0.115(6) 0.016(4) -0.027(4) -0.005(4)
C57 0.064(5) 0.143(9) 0.180(11) 0.008(8) 0.025(6) 0.000(6)
F1 0.093(4) 0.184(6) 0.256(8) 0.111(6) 0.017(4) 0.011(4)
C59 0.063(4) 0.088(5) 0.130(7) 0.014(5) 0.025(4) -0.007(4)
C60 0.048(4) 0.109(6) 0.125(7) 0.003(5) 0.020(4) 0.003(4)
S3 0.0400(7) 0.0524(7) 0.0739(9) 0.0079(7) 0.0071(6) -0.0037(6)
O3 0.055(2) 0.053(2) 0.084(3) 0.0198(19) 0.019(2) 0.0067(17)
O1 0.064(3) 0.084(3) 0.092(3) 0.025(3) 0.024(2) -0.009(2)
O2 0.093(3) 0.075(3) 0.103(4) -0.009(3) -0.003(3) -0.024(3)
F6 0.111(3) 0.098(3) 0.139(4) 0.049(3) -0.002(3) 0.032(3)
F5 0.074(3) 0.173(5) 0.177(6) 0.028(4) -0.045(3) -0.033(3)
F4 0.102(4) 0.192(6) 0.191(6) 0.017(5) 0.046(4) 0.087(4)
C67 0.048(4) 0.091(5) 0.121(6) 0.016(5) 0.009(4) 0.019(4)
C73 0.069(4) 0.102(5) 0.076(5) 0.009(4) -0.023(4) -0.002(4)
C74 0.058(4) 0.084(5) 0.111(6) 0.002(4) -0.012(4) 0.019(3)
O6 0.057(3) 0.160(6) 0.233(8) 0.069(6) 0.005(4) 0.011(4)
O5 0.161(6) 0.157(6) 0.209(8) -0.118(6) 0.090(6) -0.098(5)
C70 0.054(5) 0.161(9) 0.118(7) -0.003(7) 0.010(4) 0.061(5)
C71 0.062(5) 0.161(10) 0.176(11) -0.006(9) 0.020(6) -0.031(6)
C72 0.082(6) 0.129(8) 0.197(11) 0.032(8) 0.036(6) 0.053(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.365(4) . ?
Ag1 C28 2.482(5) . ?
Ag1 C23 2.495(6) . ?
Ag1 C24 2.524(5) . ?
Ag2 N8 2.300(4) . ?
Ag2 C38 2.478(6) . ?
Ag2 C33 2.481(5) . ?
Ag2 N3 2.494(4) . ?
S1 O6 1.388(6) . ?
S1 O4 1.428(4) . ?
S1 O5 1.457(6) . ?
S1 C45 1.788(10) . ?
N5 C14 1.341(6) . ?
N5 N3 1.361(5) . ?
N5 H5 0.8600 . ?
C3 N4 1.324(6) . ?
C3 C7 1.417(6) . ?
C3 C19 1.457(6) . ?
N4 N1 1.350(5) . ?
N1 C21 1.337(6) . ?
N1 H1 0.8600 . ?
N8 C18 1.338(6) . ?
N8 N2 1.354(5) . ?
C7 C42 1.389(6) . ?
C7 C15 1.440(6) . ?
O7 C47 1.356(6) . ?
O7 C19 1.360(5) . ?
N3 C12 1.325(6) . ?
N2 C17 1.341(6) . ?
N2 H2 0.8600 . ?
O10 C37 1.366(6) . ?
O10 C44 1.371(7) . ?
C12 C25 1.400(7) . ?
C12 C20 1.457(7) . ?
C13 C17 1.369(6) . ?
C13 C39 1.390(7) . ?
C13 C26 1.447(7) . ?
C14 C36 1.382(7) . ?
C14 C34 1.443(8) . ?
C15 C21 1.378(7) . ?
C15 C33 1.413(6) . ?
O8 C20 1.362(7) . ?
O8 C51 1.363(7) . ?
C17 C37 1.449(7) . ?
C18 C26 1.404(6) . ?
C18 C22 1.448(7) . ?
C19 C29 1.341(7) . ?
C20 C59 1.334(8) . ?
C21 C35 1.451(7) . ?
C22 C52 1.326(8) . ?
C22 O11 1.354(6) . ?
C23 C32 1.364(9) . ?
C23 C48 1.394(9) . ?
C23 H23 0.9800 . ?
C24 C28 1.400(7) . ?
C24 C26 1.408(6) 2_556 ?
C24 H24 0.9800 . ?
C25 C48 1.393(7) . ?
C25 C36 1.453(7) . ?
C26 C24 1.408(6) 2_546 ?
C28 C39 1.381(8) 2_556 ?
C28 H28 0.9800 . ?
C29 C43 1.405(8) . ?
C29 H29 0.9300 . ?
O11 C73 1.366(7) . ?
C32 C36 1.400(7) . ?
C32 H32 0.9300 . ?
C33 C38 1.395(8) . ?
C33 H33 0.9800 . ?
C34 C50 1.301(9) . ?
C34 O9 1.339(7) . ?
C35 C55 1.265(8) . ?
C35 O12 1.332(7) . ?
C37 C41 1.357(8) . ?
C38 C42 1.397(7) . ?
C38 H38 0.9800 . ?
C39 C28 1.381(7) 2_546 ?
C39 H39 0.9300 . ?
F2 C45 1.305(8) . ?
C41 C56 1.398(9) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C47 1.320(8) . ?
C43 H43 0.9300 . ?
C44 C56 1.311(10) . ?
C44 H44 0.9300 . ?
C45 F1 1.277(10) . ?
C45 F3 1.349(10) . ?
O9 C72 1.364(10) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
O12 C70 1.411(10) . ?
C50 C57 1.430(11) . ?
C50 H50 0.9300 . ?
C51 C60 1.325(10) . ?
C51 H51 0.9300 . ?
C52 C74 1.435(9) . ?
C52 H52 0.9300 . ?
C55 C71 1.379(12) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C72 1.268(13) . ?
C57 H57 0.9300 . ?
C59 C60 1.396(10) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
S3 O2 1.417(4) . ?
S3 O1 1.424(4) . ?
S3 O3 1.439(4) . ?
S3 C67 1.799(7) . ?
F6 C67 1.308(9) . ?
F5 C67 1.311(9) . ?
F4 C67 1.303(9) . ?
C73 C74 1.283(10) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C70 C71 1.259(13) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
_cod_database_code 4300855