#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061979.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_4061979
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C30 H32 F6 O10 P2 S2 Sn2'
_chemical_formula_weight         1030.00
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.6310(10)
_cell_angle_beta                 81.2300(10)
_cell_angle_gamma                80.1600(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7613(6)
_cell_length_b                   12.5211(7)
_cell_length_c                   15.5313(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1984.13(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.724
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4061979
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3138(5) 1.2338(5) 0.0660(4) 0.0802(15) Uani 1 1 d . . .
C2 C -0.5844(6) 0.6731(5) 0.1760(5) 0.0885(17) Uani 1 1 d . . .
C65 C 0.0219(4) 0.5981(3) 0.2864(3) 0.0594(10) Uani 1 1 d . . .
H15 H 0.0732 0.6179 0.3214 0.071 Uiso 1 1 calc R . .
C20 C -0.2128(4) 1.2485(3) 0.1572(3) 0.0489(9) Uani 1 1 d . . .
C25 C -0.3275(5) 1.3168(4) 0.1432(4) 0.0700(12) Uani 1 1 d . . .
H21 H -0.3973 1.3085 0.1864 0.084 Uiso 1 1 calc R . .
C21 C -0.1111(5) 1.2637(4) 0.0916(3) 0.0711(13) Uani 1 1 d . . .
H20 H -0.0333 1.2197 0.1007 0.085 Uiso 1 1 calc R . .
C22 C -0.1231(7) 1.3434(5) 0.0125(4) 0.0991(19) Uani 1 1 d . . .
H24 H -0.0544 1.3512 -0.0318 0.119 Uiso 1 1 calc R . .
C23 C -0.2345(8) 1.4094(5) -0.0002(4) 0.0931(19) Uani 1 1 d . . .
H23 H -0.2419 1.4635 -0.0531 0.112 Uiso 1 1 calc R . .
C24 C -0.3368(6) 1.3979(5) 0.0636(4) 0.0850(16) Uani 1 1 d . . .
H22 H -0.4130 1.4444 0.0540 0.102 Uiso 1 1 calc R . .
C30 C 0.1272(4) 0.9670(4) 0.3799(3) 0.0580(10) Uani 1 1 d . . .
H41A H 0.0518 0.9871 0.4175 0.087 Uiso 1 1 calc R . .
H41B H 0.1796 1.0252 0.3661 0.087 Uiso 1 1 calc R . .
H41C H 0.1732 0.8991 0.4104 0.087 Uiso 1 1 calc R . .
C40 C 0.0860(6) 0.9117(5) 0.1344(4) 0.0856(16) Uani 1 1 d . . .
H40A H 0.1522 0.8512 0.1282 0.128 Uiso 1 1 calc R . .
H40B H 0.1035 0.9769 0.0893 0.128 Uiso 1 1 calc R . .
H40C H 0.0062 0.8920 0.1277 0.128 Uiso 1 1 calc R . .
C54 C -0.3483(6) 0.5982(5) 0.5422(5) 0.105(2) Uani 1 1 d . . .
H12 H -0.3888 0.5351 0.5573 0.126 Uiso 1 1 calc R . .
C60 C -0.0974(3) 0.6588(3) 0.2731(3) 0.0466(8) Uani 1 1 d . . .
C61 C -0.1712(4) 0.6274(4) 0.2211(3) 0.0647(12) Uani 1 1 d . . .
H14 H -0.2513 0.6669 0.2120 0.078 Uiso 1 1 calc R . .
C62 C -0.1280(5) 0.5389(4) 0.1826(4) 0.0794(15) Uani 1 1 d . . .
H18 H -0.1781 0.5193 0.1468 0.095 Uiso 1 1 calc R . .
C63 C -0.0111(5) 0.4790(4) 0.1968(4) 0.0743(14) Uani 1 1 d . . .
H17 H 0.0171 0.4179 0.1715 0.089 Uiso 1 1 calc R . .
C64 C 0.0640(5) 0.5081(4) 0.2475(4) 0.0714(13) Uani 1 1 d . . .
H16 H 0.1438 0.4675 0.2561 0.086 Uiso 1 1 calc R . .
C70 C -0.5078(4) 0.9426(4) 0.3766(3) 0.0608(11) Uani 1 1 d . . .
H43A H -0.5843 0.9949 0.3769 0.091 Uiso 1 1 calc R . .
H43B H -0.4566 0.9516 0.4192 0.091 Uiso 1 1 calc R . .
H43C H -0.5290 0.8682 0.3925 0.091 Uiso 1 1 calc R . .
C80 C -0.3633(5) 1.0151(4) 0.1105(3) 0.0711(13) Uani 1 1 d . . .
H42A H -0.2729 1.0041 0.0954 0.107 Uiso 1 1 calc R . .
H42B H -0.3958 1.0919 0.0887 0.107 Uiso 1 1 calc R . .
H42C H -0.4013 0.9694 0.0835 0.107 Uiso 1 1 calc R . .
O1 O -0.0714(3) 1.0731(2) 0.2450(2) 0.0622(8) Uani 1 1 d . . .
O2 O -0.0424(3) 0.8290(2) 0.3328(2) 0.0593(7) Uani 1 1 d . . .
O3 O -0.2501(3) 0.8503(2) 0.2662(2) 0.0597(7) Uani 1 1 d . . .
O4 O -0.3121(3) 1.0858(2) 0.2831(2) 0.0593(7) Uani 1 1 d . . .
O5 O 0.2145(5) 1.0797(4) 0.1775(3) 0.1252(18) Uani 1 1 d . . .
O6 O 0.2074(4) 1.2508(4) 0.2201(3) 0.1219(18) Uani 1 1 d . . .
O7 O 0.4030(3) 1.1282(3) 0.2127(2) 0.0815(10) Uani 1 1 d . . .
O8 O -0.5164(4) 0.8329(4) 0.2195(3) 0.1042(14) Uani 1 1 d . . .
O9 O -0.5467(4) 0.6665(4) 0.3331(3) 0.0886(13) Uani 0.85 1 d P A 1
O10 O -0.7262(4) 0.7907(4) 0.2758(3) 0.0928(12) Uani 1 1 d . . .
F1 F 0.2114(4) 1.2789(4) 0.0303(3) 0.1431(18) Uani 1 1 d . . .
F2 F 0.3781(4) 1.1639(4) 0.0196(3) 0.1457(18) Uani 1 1 d . . .
F3 F 0.3831(5) 1.3113(4) 0.0562(3) 0.156(2) Uani 1 1 d . . .
F4 F -0.6269(4) 0.7428(5) 0.1008(3) 0.1298(16) Uani 1 1 d . A .
F5 F -0.6528(5) 0.5914(4) 0.2023(4) 0.1483(19) Uani 1 1 d . . .
F6 F -0.4674(4) 0.6319(4) 0.1537(3) 0.1246(14) Uani 1 1 d . . .
S1 S 0.28141(10) 1.16762(10) 0.18183(7) 0.0593(3) Uani 1 1 d . . .
S2 S -0.59658(12) 0.74816(11) 0.26200(9) 0.0520(3) Uani 0.85 1 d P A 1
S2' S -0.6053(9) 0.7900(8) 0.2035(7) 0.071(2) Uiso 0.15 1 d P A -1
O9' O -0.618(4) 0.842(4) 0.120(3) 0.153(13) Uiso 0.15 1 d P A -1
C10 C -0.1949(3) 1.2132(3) 0.3471(3) 0.0451(8) Uani 1 1 d . . .
C11 C -0.3045(4) 1.2345(4) 0.4031(3) 0.0620(11) Uani 1 1 d . . .
H2 H -0.3789 1.2109 0.3960 0.074 Uiso 1 1 calc R . .
C12 C -0.3049(5) 1.2903(5) 0.4691(3) 0.0770(14) Uani 1 1 d . . .
H3 H -0.3791 1.3042 0.5064 0.092 Uiso 1 1 calc R . .
C13 C -0.1956(6) 1.3251(4) 0.4796(3) 0.0750(14) Uani 1 1 d . . .
H4 H -0.1960 1.3624 0.5245 0.090 Uiso 1 1 calc R . .
C14 C -0.0861(5) 1.3061(4) 0.4251(3) 0.0683(12) Uani 1 1 d . . .
H5 H -0.0125 1.3306 0.4327 0.082 Uiso 1 1 calc R . .
C15 C -0.0854(4) 1.2498(3) 0.3583(3) 0.0570(10) Uani 1 1 d . . .
H6 H -0.0110 1.2366 0.3210 0.068 Uiso 1 1 calc R . .
C50 C -0.2279(4) 0.7259(3) 0.4342(3) 0.0526(9) Uani 1 1 d . . .
C51 C -0.2306(5) 0.7859(5) 0.4980(4) 0.0804(15) Uani 1 1 d . . .
H8 H -0.1890 0.8484 0.4838 0.097 Uiso 1 1 calc R . .
C52 C -0.2931(7) 0.7551(7) 0.5815(4) 0.100(2) Uani 1 1 d . . .
H9 H -0.2984 0.7987 0.6228 0.120 Uiso 1 1 calc R . .
C53 C -0.3481(6) 0.6597(7) 0.6042(4) 0.103(2) Uani 1 1 d . . .
H10 H -0.3858 0.6361 0.6624 0.124 Uiso 1 1 calc R . .
C55 C -0.2875(5) 0.6318(4) 0.4570(4) 0.0795(15) Uani 1 1 d . . .
H11 H -0.2866 0.5905 0.4146 0.095 Uiso 1 1 calc R . .
P1 P -0.19638(9) 1.14555(8) 0.25879(7) 0.0443(2) Uani 1 1 d . . .
P2 P -0.15357(9) 0.77447(8) 0.32337(7) 0.0457(2) Uani 1 1 d . . .
Sn1 Sn 0.07718(2) 0.94444(2) 0.261387(18) 0.04561(9) Uani 1 1 d . . .
Sn2 Sn -0.40653(2) 0.97137(2) 0.248663(17) 0.04260(9) Uani 1 1 d . A .
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
C1 F1 1.287(6) . ?
C1 F3 1.288(7) . ?
C1 F2 1.311(7) . ?
C1 S1 1.793(5) . ?
C2 F6 1.305(6) . ?
C2 F5 1.309(7) . ?
C2 F4 1.363(8) . ?
C2 S2' 1.595(11) . ?
C2 S2 1.792(6) . ?
C65 C60 1.393(5) . ?
C65 C64 1.386(6) . ?
C20 C21 1.381(6) . ?
C20 C25 1.389(6) . ?
C20 P1 1.783(4) . ?
C25 C24 1.397(7) . ?
C21 C22 1.385(7) . ?
C22 C23 1.346(9) . ?
C23 C24 1.366(9) . ?
C30 Sn1 2.090(4) . ?
C40 Sn1 2.097(5) . ?
C54 C53 1.375(10) . ?
C54 C55 1.382(8) . ?
C60 C61 1.377(6) . ?
C60 P2 1.786(4) . ?
C61 C62 1.368(6) . ?
C62 C63 1.369(7) . ?
C63 C64 1.357(7) . ?
C70 Sn2 2.094(4) . ?
C80 Sn2 2.079(4) . ?
O1 P1 1.506(3) . ?
O1 Sn1 2.063(3) . ?
O2 P2 1.517(3) . ?
O2 Sn1 2.093(3) . ?
O3 P2 1.515(3) . ?
O3 Sn2 2.066(3) . ?
O4 P1 1.512(3) . ?
O4 Sn2 2.102(3) . ?
O5 S1 1.434(4) . ?
O5 Sn1 2.433(4) . ?
O6 S1 1.397(4) . ?
O7 S1 1.427(3) . ?
O8 S2' 1.257(10) . ?
O8 S2 1.448(4) . ?
O8 Sn2 2.421(3) . ?
O9 S2 1.409(4) . ?
O10 S2 1.409(4) . ?
O10 S2' 1.584(10) . ?
F4 O9' 1.36(4) . ?
F4 S2' 1.891(11) . ?
S2 S2' 0.940(10) . ?
S2' O9' 1.31(4) . ?
C10 C11 1.383(6) . ?
C10 C15 1.384(5) . ?
C10 P1 1.785(4) . ?
C11 C12 1.375(7) . ?
C12 C13 1.366(7) . ?
C13 C14 1.364(7) . ?
C14 C15 1.391(6) . ?
C50 C55 1.381(6) . ?
C50 C51 1.379(6) . ?
C50 P2 1.789(4) . ?
C51 C52 1.363(8) . ?
C52 C53 1.367(10) . ?
