#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/48/2004897.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_2004897
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1161
_journal_page_last     1163
_publ_section_title
;
Chloro(ethanedithioamide-S)bis(triphenylphosphine)silver(I)
;
_chemical_formula_sum     'C38 H34 Ag Cl N2 P2 S2'
_chemical_formula_weight     788.09
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_cell_length_a     9.460(2)
_cell_length_b     19.572(4)
_cell_length_c     20.017(6)
_cell_angle_alpha     90
_cell_angle_beta     92.58(2)
_cell_angle_gamma     90
_cell_volume     3702(2)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.41
_cell_measurement_temperature     300
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_b_iso_or_equiv
Ag .81829(3) .137770(10)
                       .249590(10)
                                 3.540(10)
Cl .94701(9) .25367(5) .26134(6) 5.39(5)
S(1) .55280(10)
              .17027(6) .25805(6) 5.42(5)
S(2) .34240(10)
              .36309(7) .25055(8) 7.77(8)
P(1) .87700(10)
              .07966(5) .35725(4) 3.45(4)
P(2) .86030(10)
              .09027(4) .13860(4) 3.35(4)
N(1) .6239(4) .2994(2) .2682(2) 5.9(2)
N(2) .2780(4) .2351(3) .2724(2) 6.0(2)
C(1) .5246(4) .2534(2) .2635(2) 3.9(2)
C(2) .3747(4) .2816(2) .2626(2) 4.5(2)
C(11) .8037(4) .1198(2) .4309(2) 3.9(2)
C(12) .7697(5) .0838(2) .4866(2) 5.1(2)
C(13) .7141(6) .1169(3) .5407(3) 6.8(3)
C(14) .6917(6) .1849(3) .5388(3) 7.6(3)
C(15) .7244(6) .2222(3) .4834(3) 7.0(3)
C(16) .7798(5) .1899(2) .4289(2) 5.2(2)
C(21) .8231(4) -.0093(2) .3648(2) 3.80(10)
C(22) .6813(5) -.0247(2) .3501(2) 4.9(2)
C(23) .6338(6) -.0919(3) .3539(2) 6.0(3)
C(24) .7249(7)
              -0.1427(3) .3718(2) 6.5(3)
C(25) .8633(7)
              -0.1284(2) .3860(3) 6.2(3)
C(26) .9147(5) -.0619(2) .3830(2) 4.7(2)
C(31) 1.0667(4) .0781(2) .3748(2) 3.50(10)
C(32) 1.1306(4) .0990(2) .4343(2) 4.6(2)
C(33) 1.2768(5) .0986(3) .4440(2) 5.6(2)
C(34) 1.3586(5) .0764(3) .3944(2) 6.0(2)
C(35) 1.2974(5) .0543(3) .3343(2) 5.8(2)
C(36) 1.1525(4) .0560(2) .3246(2) 4.7(2)
C(41) 1.0462(4) .0713(2) .1308(2) 3.70(10)
C(42) 1.1018(5) .0064(2) .1262(2) 5.1(2)
C(43) 1.2463(5) -.0038(3) .1262(2) 6.2(2)
C(44) 1.3361(5) .0502(3) .1299(2) 6.4(3)
C(45) 1.2844(5) .1154(3) .1342(2) 5.8(2)
C(46) 1.1400(4) .1255(2) .1352(2) 4.9(2)
C(51) .7670(4) .0102(2) .1224(2) 3.70(10)
C(52) .7166(4) -.0246(2) .1761(2) 4.4(2)
C(53) .6401(5) -.0842(2) .1679(2) 5.3(2)
C(54) .6107(6)
              -0.1090(2) .1058(2) 6.2(2)
C(55) .6599(8) -.0752(3) .0521(3) 8.7(3)
C(56) .7357(7) -.0158(3) .0597(2) 7.0(3)
C(61) .8127(4) .1412(2) .0648(2) 4.0(2)
C(62) .8943(6) .1450(3) .0091(2) 5.7(2)
C(63) .8453(8) .1833(3) -.0465(3) 7.6(3)
C(64) .7194(8) .2160(3) -.0470(3) 7.4(3)
C(65) .6382(7) .2126(3) .0079(3) 7.2(3)
C(66) .6843(5) .1756(2) .0639(2) 5.3(2)
H(1) .596(6) .342(3) .269(3) 9(2)
H(2) .721(6) .284(3) .270(2) 8.0(10)
H(3) .177(7) .251(3) .268(3) 12(2)
H(4) .283(8) .194(4) .277(4) 14(3)
H(5) .789(4) .035(2) .487(2) 6.0(10)
H(6) .700(5) .090(2) .578(2) 7.0(10)
H(7) .654(6) .202(3) .574(3) 9.0(10)
H(8) .700(6) .268(3) .477(2) 9(2)
H(9) .806(4) .213(2) .394(2) 4.5(9)
H(10) .632(4) .010(2) .335(2) 6.0(10)
H(11) .543(5)
             -0.100(2) .342(2) 6.0(10)
H(12) .681(5)
             -0.185(3) .376(2) 7.0(10)
H(13) .929(5)
             -0.163(3) .398(2) 8.0(10)
H(14) 1.009(4) -.052(2) .391(2) 4.1(8)
H(15) 1.076(4) .114(2) .465(2) 4.3(8)
H(16) 1.312(5) .111(2) .482(2) 7.0(10)
H(17) 1.456(5) .078(2) .401(2) 5.0(10)
H(18) 1.349(5) .041(2) .300(2) 7.0(10)
H(19) 1.110(4) .041(2) .283(2) 6.0(10)
H(20) 1.046(5) -.027(2) .124(2) 6.0(10)
H(21) 1.280(5) -.055(3) .130(2) 8.0(10)
H(22) 1.433(5) .041(2) .132(2) 5.0(10)
H(23) 1.342(5) .152(3) .138(2) 8.0(10)
H(24) 1.107(4) .171(2) .142(2) 6.0(10)
H(25) .732(4) -.005(2) .217(2) 6.0(10)
H(26) .609(6)
             -0.110(3) .207(3) 9.0(10)
H(27) .556(6)
             -0.152(3) .103(3) 9(2)
H(28) .635(6) -.094(3) .011(3) 9.0(10)
H(29) .769(6) .004(3) .028(2) 9(2)
H(30) .981(5) .122(2) .012(2) 7.0(10)
H(31) .916(6) .187(3) -.081(3) 11(2)
H(32) .687(6) .245(3) -.088(3) 9.0(10)
H(33) .562(5) .234(2) .009(2) 7.0(10)
H(34) .641(5) .172(2) .099(2) 6.0(10)
_cod_database_code 2004897