#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202284.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_2202284
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m1013
_journal_page_last  m1014
_publ_section_title
;
Bis[\m-1,3-bis(diphenylphosphino)propane]disilver bis(tetrafluoroborate)
;
loop_
_publ_author_name
  'Smith, Michele L.'
  'Almond, Philip M.'
  'Albrecht-Schmitt, Thomas E.'
  'Hill, William E.'
_chemical_name_common
  'Bis[\m-1,3-bis(diphenylphosphino)propane]disilver bis(tetrafluoroborate)'
_chemical_formula_moiety  'C54 H52 Ag2 P4 2+, 2B F4 1-'
_chemical_formula_sum  'C54 H52 Ag2 B2 F8 P4'
_chemical_formula_iupac  '[Ag2 (C27 H26 P2)2] (B F4)2'
_chemical_formula_weight  1214.20
_symmetry_cell_setting  'triclinic'
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  10.6882(7)
_cell_length_b  11.3911(7)
_cell_length_c  12.9037(8)
_cell_angle_alpha  90.908(2)
_cell_angle_beta  114.075(2)
_cell_angle_gamma  112.741(2)
_cell_volume  1294.46(14)
_cell_formula_units_Z  1
_cell_measurement_temperature  193(2)
_exptl_crystal_density_diffrn  1.558
_diffrn_ambient_temperature  193(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Ag1 0.10140(2) 0.114748(19) 0.200649(17) 0.03275(9) Uani d . 1 . . Ag
  P1 0.35391(7) 0.23940(6) 0.22321(6) 0.02631(14) Uani d . 1 . . P
  P2 -0.13909(7) 0.06654(7) 0.19735(6) 0.02743(14) Uani d . 1 . . P
  C1 0.5034(3) 0.2790(3) 0.3706(2) 0.0304(5) Uani d . 1 . . C
  C2 0.5758(4) 0.4029(3) 0.4400(3) 0.0407(6) Uani d . 1 . . C
  H2A 0.5504 0.4704 0.4097 0.049 Uiso calc R 1 . . H
  C3 0.6854(4) 0.4274(4) 0.5538(3) 0.0512(8) Uani d . 1 . . C
  H3A 0.7343 0.5118 0.6011 0.061 Uiso calc R 1 . . H
  C4 0.7238(4) 0.3297(4) 0.5988(3) 0.0521(9) Uani d . 1 . . C
  H4A 0.7991 0.3473 0.6765 0.063 Uiso calc R 1 . . H
  C5 0.6525(4) 0.2071(4) 0.5305(3) 0.0472(8) Uani d . 1 . . C
  H5A 0.6797 0.1404 0.5610 0.057 Uiso calc R 1 . . H
  C6 0.5406(3) 0.1802(3) 0.4168(3) 0.0377(6) Uani d . 1 . . C
  H6A 0.4897 0.0948 0.3709 0.045 Uiso calc R 1 . . H
  C7 0.3804(3) 0.3931(3) 0.1779(2) 0.0324(5) Uani d . 1 . . C
  C8 0.2674(4) 0.4355(3) 0.1511(3) 0.0454(7) Uani d . 1 . . C
  H8A 0.1766 0.3835 0.1559 0.054 Uiso calc R 1 . . H
  C9 0.2872(6) 0.5543(4) 0.1171(4) 0.0639(11) Uani d . 1 . . C
  H9A 0.2110 0.5844 0.1006 0.077 Uiso calc R 1 . . H
  C10 0.4169(6) 0.6277(4) 0.1076(4) 0.0678(13) Uani d . 1 . . C
  H10A 0.4295 0.7081 0.0834 0.081 Uiso calc R 1 . . H
  C11 0.5286(5) 0.5860(4) 0.1327(4) 0.0683(12) Uani d . 1 . . C
  H11A 0.6181 0.6376 0.1260 0.082 Uiso calc R 1 . . H
  C12 0.5111(4) 0.4687(3) 0.1680(3) 0.0500(8) Uani d . 1 . . C
  H12A 0.5886 0.4400 0.1853 0.060 Uiso calc R 1 . . H
  C13 -0.1947(3) -0.0395(3) 0.2889(3) 0.0368(6) Uani d . 1 . . C
  C14 -0.1077(4) -0.1018(3) 0.3478(3) 0.0517(8) Uani d . 1 . . C
  H14A -0.0176 -0.0882 0.3419 0.062 Uiso calc R 1 . . H
  C15 -0.1547(7) -0.1865(4) 0.4174(4) 0.0820(17) Uani d . 1 . . C
  H15A -0.0969 -0.2312 0.4579 0.098 Uiso calc R 1 . . H
  C16 -0.2852(8) -0.2036(5) 0.4259(5) 0.095(2) Uani d . 1 . . C
  H16A -0.3156 -0.2589 0.4739 0.114 Uiso calc R 1 . . H
  C17 -0.3712(7) -0.1419(5) 0.3659(5) 0.0861(19) Uani d . 1 . . C
  H17A -0.4606 -0.1547 0.3727 0.103 Uiso calc R 1 . . H
  C18 -0.3295(5) -0.0619(4) 0.2963(4) 0.0584(10) Uani d . 1 . . C
  H18A -0.3915 -0.0217 0.2530 0.070 Uiso calc R 1 . . H
  C19 -0.1423(3) 0.2192(3) 0.2368(2) 0.0309(5) Uani d . 1 . . C
  C20 -0.1473(3) 0.2540(3) 0.3382(3) 0.0367(6) Uani d . 1 . . C
  H20A -0.1588 0.1936 0.3874 0.044 Uiso calc R 1 . . H
  C21 -0.1356(4) 0.3776(3) 0.3680(3) 0.0444(7) Uani d . 1 . . C
  H21A -0.1392 0.4012 0.4373 0.053 Uiso calc R 1 . . H
  C22 -0.1187(4) 0.4651(3) 0.2971(3) 0.0483(8) Uani d . 1 . . C
  H22A -0.1089 0.5496 0.3185 0.058 Uiso calc R 1 . . H
  C23 -0.1159(4) 0.4313(3) 0.1951(3) 0.0465(7) Uani d . 1 . . C
  H23A -0.1059 0.4916 0.1457 0.056 Uiso calc R 1 . . H
  C24 -0.1276(4) 0.3086(3) 0.1652(3) 0.0391(6) Uani d . 1 . . C
  H24A -0.1256 0.2853 0.0951 0.047 Uiso calc R 1 . . H
  C25 0.4083(3) 0.1555(3) 0.1389(2) 0.0309(5) Uani d . 1 . . C
  H25A 0.5109 0.2132 0.1485 0.037 Uiso calc R 1 . . H
  H25B 0.4120 0.0766 0.1684 0.037 Uiso calc R 1 . . H
  C26 0.2950(3) 0.1168(3) 0.0099(2) 0.0309(5) Uani d . 1 . . C
  H26A 0.1913 0.0910 0.0020 0.037 Uiso calc R 1 . . H
  H26B 0.3197 0.1927 -0.0269 0.037 Uiso calc R 1 . . H
  C27 0.2992(3) 0.0044(3) -0.0522(2) 0.0332(5) Uani d . 1 . . C
  H27A 0.2971 -0.0638 -0.0055 0.040 Uiso calc R 1 . . H
  H27B 0.3954 0.0360 -0.0588 0.040 Uiso calc R 1 . . H
  B1 0.1140(6) -0.1745(4) 0.1470(4) 0.0499(9) Uani d . 1 . . B
  F1 0.1749(5) -0.0923(4) 0.2478(3) 0.1059(13) Uani d . 1 . . F
  F2 0.0530(3) -0.1148(2) 0.0584(2) 0.0587(6) Uani d . 1 . . F
  F3 0.0292(7) -0.2880(4) 0.1389(6) 0.252(5) Uani d . 1 . . F
  F4 0.2450(7) -0.1726(6) 0.1475(5) 0.166(2) Uani d . 1 . . F
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ag1 0.02508(12) 0.03744(13) 0.03715(13) 0.01324(9) 0.01552(9) 0.00562(9)
  P1 0.0229(3) 0.0288(3) 0.0267(3) 0.0117(2) 0.0102(2) 0.0037(2)
  P2 0.0249(3) 0.0317(3) 0.0278(3) 0.0128(2) 0.0133(2) 0.0031(2)
  C1 0.0254(11) 0.0394(14) 0.0261(11) 0.0133(10) 0.0120(10) 0.0040(10)
  C2 0.0372(15) 0.0458(16) 0.0343(14) 0.0173(13) 0.0127(12) -0.0009(12)
  C3 0.0431(17) 0.063(2) 0.0314(15) 0.0133(16) 0.0119(13) -0.0060(14)
  C4 0.0342(15) 0.080(3) 0.0284(14) 0.0156(16) 0.0104(12) 0.0119(15)
  C5 0.0389(16) 0.068(2) 0.0381(16) 0.0249(16) 0.0180(13) 0.0232(15)
  C6 0.0340(14) 0.0455(16) 0.0332(14) 0.0160(12) 0.0158(12) 0.0117(12)
  C7 0.0357(13) 0.0291(12) 0.0279(12) 0.0139(11) 0.0103(10) 0.0033(10)
  C8 0.0535(19) 0.0465(17) 0.0433(16) 0.0314(15) 0.0189(15) 0.0099(13)
  C9 0.088(3) 0.053(2) 0.057(2) 0.050(2) 0.020(2) 0.0163(17)
  C10 0.096(3) 0.0326(16) 0.051(2) 0.0238(19) 0.014(2) 0.0129(15)
  C11 0.067(3) 0.0404(19) 0.068(3) 0.0040(18) 0.022(2) 0.0210(18)
  C12 0.0435(17) 0.0409(16) 0.058(2) 0.0130(14) 0.0208(16) 0.0174(15)
  C13 0.0397(15) 0.0320(13) 0.0349(14) 0.0072(11) 0.0212(12) 0.0008(11)
  C14 0.053(2) 0.0430(17) 0.0373(16) 0.0126(15) 0.0086(14) 0.0087(13)
  C15 0.109(4) 0.050(2) 0.042(2) 0.014(2) 0.012(2) 0.0122(17)
  C16 0.130(5) 0.060(3) 0.066(3) -0.011(3) 0.067(3) 0.003(2)
  C17 0.112(4) 0.058(3) 0.104(4) 0.008(3) 0.090(4) 0.007(3)
  C18 0.060(2) 0.0462(18) 0.075(3) 0.0088(16) 0.049(2) 0.0008(17)
  C19 0.0242(11) 0.0321(12) 0.0339(13) 0.0112(10) 0.0118(10) -0.0007(10)
  C20 0.0310(13) 0.0391(14) 0.0379(14) 0.0114(11) 0.0173(11) -0.0015(11)
  C21 0.0338(14) 0.0419(16) 0.0499(18) 0.0104(12) 0.0184(13) -0.0130(13)
  C22 0.0347(15) 0.0367(15) 0.061(2) 0.0134(12) 0.0127(14) -0.0094(14)
  C23 0.0443(17) 0.0346(15) 0.0516(18) 0.0174(13) 0.0131(15) 0.0042(13)
  C24 0.0399(15) 0.0359(14) 0.0381(15) 0.0157(12) 0.0151(12) 0.0035(11)
  C25 0.0259(12) 0.0353(13) 0.0298(12) 0.0149(10) 0.0097(10) 0.0013(10)
  C26 0.0334(13) 0.0309(12) 0.0283(12) 0.0157(10) 0.0122(10) 0.0032(10)
  C27 0.0292(12) 0.0395(14) 0.0304(12) 0.0186(11) 0.0096(10) -0.0016(10)
  B1 0.074(3) 0.0365(17) 0.048(2) 0.0315(18) 0.0277(19) 0.0182(15)
  F1 0.168(4) 0.101(2) 0.0592(17) 0.089(3) 0.030(2) 0.0238(16)
  F2 0.0620(13) 0.0576(12) 0.0557(12) 0.0302(11) 0.0210(10) 0.0273(10)
  F3 0.183(5) 0.084(3) 0.214(6) -0.047(3) -0.064(4) 0.092(3)
  F4 0.243(6) 0.239(6) 0.205(5) 0.215(6) 0.162(5) 0.159(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ag1 P2 . 2.3935(7) yes
  Ag1 P1 . 2.4016(7) yes
  P1 C7 . 1.809(3) no
  P1 C1 . 1.820(3) no
  P1 C25 . 1.829(3) no
  P2 C13 . 1.809(3) no
  P2 C19 . 1.821(3) no
  P2 C27 2 1.832(3) no
  C1 C2 . 1.394(4) no
  C1 C6 . 1.397(4) no
  C2 C3 . 1.392(4) no
  C2 H2A . 0.9500 no
  C3 C4 . 1.387(6) no
  C3 H3A . 0.9500 no
  C4 C5 . 1.378(6) no
  C4 H4A . 0.9500 no
  C5 C6 . 1.396(4) no
  C5 H5A . 0.9500 no
  C6 H6A . 0.9500 no
  C7 C12 . 1.389(5) no
  C7 C8 . 1.389(4) no
  C8 C9 . 1.393(5) no
  C8 H8A . 0.9500 no
  C9 C10 . 1.372(7) no
  C9 H9A . 0.9500 no
  C10 C11 . 1.373(7) no
  C10 H10A . 0.9500 no
  C11 C12 . 1.386(5) no
  C11 H11A . 0.9500 no
  C12 H12A . 0.9500 no
  C13 C14 . 1.377(5) no
  C13 C18 . 1.406(5) no
  C14 C15 . 1.418(6) no
  C14 H14A . 0.9500 no
  C15 C16 . 1.382(9) no
  C15 H15A . 0.9500 no
  C16 C17 . 1.370(10) no
  C16 H16A . 0.9500 no
  C17 C18 . 1.369(6) no
  C17 H17A . 0.9500 no
  C18 H18A . 0.9500 no
  C19 C20 . 1.389(4) no
  C19 C24 . 1.393(4) no
  C20 C21 . 1.398(4) no
  C20 H20A . 0.9500 no
  C21 C22 . 1.373(5) no
  C21 H21A . 0.9500 no
  C22 C23 . 1.382(5) no
  C22 H22A . 0.9500 no
  C23 C24 . 1.387(4) no
  C23 H23A . 0.9500 no
  C24 H24A . 0.9500 no
  C25 C26 . 1.533(4) no
  C25 H25A . 0.9900 no
  C25 H25B . 0.9900 no
  C26 C27 . 1.526(4) no
  C26 H26A . 0.9900 no
  C26 H26B . 0.9900 no
  C27 P2 2 1.832(3) no
  C27 H27A . 0.9900 no
  C27 H27B . 0.9900 no
  B1 F3 . 1.231(5) no
  B1 F1 . 1.339(5) no
  B1 F4 . 1.389(7) no
  B1 F2 . 1.397(4) no
_cod_database_code 2202284