#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202471.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_2202471
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m536
_journal_page_last  m537
_publ_section_title
;
\m-1,4-Bis(diphenylphosphino)butane-\k^2^P:P'-bis[(2,2'-bipyridyl)silver(I)]
ditetrafluoroborate
;
_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_
_publ_author_name
  'Li, Zhang'
  'Chunlong, Chen'
  'Qian, Zhang'
  'Huaxin, Zhang'
  'Beisheng, Kang'
_chemical_formula_moiety  'C48 H44 Ag2 N4 P2 2+, 2B F4 1-'
_chemical_formula_sum  'C48 H44 Ag2 B2 F8 N4 P2'
_chemical_formula_iupac  '[Ag2 (C10 H8 N2)2(C28 H28 P2)] (B F4)2'
_chemical_formula_weight  1128.17
_symmetry_cell_setting  Monoclinic
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  10.7951(19)
_cell_length_b  14.402(3)
_cell_length_c  15.118(3)
_cell_angle_alpha  90.00
_cell_angle_beta  95.274(3)
_cell_angle_gamma  90.00
_cell_volume  2340.5(8)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.601
_diffrn_ambient_temperature  293(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 0.61079(2) 0.990655(19) 0.09265(2) 0.0608(2) Uani d . 1 . . Ag
  P1 0.76784(6) 0.87675(5) 0.09391(5) 0.0434(2) Uani d . 1 . . P
  F1 0.8945(7) 1.3463(4) -0.1529(7) 0.271(5) Uani d . 1 . . F
  F2 0.7137(6) 1.2913(4) -0.1594(4) 0.209(3) Uani d . 1 . . F
  F3 0.8502(4) 1.2448(3) -0.0559(3) 0.1494(16) Uani d . 1 . . F
  F4 0.7670(3) 1.3884(2) -0.0523(3) 0.1137(10) Uani d . 1 . . F
  N1 0.5736(3) 1.14397(19) 0.1157(2) 0.0590(7) Uani d . 1 . . N
  N2 0.4056(3) 1.00546(18) 0.1277(3) 0.0599(7) Uani d . 1 . . N
  C1 0.8909(3) 0.8965(2) 0.01984(19) 0.0497(7) Uani d . 1 . . C
  H1A 0.9565 0.8512 0.0330 0.060 Uiso calc R 1 . . H
  H1B 0.8569 0.8871 -0.0411 0.060 Uiso calc R 1 . . H
  C2 0.9463(3) 0.9933(2) 0.0289(2) 0.0497(7) Uani d . 1 . . C
  H2A 0.9760 1.0041 0.0906 0.060 Uiso calc R 1 . . H
  H2B 0.8820 1.0386 0.0122 0.060 Uiso calc R 1 . . H
  C3 0.3808(3) 1.0881(2) 0.16359(19) 0.0509(7) Uani d . 1 . . C
  C4 0.2797(3) 1.0997(3) 0.2125(2) 0.0707(10) Uani d . 1 . . C
  H4 0.2633 1.1574 0.2365 0.085 Uiso calc R 1 . . H
  C5 0.2030(4) 1.0244(4) 0.2255(3) 0.0807(13) Uani d . 1 . . C
  H5 0.1355 1.0311 0.2591 0.097 Uiso calc R 1 . . H
  C6 0.2274(4) 0.9396(4) 0.1882(3) 0.0750(11) Uani d . 1 . . C
  H6 0.1772 0.8882 0.1956 0.090 Uiso calc R 1 . . H
  C7 0.3297(3) 0.9341(3) 0.1394(3) 0.0703(10) Uani d . 1 . . C
  H7 0.3465 0.8775 0.1134 0.084 Uiso calc R 1 . . H
  C8 0.4661(3) 1.1661(2) 0.1480(2) 0.0538(7) Uani d . 1 . . C
  C9 0.4357(4) 1.2575(3) 0.1655(2) 0.0711(10) Uani d . 1 . . C
  H9 0.3594 1.2724 0.1858 0.085 Uiso calc R 1 . . H
  C10 0.5224(5) 1.3265(3) 0.1518(3) 0.0835(12) Uani d . 1 . . C
  H10 0.5058 1.3881 0.1649 0.100 Uiso calc R 1 . . H
  C11 0.6311(5) 1.3032(3) 0.1194(4) 0.0845(13) Uani d . 1 . . C
  H11 0.6892 1.3486 0.1089 0.101 Uiso calc R 1 . . H
  C12 0.6541(4) 1.2119(3) 0.1022(3) 0.0747(10) Uani d . 1 . . C
  H12 0.7291 1.1963 0.0802 0.090 Uiso calc R 1 . . H
  C13 0.7143(3) 0.7586(2) 0.07121(19) 0.0455(6) Uani d . 1 . . C
  C14 0.5961(3) 0.7341(3) 0.0916(2) 0.0536(7) Uani d . 1 . . C
  H14 0.5434 0.7788 0.1120 0.064 Uiso calc R 1 . . H
  C15 0.5562(3) 0.6423(3) 0.0816(3) 0.0677(10) Uani d . 1 . . C
  H15 0.4776 0.6257 0.0966 0.081 Uiso calc R 1 . . H
  C16 0.6323(4) 0.5764(3) 0.0498(3) 0.0713(10) Uani d . 1 . . C
  H16 0.6049 0.5154 0.0426 0.086 Uiso calc R 1 . . H
  C17 0.7478(4) 0.6002(3) 0.0288(3) 0.0762(10) Uani d . 1 . . C
  H17 0.7995 0.5551 0.0077 0.091 Uiso calc R 1 . . H
  C18 0.7895(3) 0.6913(3) 0.0385(3) 0.0657(9) Uani d . 1 . . C
  H18 0.8682 0.7071 0.0230 0.079 Uiso calc R 1 . . H
  C19 0.8547(3) 0.8686(2) 0.20260(19) 0.0482(6) Uani d . 1 . . C
  C20 0.8552(4) 0.9420(3) 0.2627(2) 0.0676(9) Uani d . 1 . . C
  H20 0.8058 0.9938 0.2487 0.081 Uiso calc R 1 . . H
  C21 0.9274(5) 0.9392(4) 0.3422(3) 0.0918(14) Uani d . 1 . . C
  H21 0.9284 0.9897 0.3806 0.110 Uiso calc R 1 . . H
  C22 0.9992(4) 0.8613(4) 0.3660(3) 0.0848(13) Uani d . 1 . . C
  H22 1.0472 0.8588 0.4203 0.102 Uiso calc R 1 . . H
  C23 0.9978(4) 0.7884(4) 0.3078(3) 0.0772(11) Uani d . 1 . . C
  H23 1.0447 0.7357 0.3232 0.093 Uiso calc R 1 . . H
  C24 0.9277(3) 0.7917(3) 0.2262(2) 0.0599(8) Uani d . 1 . . C
  H24 0.9297 0.7420 0.1871 0.072 Uiso calc R 1 . . H
  B1 0.8052(5) 1.3180(4) -0.1036(4) 0.0807(13) Uani d . 1 . . B
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 0.0487(2) 0.0521(2) 0.0826(3) 0.00939(9) 0.01181(14) 0.00601(10)
  P1 0.0362(4) 0.0431(4) 0.0523(4) -0.0011(3) 0.0121(3) 0.0041(3)
  F1 0.245(6) 0.113(4) 0.499(12) 0.041(4) 0.270(8) 0.021(6)
  F2 0.218(5) 0.182(5) 0.206(5) 0.078(4) -0.099(4) -0.093(4)
  F3 0.189(4) 0.110(3) 0.144(3) 0.050(3) -0.009(3) -0.008(2)
  F4 0.111(2) 0.086(2) 0.147(3) 0.0048(16) 0.031(2) -0.0423(18)
  N1 0.0482(14) 0.0483(15) 0.0793(18) -0.0004(11) 0.0006(12) 0.0048(13)
  N2 0.0437(15) 0.0510(15) 0.086(2) 0.0011(10) 0.0102(14) 0.0044(12)
  C1 0.0454(14) 0.0577(18) 0.0477(14) -0.0040(12) 0.0132(11) 0.0055(12)
  C2 0.0433(17) 0.0559(18) 0.0519(16) -0.0048(12) 0.0155(13) 0.0091(12)
  C3 0.0441(15) 0.0604(18) 0.0472(14) 0.0061(13) -0.0015(11) 0.0023(12)
  C4 0.0556(19) 0.097(3) 0.0602(19) 0.0023(19) 0.0105(15) -0.0164(19)
  C5 0.055(2) 0.122(4) 0.067(2) -0.013(2) 0.0178(17) -0.005(2)
  C6 0.0521(19) 0.095(3) 0.077(2) -0.0181(19) 0.0016(17) 0.017(2)
  C7 0.0471(17) 0.059(2) 0.105(3) -0.0043(15) 0.0077(17) 0.0066(19)
  C8 0.0569(17) 0.0523(17) 0.0511(15) 0.0070(13) -0.0012(12) 0.0004(12)
  C9 0.096(3) 0.055(2) 0.063(2) 0.0141(18) 0.0125(18) -0.0021(15)
  C10 0.124(4) 0.047(2) 0.078(3) -0.001(2) 0.001(2) -0.0025(17)
  C11 0.094(3) 0.057(2) 0.100(3) -0.020(2) -0.005(3) 0.011(2)
  C12 0.060(2) 0.062(2) 0.101(3) -0.0096(17) 0.0013(19) 0.013(2)
  C13 0.0405(13) 0.0459(14) 0.0506(14) -0.0030(11) 0.0065(11) 0.0011(11)
  C14 0.0410(15) 0.0550(19) 0.0649(18) -0.0016(12) 0.0045(13) 0.0044(13)
  C15 0.0472(17) 0.067(2) 0.086(2) -0.0204(16) -0.0057(16) 0.0110(18)
  C16 0.077(2) 0.0525(19) 0.082(2) -0.0130(17) -0.0072(19) -0.0021(17)
  C17 0.082(3) 0.052(2) 0.095(3) 0.0042(18) 0.016(2) -0.0147(18)
  C18 0.0576(19) 0.0549(19) 0.088(2) -0.0021(15) 0.0244(17) -0.0110(17)
  C19 0.0440(14) 0.0519(16) 0.0510(15) -0.0051(11) 0.0161(11) 0.0026(12)
  C20 0.077(2) 0.069(2) 0.0588(19) 0.0008(18) 0.0151(16) -0.0069(16)
  C21 0.105(4) 0.111(4) 0.061(2) -0.012(3) 0.018(2) -0.021(2)
  C22 0.075(3) 0.126(4) 0.054(2) -0.001(3) 0.0073(18) 0.009(2)
  C23 0.058(2) 0.102(3) 0.071(2) 0.007(2) 0.0029(17) 0.020(2)
  C24 0.0484(16) 0.067(2) 0.0648(19) 0.0045(14) 0.0058(14) 0.0041(15)
  B1 0.065(3) 0.071(3) 0.107(4) 0.006(2) 0.017(2) -0.017(3)
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 N1 . 2.277(3) yes
  Ag1 N2 . 2.334(3) yes
  Ag1 P1 . 2.3579(8) yes
  P1 C13 . 1.819(3) ?
  P1 C19 . 1.819(3) ?
  P1 C1 . 1.837(3) ?
  F1 B1 . 1.335(7) ?
  F2 B1 . 1.297(7) ?
  F3 B1 . 1.343(7) ?
  F4 B1 . 1.364(6) ?
  N1 C12 . 1.336(5) ?
  N1 C8 . 1.338(4) ?
  N2 C7 . 1.336(5) ?
  N2 C3 . 1.344(4) ?
  C1 C2 . 1.517(4) ?
  C1 H1A . 0.97 ?
  C1 H1B . 0.97 ?
  C2 C2 3_775 1.528(6) ?
  C2 H2A . 0.97 ?
  C2 H2B . 0.97 ?
  C3 C4 . 1.384(5) ?
  C3 C8 . 1.485(5) ?
  C4 C5 . 1.390(7) ?
  C4 H4 . 0.93 ?
  C5 C6 . 1.380(7) ?
  C5 H5 . 0.93 ?
  C6 C7 . 1.385(6) ?
  C6 H6 . 0.93 ?
  C7 H7 . 0.93 ?
  C8 C9 . 1.389(5) ?
  C9 C10 . 1.392(7) ?
  C9 H9 . 0.93 ?
  C10 C11 . 1.355(7) ?
  C10 H10 . 0.93 ?
  C11 C12 . 1.368(7) ?
  C11 H11 . 0.93 ?
  C12 H12 . 0.93 ?
  C13 C14 . 1.386(4) ?
  C13 C18 . 1.385(5) ?
  C14 C15 . 1.395(5) ?
  C14 H14 . 0.93 ?
  C15 C16 . 1.371(6) ?
  C15 H15 . 0.93 ?
  C16 C17 . 1.358(6) ?
  C16 H16 . 0.93 ?
  C17 C18 . 1.391(5) ?
  C17 H17 . 0.93 ?
  C18 H18 . 0.93 ?
  C19 C24 . 1.387(5) ?
  C19 C20 . 1.393(5) ?
  C20 C21 . 1.372(6) ?
  C20 H20 . 0.93 ?
  C21 C22 . 1.392(8) ?
  C21 H21 . 0.93 ?
  C22 C23 . 1.369(7) ?
  C22 H22 . 0.93 ?
  C23 C24 . 1.387(5) ?
  C23 H23 . 0.93 ?
  C24 H24 . 0.93 ?
_cod_database_code 2202471