data_2004940
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1384
_journal_page_last     1388
_publ_section_title
;
1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I)
hexafluoroantimonate] Complex
;
_chemical_formula_iupac     '[Ag2 (Sb F6)2 (C52 H46) ] , 2C H2 Cl2'
_chemical_formula_moiety     '(C52 H46 Ag2)2+ 2(Sb F6)- 2(C H2 Cl2)'
_chemical_formula_sum     'C54 H50 Ag2 Cl4 F12 Sb2'
_chemical_formula_weight     1527.98
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M    'P21/n'
_cell_length_a     13.662(5)
_cell_length_b     11.267(5)
_cell_length_c     18.225(7)
_cell_angle_alpha     90.00
_cell_angle_beta     105.83(3)
_cell_angle_gamma     90.00
_cell_volume     2699.0(19)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.880
_cell_measurement_temperature     143(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag 1  .42504(6)  .26849(7)  .65832(4)  .0258(2)
C1 1  .2264(9)  .1772(12)  .4484(6)  .042(3)
H1A 1  .1757(9)  .1125(12)  .4417(6)  .050
H1B 1  .2370(9)  .1941(12)  .3978(6)  .050
C2 1  .1834(9)  .2869(11)  .4759(6)  .041(3)
H2A 1  .2164(9)  .3574(11)  .4607(6)  .050
H2B 1  .1099(9)  .2916(11)  .4493(6)  .050
C3 1  .1957(8)  .2932(9)  .5603(6)  .031(2)
C4 1  .1482(8)  .2173(10)  .5989(6)  .036(2)
C5 1  .1648(8)  .2244(10)  .6775(7)  .035(2)
H5 1  .1299(8)  .1709(10)  .7018(7)  .042
C6 1  .2302(8)  .3063(10)  .7213(6)  .033(2)
C7 1  .2778(7)  .3854(9)  .6836(6)  .027(2)
H7 1  .3222(7)  .4442(9)  .7119(6)  .032
C8 1  .2612(8)  .3795(9)  .6053(6)  .028(2)
H8 1  .2945(8)  .4347(9)  .5809(6)  .034
C9 1  .2467(9)  .3110(13)  .8071(7)  .050(3)
H9A 1  .2173(9)  .2387(13)  .8236(7)  .060
H9B 1  .2098(9)  .3803(13)  .8197(7)  .060
C10 1  .3585(9)  .3200(11)  .8515(6)  .040(3)
H10A 1  .3832(9)  .4009(11)  .8451(6)  .048
H10B 1  .3647(9)  .3083(11)  .9064(6)  .048
C11 1  .4257(8)  .2303(10)  .8265(5)  .030(2)
C12 1  .4056(8)  .1112(9)  .8279(5)  .027(2)
H12 1  .3527(8)  .0845(9)  .8486(5)  .032
C13 1  .4616(8)  .0299(10)  .7996(6)  .031(2)
H13 1  .4467(8)  -.0520(10)  .8024(6)  .038
C14 1  .5387(8)  .0620(10)  .7672(6)  .029(2)
C15 1  .5636(8)  .1844(10)  .7705(5)  .032(2)
H15 1  .6197(8)  .2108(10)  .7534(5)  .038
C16 1  .5063(7)  .2659(9)  .7984(5)  .027(2)
H16 1  .5225(7)  .3479(9)  .7983(5)  .032
C17 1  .5927(9)  -.0258(11)  .7330(6)  .041(3)
H17A 1  .5560(9) -0.1023(11)  .7287(6)  .049
H17B 1  .6614(9)  -.0379(11)  .7680(6)  .049
C18 1  .6042(10)  .0073(12)  .6541(7)  .046(3)
H18A 1  .6557(10)  .0711(12)  .6602(7)  .055
H18B 1  .6298(10)  -.0626(12)  .6321(7)  .055
C19 1  .5078(9)  .0480(10)  .6001(6)  .035(2)
C20 1  .4209(9)  -.0198(11)  .5795(6)  .038(2)
H20 1  .4232(9)  -.0981(11)  .5992(6)  .046
C21 1  .3329(9)  .0196(11)  .5329(6)  .038(2)
H21 1  .2750(9)  -.0310(11)  .5212(6)  .046
C22 1  .3246(9)  .1353(11)  .5007(5)  .037(2)
C23 1  .4098(8)  .2050(10)  .5194(5)  .033(2)
H23 1  .4073(8)  .2825(10)  .4985(5)  .040
C24 1  .5004(8)  .1638(10)  .5689(6)  .031(2)
H24 1  .5581(8)  .2145(10)  .5820(6)  .037
C25 1  .0836(10)  .1255(12)  .5555(7)  .049(3)
C26 1  .0285(11)  .0461(12)  .5213(8)  .056(4)
Sb 1  .58458(6)  .57617(7)  .69089(5)  .0368(2)
F1 1  .5005(6)  .4696(7)  .6237(5)  .066(2)
F2 1  .6693(7)  .6780(8)  .7597(5)  .080(3)
F3 1  .4941(6)  .5657(8)  .7507(5)  .073(3)
F4 1  .5123(6)  .7020(7)  .6381(5)  .068(2)
F5 1  .6725(6)  .5810(8)  .6299(5)  .071(2)
F6 1  .6552(5)  .4465(6)  .7427(5)  .056(2)
C100 1  .3093(14)  .1526(19) 1.0696(11)  .096(6)
H10C 1  .2994(14)  .0896(19) 1.1047(11)  .115
H10D 1  .3270(14)  .2270(19) 1.0992(11)  .115
Cl1 1  .4129(4)  .1112(6) 1.0293(3)  .111(2)
Cl2 1  .1965(3)  .1730(4)  .9970(2)  .0769(12)