data_2004972
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1342
_journal_page_last     1344
_publ_section_title
;
4,9-Diazonia-1,12-dodecanediammonium Dilithium cyclo-Hexaphosphate
Tetrahydrate
;
_chemical_formula_moiety
    '[N H3 (C H2)3 N H (C H2)4 N H (C H2)3 N H3] Li2 P6 O18, 4H2 O'
_chemical_formula_sum     'C10 H38 Li2 N4 O22 P6'
_chemical_formula_structural
  '[N H3 (C H2)3 N H (C H2)4 N H (C H2)3 N H3] Li2 P6 O18, 4H2 O'
_chemical_formula_weight     766.14
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
_symmetry_space_group_name_H-M     'C 2/c'
_cell_length_a     21.040(2)
_cell_length_b     7.936(2)
_cell_length_c     20.444(2)
_cell_angle_alpha     90.00
_cell_angle_beta     116.440(10)
_cell_angle_gamma     90.00
_cell_volume     3056.5(9)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.665
_exptl_crystal_density_meas     1.556
_cell_measurement_temperature     293(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
P1 1  .48409(3)  .28137(7)  .10477(3)  .0138(2)
P2 1  .61289(3)  .42963(8)  .21920(3)  .0178(2)
P3 1  .61333(3)  .20929(7)  .33528(3)  .0149(2)
OE11 1  .47648(9)  .1601(2)  .04704(9)  .0232(4)
OE12 1  .44990(8)  .4480(2)  .08348(9)  .0213(4)
OL12 1  .56790(8)  .2991(2)  .15616(8)  .0189(4)
OE21 1  .58180(10)  .6015(2)  .19861(9)  .0259(4)
OL23 1  .59718(10)  .3747(2)  .28574(9)  .0242(4)
OE31 1  .67032(9)  .2476(2)  .40913(9)  .0248(4)
OL13 1  .46042(8)  .1901(2)  .16077(9)  .0201(4)
OE32 1  .62183(10)  .0605(2)  .29646(9)  .0261(4)
OE22 1  .68779(9)  .4032(3)  .23641(10)  .0382(5)
OW1 1  .45975(12) -0.1806(3)  .04590(12)  .0322(5)
Li 1  .4779(2)  .6640(5)  .1245(2)  .0268(9)
OW2 1  .4251(2)  .7501(3)  .17312(14)  .0499(7)
N1 1  .29925(11)  .4123(2)  -.04206(11)  .0173(4)
N2 1  .83232(12)  .3887(3)  .29243(12)  .0232(5)
C1 1  .74459(15)  .6547(3)  .49889(15)  .0268(6)
C2 1  .29172(14)  .5997(3)  -.04469(15)  .0239(5)
C3 1  .33105(13)  .3406(3)  -.08812(13)  .0212(5)
C4 1  .32200(13)  .1502(3)  -.09139(13)  .0206(5)
C5 1  .64090(14)  -.0586(3)  .12983(15)  .0268(6)
H1C3 1  .3841(16)  .382(4)    -.0652(16)  .037(8)
H1C4 1  .3412(15)  .110(4)    -.0440(17)  .031(8)
H1N2 1  .7836(18)  .382(4)    .2676(17)  .041(9)
H1C1 1  .7909(18)  .605(4)    .5188(17)  .043(9)
H2C1 1  .7172(16)  .610(4)    .4493(17)  .039(8)
H1C5 1  .5892(16)  -.081(4)    .1050(15)  .029(7)
H2C4 1  .2706(14)  .121(3)   -0.1151(13)  .016(6)
H1W1 1  .4753(18) -0.195(4)    .0222(19)  .032(10)
H2N2 1  .8443(18)  .291(4)    .2872(17)  .036(9)
H2C3 1  .3040(15)  .402(4)   -0.1352(16)  .031(7)
H2C2 1  .339(2)    .658(5)    -.0282(19)  .056(10)
H1N1 1  .3292(19)  .380(5)    .004(2)    .052(10)
H2N1 1  .2565(19)  .363(4)    -.0567(18)  .044(9)
H2C5 1  .6532(17)  .056(4)    .1310(18)  .043(9)
H2W1 1  .456(2)    -.072(6)    .047(2)    .067(13)
H1W2 1  .419(2)    .854(6)    .177(2)    .083(15)
H2W2 1  .420(2)    .703(5)    .210(3)    .070(13)
H1C2 1  .2665(15)  .633(4)    -.0969(17)  .035(8)
H3N2 1  .8435(14)  .450(4)    .2623(15)  .023(7)