data_2000738
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1185
_journal_page_last  1188
loop_
_publ_author_name
 'Blackburn, A.C.'
 'Gallucci, J.C.'
 'Gerkin, R.e.'
_chemical_formula_sum  'Al1 Br3 H18 O18'
_chemical_formula_weight  572.84
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  9.536(2)
_cell_length_b  11.095(4)
_cell_length_c  9.291(2)
_cell_angle_alpha  106.58(2)
_cell_angle_beta  100.42(2)
_cell_angle_gamma  113.01(2)
_cell_volume  818.1(4)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  2.33
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  560
_exptl_absorpt_coefficient_mu  7.458
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Br(1) .25063(7) .68200(5) .09851(6)
 Br(2) .99725(6) .62525(5) .68541(6)
 Br(3) .87097(6) .00802(6) .32202(6)
 Al .4331(2) .1805(2) .3003(2)
 O(1) .5216(5) .3008(4) .1989(5)
 O(2) .3494(5) .2974(4) .3949(5)
 O(3) .2412(5) .0751(4) .1270(4)
 O(4) .3488(5) .0558(4) .3984(5)
 O(5) .5165(6) .0635(5) .2002(5)
 O(6) .6213(5) .2862(4) .4749(5)
 O(11) .3171(5) .7848(4) .0000(4)
 O(12) .3404(6) .5836(5) .0753(5)
 O(13) .3398(5) .7976(4) .2873(4)
 O(21) .9704(5) .5198(4) .7823(4)
 O(22) .9352(5) .7386(4) .7688(4)
 O(23) .8566(5) .5282(4) .5073(4)
 O(31) .8148(6) -.1029(4) .4117(5)
 O(32) .8482(6) .1427(5) .4237(5)
 O(33) .7242(6) -.0658(6) .1525(5)
 O(41) .4144(6) .4278(4) .7158(5)
 O(42) .0984(8) .3240(6) .7379(6)
 O(43) .9947(7) .1626(6) .9047(6)
 H(1) .529(8) .378(8) .215(8)
 H(2) .553(9) .275(5) .138(9)
 H(3) .244(8) .297(6) .340(7)
 H(4) .348(7) .329(6) .470(6)
 H(5) .167(7) .008(6) .121(6)
 H(6) .238(8) .079(7) .041(8)
 H(7) .298(7) .065(6) .474(7)
 H(8) .342(7) -.012(6) .374(7)
 H(9) .474(7) -.009(6) .150(6)
 H(10) .619(12) .057(10) .246(10)
 H(11) .726(10) .377(9) .499(9)
 H(12) .621(9) .262(7) .539(8)
 H(13) .328(9) .394(8) .730(8)
 H(14) .503(8) .412(7) .788(7)
 H(15) .032(8) .273(7) .642(8)
 H(16) .068(9) .379(8) .758(8)
 H(17) 1.022(9) .216(8) .855(8)
 H(18) 1.016(11) .192(9) .977(9)